smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC2(CC1)OC(=O)N(CC(N)=O)C2=O	ZINC000000011060	173003444	/nfs/dbraw/zinc/00/34/44/173003444.db2.gz	XUGJRRKIWFPXGG-UHFFFAOYSA-N	1	0	241.247	-1.085	1	0		BAAFRO
O[C@@H]1C[N@H+]2CCC[C@H](O)[C@H]2[C@@H](O)[C@@H]1O	ZINC000003593056	183236152	/nfs/dbraw/zinc/23/61/52/183236152.db2.gz	QTBDZCJQYXPZJL-KVEIKIFDSA-N	1	0	203.238	-2.092	1	0		BAAFRO
NC(=[NH2+])NC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O	ZINC000004096367	560193935	/nfs/dbraw/zinc/19/39/35/560193935.db2.gz	LXQDZCCPYLOHOJ-UYSNGIAKSA-N	1	0	221.213	-4.344	1	0	in-vitro	BAAFRO
NC(=[NH2+])N[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C(=O)[C@H]1O	ZINC000004096496	560194178	/nfs/dbraw/zinc/19/41/78/560194178.db2.gz	MMPAYJAQJWVMJV-LVBGKUAWSA-N	1	0	219.197	-4.136	1	0	in-vitro	BAAFRO
[NH3+]CC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	ZINC000004134453	181406665	/nfs/dbraw/zinc/40/66/65/181406665.db2.gz	BNFUZESWWRCHFC-BZCSJUTBSA-N	1	0	207.226	-2.822	1	0		BAAFRO
O[C@@H]1C[N@H+]2CCC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O	ZINC000005600278	183235203	/nfs/dbraw/zinc/23/52/03/183235203.db2.gz	QTBDZCJQYXPZJL-XDQCBXAXSA-N	1	0	203.238	-2.092	1	0		BAAFRO
O[C@@H]1CCC[N@@H+]2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]12	ZINC000005600419	183209212	/nfs/dbraw/zinc/20/92/12/183209212.db2.gz	QTBDZCJQYXPZJL-JGKVKWKGSA-N	1	0	203.238	-2.092	1	0		BAAFRO
CN[C@@H]1C(O)[C@H]([NH2+]C)[C@@H](O)C(O)[C@H]1O	ZINC000005996518	560204184	/nfs/dbraw/zinc/20/41/84/560204184.db2.gz	QRJMLIPXTTYRMQ-YWVWVNHFSA-N	1	0	206.242	-3.380	1	0	in-vitro	BAAFRO
C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1[NH2+]CCS1	ZINC000013116410	177007605	/nfs/dbraw/zinc/00/76/05/177007605.db2.gz	WUTYHHGXIMYRKB-SLBCVNJHSA-N	1	0	223.294	-1.888	1	0		BAAFRO
CCCC[C@H]1[NH2+][C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000013380492	169015103	/nfs/dbraw/zinc/01/51/03/169015103.db2.gz	ZSNFEMNRWFDMNU-ZOZBQHSOSA-N	1	0	219.281	-1.408	1	0		BAAFRO
[NH3+][C@@H](CCC(=O)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000013514842	571702774	/nfs/dbraw/zinc/70/27/74/571702774.db2.gz	FSGFZJVYAZKWHO-BQBZGAKWSA-N	1	0	243.263	-1.427	1	0	endogenous,in-man	BAAFRO
Nc1ccc([C@@H]2[NH2+][C@H](CO)[C@@H](O)[C@H]2O)cc1N	ZINC000013545990	560219591	/nfs/dbraw/zinc/21/95/91/560219591.db2.gz	YAYMFJWCRXEXGZ-YTWAJWBKSA-N	1	0	239.275	-1.422	1	0	in-vitro	BAAFRO
OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1[NH2+]CCS1	ZINC000013614919	183145659	/nfs/dbraw/zinc/14/56/59/183145659.db2.gz	RCHUVONGFCEQNK-SLBCVNJHSA-N	1	0	239.293	-2.915	1	0		BAAFRO
O[C@@H]1C[N@@H+]2[C@H]([C@@H]1O)[C@H](O)[C@H](O)C[C@H]2O	ZINC000014616443	183249740	/nfs/dbraw/zinc/24/97/40/183249740.db2.gz	HHLGVTQXFOVXKK-CVBHLRHXSA-N	1	0	205.210	-3.164	1	0	in-vivo	BAAFRO
O[C@@H]1C[N@@H+]2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2[C@@H]1O	ZINC000014616448	183245959	/nfs/dbraw/zinc/24/59/59/183245959.db2.gz	KSWHMQGAWBUNLD-XAZAIFFQSA-N	1	0	205.210	-3.511	1	0	in-vivo	BAAFRO
CCCC[C@@H]1[NH2+][C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000014917025	168977316	/nfs/dbraw/zinc/97/73/16/168977316.db2.gz	ZSNFEMNRWFDMNU-CHHOWFRJSA-N	1	0	219.281	-1.408	1	0		BAAFRO
Cc1nc(N)c(N2CCN(C[NH3+])CC2)c(=O)[nH]1	ZINC000019327939	132324565	/nfs/dbraw/zinc/32/45/65/132324565.db2.gz	RZKWDPGBCLTDDG-UHFFFAOYSA-N	1	0	238.295	-1.301	1	0		BAAFRO
[NH3+]CCCC(=O)NCC[NH2+]CC(=O)[O-]	ZINC000026152733	181372657	/nfs/dbraw/zinc/37/26/57/181372657.db2.gz	MVPBFQLWOJPDRK-UHFFFAOYSA-N	1	0	203.242	-1.484	1	0		BAAFRO
C[C@@H](ONC(=O)C[C@H]([NH3+])C[C@@H](O)C[NH3+])C(=O)[O-]	ZINC000026485174	176003033	/nfs/dbraw/zinc/00/30/33/176003033.db2.gz	OCOOOFDNVYPOID-FSDSQADBSA-N	1	0	249.267	-2.066	1	0		BAAFRO
C[C@H](ONC(=O)C[C@H]([NH3+])C[C@@H](O)C[NH3+])C(=O)[O-]	ZINC000026485182	177021539	/nfs/dbraw/zinc/02/15/39/177021539.db2.gz	OCOOOFDNVYPOID-RRKCRQDMSA-N	1	0	249.267	-2.066	1	0		BAAFRO
O[C@H]1C[NH2+][C@@H](CNCn2ccnc2)[C@@H]1O	ZINC000026501036	183245570	/nfs/dbraw/zinc/24/55/70/183245570.db2.gz	AXLGCGSOTAFBLX-CIUDSAMLSA-N	1	0	212.253	-1.876	1	0		BAAFRO
O[C@H]1C[NH2+][C@H](CNCn2ccnc2)[C@@H]1O	ZINC000026501041	183244897	/nfs/dbraw/zinc/24/48/97/183244897.db2.gz	AXLGCGSOTAFBLX-VGMNWLOBSA-N	1	0	212.253	-1.876	1	0		BAAFRO
NC(=O)CN1C[C@H](NC(=O)[C@@H]2CCC[NH2+]2)C1=O	ZINC000026578039	181233465	/nfs/dbraw/zinc/23/34/65/181233465.db2.gz	FOGDQKPONMFCAO-BQBZGAKWSA-N	1	0	240.263	-2.449	1	0		BAAFRO
NC(=O)CN1C[C@H](NC(=O)[C@H]2CCC[NH2+]2)C1=O	ZINC000026578040	181233631	/nfs/dbraw/zinc/23/36/31/181233631.db2.gz	FOGDQKPONMFCAO-RQJHMYQMSA-N	1	0	240.263	-2.449	1	0		BAAFRO
CC(=O)SCCNC(=O)CNC(=O)[C@@H](C)[NH3+]	ZINC000026750140	187254791	/nfs/dbraw/zinc/25/47/91/187254791.db2.gz	FLPLRTPCSJYVET-ZCFIWIBFSA-N	1	0	247.320	-1.154	1	0		BAAFRO
CC(=O)SCCNC(=O)[C@H](C)NC(=O)C[NH3+]	ZINC000026750936	187254548	/nfs/dbraw/zinc/25/45/48/187254548.db2.gz	BSFOVBQJAWQHPM-LURJTMIESA-N	1	0	247.320	-1.154	1	0		BAAFRO
[NH3+]CC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000026831645	181407212	/nfs/dbraw/zinc/40/72/12/181407212.db2.gz	BNFUZESWWRCHFC-TXXZRHAASA-N	1	0	207.226	-2.822	1	0		BAAFRO
[NH3+]CC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000026831649	181406829	/nfs/dbraw/zinc/40/68/29/181406829.db2.gz	BNFUZESWWRCHFC-WCMLQCRESA-N	1	0	207.226	-2.822	1	0		BAAFRO
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000026839571	181353435	/nfs/dbraw/zinc/35/34/35/181353435.db2.gz	AVDOUEOFSCXBTB-HYCBYNFESA-N	1	0	236.224	-4.139	1	0		BAAFRO
[NH3+]CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000026839575	181353557	/nfs/dbraw/zinc/35/35/57/181353557.db2.gz	AVDOUEOFSCXBTB-NRMOLFOWSA-N	1	0	236.224	-4.139	1	0		BAAFRO
[NH3+]CC(=O)N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000026839579	181354317	/nfs/dbraw/zinc/35/43/17/181354317.db2.gz	AVDOUEOFSCXBTB-WBAUUHMWSA-N	1	0	236.224	-4.139	1	0		BAAFRO
C[C@H]1N[C@@](C[NH3+])(CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000027074028	187254779	/nfs/dbraw/zinc/25/47/79/187254779.db2.gz	AZXFRLATBKJXFM-HEIBUPTGSA-N	1	0	206.242	-3.249	1	0		BAAFRO
[NH3+]C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O	ZINC000027717939	181468622	/nfs/dbraw/zinc/46/86/22/181468622.db2.gz	ABYZQSMQSHNEMQ-ATRFCDNQSA-N	1	0	227.220	-1.856	1	0		BAAFRO
NC(=[NH2+])NCCn1cnc2c1ncnc2N	ZINC000028007682	181189254	/nfs/dbraw/zinc/18/92/54/181189254.db2.gz	ADBSNZHFEPYKOR-UHFFFAOYSA-N	1	0	220.240	-1.108	1	0		BAAFRO
CCC[N@@H+]1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO	ZINC000028397364	169210436	/nfs/dbraw/zinc/21/04/36/169210436.db2.gz	DUKKBXHYYSHSAI-UYXSQOIJSA-N	1	0	205.254	-1.844	1	0		BAAFRO
O[C@H]1[NH2+][C@H](CNCc2ccccc2)[C@@H](O)[C@H]1O	ZINC000028469099	183249682	/nfs/dbraw/zinc/24/96/82/183249682.db2.gz	GTWDNIHZCBBNKH-DDHJBXDOSA-N	1	0	238.287	-1.212	1	0		BAAFRO
OC[C@@H](O)[C@H]1[C@H](O)[C@@H](O)[C@@H]2CCC[N@@H+]21	ZINC000028651876	183114835	/nfs/dbraw/zinc/11/48/35/183114835.db2.gz	OXLUKGWOSYORHL-BGKGJTHRSA-N	1	0	203.238	-2.092	1	0		BAAFRO
C[C@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)[N@@H+]21	ZINC000028654674	177338294	/nfs/dbraw/zinc/33/82/94/177338294.db2.gz	PIBHCJDPQRCONN-ZLFMKPOPSA-N	1	0	203.238	-2.094	1	0		BAAFRO
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@@H](O)C[C@@H](CO)[N@@H+]12	ZINC000028654685	183131496	/nfs/dbraw/zinc/13/14/96/183131496.db2.gz	FKQQQROPNALGDM-ARADLNFTSA-N	1	0	219.237	-3.121	1	0		BAAFRO
OC[C@@H]1[C@@H](O)[C@@H](O)[C@H]2[C@H](O)C[C@@H](CO)[N@@H+]12	ZINC000028654695	183129764	/nfs/dbraw/zinc/12/97/64/183129764.db2.gz	FKQQQROPNALGDM-ZLFMKPOPSA-N	1	0	219.237	-3.121	1	0		BAAFRO
OC[C@H]1CC[N@@H+]2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12	ZINC000028826692	183153152	/nfs/dbraw/zinc/15/31/52/183153152.db2.gz	SFCAIHRLPSMRRE-ANZWQOBJSA-N	1	0	203.238	-2.235	1	0		BAAFRO
OC[C@@H]1CC[N@@H+]2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]12	ZINC000028826693	183123872	/nfs/dbraw/zinc/12/38/72/183123872.db2.gz	SFCAIHRLPSMRRE-OFPUPOEVSA-N	1	0	203.238	-2.235	1	0		BAAFRO
CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(C[NH3+])S1	ZINC000029043323	168137737	/nfs/dbraw/zinc/13/77/37/168137737.db2.gz	UYTGIRHCGLWEML-QMGXLNLGSA-N	1	0	248.304	-1.712	1	0		BAAFRO
COCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1C	ZINC000029132558	174318499	/nfs/dbraw/zinc/31/84/99/174318499.db2.gz	OXORFQAJXZWKQU-BZNPZCIMSA-N	1	0	205.254	-1.580	1	0		BAAFRO
[NH3+]CC(=O)N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000029233203	181355438	/nfs/dbraw/zinc/35/54/38/181355438.db2.gz	AVDOUEOFSCXBTB-JVEFNUALSA-N	1	0	236.224	-4.139	1	0		BAAFRO
[NH3+]CC(=O)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	ZINC000029233211	181355871	/nfs/dbraw/zinc/35/58/71/181355871.db2.gz	AVDOUEOFSCXBTB-KYEGTCRESA-N	1	0	236.224	-4.139	1	0		BAAFRO
C[C@@H](O)[C@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000034946851	574414283	/nfs/dbraw/zinc/41/42/83/574414283.db2.gz	ZOKVLMBYDSIDKG-PRJMDXOYSA-N	1	0	247.295	-1.607	1	0	endogenous,in-man	BAAFRO
C[C@@H](O)[C@@H](NC(=O)[C@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000034946855	574414316	/nfs/dbraw/zinc/41/43/16/574414316.db2.gz	ZOKVLMBYDSIDKG-BWZBUEFSSA-N	1	0	247.295	-1.607	1	0	endogenous,in-man	BAAFRO
NC(=[NH2+])c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000035803836	181195938	/nfs/dbraw/zinc/19/59/38/181195938.db2.gz	ZWUAUEINCTYINW-FDDDBJFASA-N	1	0	241.247	-1.616	1	0		BAAFRO
N[C@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000036520035	181378930	/nfs/dbraw/zinc/37/89/30/181378930.db2.gz	KIRAJPCFBZQPRU-RQJHMYQMSA-N	1	0	232.284	-2.029	1	0		BAAFRO
C[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)[N@H+]12	ZINC000038435115	176382769	/nfs/dbraw/zinc/38/27/69/176382769.db2.gz	PIBHCJDPQRCONN-MVEQLIQHSA-N	1	0	203.238	-2.094	1	0	in-vivo	BAAFRO
OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc1ccncc1	ZINC000040835075	183132778	/nfs/dbraw/zinc/13/27/78/183132778.db2.gz	RUOOJHJSHXRXAF-OUAUKWLOSA-N	1	0	224.260	-1.020	1	0		BAAFRO
C[C@@H](C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC(N)=[NH2+]	ZINC000040836552	175767163	/nfs/dbraw/zinc/76/71/63/175767163.db2.gz	NNSUHCJCHFSDOX-YOWKYNACSA-N	1	0	233.268	-2.270	1	0		BAAFRO
NC(=O)CCNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]	ZINC000040874173	181198882	/nfs/dbraw/zinc/19/88/82/181198882.db2.gz	SWAGCOCCOSAPDI-LURJTMIESA-N	1	0	245.283	-1.832	1	0		BAAFRO
NC(=[NH2+])NCCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	ZINC000040955466	181189797	/nfs/dbraw/zinc/18/97/97/181189797.db2.gz	IOTWKQKWXMYZNJ-FKSUSPILSA-N	1	0	233.268	-2.269	1	0		BAAFRO
NC(=[NH2+])NCCN1C[C@H](O)[C@H](O)[C@H]1CO	ZINC000040957602	181188861	/nfs/dbraw/zinc/18/88/61/181188861.db2.gz	XQSUAMWKKQZJOK-DSYKOEDSSA-N	1	0	218.257	-3.132	1	0		BAAFRO
NC(=[NH2+])NCCCC(=O)NCC(N)=O	ZINC000045188452	181188901	/nfs/dbraw/zinc/18/89/01/181188901.db2.gz	RLLRNWYGXTWKIA-UHFFFAOYSA-N	1	0	201.230	-2.149	1	0		BAAFRO
NC(=[NH2+])c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	ZINC000049055339	181195829	/nfs/dbraw/zinc/19/58/29/181195829.db2.gz	ZWUAUEINCTYINW-DQUBFYRCSA-N	1	0	241.247	-1.616	1	0		BAAFRO
[NH3+]CC[C@@H](C(=O)[O-])N1C(=O)[C@H]2C[NH2+]C[C@H]2C1=O	ZINC000049088587	181403067	/nfs/dbraw/zinc/40/30/67/181403067.db2.gz	GHOHYUYCLYMJPX-XVMARJQXSA-N	1	0	241.247	-2.007	1	0		BAAFRO
C[C@@H](O)[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000050027168	574414920	/nfs/dbraw/zinc/41/49/20/574414920.db2.gz	YKRQRPFODDJQTC-PRJMDXOYSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
[NH3+][C@@H](CO)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027913	574415183	/nfs/dbraw/zinc/41/51/83/574415183.db2.gz	XMXRWVAGRXQGGI-BQBZGAKWSA-N	1	0	233.268	-1.996	1	0	endogenous,in-vitro	BAAFRO
[NH3+][C@H](CCCCNC(=O)[C@@H]([NH3+])CO)C(=O)[O-]	ZINC000050027916	574415152	/nfs/dbraw/zinc/41/51/52/574415152.db2.gz	XMXRWVAGRXQGGI-RQJHMYQMSA-N	1	0	233.268	-1.996	1	0	endogenous,in-vitro	BAAFRO
C[C@@H](O)[C@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027964	574415212	/nfs/dbraw/zinc/41/52/12/574415212.db2.gz	KBBSTKRMTXZXBS-CSMHCCOUSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
C[C@@H](O)[C@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027966	574415237	/nfs/dbraw/zinc/41/52/37/574415237.db2.gz	KBBSTKRMTXZXBS-PRJMDXOYSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
[NH3+][C@H](CO)C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050027996	574415251	/nfs/dbraw/zinc/41/52/51/574415251.db2.gz	XMXRWVAGRXQGGI-NKWVEPMBSA-N	1	0	233.268	-1.996	1	0	endogenous,in-vitro	BAAFRO
[NH3+][C@H](CO)C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050027998	574415239	/nfs/dbraw/zinc/41/52/39/574415239.db2.gz	XMXRWVAGRXQGGI-RNFRBKRXSA-N	1	0	233.268	-1.996	1	0	endogenous,in-vitro	BAAFRO
C[C@H](O)[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-]	ZINC000050028014	574415255	/nfs/dbraw/zinc/41/52/55/574415255.db2.gz	KBBSTKRMTXZXBS-BIIVOSGPSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
C[C@H](O)[C@@H]([NH3+])C(=O)NCCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000050028015	574415266	/nfs/dbraw/zinc/41/52/66/574415266.db2.gz	KBBSTKRMTXZXBS-XLPZGREQSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-]	ZINC000060147881	571771454	/nfs/dbraw/zinc/77/14/54/571771454.db2.gz	YKRQRPFODDJQTC-GJMOJQLCSA-N	1	0	247.295	-1.607	1	0	endogenous,in-man	BAAFRO
CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CC[NH3+]	ZINC000066104566	173304719	/nfs/dbraw/zinc/30/47/19/173304719.db2.gz	DPGRPMORSSCOTI-QMMMGPOBSA-N	1	0	239.279	-1.468	1	0		BAAFRO
C[C@@H](O)[C@@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)[O-]	ZINC000069485947	571773653	/nfs/dbraw/zinc/77/36/53/571773653.db2.gz	ZOKVLMBYDSIDKG-GJMOJQLCSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
C[C@@H](O)[C@@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000069486059	574415625	/nfs/dbraw/zinc/41/56/25/574415625.db2.gz	YKRQRPFODDJQTC-BWZBUEFSSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
C[C@H](O)[C@H]([NH3+])C(=O)N[C@H](CCCC[NH3+])C(=O)[O-]	ZINC000069486062	574415637	/nfs/dbraw/zinc/41/56/37/574415637.db2.gz	YKRQRPFODDJQTC-RNJXMRFFSA-N	1	0	247.295	-1.607	1	0	endogenous,in-vitro	BAAFRO
[NH3+]CCCCC(NC(=O)[C@H]([NH3+])CO)C(=O)[O-]	ZINC000069487917	574416251	/nfs/dbraw/zinc/41/62/51/574416251.db2.gz	JNAIVJSYBLHIHI-ZCFIWIBFSA-N	1	0	233.268	-1.164	1	0	endogenous,in-vitro	BAAFRO
[NH3+]CCCCC(NC(=O)[C@@H]([NH3+])CO)C(=O)[O-]	ZINC000069487920	574416261	/nfs/dbraw/zinc/41/62/61/574416261.db2.gz	JNAIVJSYBLHIHI-LURJTMIESA-N	1	0	233.268	-1.164	1	0	endogenous,in-vitro	BAAFRO
NC(=[NH2+])NCCC[C@@H](NC=[NH2+])C(=O)[O-]	ZINC000069488475	574416389	/nfs/dbraw/zinc/41/63/89/574416389.db2.gz	UDAPEAONIACLOS-RXMQYKEDSA-N	1	0	201.230	-1.100	1	0	endogenous,in-vitro	BAAFRO
NC(=[NH2+])NCCC[C@H](NC=[NH2+])C(=O)[O-]	ZINC000069488478	574416376	/nfs/dbraw/zinc/41/63/76/574416376.db2.gz	UDAPEAONIACLOS-YFKPBYRVSA-N	1	0	201.230	-1.100	1	0	endogenous,in-vitro	BAAFRO
CCC[C@@H](O)[C@@H]1[NH2+][C@@H](CO)[C@H](O)[C@H]1O	ZINC000095573961	169411750	/nfs/dbraw/zinc/41/17/50/169411750.db2.gz	ADHBBGZXYNTTLK-BGKGJTHRSA-N	1	0	205.254	-1.798	1	0		BAAFRO
NC(=[NH2+])Nc1nc(N)nc2c1ncn2CCO	ZINC000095589860	181191642	/nfs/dbraw/zinc/19/16/42/181191642.db2.gz	RQLXVZVUCTVUTR-UHFFFAOYSA-N	1	0	236.239	-1.294	1	0		BAAFRO
[NH3+][C@@H](CCC(=O)NC(=O)[C@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000095617783	574417018	/nfs/dbraw/zinc/41/70/18/574417018.db2.gz	FSGFZJVYAZKWHO-NKWVEPMBSA-N	1	0	243.263	-1.427	1	0	endogenous,in-man	BAAFRO
[NH3+][C@H](CCC(=O)NC(=O)[C@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000095617784	571796153	/nfs/dbraw/zinc/79/61/53/571796153.db2.gz	FSGFZJVYAZKWHO-RNFRBKRXSA-N	1	0	243.263	-1.427	1	0	endogenous,in-man	BAAFRO
[NH3+][C@H](CCC(=O)NC(=O)[C@@H]1CCC[NH2+]1)C(=O)[O-]	ZINC000095617785	571796211	/nfs/dbraw/zinc/79/62/11/571796211.db2.gz	FSGFZJVYAZKWHO-RQJHMYQMSA-N	1	0	243.263	-1.427	1	0	endogenous,in-man	BAAFRO
Nc1nc2c(C[NH2+]CCO)c[nH]c2c(=O)[nH]1	ZINC000096316659	581100094	/nfs/dbraw/zinc/10/00/94/581100094.db2.gz	HHMFGFHDXNNTCK-UHFFFAOYSA-N	1	0	223.236	-1.085	1	0		BAAFRO
[NH3+]CCCC[C@@H]([NH3+])C(=O)NC(CO)C(=O)[O-]	ZINC000100387500	574417951	/nfs/dbraw/zinc/41/79/51/574417951.db2.gz	CYXGAENENUQKFB-ZCFIWIBFSA-N	1	0	233.268	-1.164	1	0	endogenous,in-vitro	BAAFRO
[NH3+]CCCC[C@H]([NH3+])C(=O)NC(CO)C(=O)[O-]	ZINC000100387504	574417937	/nfs/dbraw/zinc/41/79/37/574417937.db2.gz	CYXGAENENUQKFB-LURJTMIESA-N	1	0	233.268	-1.164	1	0	endogenous,in-vitro	BAAFRO
[NH3+]CCNC(=O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@H](O)C1	ZINC000101839148	181395399	/nfs/dbraw/zinc/39/53/99/181395399.db2.gz	XRGSHHKQKGZFTJ-PULFBKJNSA-N	1	0	234.252	-3.331	1	0		BAAFRO
C[N@@H+]1[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1CO	ZINC000103154338	173205323	/nfs/dbraw/zinc/20/53/23/173205323.db2.gz	CVSZHOAOIZMVHV-YQXRAVKXSA-N	1	0	207.226	-3.264	1	0		BAAFRO
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H]([NH3+])[C@H]2O)n1	ZINC000169319708	181313963	/nfs/dbraw/zinc/31/39/63/181313963.db2.gz	MJHMXONQSUJWOR-AFCXAGJDSA-N	1	0	243.223	-3.045	1	0		BAAFRO
CCCC[NH2+][C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	ZINC000169330493	168878364	/nfs/dbraw/zinc/87/83/64/168878364.db2.gz	HCQHRLQIABKIDK-SVSWQMSJSA-N	1	0	219.281	-1.408	1	0		BAAFRO