smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)Nc1ccccc1	ZINC000077265083	202391167	/nfs/dbraw/zinc/39/11/67/202391167.db2.gz	KIRBKHFEJXLHOS-OAGGEKHMSA-N	1	0	335.404	0.705	40	0	biogenic,in-vitro	ECABRO
CCn1cc(C(=O)N2CC[C@H]3OC[C@@H]([NH2+]C)[C@](C)(O)C[C@H]3C2)cn1	ZINC000257204031	244128568	/nfs/dbraw/zinc/12/85/68/244128568.db2.gz	ASTLQKYCXKJAQF-DPAVQSFQSA-N	1	0	336.436	0.493	40	0		ECABRO
O=C(CC[NH+]1CCCCCC1)N1CC[C@](O)(CN2CCOCC2)C1	ZINC000257243500	244251263	/nfs/dbraw/zinc/25/12/63/244251263.db2.gz	IHHPKOUPIHAJIW-SFHVURJKSA-N	1	0	339.480	0.548	40	0		ECABRO
Cn1cc(C(=O)N[C@@H]2C[C@@H](Oc3ccccc3)[C@H](O)[C@H]2[NH+](C)C)cn1	ZINC000257240343	244241760	/nfs/dbraw/zinc/24/17/60/244241760.db2.gz	HTBSLQRSDYLOLD-NCOADZHNSA-N	1	0	344.415	0.661	40	0		ECABRO
Cc1noc(C)c1-c1cc(CC[C@@H]2CN(C(=O)C[NH3+])CCO2)ncn1	ZINC000257249297	244266802	/nfs/dbraw/zinc/26/68/02/244266802.db2.gz	JHOZLRDUGGJQNT-CQSZACIVSA-N	1	0	345.403	0.867	40	0		ECABRO
CC(C)C(=O)N[C@@H]1C[C@H](O)[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H]1O	ZINC000257273851	244386981	/nfs/dbraw/zinc/38/69/81/244386981.db2.gz	NIMVQFRMENHTJV-XMTFNYHQSA-N	1	0	347.459	0.444	40	0		ECABRO
Cc1nccn1CC(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257274179	244388640	/nfs/dbraw/zinc/38/86/40/244388640.db2.gz	NJWNLBAZINRSLJ-OAHLLOKOSA-N	1	0	342.390	0.886	40	0		ECABRO
Cc1cc(N2CCC[C@](O)(CNC(=O)CC[NH3+])C2)c2cnccc2n1	ZINC000257338650	244567932	/nfs/dbraw/zinc/56/79/32/244567932.db2.gz	YYIVRPWIFGVORP-SFHVURJKSA-N	1	0	343.431	0.735	40	0		ECABRO
C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)c1cn2cnnc2[nH]c1=O	ZINC000257213752	277045339	/nfs/dbraw/zinc/04/53/39/277045339.db2.gz	CIYMIMJPKZYHMB-CHWSQXEVSA-N	1	0	330.392	0.919	40	0		ECABRO
CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1	ZINC000012366432	279870845	/nfs/dbraw/zinc/87/08/45/279870845.db2.gz	RPSDDDUHCQNFCQ-LBTNJELSSA-N	1	0	329.400	0.813	40	0		ECABRO
CC(C)[NH2+]C[C@H](O)COc1cccc2c1OC[C@H](O[N+](=O)[O-])C2	ZINC000005442134	435989765	/nfs/dbraw/zinc/98/97/65/435989765.db2.gz	OMCPLEZZPVJJIS-QWHCGFSZSA-N	1	0	326.349	0.936	40	0	world	ECABRO
C[C@@H](C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2)N1CCOCC1	ZINC000019078820	436105641	/nfs/dbraw/zinc/10/56/41/436105641.db2.gz	FRZSXXOOYYVGBR-BBRMVZONSA-N	1	0	345.447	0.507	40	0		ECABRO
C[N@@H+](Cc1ccco1)C[C@@H]1Cn2ccnc2CN(S(C)(=O)=O)C1	ZINC000096188692	436520362	/nfs/dbraw/zinc/52/03/62/436520362.db2.gz	IOUIEIVUILDTEE-CYBMUJFWSA-N	1	0	338.433	1.000	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CCOC2)C1	ZINC000096188994	436520710	/nfs/dbraw/zinc/52/07/10/436520710.db2.gz	VKJIHZGHDXJXAO-GJZGRUSLSA-N	1	0	336.436	0.456	40	0		ECABRO
CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccn3)O2)CC1	ZINC000096057347	436506004	/nfs/dbraw/zinc/50/60/04/436506004.db2.gz	IDVCJYXCWLSQLR-KURKYZTESA-N	1	0	344.459	0.978	40	0		ECABRO
Cn1cc(CN2CCCn3nnc(COCC[NH+](C)C)c3C2)cn1	ZINC000096058823	436507945	/nfs/dbraw/zinc/50/79/45/436507945.db2.gz	ANFMJXOPWVFMSI-UHFFFAOYSA-N	1	0	333.440	0.496	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H]1CCCO1)C2	ZINC000096067611	436510646	/nfs/dbraw/zinc/51/06/46/436510646.db2.gz	ILRZYXTVSWWRLT-HOCLYGCPSA-N	1	0	333.432	0.562	40	0		ECABRO
Cc1ncc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)cn1	ZINC000108525893	436619591	/nfs/dbraw/zinc/61/95/91/436619591.db2.gz	YVSMBABSVFOUSA-KBPBESRZSA-N	1	0	326.422	0.020	40	0		ECABRO
C[NH+](C)CC(=O)N1CC2(C1)C[C@H](CCOc1cnccn1)CCO2	ZINC000247958836	436797977	/nfs/dbraw/zinc/79/79/77/436797977.db2.gz	DQIBOOYLQWFQKL-CQSZACIVSA-N	1	0	334.420	0.815	40	0		ECABRO
CC(=O)N[C@@H]1C[C@@H](O)C[N@H+](Cc2ccc(OCCF)cc2)C[C@H]1O	ZINC000257238494	436858800	/nfs/dbraw/zinc/85/88/00/436858800.db2.gz	HLFHKDKTYKWMPT-DJIMGWMZSA-N	1	0	340.395	0.467	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCN2CCc3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257283998	436861889	/nfs/dbraw/zinc/86/18/89/436861889.db2.gz	PAUWPDPEKITQHE-HNNXBMFYSA-N	1	0	330.432	0.315	40	0		ECABRO
Cc1nc(N)cc([C@H]2CCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1	ZINC000257292271	436863747	/nfs/dbraw/zinc/86/37/47/436863747.db2.gz	QKSREEFUDGVDEN-CQSZACIVSA-N	1	0	339.465	0.928	40	0		ECABRO
O=S(=O)(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cccnc1	ZINC000257293213	436864795	/nfs/dbraw/zinc/86/47/95/436864795.db2.gz	QOOLGTOIOYOPGQ-RBSFLKMASA-N	1	0	325.434	0.738	40	0		ECABRO
Cc1cnccc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1	ZINC000257289556	436864813	/nfs/dbraw/zinc/86/48/13/436864813.db2.gz	PZDUIYRQWUWXTB-NVXWUHKLSA-N	1	0	346.387	0.106	40	0		ECABRO
Cc1cccc(C)c1C[N@@H+]1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	ZINC000257297887	436867168	/nfs/dbraw/zinc/86/71/68/436867168.db2.gz	RJFCPZKPBMQMRF-AWEZNQCLSA-N	1	0	339.461	0.482	40	0		ECABRO
O=C1CCCN1c1ccc(C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)cc1	ZINC000257308932	436867957	/nfs/dbraw/zinc/86/79/57/436867957.db2.gz	TYUFYKOHIGXUPR-HOTGVXAUSA-N	1	0	329.400	0.903	40	0		ECABRO
Cc1ccnn1CCC(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000257311649	436869140	/nfs/dbraw/zinc/86/91/40/436869140.db2.gz	UKLOBTNBWVEEGA-IRXDYDNUSA-N	1	0	349.479	0.181	40	0		ECABRO
C[N@H+](CC(=O)NC[C@]1(O)CCN(c2ncccn2)C1)C1CCCC1	ZINC000257329367	436871949	/nfs/dbraw/zinc/87/19/49/436871949.db2.gz	XJRJLZWCEJFBNV-QGZVFWFLSA-N	1	0	333.436	0.408	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2c(F)cccc2Cl)C[C@@H](C(N)=O)C1	ZINC000257327845	436872533	/nfs/dbraw/zinc/87/25/33/436872533.db2.gz	XCZZKUBMKBVEFP-JTQLQIEISA-N	1	0	327.787	0.897	40	0		ECABRO
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1	ZINC000169521380	436942713	/nfs/dbraw/zinc/94/27/13/436942713.db2.gz	KIHQBNDANGJYBJ-SJORKVTESA-N	1	0	339.395	0.701	40	0		ECABRO
CC[NH+](CC)CC[C@H]1CN(S(=O)(=O)N(C)C)Cc2cncn21	ZINC000306127034	437165262	/nfs/dbraw/zinc/16/52/62/437165262.db2.gz	FLYYESWGNGADPL-ZDUSSCGKSA-N	1	0	329.470	0.778	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2	ZINC000306126569	437165859	/nfs/dbraw/zinc/16/58/59/437165859.db2.gz	DZCVFYQEMCLMAB-KGLIPLIRSA-N	1	0	338.415	0.870	40	0		ECABRO
OCCC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1	ZINC000514290332	438813275	/nfs/dbraw/zinc/81/32/75/438813275.db2.gz	XLYWOOZQUNOQJD-RBUKOAKNSA-N	1	0	345.487	0.417	40	0	biogenic,in-vitro	ECABRO
CO[C@H]1CCC[N@H+](CC2(O)CCOCC2)[C@H]1CCC(=O)N(C)C	ZINC000585276252	439636531	/nfs/dbraw/zinc/63/65/31/439636531.db2.gz	FGKVRXZCJYRUDE-GJZGRUSLSA-N	1	0	328.453	0.876	40	0		ECABRO
CNC(=O)C[C@]1(O)COCC[N@H+](Cc2ccc3ccccc3n2)C1	ZINC000585280229	439639210	/nfs/dbraw/zinc/63/92/10/439639210.db2.gz	DEUXZSUQAYCNKD-GOSISDBHSA-N	1	0	329.400	0.934	40	0		ECABRO
O=C(NCCCN1CC[NH+](CCCNC(=O)C2CC2)CC1)C1CC1	ZINC000019690761	202016093	/nfs/dbraw/zinc/01/60/93/202016093.db2.gz	DTXYOGMWXHEZEY-UHFFFAOYSA-N	1	0	336.480	0.437	40	0		ECABRO
Cc1cccc(CNC(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)n1	ZINC000019747581	202017890	/nfs/dbraw/zinc/01/78/90/202017890.db2.gz	WAXMXIQBSLKLGR-UHFFFAOYSA-N	1	0	330.432	0.806	40	0		ECABRO
Cc1c(C[N@H+]2CCCC[C@H]2CCNS(=O)(=O)N(C)C)cnn1C	ZINC000019745780	202018512	/nfs/dbraw/zinc/01/85/12/202018512.db2.gz	JZFLEAGTKWCXOD-HNNXBMFYSA-N	1	0	343.497	0.869	40	0		ECABRO
COC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccccc1	ZINC000019818036	202022643	/nfs/dbraw/zinc/02/26/43/202022643.db2.gz	ICYGTKXWRYSLGX-UONOGXRCSA-N	1	0	330.388	0.250	40	0		ECABRO
NC(=O)[C@H]1CN(C2CCOCC2)CC[N@H+](CC2(O)CCCCC2)C1	ZINC000257289805	283326822	/nfs/dbraw/zinc/32/68/22/283326822.db2.gz	QAGNWDPMEIWBQR-OAHLLOKOSA-N	1	0	339.480	0.580	40	0		ECABRO
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C3CCC3)[C@@H]2O)cc1	ZINC000077264702	202391145	/nfs/dbraw/zinc/39/11/45/202391145.db2.gz	WIVNZFDHFRFQBG-OAGGEKHMSA-N	1	0	340.445	0.544	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O)c1ccncc1	ZINC000077265246	202391281	/nfs/dbraw/zinc/39/12/81/202391281.db2.gz	VXEMMJIZWKLUQE-ZACQAIPSSA-N	1	0	345.374	0.869	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)Cn1c(C)nc2ccccc21	ZINC000257203493	244128066	/nfs/dbraw/zinc/12/80/66/244128066.db2.gz	AQIHBNADZDWPHG-OCCSQVGLSA-N	1	0	329.404	0.137	40	0		ECABRO
CCCn1ccc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)n1	ZINC000257219100	244176917	/nfs/dbraw/zinc/17/69/17/244176917.db2.gz	DFOOQDVYZLDVBK-IRXDYDNUSA-N	1	0	349.479	0.506	40	0		ECABRO
COc1ccc([C@@H]2C[NH2+]CCN2C(=O)CCN2CCOCC2)cc1	ZINC000257214348	244161734	/nfs/dbraw/zinc/16/17/34/244161734.db2.gz	CLQWDQIFYUNHSZ-KRWDZBQOSA-N	1	0	333.432	0.890	40	0		ECABRO
O=C(Cn1c(=O)oc2ccccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257235003	244226569	/nfs/dbraw/zinc/22/65/69/244226569.db2.gz	GVYWKCKPOWTPSE-SFHVURJKSA-N	1	0	345.399	0.654	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)C3CCOCC3)CC[C@@H]2O)CC1	ZINC000257236251	244228740	/nfs/dbraw/zinc/22/87/40/244228740.db2.gz	HBIVWICWQSORNO-HOTGVXAUSA-N	1	0	325.453	0.012	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1	ZINC000257246794	244258763	/nfs/dbraw/zinc/25/87/63/244258763.db2.gz	IVWBMLALXMBTEP-AWEZNQCLSA-N	1	0	335.452	0.411	40	0		ECABRO
[NH3+]CCC(=O)NC[C@@]1(O)CCCN(c2ccnc3cccnc32)C1	ZINC000257247348	244261080	/nfs/dbraw/zinc/26/10/80/244261080.db2.gz	IYPAQNLJJGKHJV-KRWDZBQOSA-N	1	0	329.404	0.426	40	0		ECABRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)CCNC(=O)c2cccnc2)CC1	ZINC000257255027	244278098	/nfs/dbraw/zinc/27/80/98/244278098.db2.gz	KFUONMJEASZEFX-GOSISDBHSA-N	1	0	348.447	0.507	40	0		ECABRO
Cn1c2ccc(C[N@@H+]3CC[C@H]4OCC(=O)N(C)[C@H]4C3)cc2n(C)c1=O	ZINC000257266715	244363006	/nfs/dbraw/zinc/36/30/06/244363006.db2.gz	MEDXFIAIQQSLBX-JKSUJKDBSA-N	1	0	344.415	0.309	40	0		ECABRO
Cc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)n1	ZINC000257269410	244369309	/nfs/dbraw/zinc/36/93/09/244369309.db2.gz	MPVQCYALXZFQJW-HNNXBMFYSA-N	1	0	332.448	0.788	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccsc2)C[C@H]1O)c1ccccn1	ZINC000257272502	244382298	/nfs/dbraw/zinc/38/22/98/244382298.db2.gz	NCQHDMMPCSRAKE-NVXWUHKLSA-N	1	0	347.440	0.871	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@@]1(O)CCN(c2ccnc3cccnc32)C1	ZINC000257325914	244533278	/nfs/dbraw/zinc/53/32/78/244533278.db2.gz	WVAAKRMDUPCLFR-KRWDZBQOSA-N	1	0	329.404	0.426	40	0		ECABRO
Nc1cc(CC[C@@H]2CN(C(=O)CCCn3cncn3)CCO2)cc[nH+]1	ZINC000257330446	244547644	/nfs/dbraw/zinc/54/76/44/244547644.db2.gz	XOLVOPHVRWWVPZ-OAHLLOKOSA-N	1	0	344.419	0.896	40	0		ECABRO
CC[NH+]1CCN(C2=[NH+][C@H](c3ccco3)[C@@H](C(=O)OC)C([O-])=N2)CC1	ZINC000054121102	285311762	/nfs/dbraw/zinc/31/17/62/285311762.db2.gz	ONCGDCALAKQHAE-CHWSQXEVSA-N	1	0	334.376	0.233	40	0		ECABRO
O=C([C@H]1CCOC1)N1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096224268	304446602	/nfs/dbraw/zinc/44/66/02/304446602.db2.gz	ZFAHRDOLYBLJPI-QFBILLFUSA-N	1	0	349.475	0.960	40	0		ECABRO
COCC[N@@H+]1CC[C@@H]2NS(=O)(=O)c3ccccc3O[C@H]2CC1	ZINC000096263854	274032957	/nfs/dbraw/zinc/03/29/57/274032957.db2.gz	KFIOMXXYTWAIRE-STQMWFEESA-N	1	0	326.418	0.837	40	0		ECABRO
CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@H+](CCO)C2	ZINC000257260072	278184282	/nfs/dbraw/zinc/18/42/82/278184282.db2.gz	LBFMFKIFTOVXQK-GUDVDZBRSA-N	1	0	345.443	0.779	40	0		ECABRO
O=C(C1C[NH+](C2CCCCC2)C1)N1C[C@@H](O)[C@H](N2CCOCC2)C1	ZINC000257274419	279743872	/nfs/dbraw/zinc/74/38/72/279743872.db2.gz	NLAAFUVNRQMCQP-IAGOWNOFSA-N	1	0	337.464	0.155	40	0		ECABRO
C[NH+](C)CCN1CC[C@]2(CCCN(C(=O)c3cnccn3)C2)C1=O	ZINC000096073956	289156352	/nfs/dbraw/zinc/15/63/52/289156352.db2.gz	HXIGSJMTTVUQMC-KRWDZBQOSA-N	1	0	331.420	0.493	40	0		ECABRO
CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1	ZINC000012220099	436049118	/nfs/dbraw/zinc/04/91/18/436049118.db2.gz	VRVVUSMLXLYWKO-YEWDVWPNSA-N	1	0	344.415	0.569	40	0		ECABRO
O=c1cccnn1C[C@H]1Cn2ccnc2C[N@H+](C[C@@H]2CCOC2)C1	ZINC000096188741	436520580	/nfs/dbraw/zinc/52/05/80/436520580.db2.gz	UTYLUWCPPIVAMI-LSDHHAIUSA-N	1	0	329.404	0.608	40	0		ECABRO
Cn1cccc1C(=O)NCc1cnc2n1CC[N@H+]([C@H]1CCOC1)CC2	ZINC000096197073	436521358	/nfs/dbraw/zinc/52/13/58/436521358.db2.gz	XPYHYMTYVISUIY-AWEZNQCLSA-N	1	0	343.431	0.799	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2ccco2)C1	ZINC000096188825	436521741	/nfs/dbraw/zinc/52/17/41/436521741.db2.gz	HBKOFUPUYRMNDR-CQSZACIVSA-N	1	0	331.420	0.786	40	0		ECABRO
COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H](C(=O)N3CCCO3)[C@@H]2C1	ZINC000096038651	436504533	/nfs/dbraw/zinc/50/45/33/436504533.db2.gz	NLVDUIFWHMCCKT-BZUAXINKSA-N	1	0	347.415	0.949	40	0		ECABRO
C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3cnccn3)CC[C@@H]21	ZINC000096064424	436507814	/nfs/dbraw/zinc/50/78/14/436507814.db2.gz	AVPJFPZLCJQKJP-YCPHGPKFSA-N	1	0	326.404	0.908	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2cccnc2)C3)cn1	ZINC000096061021	436508219	/nfs/dbraw/zinc/50/82/19/436508219.db2.gz	DZHZQLISNMOYDL-CQSZACIVSA-N	1	0	325.376	0.762	40	0		ECABRO
Cc1noc(C)c1C[NH2+]C[C@H]1Cn2nnc(-c3ccnn3C)c2CO1	ZINC000096069331	436510251	/nfs/dbraw/zinc/51/02/51/436510251.db2.gz	DKYAVMPGYKNFDF-LBPRGKRZSA-N	1	0	343.391	0.972	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC(=O)N4CCCC4)CO3)C2)cn1	ZINC000096107594	436511371	/nfs/dbraw/zinc/51/13/71/436511371.db2.gz	NTAVORUGPPFUKX-WMZOPIPTSA-N	1	0	348.447	0.793	40	0		ECABRO
Cn1cc(C[NH2+][C@@H]2CCC[C@@H](C(=O)NC3CC3)CC(=O)N(C)C2)cn1	ZINC000096113417	436513088	/nfs/dbraw/zinc/51/30/88/436513088.db2.gz	PJQJVAVWCPVKJM-GDBMZVCRSA-N	1	0	347.463	0.806	40	0	biogenic,in-vitro	ECABRO
Cn1cc(C[NH+]2CCC3(C[C@H](NS(C)(=O)=O)CO3)CC2)cn1	ZINC000096224812	436524745	/nfs/dbraw/zinc/52/47/45/436524745.db2.gz	OPEHPZXZNIPLBF-ZDUSSCGKSA-N	1	0	328.438	0.093	40	0		ECABRO
Cc1cccc(CN2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)n1	ZINC000096228919	436526222	/nfs/dbraw/zinc/52/62/22/436526222.db2.gz	TUDARFIHBHWNHX-IBGZPJMESA-N	1	0	348.491	0.855	40	0		ECABRO
CN(C)C(=O)N1CCC2(C[N@H+](CC3CC3)C[C@@]23CCNC3=O)CC1	ZINC000096243909	436527398	/nfs/dbraw/zinc/52/73/98/436527398.db2.gz	FARYFSKKWXVAKV-GOSISDBHSA-N	1	0	334.464	0.982	40	0		ECABRO
Cc1nc(N2CCOCC2)nc2c1CC[N@H+](Cc1cncn1C)CC2	ZINC000096254865	436527748	/nfs/dbraw/zinc/52/77/48/436527748.db2.gz	FMMATTPVTFUVNY-UHFFFAOYSA-N	1	0	342.447	0.956	40	0		ECABRO
Cc1noc(C)c1C[N@@H+]1CC[C@H]2OCCN(S(C)(=O)=O)[C@@H]2CC1	ZINC000096249469	436528781	/nfs/dbraw/zinc/52/87/81/436528781.db2.gz	NGGGATSIHVNLHC-HUUCEWRRSA-N	1	0	343.449	0.916	40	0		ECABRO
COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(S(=O)(=O)N(C)C)CC2	ZINC000247952931	436798504	/nfs/dbraw/zinc/79/85/04/436798504.db2.gz	MRVYTBJDTHXFNK-CQSZACIVSA-N	1	0	349.497	0.100	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)/C=C/c3cccs3)C2)CC1	ZINC000257323056	436871239	/nfs/dbraw/zinc/87/12/39/436871239.db2.gz	WIOUBWLSEUWLFK-BDUNBXCCSA-N	1	0	335.473	0.972	40	0		ECABRO
COc1ccc(S(=O)(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)cc1	ZINC000257327995	436872265	/nfs/dbraw/zinc/87/22/65/436872265.db2.gz	XDSMJRNSOVDWBO-GJZGRUSLSA-N	1	0	328.434	0.771	40	0		ECABRO
Cn1cc(CN2CC[C@]3(C2)CN(S(C)(=O)=O)c2cccnc23)cn1	ZINC000306127012	437165383	/nfs/dbraw/zinc/16/53/83/437165383.db2.gz	FLKRFDGMSUBVBG-INIZCTEOSA-N	1	0	347.444	0.738	40	0		ECABRO
CCNc1nccc(N2CCc3ccc(S(N)(=O)=O)cc3C2)n1	ZINC000329067732	437310825	/nfs/dbraw/zinc/31/08/25/437310825.db2.gz	YKLQZHIBRQEXJC-UHFFFAOYSA-N	1	0	333.417	1.119	40	0		ECABRO
CC(C)NC(=O)N[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O	ZINC000514289165	438812374	/nfs/dbraw/zinc/81/23/74/438812374.db2.gz	WQGACXUFWJDOHW-YESZJQIVSA-N	1	0	335.448	0.997	40	0	biogenic,in-vitro	ECABRO
CC(=O)N1CC2(C1)CN(C(=O)c1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289762	438812576	/nfs/dbraw/zinc/81/25/76/438812576.db2.gz	OKMDRHDLUXWDDD-JKSUJKDBSA-N	1	0	329.400	0.179	40	0	biogenic,in-vitro	ECABRO
CN1CCN([C@H]2C[N@H+](Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1	ZINC000585269912	439636625	/nfs/dbraw/zinc/63/66/25/439636625.db2.gz	PRWLMEXVNYDZIG-OALUTQOASA-N	1	0	349.475	0.240	40	0		ECABRO
CNC(=O)CC[C@]1(O)CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000585279653	439638568	/nfs/dbraw/zinc/63/85/68/439638568.db2.gz	WUPKUCFHHQAIRG-GOSISDBHSA-N	1	0	339.480	0.987	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3cccc(NC)n3)C2)CC1	ZINC000257210999	535651622	/nfs/dbraw/zinc/65/16/22/535651622.db2.gz	BXBDSELPQXKLGM-MRXNPFEDSA-N	1	0	347.463	0.661	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)c1cccs1	ZINC000077264182	202391789	/nfs/dbraw/zinc/39/17/89/202391789.db2.gz	DAGIGQSJZXRTHM-BZPMIXESSA-N	1	0	326.418	0.375	40	0	biogenic,in-vitro	ECABRO
Cc1ncncc1C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2	ZINC000257211900	244154934	/nfs/dbraw/zinc/15/49/34/244154934.db2.gz	CAZOTKINOXNQRM-RDJZCZTQSA-N	1	0	348.447	0.861	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)CCc3cccnc3)CC[C@@H]2O)CC1	ZINC000257212676	244156426	/nfs/dbraw/zinc/15/64/26/244156426.db2.gz	CEMIQGADDNNCLZ-ROUUACIJSA-N	1	0	346.475	0.614	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2ccn(C)n2)C1	ZINC000257219328	244177024	/nfs/dbraw/zinc/17/70/24/244177024.db2.gz	DGKPNVCEKWGGAP-GOSISDBHSA-N	1	0	343.431	0.914	40	0		ECABRO
CNC(=O)c1ccc([C@H]2CN(c3cc(C)[nH+]c(N)n3)CCO2)nc1	ZINC000072388044	203212666	/nfs/dbraw/zinc/21/26/66/203212666.db2.gz	VQLABBBAIDTSOO-CYBMUJFWSA-N	1	0	328.376	0.700	40	0		ECABRO
NC(=O)[C@@H]1CN(C(=O)c2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257245755	244256104	/nfs/dbraw/zinc/25/61/04/244256104.db2.gz	IQYVJOCYUUNFFE-AWEZNQCLSA-N	1	0	332.404	0.120	40	0		ECABRO
O=C(Cn1c(=O)oc2ccccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257235002	244227501	/nfs/dbraw/zinc/22/75/01/244227501.db2.gz	GVYWKCKPOWTPSE-GOSISDBHSA-N	1	0	345.399	0.654	40	0		ECABRO
[NH3+]CCCC(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1	ZINC000257240952	244240734	/nfs/dbraw/zinc/24/07/34/244240734.db2.gz	HVWFOENKEJFHSD-UHFFFAOYSA-N	1	0	343.431	0.816	40	0		ECABRO
[NH3+]CCC(=O)NC[C@]1(O)CCCN(c2ccnc3cccnc32)C1	ZINC000257247349	244260079	/nfs/dbraw/zinc/26/00/79/244260079.db2.gz	IYPAQNLJJGKHJV-QGZVFWFLSA-N	1	0	329.404	0.426	40	0		ECABRO
NC(=O)[C@@H]1CN(C(=O)Cc2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257264439	244355030	/nfs/dbraw/zinc/35/50/30/244355030.db2.gz	LUJYADSTKNMWBC-HNNXBMFYSA-N	1	0	346.431	0.049	40	0		ECABRO
CC(=O)N1[C@H](C[NH+](C)C)C[C@@H]2CN(C(=O)c3cnc(C)cn3)CC[C@@H]21	ZINC000096185572	203853631	/nfs/dbraw/zinc/85/36/31/203853631.db2.gz	DZJYSCKXLXMPPE-VYDXJSESSA-N	1	0	345.447	0.798	40	0		ECABRO
CN1C[C@H](c2ccccc2)[C@]2(CN(C(=O)C[NH+](C)C)CCO2)C1=O	ZINC000306139607	257923873	/nfs/dbraw/zinc/92/38/73/257923873.db2.gz	TVSFXMJTNRPNRW-CRAIPNDOSA-N	1	0	331.416	0.401	40	0		ECABRO
O=C(C[NH+]1CCCC1)N1CCOC[C@@H](Cc2ccc3nccn3n2)C1	ZINC000257310685	274971496	/nfs/dbraw/zinc/97/14/96/274971496.db2.gz	UGCSEBCTMJQZJJ-HNNXBMFYSA-N	1	0	343.431	0.843	40	0		ECABRO
O=C(c1cnccn1)N1CC[C@@H]2C[N@@H+](C3CCOCC3)CCO[C@@H]2C1	ZINC000096249674	275015524	/nfs/dbraw/zinc/01/55/24/275015524.db2.gz	STMILTHENBIVSF-RHSMWYFYSA-N	1	0	346.431	0.819	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)N(C)CC2=O)CC1	ZINC000040385968	276193700	/nfs/dbraw/zinc/19/37/00/276193700.db2.gz	NGGLQEOLEXTNBM-UHFFFAOYSA-N	1	0	344.415	0.269	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1	ZINC000096062341	280015208	/nfs/dbraw/zinc/01/52/08/280015208.db2.gz	JMNFSMRPPLEUBU-OAHLLOKOSA-N	1	0	332.466	0.539	40	0		ECABRO
C[NH+](C)CCNC(=O)c1ccc(N2CCCCS2(=O)=O)cc1	ZINC000005438396	435989821	/nfs/dbraw/zinc/98/98/21/435989821.db2.gz	LDZDSBQCCCLIEQ-UHFFFAOYSA-N	1	0	325.434	0.908	40	0		ECABRO
O=C(c1cccnc1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC000096183371	436519094	/nfs/dbraw/zinc/51/90/94/436519094.db2.gz	RUFQTTYVETUDSC-LSDHHAIUSA-N	1	0	325.372	0.849	40	0		ECABRO
COCCNC(=O)[C@@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2ccc3c(c2)OCO3)O1	ZINC000096186565	436519671	/nfs/dbraw/zinc/51/96/71/436519671.db2.gz	UIOHAJMCBOHKIT-ZQIUZPCESA-N	1	0	348.399	0.910	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC000096055055	436506988	/nfs/dbraw/zinc/50/69/88/436506988.db2.gz	HSJWUGOIRMKIKJ-GJZGRUSLSA-N	1	0	337.445	0.849	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]CC2CCOCC2)C3)cn1	ZINC000096061025	436508032	/nfs/dbraw/zinc/50/80/32/436508032.db2.gz	RHXMBPXSSLVIKU-CQSZACIVSA-N	1	0	332.408	0.594	40	0		ECABRO
CS(=O)(=O)N1CCC2(C[N@H+](CC3CC3)C[C@@]23CCNC3=O)CC1	ZINC000096243907	436526634	/nfs/dbraw/zinc/52/66/34/436526634.db2.gz	XUTQLMSDTPLFRM-MRXNPFEDSA-N	1	0	341.477	0.260	40	0		ECABRO
C[NH+](C)C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O	ZINC000225518860	436712349	/nfs/dbraw/zinc/71/23/49/436712349.db2.gz	RPCYTYXDVVSNPJ-LZFBMIIGSA-N	1	0	334.363	0.092	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccccc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257338698	436874433	/nfs/dbraw/zinc/87/44/33/436874433.db2.gz	YYOMVBHGBPVOQN-INIZCTEOSA-N	1	0	345.443	0.986	40	0		ECABRO
CCn1cc(C(=O)NC[C@@]2(O)CCCN(c3cc(C)ncn3)C2)cn1	ZINC000257287174	436861412	/nfs/dbraw/zinc/86/14/12/436861412.db2.gz	POVHZVABQHMDDA-KRWDZBQOSA-N	1	0	344.419	0.763	40	0		ECABRO
O=S(=O)(c1cccs1)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257287913	436861529	/nfs/dbraw/zinc/86/15/29/436861529.db2.gz	PRYVMVIJJVIKIY-CYBMUJFWSA-N	1	0	332.447	0.206	40	0		ECABRO
C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1	ZINC000257292266	436863084	/nfs/dbraw/zinc/86/30/84/436863084.db2.gz	QKSPFCGNOJMJQO-AWEZNQCLSA-N	1	0	340.449	0.356	40	0		ECABRO
CC(=O)N1CC[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H](C(N)=O)C1	ZINC000257300311	436866761	/nfs/dbraw/zinc/86/67/61/436866761.db2.gz	RTUNFCDAAKFMMR-AWEZNQCLSA-N	1	0	333.388	0.223	40	0		ECABRO
CCn1cc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(=O)NC)C2)cn1	ZINC000257313239	436870087	/nfs/dbraw/zinc/87/00/87/436870087.db2.gz	URNFQAANSSEVKS-INIZCTEOSA-N	1	0	349.479	0.562	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2	ZINC000306135630	437168079	/nfs/dbraw/zinc/16/80/79/437168079.db2.gz	OWGZBYWLXFWLMT-WDEREUQCSA-N	1	0	344.444	0.931	40	0		ECABRO
O=C(c1ccccc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(CCCO)C2)C1	ZINC000514290157	438811381	/nfs/dbraw/zinc/81/13/81/438811381.db2.gz	UQTRRJHIHIVFQR-IAGOWNOFSA-N	1	0	345.443	0.014	40	0	biogenic,in-vitro	ECABRO
O=C(c1cccnc1)N1C[C@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1	ZINC000514289466	438812595	/nfs/dbraw/zinc/81/25/95/438812595.db2.gz	LMDFCZMRPQNXPL-IAGOWNOFSA-N	1	0	342.443	0.580	40	0	biogenic,in-vitro	ECABRO
CO[C@@H]1COC[C@@H](N(C)C(=O)CC[N@H+](C)Cc2ccccn2)[C@@H]1O	ZINC000585286019	439640701	/nfs/dbraw/zinc/64/07/01/439640701.db2.gz	HNUHITRTBCEACG-INMHGKMJSA-N	1	0	337.420	0.137	40	0		ECABRO
CCN(CC(=O)Nc1ccnn1C(C)C)C[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290423	439641723	/nfs/dbraw/zinc/64/17/23/439641723.db2.gz	CFOFUFPRSWOQQJ-IOASZLSFSA-N	1	0	340.424	0.093	40	0		ECABRO
O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCCC2)C1	ZINC000585289451	439642376	/nfs/dbraw/zinc/64/23/76/439642376.db2.gz	GPNWALYMGREWQZ-WBVHZDCISA-N	1	0	338.835	0.913	40	0		ECABRO
CC(=O)N[C@H]1CC2(CC[NH+](Cc3[nH]cnc3C)CC2)OC[C@]1(C)O	ZINC000257270845	534651106	/nfs/dbraw/zinc/65/11/06/534651106.db2.gz	MVWKSJWALMKQQA-HOTGVXAUSA-N	1	0	336.436	0.729	40	0		ECABRO
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000002560780	545655170	/nfs/dbraw/zinc/65/51/70/545655170.db2.gz	KIHQBNDANGJYBJ-DLBZAZTESA-N	1	0	339.395	0.701	40	0		ECABRO
C[NH+]1CCC(N2C[C@H](O)C[C@H]2c2nc(-c3cnccn3)no2)CC1	ZINC000015674040	282703949	/nfs/dbraw/zinc/70/39/49/282703949.db2.gz	NSIHVUMPBZSCBW-OCCSQVGLSA-N	1	0	330.392	0.729	40	0	biogenic,in-vitro	ECABRO
Cc1nn(C)cc1C[N@H+]1CCCC[C@@H]1CCNS(=O)(=O)N(C)C	ZINC000019749032	202019517	/nfs/dbraw/zinc/01/95/17/202019517.db2.gz	IKBPGOAMEBSOGK-OAHLLOKOSA-N	1	0	343.497	0.869	40	0		ECABRO
O=C(c1ccc(=O)[nH]n1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257231010	244213175	/nfs/dbraw/zinc/21/31/75/244213175.db2.gz	GEUSIZQSCPSCLD-CQSZACIVSA-N	1	0	342.346	0.078	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2cc(C)nc([C@H]3CCC[N@@H+](C)C3)n2)CC1	ZINC000072387213	203212579	/nfs/dbraw/zinc/21/25/79/203212579.db2.gz	BKDOQTRJAGASQX-HNNXBMFYSA-N	1	0	345.447	0.899	40	0		ECABRO
OCC(CO)[NH+]1CCC(c2nccnc2Nc2cnccn2)CC1	ZINC000072363675	203205710	/nfs/dbraw/zinc/20/57/10/203205710.db2.gz	WYNQUVCMJOWNPV-UHFFFAOYSA-N	1	0	330.392	0.543	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccc3ncccc3c2)CC[N@H+](C)C1	ZINC000257260225	244294169	/nfs/dbraw/zinc/29/41/69/244294169.db2.gz	LBWIZHXLSXCZSA-OAHLLOKOSA-N	1	0	326.400	0.985	40	0		ECABRO
O=C(NC[C@]1(O)C[N@@H+](CCc2ccccc2)C[C@H]1O)c1cscn1	ZINC000257254322	244278623	/nfs/dbraw/zinc/27/86/23/244278623.db2.gz	KCOMIQHZAKLKAN-WBVHZDCISA-N	1	0	347.440	0.523	40	0		ECABRO
CC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCC(O)CC1	ZINC000257258756	244291766	/nfs/dbraw/zinc/29/17/66/244291766.db2.gz	KVJXWWHSDAUNML-BDXSIMOUSA-N	1	0	334.416	0.529	40	0		ECABRO
Cc1ccccc1C[N@@H+]1C[C@@H](O)[C@](O)(CNC(=O)c2cscn2)C1	ZINC000257272700	244382584	/nfs/dbraw/zinc/38/25/84/244382584.db2.gz	NDLTZMGMAHKVNG-WBVHZDCISA-N	1	0	347.440	0.789	40	0		ECABRO
CN(Cc1ccc(OCC(=O)NCC[NH+](C)C)cc1)S(C)(=O)=O	ZINC000010111699	211148756	/nfs/dbraw/zinc/14/87/56/211148756.db2.gz	NZLRRKKVXXHAJI-UHFFFAOYSA-N	1	0	343.449	0.135	40	0		ECABRO
Cc1ccc(N2CCC[C@]3(CN(C(=O)C[NH+](C)C)CCO3)C2)nn1	ZINC000096074851	292134405	/nfs/dbraw/zinc/13/44/05/292134405.db2.gz	DOQIGFZMIFLOIQ-QGZVFWFLSA-N	1	0	333.436	0.544	40	0		ECABRO
CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1	ZINC000096036753	273953415	/nfs/dbraw/zinc/95/34/15/273953415.db2.gz	OKADOMNJNCJEOS-HNNXBMFYSA-N	1	0	341.415	0.914	40	0		ECABRO
COCC[N@@H+]1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12	ZINC000096244590	274033051	/nfs/dbraw/zinc/03/30/51/274033051.db2.gz	CONOFHXBNQURFC-GOSISDBHSA-N	1	0	348.447	0.742	40	0		ECABRO
CCCS(=O)(=O)N1CCC2(CC1)COCCN(CC[NH+](C)C)C2	ZINC000096078162	278849969	/nfs/dbraw/zinc/84/99/69/278849969.db2.gz	MOZMUBLFHYSWNA-UHFFFAOYSA-N	1	0	347.525	0.702	40	0		ECABRO
CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000004373351	435981632	/nfs/dbraw/zinc/98/16/32/435981632.db2.gz	FDMVHHVYOGARCF-INWMFGNUSA-N	1	0	349.431	0.854	40	0		ECABRO
CCCC[NH+](CCOCCOCCO)CCOCCOCCO	ZINC000005419595	435989082	/nfs/dbraw/zinc/98/90/82/435989082.db2.gz	PEITZQDQYNFNIF-UHFFFAOYSA-N	1	0	337.457	0.140	40	0		ECABRO
CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1	ZINC000019460485	436108583	/nfs/dbraw/zinc/10/85/83/436108583.db2.gz	RVFFRHRDUAWNFT-YPMHNXCESA-N	1	0	344.415	0.780	40	0		ECABRO
CN(C)C(=O)CNC(=O)c1ccc2ccc(N3CC[NH+](C)CC3)n2c1	ZINC000096155885	436517837	/nfs/dbraw/zinc/51/78/37/436517837.db2.gz	JIHDPCMKXQNCPU-UHFFFAOYSA-N	1	0	343.431	0.509	40	0		ECABRO
Cn1cc(CN2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cn1	ZINC000096197309	436521939	/nfs/dbraw/zinc/52/19/39/436521939.db2.gz	SPMHDFNBHMXYAN-UHFFFAOYSA-N	1	0	329.452	0.380	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@]2(C[C@H](C[N@H+](C)C(C)C)CO2)C1	ZINC000096052001	436505862	/nfs/dbraw/zinc/50/58/62/436505862.db2.gz	SIZHIPXARBTAOB-CABCVRRESA-N	1	0	334.482	0.784	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccccn1)CCC2	ZINC000096084347	436511666	/nfs/dbraw/zinc/51/16/66/436511666.db2.gz	DMERLCOOACXTEP-UHFFFAOYSA-N	1	0	344.419	0.797	40	0		ECABRO
CN1CCN(Cc2cccnc2)[C@]2(CC[N@@H+](C3CCOCC3)C2)C1=O	ZINC000096229608	436526362	/nfs/dbraw/zinc/52/63/62/436526362.db2.gz	DOFLDLJWDYJDCW-IBGZPJMESA-N	1	0	344.459	0.979	40	0		ECABRO
C[NH+](C)CCN1C(=O)CC2(CCN(C(=O)c3ccccn3)CC2)C1=O	ZINC000096268239	436530311	/nfs/dbraw/zinc/53/03/11/436530311.db2.gz	DCZHXIKMPQCYBB-UHFFFAOYSA-N	1	0	344.415	0.625	40	0		ECABRO
CNc1nccnc1C[C@@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1	ZINC000257335235	436874316	/nfs/dbraw/zinc/87/43/16/436874316.db2.gz	YJGQYXGWADLQDB-AWEZNQCLSA-N	1	0	333.436	0.632	40	0		ECABRO
CN(C(=O)CCCC[NH3+])[C@@H]1CC[C@H](n2cnc3c2ncnc3N)[C@H]1O	ZINC000257216254	436859982	/nfs/dbraw/zinc/85/99/82/436859982.db2.gz	CTSGWLPXPZHHTM-SUNKGSAMSA-N	1	0	347.423	0.060	40	0		ECABRO
CNC(=O)c1cccc([C@@H]2C[N@H+](CC3(O)CCOCC3)CCN2C)c1	ZINC000257294170	436864377	/nfs/dbraw/zinc/86/43/77/436864377.db2.gz	QSWUVSORMOBICR-KRWDZBQOSA-N	1	0	347.459	0.876	40	0		ECABRO
C[N@H+](CC(=O)NC[C@]1(O)CCN(c2cnccn2)C1)C1CCCC1	ZINC000257302101	436866093	/nfs/dbraw/zinc/86/60/93/436866093.db2.gz	SBNVHWKUZHYDCG-QGZVFWFLSA-N	1	0	333.436	0.408	40	0		ECABRO
C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2ccc(=O)[nH]n2)C[C@H]1O	ZINC000257310713	436868147	/nfs/dbraw/zinc/86/81/47/436868147.db2.gz	UGFIXSUTSUCGRV-HUUCEWRRSA-N	1	0	346.362	0.226	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CC[N@H+](C)C1	ZINC000257318820	436869693	/nfs/dbraw/zinc/86/96/93/436869693.db2.gz	VPNBSLGIXPGFSE-KRWDZBQOSA-N	1	0	329.444	0.854	40	0		ECABRO
Cn1ccc(C(=O)N2C[C@@H](O)[C@H]([N@H+](C)Cc3ccc(F)cc3)C2)n1	ZINC000257327371	436871822	/nfs/dbraw/zinc/87/18/22/436871822.db2.gz	XBBXROIKRPOTKS-HZPDHXFCSA-N	1	0	332.379	0.877	40	0		ECABRO
Cc1nc(C)c(CC(=O)N2CCC[C@](O)(C[NH+](C)C)CC2)c(=O)[nH]1	ZINC000257332264	436873350	/nfs/dbraw/zinc/87/33/50/436873350.db2.gz	XWMBUOGVMKEMBR-QGZVFWFLSA-N	1	0	336.436	0.647	40	0		ECABRO
Cc1cc(C)n2ncc(CN3CC[N@H+](C)C[C@H](C(=O)N(C)C)C3)c2n1	ZINC000257343516	436877338	/nfs/dbraw/zinc/87/73/38/436877338.db2.gz	ZTIBQHPELHGRMU-INIZCTEOSA-N	1	0	344.463	0.798	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3Cn4c(nnc4C(=O)NC4CC4)C[C@@H]3C2)cn1	ZINC000306127187	437165231	/nfs/dbraw/zinc/16/52/31/437165231.db2.gz	FRDNXLVOVZZFPV-CHWSQXEVSA-N	1	0	341.419	0.208	40	0		ECABRO
C[C@H]1[C@H](CC[NH+](C)C)COCCN1S(=O)(=O)c1cn(C)cn1	ZINC000306138147	437167088	/nfs/dbraw/zinc/16/70/88/437167088.db2.gz	RQNAYQWLWMRKEL-QWHCGFSZSA-N	1	0	330.454	0.397	40	0		ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2C[C@H](CCNc2ncccn2)C1	ZINC000306134966	437168200	/nfs/dbraw/zinc/16/82/00/437168200.db2.gz	OCWCOKUIGRDQOI-CQSZACIVSA-N	1	0	343.435	0.695	40	0		ECABRO
OCCCNc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329018366	437303855	/nfs/dbraw/zinc/30/38/55/437303855.db2.gz	NQXOITZOAWQOOO-UHFFFAOYSA-N	1	0	347.385	0.935	40	0		ECABRO
CC(C)C[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1	ZINC000514290117	438813626	/nfs/dbraw/zinc/81/36/26/438813626.db2.gz	TYRQTSMEYJYFOH-DLBZAZTESA-N	1	0	344.459	0.683	40	0	biogenic,in-vitro	ECABRO
CC(C)[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)NCc3cccnc3)O[C@@H]2[C@@H]1O	ZINC000604381998	439313263	/nfs/dbraw/zinc/31/32/63/439313263.db2.gz	YGIMXAMPGDFVLN-GRLWTPEZSA-N	1	0	349.431	0.372	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1C[C@H](COCC2CC2)CC12CN(C(=O)c1cc(=O)[nH]cn1)C2	ZINC000585093728	439628487	/nfs/dbraw/zinc/62/84/87/439628487.db2.gz	ARSZOWYSLWNEKC-CYBMUJFWSA-N	1	0	332.404	0.755	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000585182338	439635223	/nfs/dbraw/zinc/63/52/23/439635223.db2.gz	QSDCPEGMHHFWIF-OAHLLOKOSA-N	1	0	347.463	0.478	40	0		ECABRO
CC1(C)C=C(CC(=O)NC[C@@H]2COC[C@@H](O)[C@H]2O)CC(C)(C)[NH2+]1	ZINC000585283691	439640714	/nfs/dbraw/zinc/64/07/14/439640714.db2.gz	CUDBBENBTBGTCP-NFAWXSAZSA-N	1	0	326.437	0.338	40	0		ECABRO
CNC(=O)c1c[nH]nc1[C@H]1CC[N@H+](Cc2cnn3cccnc23)C1	ZINC000257275118	536438589	/nfs/dbraw/zinc/43/85/89/536438589.db2.gz	NNYZJKWUYRKBKN-NSHDSACASA-N	1	0	325.376	0.802	40	0		ECABRO
C[N@@H+]1CC[C@@H](c2nc(CNC(=O)CN3CCCCCC3=O)c[nH]2)C1	ZINC000257246183	536460086	/nfs/dbraw/zinc/46/00/86/536460086.db2.gz	ISXJMZHNPDKRBR-CYBMUJFWSA-N	1	0	333.436	0.848	40	0		ECABRO
C[NH+](C)CCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O	ZINC000224454018	564042879	/nfs/dbraw/zinc/04/28/79/564042879.db2.gz	RTKSTDWWDZQSRM-UHFFFAOYSA-N	1	0	331.413	0.265	40	0		ECABRO
CC(=O)N1CCC(O)(C[NH+]2CCC(C)(c3nncn3C)CC2)CC1	ZINC000257208763	244142867	/nfs/dbraw/zinc/14/28/67/244142867.db2.gz	BNMSXSUUAZMVSJ-UHFFFAOYSA-N	1	0	335.452	0.542	40	0		ECABRO
Cc1cc(N)cc([C@@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)[nH+]1	ZINC000257230235	244211488	/nfs/dbraw/zinc/21/14/88/244211488.db2.gz	GBJWIKILHJITII-AWEZNQCLSA-N	1	0	330.392	0.899	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC[C@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1	ZINC000072380488	203210204	/nfs/dbraw/zinc/21/02/04/203210204.db2.gz	TYRVCROLBOLQLD-ZDUSSCGKSA-N	1	0	349.435	0.150	40	0		ECABRO
Cc1nc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)N(C)C	ZINC000072345567	203203291	/nfs/dbraw/zinc/20/32/91/203203291.db2.gz	IQJPGRBNPMWDCZ-CYBMUJFWSA-N	1	0	333.436	0.754	40	0		ECABRO
Cc1cc(NCC[NH+](C)C)nc([C@@H]2CCCN2S(C)(=O)=O)n1	ZINC000072365009	203205863	/nfs/dbraw/zinc/20/58/63/203205863.db2.gz	UUGXYKGZWGWCSG-LBPRGKRZSA-N	1	0	327.454	0.855	40	0		ECABRO
CN(C)c1cc(C[C@H]2CN(c3cnccn3)CC[N@H+](C)C2)ncn1	ZINC000072378182	203208692	/nfs/dbraw/zinc/20/86/92/203208692.db2.gz	KCVCIAZLYPLPBR-CQSZACIVSA-N	1	0	327.436	0.943	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccnnc3)CC2)OC[C@]1(C)O	ZINC000257261522	244351038	/nfs/dbraw/zinc/35/10/38/244351038.db2.gz	LHSBAGPCPZFMCL-HOCLYGCPSA-N	1	0	334.420	0.553	40	0		ECABRO
CN1[C@H](C(=O)N2CCN(C)CC2)C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]21	ZINC000248115506	277215577	/nfs/dbraw/zinc/21/55/77/277215577.db2.gz	IMGSVHYDFYZRGP-BHYGNILZSA-N	1	0	332.448	0.558	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cn(C)c3ccccc23)CC[N@H+](C)C1	ZINC000257338002	277253449	/nfs/dbraw/zinc/25/34/49/277253449.db2.gz	YVKACQMPPNUYRZ-ZDUSSCGKSA-N	1	0	328.416	0.928	40	0		ECABRO
COc1cc2c(cc1OC)[C@@H]1C[C@@](CC(N)=O)(C(N)=O)CC[N@@H+]1CC2	ZINC000005766723	277394608	/nfs/dbraw/zinc/39/46/08/277394608.db2.gz	ZYLDOXRRCGMALP-UGSOOPFHSA-N	1	0	347.415	0.744	40	0		ECABRO
CC(=O)N1CC[N@H+](CCCOc2ccccc2F)C[C@H](C(N)=O)C1	ZINC000257272933	278040886	/nfs/dbraw/zinc/04/08/86/278040886.db2.gz	NELFWYMBLHATDS-AWEZNQCLSA-N	1	0	337.395	0.860	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccoc1)C2	ZINC000096045446	289170797	/nfs/dbraw/zinc/17/07/97/289170797.db2.gz	SYSOQMKAQYPDGG-CYBMUJFWSA-N	1	0	333.392	0.726	40	0		ECABRO
O=C1N=C(NCN2CCCCC2)S[C@@]1(CO)C[NH+]1CCCCC1	ZINC000006760975	436003055	/nfs/dbraw/zinc/00/30/55/436003055.db2.gz	SXPYOYCBXCAXHO-MRXNPFEDSA-N	1	0	340.493	0.866	40	0		ECABRO
C[NH+](C)CCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000010111644	436037134	/nfs/dbraw/zinc/03/71/34/436037134.db2.gz	FLMOUTDAXGGNAG-UHFFFAOYSA-N	1	0	335.376	0.409	40	0		ECABRO
C[NH+](C)CCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O	ZINC000013672280	436064730	/nfs/dbraw/zinc/06/47/30/436064730.db2.gz	WHLWVSSLCXYSKA-UHFFFAOYSA-N	1	0	331.413	0.660	40	0		ECABRO
COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCC(N)=O	ZINC000022075766	436117492	/nfs/dbraw/zinc/11/74/92/436117492.db2.gz	GTYDLVVASGVAEK-JTQLQIEISA-N	1	0	345.827	0.273	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccco3)C2)cn1	ZINC000096108446	436513963	/nfs/dbraw/zinc/51/39/63/436513963.db2.gz	BYDOYDGSEBLAOE-PBHICJAKSA-N	1	0	330.388	0.892	40	0		ECABRO
O=S(=O)(NC[C@]12COC[C@H]1C[N@H+](Cc1ccco1)C2)C1CC1	ZINC000096208755	436523021	/nfs/dbraw/zinc/52/30/21/436523021.db2.gz	AMQWTVHZWMMFLT-DOMZBBRYSA-N	1	0	326.418	0.810	40	0		ECABRO
O=C(c1ccnnc1)N1CCOC[C@]2(CC[C@@H](C[NH+]3CCCC3)O2)C1	ZINC000096160283	436517462	/nfs/dbraw/zinc/51/74/62/436517462.db2.gz	QTKKXSGBEKJXKG-WMZOPIPTSA-N	1	0	346.431	0.963	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)[C@@H]1CCOC1)CC2	ZINC000096196658	436521583	/nfs/dbraw/zinc/52/15/83/436521583.db2.gz	QZSAZJHBQXJMCU-OAHLLOKOSA-N	1	0	333.432	0.374	40	0		ECABRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2ccco2)CC3)CC1	ZINC000096197313	436521902	/nfs/dbraw/zinc/52/19/02/436521902.db2.gz	APKNTOSPSYPVPD-UHFFFAOYSA-N	1	0	329.404	0.880	40	0		ECABRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1	ZINC000096049482	436506453	/nfs/dbraw/zinc/50/64/53/436506453.db2.gz	YSPOVZOJQZULLV-QGZVFWFLSA-N	1	0	335.452	0.081	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cn1	ZINC000096052212	436507198	/nfs/dbraw/zinc/50/71/98/436507198.db2.gz	QDZPUIQJLMDVEU-INIZCTEOSA-N	1	0	348.447	0.508	40	0		ECABRO
COCCn1cc2c(n1)[C@H](CNC(=O)C1CC[NH+](C)CC1)OCC2	ZINC000096068167	436510599	/nfs/dbraw/zinc/51/05/99/436510599.db2.gz	RZURJRREINBVTG-HNNXBMFYSA-N	1	0	336.436	0.601	40	0		ECABRO
CNC(=O)C[NH+]1CCC2(CCCN(C(=O)c3ccn(C)n3)C2)CC1	ZINC000096071816	436510832	/nfs/dbraw/zinc/51/08/32/436510832.db2.gz	RFGALCDXMGCJOZ-UHFFFAOYSA-N	1	0	333.436	0.484	40	0		ECABRO
COc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+](C)CCO[C@@H]3C2)cc1	ZINC000096107931	436512086	/nfs/dbraw/zinc/51/20/86/436512086.db2.gz	ZRWPKHREEWJDHR-SWLSCSKDSA-N	1	0	326.418	0.646	40	0		ECABRO
C[C@H]1N(CC[NH+](C)C)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2	ZINC000096201536	436523880	/nfs/dbraw/zinc/52/38/80/436523880.db2.gz	ZCPDXXTXIYKNNV-CQSZACIVSA-N	1	0	348.447	0.798	40	0		ECABRO
COCC(=O)NCC[C@@]12CCO[C@@H]1CC[N@@H+](C1CCOCC1)C2	ZINC000096209643	436525468	/nfs/dbraw/zinc/52/54/68/436525468.db2.gz	VCTAVFXQJTZCHG-WBVHZDCISA-N	1	0	326.437	0.799	40	0		ECABRO
O=C(c1cc[nH]n1)N1CC[C@@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1	ZINC000096249366	436528431	/nfs/dbraw/zinc/52/84/31/436528431.db2.gz	UXSRZGKLEXRRDU-IRXDYDNUSA-N	1	0	347.463	0.811	40	0		ECABRO
O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccncc3)C[C@H]12)c1cnccn1	ZINC000247446741	436794690	/nfs/dbraw/zinc/79/46/90/436794690.db2.gz	YQQHPDAFLCYJNK-BFYDXBDKSA-N	1	0	339.399	0.748	40	0		ECABRO
CN(C)C(=O)COC[C@H]1C[N@H+](CC2CCOCC2)Cc2cncn21	ZINC000248030366	436799649	/nfs/dbraw/zinc/79/96/49/436799649.db2.gz	SVMVUPASCLYZIT-MRXNPFEDSA-N	1	0	336.436	0.771	40	0		ECABRO
Cn1ccnc1CN1CCOC[C@]2(CC[C@H](CN3CCCC3=O)O2)C1	ZINC000248154499	436801231	/nfs/dbraw/zinc/80/12/31/436801231.db2.gz	VEMBMSLBYKVDGA-QAPCUYQASA-N	1	0	348.447	0.793	40	0		ECABRO
Cc1ncsc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257341756	436874328	/nfs/dbraw/zinc/87/43/28/436874328.db2.gz	ZLWLOWVWAKEAJZ-CYBMUJFWSA-N	1	0	338.477	0.850	40	0		ECABRO
CN(C[C@@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)CCC[NH3+]	ZINC000257291652	436863022	/nfs/dbraw/zinc/86/30/22/436863022.db2.gz	QHZVFSTYQFPCPZ-SFHVURJKSA-N	1	0	343.431	0.768	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3ccnc(C)n3)CC2)OC[C@]1(C)O	ZINC000257291292	436863909	/nfs/dbraw/zinc/86/39/09/436863909.db2.gz	QGJKSZSYCQWAGR-HOCLYGCPSA-N	1	0	334.420	0.519	40	0		ECABRO
Cc1cc(C(=O)N2CCC[C@@](O)(C[NH+]3CCOCC3)CC2)nc(N)n1	ZINC000257305013	436865322	/nfs/dbraw/zinc/86/53/22/436865322.db2.gz	SOCHSKLGNFELDS-KRWDZBQOSA-N	1	0	349.435	0.057	40	0		ECABRO
C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)C[C@H]1NC(=O)c1cnccn1	ZINC000257308241	436868051	/nfs/dbraw/zinc/86/80/51/436868051.db2.gz	TVYZBIARUKGZSS-SIXLDLHFSA-N	1	0	342.399	0.717	40	0		ECABRO
C[C@@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000329064661	437311854	/nfs/dbraw/zinc/31/18/54/437311854.db2.gz	XKZPCPITECWTRZ-GXTWGEPZSA-N	1	0	329.404	0.766	40	0		ECABRO
C[C@]1(N(CC[NH3+])S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1	ZINC000575426528	438749229	/nfs/dbraw/zinc/74/92/29/438749229.db2.gz	UWSSIDPNSNHMRL-ZDUSSCGKSA-N	1	0	332.447	0.213	40	0		ECABRO
CC(C)C[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3cccnc3)C2)C1	ZINC000514290120	438812236	/nfs/dbraw/zinc/81/22/36/438812236.db2.gz	TYRQTSMEYJYFOH-IAGOWNOFSA-N	1	0	344.459	0.683	40	0	biogenic,in-vitro	ECABRO
O=C(N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1)C1(F)CCC1	ZINC000585107718	439629413	/nfs/dbraw/zinc/62/94/13/439629413.db2.gz	CUZFDSTXBXQJJO-CABCVRRESA-N	1	0	325.428	0.886	40	0		ECABRO
CNc1ncc(C[N@@H+]2CCC[C@@](CCC(=O)N(C)C)(OC)C2)cn1	ZINC000585278158	439638844	/nfs/dbraw/zinc/63/88/44/439638844.db2.gz	QYZZNKDUBBKEIX-KRWDZBQOSA-N	1	0	335.452	1.368	40	0		ECABRO
CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@@H+]2CC1(O)CCN(C(C)=O)CC1	ZINC000585282172	439640470	/nfs/dbraw/zinc/64/04/70/439640470.db2.gz	BJCQLDRLLMOWOI-IAGOWNOFSA-N	1	0	337.464	0.835	40	0		ECABRO
CN(Cc1cncn1Cc1ccccc1)C[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290293	439640986	/nfs/dbraw/zinc/64/09/86/439640986.db2.gz	AZHIVIOOPURCEC-NXHRZFHOSA-N	1	0	331.416	0.731	40	0		ECABRO
O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000585290853	439641371	/nfs/dbraw/zinc/64/13/71/439641371.db2.gz	IEAIPDVGNAYNIL-FZLWJKSKSA-N	1	0	337.464	0.369	40	0		ECABRO
COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2cccnc2=O)cc1	ZINC000257277529	536945124	/nfs/dbraw/zinc/94/51/24/536945124.db2.gz	NYHKDZSSADAOLL-OAHLLOKOSA-N	1	0	328.372	0.425	40	0		ECABRO
C[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC[NH+](C)C	ZINC000224903953	564043922	/nfs/dbraw/zinc/04/39/22/564043922.db2.gz	ANIFKGJFWXTHJH-LBPRGKRZSA-N	1	0	343.449	0.528	40	0		ECABRO
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)NCCC[NH+]2CCCC2)C1	ZINC000020049721	202030233	/nfs/dbraw/zinc/03/02/33/202030233.db2.gz	HWJAHVHOYCXQQS-AWEZNQCLSA-N	1	0	346.497	0.107	40	0		ECABRO
CCOC(=O)[C@@H]1CCC[N@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781521	202276475	/nfs/dbraw/zinc/27/64/75/202276475.db2.gz	OUCUGSVEWPYBKR-ZHZXCYKASA-N	1	0	329.393	0.499	40	0		ECABRO
CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])COC	ZINC000218145890	241302273	/nfs/dbraw/zinc/30/22/73/241302273.db2.gz	LLXSNSPNPDJJQN-RRFJBIMHSA-N	1	0	327.402	0.907	40	0		ECABRO
CC(C)[NH2+]C[C@H](O)COc1cccc2c1OC[C@@H](O[N+](=O)[O-])C2	ZINC000005442135	201651661	/nfs/dbraw/zinc/65/16/61/201651661.db2.gz	OMCPLEZZPVJJIS-STQMWFEESA-N	1	0	326.349	0.936	40	0	world	ECABRO
CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccnc(N2CCCC2)c1	ZINC000257202967	244123329	/nfs/dbraw/zinc/12/33/29/244123329.db2.gz	AOBXGWHVCRFIJV-KGLIPLIRSA-N	1	0	331.420	0.088	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257225820	244198629	/nfs/dbraw/zinc/19/86/29/244198629.db2.gz	FHYYUUOXFJJDPQ-CQSZACIVSA-N	1	0	333.436	0.135	40	0		ECABRO
CNc1nc([C@@H]2CCN(C(=O)C[NH+](C)C)C2)nc2c1CCN(C)C2	ZINC000072376518	203209595	/nfs/dbraw/zinc/20/95/95/203209595.db2.gz	RNDDCLNWDUGNLZ-GFCCVEGCSA-N	1	0	332.452	0.384	40	0		ECABRO
Cc1nc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](C(CO)CO)C2)n1	ZINC000072363680	203206454	/nfs/dbraw/zinc/20/64/54/203206454.db2.gz	NHGMTZNRXGURNY-CYBMUJFWSA-N	1	0	344.419	0.851	40	0		ECABRO
Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)n1	ZINC000107208034	204228315	/nfs/dbraw/zinc/22/83/15/204228315.db2.gz	VZMAEOGKCVKJIH-FVQBIDKESA-N	1	0	339.461	0.776	40	0		ECABRO
CC1(C)CN(S(C)(=O)=O)C[C@@H]2C[N@@H+](C3CCOCC3)CCN21	ZINC000253394150	278340001	/nfs/dbraw/zinc/34/00/01/278340001.db2.gz	ALRLNVUEUUULSJ-AWEZNQCLSA-N	1	0	331.482	0.205	40	0	biogenic,in-vitro	ECABRO
CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]Cc1ccncc1)OCC2	ZINC000096059735	288973085	/nfs/dbraw/zinc/97/30/85/288973085.db2.gz	WMTTYQYFQFTFLI-OAHLLOKOSA-N	1	0	329.404	0.770	40	0		ECABRO
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CC[NH3+]	ZINC000257280552	289753971	/nfs/dbraw/zinc/75/39/71/289753971.db2.gz	OLIUZNFOXDFJPF-GOSISDBHSA-N	1	0	343.431	0.768	40	0		ECABRO
O=S(=O)(c1cncc(Cl)c1N1CC[NH2+]CC1)N1CCCC1	ZINC000072210755	436035775	/nfs/dbraw/zinc/03/57/75/436035775.db2.gz	ORDCJQMJSVZOAJ-UHFFFAOYSA-N	1	0	330.841	0.929	40	0		ECABRO
COc1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000013646497	436065672	/nfs/dbraw/zinc/06/56/72/436065672.db2.gz	XDGRFVAFIVRSFA-UHFFFAOYSA-N	1	0	329.422	0.139	40	0		ECABRO
CN1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)c2ccco2)CC1	ZINC000022926946	436122789	/nfs/dbraw/zinc/12/27/89/436122789.db2.gz	IGSCSJMEIQTNMZ-YESZJQIVSA-N	1	0	346.475	0.967	40	0	biogenic,in-vitro	ECABRO
O=S1(=O)CC[C@@H]([NH2+]CCCCCO[C@H]2CCS(=O)(=O)C2)C1	ZINC000040177509	436261499	/nfs/dbraw/zinc/26/14/99/436261499.db2.gz	DWSCIUVDGYPMSM-OLZOCXBDSA-N	1	0	339.479	0.137	40	0		ECABRO
Cc1cnc(CNC(=O)[C@H]2C[C@H]3[C@H](CC[N@@H+]3C3CCOCC3)O2)cn1	ZINC000096183741	436519490	/nfs/dbraw/zinc/51/94/90/436519490.db2.gz	FDGJCCNJWUNFRF-YESZJQIVSA-N	1	0	346.431	0.812	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)cn1	ZINC000096057228	436506367	/nfs/dbraw/zinc/50/63/67/436506367.db2.gz	AHQDJCKKXAKPMK-ZACQAIPSSA-N	1	0	348.447	0.363	40	0		ECABRO
CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]2N1C(C)=O	ZINC000096054249	436506538	/nfs/dbraw/zinc/50/65/38/436506538.db2.gz	DOSJHXXCZYRHLX-BHYGNILZSA-N	1	0	331.416	0.862	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@@H]3O[C@@H](C(=O)NCC4CCOCC4)C[C@@H]32)cn1	ZINC000096063810	436507721	/nfs/dbraw/zinc/50/77/21/436507721.db2.gz	QBXZTSHGBWMYJP-YESZJQIVSA-N	1	0	348.447	0.695	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2ccncc2)C3)cn1	ZINC000096061022	436509144	/nfs/dbraw/zinc/50/91/44/436509144.db2.gz	HLUCSMXXCTZOAS-AWEZNQCLSA-N	1	0	325.376	0.762	40	0		ECABRO
Cn1cc(CN2Cc3nnn(C)c3[C@H](COCC[NH+](C)C)C2)cn1	ZINC000096060660	436509165	/nfs/dbraw/zinc/50/91/65/436509165.db2.gz	TZJAQIBGFFZALY-AWEZNQCLSA-N	1	0	333.440	0.226	40	0		ECABRO
Cn1cc(CN2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)cn1	ZINC000108531298	436618783	/nfs/dbraw/zinc/61/87/83/436618783.db2.gz	OZGKRCGHQIBZOM-GJZGRUSLSA-N	1	0	340.449	0.187	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2cccs2)C[C@H]1O)c1cnccn1	ZINC000257278791	436861573	/nfs/dbraw/zinc/86/15/73/436861573.db2.gz	ODRKJKGYVHFDSK-GDBMZVCRSA-N	1	0	348.428	0.266	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)Cc3cccs3)CC[C@@H]2O)CC1	ZINC000257283165	436861951	/nfs/dbraw/zinc/86/19/51/436861951.db2.gz	OWZWRYKOVBJZCF-HOTGVXAUSA-N	1	0	337.489	0.890	40	0		ECABRO
CN(C(=O)Cn1cc(Cl)cn1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257263421	436862041	/nfs/dbraw/zinc/86/20/41/436862041.db2.gz	LPWFGXOXYRQOEA-UMVBOHGHSA-N	1	0	326.828	0.983	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cccc3c2OCCO3)CC[N@H+](C)C1	ZINC000257298121	436866403	/nfs/dbraw/zinc/86/64/03/436866403.db2.gz	RKGJVKSSKKFMJK-GFCCVEGCSA-N	1	0	333.388	0.208	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cn3cc(C)ccc3n2)CC[N@H+](C)C1	ZINC000257297820	436866849	/nfs/dbraw/zinc/86/68/49/436866849.db2.gz	RIXKUMSKPISNLN-ZDUSSCGKSA-N	1	0	329.404	0.393	40	0		ECABRO
Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)cc1	ZINC000257319494	436870273	/nfs/dbraw/zinc/87/02/73/436870273.db2.gz	VSVBXCLMSRMXQV-WBVHZDCISA-N	1	0	347.440	0.789	40	0		ECABRO
Cc1ncncc1C(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1	ZINC000257313259	436871249	/nfs/dbraw/zinc/87/12/49/436871249.db2.gz	UROMSJLOUMBIMC-IRXDYDNUSA-N	1	0	348.447	0.861	40	0		ECABRO
Cc1ncc(C[NH+](C)C)c([C@@H]2CCCN2CC(=O)N2CCOCC2)n1	ZINC000257325176	436872777	/nfs/dbraw/zinc/87/27/77/436872777.db2.gz	WRUIKKCICVAHHA-INIZCTEOSA-N	1	0	347.463	0.842	40	0		ECABRO
NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCCC[NH3+])C[C@H]2O)c1	ZINC000257335229	436874048	/nfs/dbraw/zinc/87/40/48/436874048.db2.gz	YJFGWCGSPAUINM-HZPDHXFCSA-N	1	0	344.415	0.613	40	0		ECABRO
C[C@]1(C(=O)N2CCOCC2)C[N@H+](CC2(O)CCCCC2)CCO1	ZINC000257339331	436875642	/nfs/dbraw/zinc/87/56/42/436875642.db2.gz	ZBGPJYZOHHZOIE-MRXNPFEDSA-N	1	0	326.437	0.631	40	0		ECABRO
[NH3+]CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@H]12	ZINC000002558839	303374927	/nfs/dbraw/zinc/37/49/27/303374927.db2.gz	CCSGGWGTGOLEHK-SCRDCRAPSA-N	1	0	328.482	0.957	40	0	in-vitro	ECABRO
Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@]32CC[N@@H+](C)C2)cs1	ZINC000306140949	437167685	/nfs/dbraw/zinc/16/76/85/437167685.db2.gz	VHMLEAXJHLYCJE-HNNXBMFYSA-N	1	0	333.417	0.195	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2	ZINC000306133916	437168371	/nfs/dbraw/zinc/16/83/71/437168371.db2.gz	MZDYBZHJDJCCFF-KBPBESRZSA-N	1	0	338.415	0.870	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@H](C[NH+]2CCCC2)C1	ZINC000306142538	437168524	/nfs/dbraw/zinc/16/85/24/437168524.db2.gz	XCMFELGREQPSKP-CYBMUJFWSA-N	1	0	327.454	0.217	40	0		ECABRO
CCNc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(C)[nH+]1	ZINC000329008516	437303192	/nfs/dbraw/zinc/30/31/92/437303192.db2.gz	LRUSDKNPTYWYMM-UHFFFAOYSA-N	1	0	347.444	1.427	40	0		ECABRO
CNC(=O)[C@H]1COC2(C[NH+](CC3CCOCC3)C2)CN1CC1CC1	ZINC000585109445	439630976	/nfs/dbraw/zinc/63/09/76/439630976.db2.gz	PJTIZAFDEARQTD-MRXNPFEDSA-N	1	0	337.464	0.324	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)C1(F)CCC1)CCC2	ZINC000585110540	439631087	/nfs/dbraw/zinc/63/10/87/439631087.db2.gz	IOFZCZQNVTXEAS-UHFFFAOYSA-N	1	0	339.415	0.981	40	0		ECABRO
Cc1noc(CC(=O)N2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)n1	ZINC000585108303	439631338	/nfs/dbraw/zinc/63/13/38/439631338.db2.gz	WELDTLOSHLPBHH-HUUCEWRRSA-N	1	0	334.420	0.880	40	0		ECABRO
CNc1ncc(C[N@@H+]2CCC[C@](CCC(=O)N(C)C)(OC)C2)cn1	ZINC000585278159	439638621	/nfs/dbraw/zinc/63/86/21/439638621.db2.gz	QYZZNKDUBBKEIX-QGZVFWFLSA-N	1	0	335.452	1.368	40	0		ECABRO
COC[C@@H]1C[N@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[nH]cn3)C2)C1	ZINC000585093843	439627537	/nfs/dbraw/zinc/62/75/37/439627537.db2.gz	IWLSRLLDHPMOJA-ZDUSSCGKSA-N	1	0	332.404	0.755	40	0		ECABRO
Cc1cc(CN2CC3(C2)C[C@H](COCC(=O)N(C)C)C[N@@H+]3C)n(C)n1	ZINC000585093800	439627857	/nfs/dbraw/zinc/62/78/57/439627857.db2.gz	GLUOBIMGPSLOTN-HNNXBMFYSA-N	1	0	349.479	0.339	40	0		ECABRO
C[NH+](C)Cc1nccnc1C1CCN(CC(=O)N2CCOCC2)CC1	ZINC000257249602	536064152	/nfs/dbraw/zinc/06/41/52/536064152.db2.gz	JJAVMZCERHXHDE-UHFFFAOYSA-N	1	0	347.463	0.576	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)Cc2cc(C)ccc2OC)CC[N@H+](C)C1	ZINC000257250430	536398798	/nfs/dbraw/zinc/39/87/98/536398798.db2.gz	JMMPMCFPYHJPFR-HNNXBMFYSA-N	1	0	333.432	0.682	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@H]2CCOC2)C1	ZINC000096188995	282109186	/nfs/dbraw/zinc/10/91/86/282109186.db2.gz	VKJIHZGHDXJXAO-CABCVRRESA-N	1	0	336.436	0.456	40	0		ECABRO
COc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)NC(C)C)[C@H]2O)cc1	ZINC000077264883	202390983	/nfs/dbraw/zinc/39/09/83/202390983.db2.gz	RQFHBVUMSLKMRH-OAGGEKHMSA-N	1	0	337.420	0.621	40	0	biogenic,in-vitro	ECABRO
O=C(c1ccc(-n2cccn2)nc1)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257205345	244133364	/nfs/dbraw/zinc/13/33/64/244133364.db2.gz	AYPMXNREVQGZOA-SFHVURJKSA-N	1	0	341.415	0.940	40	0		ECABRO
Cc1cc(N2CC[C@](O)(CN(C)C(=O)CC[NH3+])C2)c2cnccc2n1	ZINC000257216244	244165827	/nfs/dbraw/zinc/16/58/27/244165827.db2.gz	CTRKGYIOJCUFNQ-SFHVURJKSA-N	1	0	343.431	0.687	40	0		ECABRO
O=C(CN1CCCCCC1=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257225956	244201261	/nfs/dbraw/zinc/20/12/61/244201261.db2.gz	FIOURFUJFKVQMW-IIDMSEBBSA-N	1	0	337.464	0.883	40	0		ECABRO
CCS(=O)(=O)N1CC[C@@](O)(C[N@H+](C)Cc2ccc(OC)cc2)C1	ZINC000257245187	244256178	/nfs/dbraw/zinc/25/61/78/244256178.db2.gz	IOKUJOQRIBUDJO-MRXNPFEDSA-N	1	0	342.461	0.914	40	0		ECABRO
COCCC(=O)NCCn1nc([C@@H]2CC[N@H+](C)C2)c2nccnc21	ZINC000072391659	203213847	/nfs/dbraw/zinc/21/38/47/203213847.db2.gz	NCQTUAVAZCAUEI-GFCCVEGCSA-N	1	0	332.408	0.398	40	0		ECABRO
Cn1cc(-c2cc(C(=O)N3CC[C@](O)(C[NH+]4CCCC4)C3)no2)cn1	ZINC000257268652	244370398	/nfs/dbraw/zinc/37/03/98/244370398.db2.gz	MMOYVXVCIDWUIU-KRWDZBQOSA-N	1	0	345.403	0.748	40	0		ECABRO
CCCn1cc(Cl)c(C(=O)N2CC[N@H+](C)C[C@H](C(N)=O)C2)n1	ZINC000257262384	244349133	/nfs/dbraw/zinc/34/91/33/244349133.db2.gz	LLENNRKHTSEEOH-JTQLQIEISA-N	1	0	327.816	0.436	40	0		ECABRO
NC(=O)[C@H]1CN(C(=O)Cc2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257264440	244355247	/nfs/dbraw/zinc/35/52/47/244355247.db2.gz	LUJYADSTKNMWBC-OAHLLOKOSA-N	1	0	346.431	0.049	40	0		ECABRO
CC(=O)Nc1ccc(N2C(=O)C[C@@H](N3CCC[N@@H+](C)CC3)C2=O)cc1	ZINC000019929964	212085859	/nfs/dbraw/zinc/08/58/59/212085859.db2.gz	AVEGWBUGBHQHEH-MRXNPFEDSA-N	1	0	344.415	0.914	40	0		ECABRO
CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC000107746789	204246589	/nfs/dbraw/zinc/24/65/89/204246589.db2.gz	WHKCDYYDWIYUNT-CABCVRRESA-N	1	0	325.434	0.706	40	0		ECABRO
CS(=O)(=O)N1CCC([NH+]2CCC3(CC2)OCCC[C@@H]3O)CC1	ZINC000257280522	286604637	/nfs/dbraw/zinc/60/46/37/286604637.db2.gz	OLFBMDCCLQSOOK-AWEZNQCLSA-N	1	0	332.466	0.416	40	0		ECABRO
O=C1CO[C@@H]2C[N@@H+](CC3(O)CCOCC3)C[C@H]2N1Cc1ccccc1	ZINC000257298241	275019238	/nfs/dbraw/zinc/01/92/38/275019238.db2.gz	RKUZPNLAOOQTAH-IAGOWNOFSA-N	1	0	346.427	0.640	40	0		ECABRO
CCS(=O)(=O)N1CCC2(C[C@@H]([NH+]3CCN(C)CC3)CO2)CC1	ZINC000096048871	280011971	/nfs/dbraw/zinc/01/19/71/280011971.db2.gz	KSRZSOFRJXBRSU-CQSZACIVSA-N	1	0	331.482	0.207	40	0		ECABRO
Nc1nc2c(c(N)n1)CC1(CCN(C(=O)CC3CC[NH2+]CC3)CC1)O2	ZINC000257221375	295369373	/nfs/dbraw/zinc/36/93/73/295369373.db2.gz	DOTVDGDEYJFAKW-UHFFFAOYSA-N	1	0	346.435	0.327	40	0		ECABRO
CCCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1	ZINC000019699481	436107304	/nfs/dbraw/zinc/10/73/04/436107304.db2.gz	WPJQBNMZMAAAKH-UHFFFAOYSA-N	1	0	336.436	0.794	40	0		ECABRO
CCc1ccccc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000013675291	436065838	/nfs/dbraw/zinc/06/58/38/436065838.db2.gz	KKQSQUWTQVXGMN-UHFFFAOYSA-N	1	0	327.450	0.693	40	0		ECABRO
CN(C)S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c1ccccc1F	ZINC000044840981	436349802	/nfs/dbraw/zinc/34/98/02/436349802.db2.gz	XQPVVWNESGCCLV-UHFFFAOYSA-N	1	0	346.428	0.116	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)N3CCCC3)C2)cn1	ZINC000096108305	436514502	/nfs/dbraw/zinc/51/45/02/436514502.db2.gz	DPMPITVMEIYJTF-WBVHZDCISA-N	1	0	333.436	0.674	40	0		ECABRO
Cn1cc(C(=O)NCc2cnc3n2CC[N@@H+](CC2CC2)CC3)cn1	ZINC000096197077	436520416	/nfs/dbraw/zinc/52/04/16/436520416.db2.gz	JZBNAPNCFJDSAA-UHFFFAOYSA-N	1	0	328.420	0.815	40	0		ECABRO
CS(=O)(=O)NCc1cncc2c1CC[N@H+](C[C@H]1CCOC1)C2	ZINC000096189486	436520664	/nfs/dbraw/zinc/52/06/64/436520664.db2.gz	XIKCVFZDXKEHPT-GFCCVEGCSA-N	1	0	325.434	0.525	40	0		ECABRO
CCOC(=O)[C@@]12C[N@@H+](C(C)C)C[C@@H]1CN(S(C)(=O)=O)CCC2	ZINC000096055921	436506714	/nfs/dbraw/zinc/50/67/14/436506714.db2.gz	QEVNOMWYEKQJNN-HIFRSBDPSA-N	1	0	332.466	0.932	40	0		ECABRO
CN(C)C(=O)COC[C@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cnn(C)c2)O1	ZINC000096064775	436507912	/nfs/dbraw/zinc/50/79/12/436507912.db2.gz	BTTOWSKXFUWLKC-PMPSAXMXSA-N	1	0	336.436	0.647	40	0		ECABRO
CN(C)C(=O)N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC000096068743	436509606	/nfs/dbraw/zinc/50/96/06/436509606.db2.gz	YEMVKPTYYBLYJS-AWEZNQCLSA-N	1	0	336.440	0.508	40	0		ECABRO
CC(C)C[N@@H+]1CC2(CCN(S(C)(=O)=O)CC2)[C@@]2(CCNC2=O)C1	ZINC000096091169	436512719	/nfs/dbraw/zinc/51/27/19/436512719.db2.gz	JTWGJLDVXHYJML-INIZCTEOSA-N	1	0	343.493	0.506	40	0		ECABRO
Cn1nccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccoc3)CCO[C@@H]2C1	ZINC000096108208	436512903	/nfs/dbraw/zinc/51/29/03/436512903.db2.gz	GZJNGHGZKQJHFN-GOEBONIOSA-N	1	0	330.388	0.986	40	0		ECABRO
COC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccccc1	ZINC000054121091	436545859	/nfs/dbraw/zinc/54/58/59/436545859.db2.gz	ICYGTKXWRYSLGX-KGLIPLIRSA-N	1	0	330.388	0.250	40	0		ECABRO
CCn1c2ccc(S(=O)(=O)NCC[NH+](C)C)cc2sc1=O	ZINC000225692335	436713826	/nfs/dbraw/zinc/71/38/26/436713826.db2.gz	IFHUITLDCCDNAP-UHFFFAOYSA-N	1	0	329.447	0.923	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)c3cc4ccccc4[nH]3)C2)CC1	ZINC000257251658	436861342	/nfs/dbraw/zinc/86/13/42/436861342.db2.gz	JRPQBHDWMOPCPA-LJQANCHMSA-N	1	0	342.443	0.992	40	0		ECABRO
CC(C)S(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257312496	436868229	/nfs/dbraw/zinc/86/82/29/436868229.db2.gz	UOEXXOJBTHAUGE-LBPRGKRZSA-N	1	0	326.409	0.893	40	0		ECABRO
NC(=O)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1	ZINC000257328785	436872565	/nfs/dbraw/zinc/87/25/65/436872565.db2.gz	XHCOLBWCKQEMRF-ZDUSSCGKSA-N	1	0	327.388	0.669	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)C2CCOCC2)CC[C@@H]1O	ZINC000257333852	436873915	/nfs/dbraw/zinc/87/39/15/436873915.db2.gz	YDJFWOGHTFNYGE-IRXDYDNUSA-N	1	0	340.464	0.876	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2	ZINC000306135627	437166934	/nfs/dbraw/zinc/16/69/34/437166934.db2.gz	OWGZBYWLXFWLMT-GHMZBOCLSA-N	1	0	344.444	0.931	40	0		ECABRO
Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]12	ZINC000306138613	437168185	/nfs/dbraw/zinc/16/81/85/437168185.db2.gz	SCAZVGCOBKNKMX-IIAWOOMASA-N	1	0	330.388	0.890	40	0		ECABRO
CC(C)Nc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1	ZINC000329017988	437302076	/nfs/dbraw/zinc/30/20/76/437302076.db2.gz	NOLJOQMFTQCLFH-UHFFFAOYSA-N	1	0	346.401	0.819	40	0		ECABRO
C[N@H+](CC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292061	439642155	/nfs/dbraw/zinc/64/21/55/439642155.db2.gz	WPBITAQWKWUMDS-KURKYZTESA-N	1	0	335.448	0.346	40	0		ECABRO
CCn1ncc(S(=O)(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)c1C	ZINC000257257251	535828526	/nfs/dbraw/zinc/82/85/26/535828526.db2.gz	KOTPVEBFCXONQD-HNNXBMFYSA-N	1	0	342.465	0.433	40	0		ECABRO
CCn1ncc(S(=O)(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)c1C	ZINC000257257252	535828815	/nfs/dbraw/zinc/82/88/15/535828815.db2.gz	KOTPVEBFCXONQD-OAHLLOKOSA-N	1	0	342.465	0.433	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2cc(C)on2)CC[N@@H+](C2CCOCC2)C1	ZINC000257252618	536400020	/nfs/dbraw/zinc/40/00/20/536400020.db2.gz	JVLUAHMYHCFJLI-AWEZNQCLSA-N	1	0	336.436	0.642	40	0		ECABRO
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@H]1C[NH+]1CCCCC1	ZINC000012238167	201834670	/nfs/dbraw/zinc/83/46/70/201834670.db2.gz	SAEKLLSEYDWQDC-AWEZNQCLSA-N	1	0	348.447	0.781	40	0		ECABRO
C[C@@H](C(=O)NCCC[NH+](C)C)N(c1ccccc1)S(C)(=O)=O	ZINC000010111403	295777046	/nfs/dbraw/zinc/77/70/46/295777046.db2.gz	HONHDCKBHQANNC-ZDUSSCGKSA-N	1	0	327.450	0.909	40	0		ECABRO
CS(=O)(=O)[C@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C[NH3+])CO	ZINC000218192518	241304538	/nfs/dbraw/zinc/30/45/38/241304538.db2.gz	RJIROVUMEBHVLO-SDDRHHMPSA-N	1	0	334.235	0.897	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)Cn2cccn2)CC[C@@H]1O	ZINC000257207950	244138670	/nfs/dbraw/zinc/13/86/70/244138670.db2.gz	BKBGUOBDRWPPIP-HOTGVXAUSA-N	1	0	336.436	0.346	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)c2ccnnc2)CC[C@@H]1O	ZINC000257225684	244197552	/nfs/dbraw/zinc/19/75/52/244197552.db2.gz	FHIKQEUCKVDDQP-HOTGVXAUSA-N	1	0	334.420	0.553	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cnc3ccccc3c2)CC[N@H+](C)C1	ZINC000257227598	244203484	/nfs/dbraw/zinc/20/34/84/244203484.db2.gz	FQARPUKVFBCRFT-OAHLLOKOSA-N	1	0	326.400	0.985	40	0		ECABRO
Cc1cc(N)cc([C@H]2CN(C(=O)C(C)(C)n3cncn3)CCO2)[nH+]1	ZINC000257230236	244210507	/nfs/dbraw/zinc/21/05/07/244210507.db2.gz	GBJWIKILHJITII-CQSZACIVSA-N	1	0	330.392	0.899	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)/C=C/c3cccnc3)C2)CC1	ZINC000257253128	244273484	/nfs/dbraw/zinc/27/34/84/244273484.db2.gz	JXRUZCSMNPIZHB-SHCNBLLESA-N	1	0	330.432	0.306	40	0		ECABRO
CC(=O)N1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)CC1	ZINC000257285907	244420441	/nfs/dbraw/zinc/42/04/41/244420441.db2.gz	PJJSTRODFSQQMG-BRWVUGGUSA-N	1	0	337.464	0.739	40	0		ECABRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1	ZINC000257289477	244432446	/nfs/dbraw/zinc/43/24/46/244432446.db2.gz	PYUSJENAJSANLF-AWEZNQCLSA-N	1	0	330.454	0.494	40	0		ECABRO
Cn1ccnc1C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257318717	274896970	/nfs/dbraw/zinc/89/69/70/274896970.db2.gz	VPBQKMGDKIUFBO-AWEZNQCLSA-N	1	0	328.363	0.728	40	0		ECABRO
CN(C)S(=O)(=O)c1cncc(Br)c1N1CC[NH2+]CC1	ZINC000072210838	436036276	/nfs/dbraw/zinc/03/62/76/436036276.db2.gz	KCMNALZUHQZGCG-UHFFFAOYSA-N	1	0	349.254	0.504	40	0		ECABRO
CCOc1ccccc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000013649825	436065376	/nfs/dbraw/zinc/06/53/76/436065376.db2.gz	PWJJYNYCKLBAIO-UHFFFAOYSA-N	1	0	343.449	0.529	40	0		ECABRO
CCC(=O)N1CCC(N2C(=O)NC3(CC[NH+](CC)CC3)C2=O)CC1	ZINC000019699550	436108996	/nfs/dbraw/zinc/10/89/96/436108996.db2.gz	OYVHUMISKLXUJU-UHFFFAOYSA-N	1	0	336.436	0.794	40	0		ECABRO
CS(=O)(=O)NC[C@H]1OC[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]21	ZINC000096185449	436519797	/nfs/dbraw/zinc/51/97/97/436519797.db2.gz	CICMIAQLWBQMHA-AEGPPILISA-N	1	0	325.434	0.468	40	0		ECABRO
Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CC[N@@H+]3C3CCOCC3)O2)cn1	ZINC000096186598	436519939	/nfs/dbraw/zinc/51/99/39/436519939.db2.gz	FDGJCCNJWUNFRF-ULQDDVLXSA-N	1	0	346.431	0.812	40	0		ECABRO
Cn1cc(C(=O)N[C@H]2CCO[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cn1	ZINC000096206197	436522683	/nfs/dbraw/zinc/52/26/83/436522683.db2.gz	SZCJGYUQGATJSM-MAUKXSAKSA-N	1	0	348.447	0.952	40	0		ECABRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CC[N@H+](CC1CC1)C2	ZINC000096050464	436506641	/nfs/dbraw/zinc/50/66/41/436506641.db2.gz	PHRSDTAZSNQKLS-QGZVFWFLSA-N	1	0	331.420	0.470	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1	ZINC000096050346	436507099	/nfs/dbraw/zinc/50/70/99/436507099.db2.gz	IOWLBBMCFJQSIY-KRWDZBQOSA-N	1	0	343.435	0.077	40	0		ECABRO
Cn1cc(C(=O)N2CCO[C@@H]3C[N@H+](Cc4ccco4)C[C@@H]3C2)cn1	ZINC000096208821	436522969	/nfs/dbraw/zinc/52/29/69/436522969.db2.gz	LJSOEDILYQZUNW-GDBMZVCRSA-N	1	0	330.388	0.986	40	0		ECABRO
CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccncc3)CC[C@H]21	ZINC000096249465	436527969	/nfs/dbraw/zinc/52/79/69/436527969.db2.gz	SZIWCMBFQCJAOL-HUUCEWRRSA-N	1	0	325.434	0.706	40	0		ECABRO
CN(CC(=O)NC1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1	ZINC000054147886	436547868	/nfs/dbraw/zinc/54/78/68/436547868.db2.gz	JVNROOSYPIPPRX-UHFFFAOYSA-N	1	0	325.434	0.518	40	0		ECABRO
CCCCCn1c(N2CC[NH2+]CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000062720575	436640843	/nfs/dbraw/zinc/64/08/43/436640843.db2.gz	MJADDUFCHFAFRS-UHFFFAOYSA-N	1	0	334.424	0.034	40	0		ECABRO
CC(C)c1ncc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cn1	ZINC000257281358	436861011	/nfs/dbraw/zinc/86/10/11/436861011.db2.gz	OOUYGBNJMSBLQN-GOSISDBHSA-N	1	0	347.463	0.424	40	0		ECABRO
CNC(=O)CCc1cccc(C2CC[NH+]([C@H]3COC[C@H]3O)CC2)n1	ZINC000257288584	436863998	/nfs/dbraw/zinc/86/39/98/436863998.db2.gz	PUVURPXBODRXHM-DLBZAZTESA-N	1	0	333.432	0.699	40	0		ECABRO
CC(=O)N1CC2(C[C@@]1(C)CO)CC[NH+](CC(=O)N1CCCC1)CC2	ZINC000257308357	436868955	/nfs/dbraw/zinc/86/89/55/436868955.db2.gz	TWLDEZKUIRQATA-KRWDZBQOSA-N	1	0	337.464	0.694	40	0		ECABRO
CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)CN2CCCC2=O)C[C@H]1O	ZINC000257314084	436870742	/nfs/dbraw/zinc/87/07/42/436870742.db2.gz	UVFBCMAVJIGNQZ-HZPDHXFCSA-N	1	0	346.431	0.098	40	0		ECABRO
OCCCN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514290265	438811411	/nfs/dbraw/zinc/81/14/11/438811411.db2.gz	VVRXGLVJBLKZCS-QZTJIDSGSA-N	1	0	331.460	0.374	40	0	biogenic,in-vitro	ECABRO
C[NH+]1CCN(C[C@@H]2OC[C@H]([NH2+]C3Cc4ccccc4C3)[C@H]2O)CC1	ZINC000514288515	438812884	/nfs/dbraw/zinc/81/28/84/438812884.db2.gz	GZDGHXIWIVCWMV-GBESFXJTSA-N	1	0	331.460	0.119	40	0	biogenic,in-vitro	ECABRO
COCCn1nccc1C(=O)N1CCC[C@]2(CC[N@@H+]2CCOC)C1	ZINC000585101752	439629392	/nfs/dbraw/zinc/62/93/92/439629392.db2.gz	DRKRAJMRULURMV-KRWDZBQOSA-N	1	0	336.436	0.856	40	0		ECABRO
Cn1ccc(CC(=O)N2CC[C@@H]3C[N@H+](CC4CC4)CCO[C@@H]3C2)n1	ZINC000585108247	439630346	/nfs/dbraw/zinc/63/03/46/439630346.db2.gz	CTZNFZBCTPNKSY-NVXWUHKLSA-N	1	0	332.448	0.922	40	0		ECABRO
O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]CC2CC2)C1	ZINC000585285757	439640169	/nfs/dbraw/zinc/64/01/69/439640169.db2.gz	SQBLMCZZDKZSAK-JKSUJKDBSA-N	1	0	340.445	0.173	40	0		ECABRO
C[N@H+](CCO)C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O	ZINC000585289834	439641107	/nfs/dbraw/zinc/64/11/07/439641107.db2.gz	KLLMFMBGQWTZTI-HOCLYGCPSA-N	1	0	342.823	0.202	40	0		ECABRO
Cn1cnc2c1C[C@H](COCc1ccncc1)N(C(=O)C[NH+](C)C)C2	ZINC000585094724	439627487	/nfs/dbraw/zinc/62/74/87/439627487.db2.gz	JHFLNKQNHJUFFH-OAHLLOKOSA-N	1	0	343.431	0.847	40	0		ECABRO
CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN(C)CC[NH+](C)C	ZINC000020503821	575370487	/nfs/dbraw/zinc/37/04/87/575370487.db2.gz	AXZJGTIDYZTDGE-YESZJQIVSA-N	1	0	339.528	0.898	40	0	biogenic,in-vitro	ECABRO
CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@@]1(C[NH3+])CO	ZINC000218192446	241303568	/nfs/dbraw/zinc/30/35/68/241303568.db2.gz	RJIROVUMEBHVLO-QJPTWQEYSA-N	1	0	334.235	0.897	40	0		ECABRO
CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C[NH3+])CO	ZINC000218192377	241303697	/nfs/dbraw/zinc/30/36/97/241303697.db2.gz	RJIROVUMEBHVLO-GRYCIOLGSA-N	1	0	334.235	0.897	40	0		ECABRO
O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257205839	244133884	/nfs/dbraw/zinc/13/38/84/244133884.db2.gz	BAURDKQQHQPNTG-SFHVURJKSA-N	1	0	341.415	0.940	40	0		ECABRO
CCCN1c2ccccc2[C@]2(N=C(N3CCOCC3)NC(=[NH2+])N2)C1=O	ZINC000019330849	212016094	/nfs/dbraw/zinc/01/60/94/212016094.db2.gz	YSGQYRWHYCYJKP-KRWDZBQOSA-N	1	0	342.403	0.202	40	0		ECABRO
CC(C)[C@@H]([NH3+])C(=O)N1C[C@H]2C(=O)Nc3ccccc3C(=O)N[C@@]2(C)C1	ZINC000012220098	211321778	/nfs/dbraw/zinc/32/17/78/211321778.db2.gz	VRVVUSMLXLYWKO-WRSAYESZSA-N	1	0	344.415	0.569	40	0		ECABRO
CC[NH+](CC)CCN1C[C@H]2OC[C@H](C(=O)NCc3ccccn3)[C@H]2C1	ZINC000096219484	218694553	/nfs/dbraw/zinc/69/45/53/218694553.db2.gz	SRFTYPPKYKQCPW-FGTMMUONSA-N	1	0	346.475	0.986	40	0		ECABRO
COCC[N@@H+]1CC[C@@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244182	274033036	/nfs/dbraw/zinc/03/30/36/274033036.db2.gz	JVAIXFLDVUSSCC-QGZVFWFLSA-N	1	0	334.420	0.433	40	0		ECABRO
O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@@H](CCO)CC1	ZINC000333321687	297124352	/nfs/dbraw/zinc/12/43/52/297124352.db2.gz	UQBUPSHQSWWBAO-CQSZACIVSA-N	1	0	348.451	0.903	40	0		ECABRO
C[NH+](C)CCNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O	ZINC000013673134	436066115	/nfs/dbraw/zinc/06/61/15/436066115.db2.gz	POBMXRUASLCKHC-UHFFFAOYSA-N	1	0	333.841	0.784	40	0		ECABRO
OCCN1CC[NH+](C[C@@H](O)COCC[C@H]2C[C@@H]3CC[C@H]2C3)CC1	ZINC000041690381	436280826	/nfs/dbraw/zinc/28/08/26/436280826.db2.gz	QUSNKRWGCRABRJ-VSZNYVQBSA-N	1	0	326.481	0.800	40	0		ECABRO
Cn1nccc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1	ZINC000096110930	436514459	/nfs/dbraw/zinc/51/44/59/436514459.db2.gz	MKGVGYDFLRVIPZ-XJKSGUPXSA-N	1	0	330.388	0.986	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@H]3CO[C@H](CNC(=O)c4ccno4)[C@H]3C2)cn1	ZINC000096056286	436505872	/nfs/dbraw/zinc/50/58/72/436505872.db2.gz	VJPQUSJWBMXVOU-OFQRWUPVSA-N	1	0	345.403	0.675	40	0		ECABRO
Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CC[N@@H+]3[C@H]3CCOC3)O2)cn1	ZINC000096064753	436508800	/nfs/dbraw/zinc/50/88/00/436508800.db2.gz	BKQPSICTPKEQJZ-VGWMRTNUSA-N	1	0	332.404	0.422	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H]1CCCO1)C2	ZINC000096067612	436509834	/nfs/dbraw/zinc/50/98/34/436509834.db2.gz	ILRZYXTVSWWRLT-ZBFHGGJFSA-N	1	0	333.432	0.562	40	0		ECABRO
O=C([C@H]1CCCO1)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1	ZINC000096068106	436511012	/nfs/dbraw/zinc/51/10/12/436511012.db2.gz	XFPJUDBUOCOOEN-OAHLLOKOSA-N	1	0	346.431	0.750	40	0		ECABRO
Cn1cccc1C(=O)N1CCCn2nnc(COCC[NH+](C)C)c2C1	ZINC000096084344	436511673	/nfs/dbraw/zinc/51/16/73/436511673.db2.gz	DTBTUHQBACBVSP-UHFFFAOYSA-N	1	0	346.435	0.741	40	0		ECABRO
C[NH+](C)CCN1CC2(CCN(C(=O)c3ccoc3)CC2)OCC1=O	ZINC000096201356	436523619	/nfs/dbraw/zinc/52/36/19/436523619.db2.gz	ZXJVZKOZLIYOFW-UHFFFAOYSA-N	1	0	335.404	0.675	40	0		ECABRO
Cc1cnc(CNC(=O)[C@H]2CO[C@@H]3C[N@@H+](C4CCOCC4)C[C@H]23)cn1	ZINC000096216572	436525271	/nfs/dbraw/zinc/52/52/71/436525271.db2.gz	OPXXNJUKDMTQAO-IXDOHACOSA-N	1	0	346.431	0.527	40	0		ECABRO
Cc1cn(CCCC[C@@H]([NH3+])C(=O)[O-])c[n+]1CCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000059067637	436631086	/nfs/dbraw/zinc/63/10/86/436631086.db2.gz	NVJLIMSDAPOFHF-ZIAGYGMSSA-O	1	0	341.432	0.248	40	0		ECABRO
O=C(NCC[C@@H]1CCOC12C[NH+](C1CCOCC1)C2)c1cnccn1	ZINC000247464570	436794227	/nfs/dbraw/zinc/79/42/27/436794227.db2.gz	CDPYKJUIWBWDQZ-CQSZACIVSA-N	1	0	346.431	0.866	40	0		ECABRO
COCC(=O)NCC[C@@H]1Cn2nccc2C[N@@H+](C2CCOCC2)C1	ZINC000247855201	436797818	/nfs/dbraw/zinc/79/78/18/436797818.db2.gz	TWYNHVCHGKKBIP-AWEZNQCLSA-N	1	0	336.436	0.647	40	0		ECABRO
Cc1nc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)cs1	ZINC000247941867	436798190	/nfs/dbraw/zinc/79/81/90/436798190.db2.gz	GOYRXXAMRNZORX-MRVWCRGKSA-N	1	0	345.490	0.838	40	0		ECABRO
CN(C)C(=O)COC[C@H]1CCOC12C[NH+](CC1CCOCC1)C2	ZINC000247956134	436798341	/nfs/dbraw/zinc/79/83/41/436798341.db2.gz	CZLDPRWDACXMAO-OAHLLOKOSA-N	1	0	326.437	0.609	40	0		ECABRO
CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@H](C(N)=O)C2)cc1CO	ZINC000257287428	436861538	/nfs/dbraw/zinc/86/15/38/436861538.db2.gz	PPXXLPQOKPCYPT-MRXNPFEDSA-N	1	0	349.431	0.343	40	0		ECABRO
CNC(=O)CCc1cc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)nc(C)n1	ZINC000257294700	436863249	/nfs/dbraw/zinc/86/32/49/436863249.db2.gz	QVHVLMJRWNXGBL-SJORKVTESA-N	1	0	348.447	0.403	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)Cc3nonc3C)CC2)OC[C@]1(C)O	ZINC000257297121	436866453	/nfs/dbraw/zinc/86/64/53/436866453.db2.gz	RFYQURSHXNXUSS-ZFWWWQNUSA-N	1	0	338.408	0.041	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)CCOc3ccccc3)C2)CC1	ZINC000257312048	436867403	/nfs/dbraw/zinc/86/74/03/436867403.db2.gz	UMFZIHDNPUBZQK-LJQANCHMSA-N	1	0	347.459	0.666	40	0		ECABRO
CNc1nc([C@@H]2CCCCN2S(C)(=O)=O)nc2c1CC[NH2+]C2	ZINC000257322272	436871203	/nfs/dbraw/zinc/87/12/03/436871203.db2.gz	WFGXUGLWAQHXAG-LBPRGKRZSA-N	1	0	325.438	0.651	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@]1(O)CCCN(c2ccnc3cccnc32)C1	ZINC000257333549	436872298	/nfs/dbraw/zinc/87/22/98/436872298.db2.gz	YCASZLRETLILAO-GOSISDBHSA-N	1	0	343.431	0.816	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[N@H+](C)C1	ZINC000257338884	436874879	/nfs/dbraw/zinc/87/48/79/436874879.db2.gz	YZHLTIRVVUXKDK-HNNXBMFYSA-N	1	0	329.400	0.599	40	0		ECABRO
CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cnn(C)c3)C[C@H]1C2	ZINC000306136089	437168211	/nfs/dbraw/zinc/16/82/11/437168211.db2.gz	PISBSNXNUBZQMM-ZIAGYGMSSA-N	1	0	343.435	0.454	40	0		ECABRO
O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCNC[C@H]1c1ccncc1	ZINC000333353787	437267748	/nfs/dbraw/zinc/26/77/48/437267748.db2.gz	BQHDKFTVNGJSTJ-ZBFHGGJFSA-N	1	0	341.419	0.384	40	0		ECABRO
Cc1[nH]nc(C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)c1C	ZINC000333988137	437291779	/nfs/dbraw/zinc/29/17/79/437291779.db2.gz	HXVQSQAAOKXQSK-UHFFFAOYSA-N	1	0	335.452	0.553	40	0		ECABRO
OCCCN1CC2(C1)C[N@H+](Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290266	438811502	/nfs/dbraw/zinc/81/15/02/438811502.db2.gz	VVRXGLVJBLKZCS-ZWKOTPCHSA-N	1	0	331.460	0.374	40	0	biogenic,in-vitro	ECABRO
CCN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)C[N@H+]12	ZINC000514288469	438811976	/nfs/dbraw/zinc/81/19/76/438811976.db2.gz	AYMZWGUVIZEEMO-IAGOWNOFSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@H]1CN1CCC(F)(F)C1	ZINC000585098627	439629547	/nfs/dbraw/zinc/62/95/47/439629547.db2.gz	ZTXKCKIDLGLIME-ZDUSSCGKSA-N	1	0	341.406	0.887	40	0		ECABRO
Cn1cc(N2C[C@]3(CCC[N@H+](C[C@H]4CCCO4)C3)C2=O)ccc1=O	ZINC000585099419	439629640	/nfs/dbraw/zinc/62/96/40/439629640.db2.gz	IVXYHDMLSNSNSW-CRAIPNDOSA-N	1	0	331.416	0.993	40	0		ECABRO
Cn1cncc1C[N@@H+]1CCC[C@@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1	ZINC000585099580	439629951	/nfs/dbraw/zinc/62/99/51/439629951.db2.gz	RCIHWSAZSXJLKT-SFHVURJKSA-N	1	0	341.415	0.748	40	0		ECABRO
Cc1nc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)c[nH]1	ZINC000585104898	439630122	/nfs/dbraw/zinc/63/01/22/439630122.db2.gz	WGJZFGONSUUICW-LSDHHAIUSA-N	1	0	348.447	0.796	40	0		ECABRO
CC(C)[N@H+](C)CC(=O)N1CCc2ncc(CN3CCOCC3)n2CC1	ZINC000585110648	439630775	/nfs/dbraw/zinc/63/07/75/439630775.db2.gz	RWTRFTRBBWTJIA-UHFFFAOYSA-N	1	0	349.479	0.440	40	0		ECABRO
CCC(CC)[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291481	439642100	/nfs/dbraw/zinc/64/21/00/439642100.db2.gz	QJDXJTZFGLXSLZ-CVEARBPZSA-N	1	0	342.461	0.561	40	0		ECABRO
C[NH+](C)Cc1cnn(-c2ccccc2C(=O)N2CCNC(=O)C2)c1	ZINC000257223558	536061344	/nfs/dbraw/zinc/06/13/44/536061344.db2.gz	DXXRGTVHKYOWBZ-UHFFFAOYSA-N	1	0	327.388	0.506	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2cc(C3CC[NH+](C)CC3)nc(C)n2)CC1	ZINC000072382883	216184282	/nfs/dbraw/zinc/18/42/82/216184282.db2.gz	LTENMAAUMOHOPI-UHFFFAOYSA-N	1	0	345.447	0.899	40	0		ECABRO
CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)CCc1nc2ccccc2[nH]1	ZINC000257205750	244132199	/nfs/dbraw/zinc/13/21/99/244132199.db2.gz	BALLBFMNPASFIP-RISCZKNCSA-N	1	0	329.404	0.288	40	0		ECABRO
[NH3+]CCCCC(=O)NC[C@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257206526	244135831	/nfs/dbraw/zinc/13/58/31/244135831.db2.gz	BDWFRRQTTXIWTO-GOSISDBHSA-N	1	0	343.431	0.816	40	0		ECABRO
CC(C)C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[N@H+](C)CCO	ZINC000257220719	244185355	/nfs/dbraw/zinc/18/53/55/244185355.db2.gz	DLWCXMVQMQHGTF-NCOADZHNSA-N	1	0	336.432	0.632	40	0		ECABRO
CS(=O)(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000257237962	244236694	/nfs/dbraw/zinc/23/66/94/244236694.db2.gz	HIZZHCQTRUEKCP-LLVKDONJSA-N	1	0	326.422	0.129	40	0		ECABRO
NC(=O)c1cnc2c(ccn2[C@@H]2CN(C(=O)CCCC[NH3+])C[C@H]2O)c1	ZINC000257259782	244292884	/nfs/dbraw/zinc/29/28/84/244292884.db2.gz	KZYKYOCYLLOHOR-ZIAGYGMSSA-N	1	0	345.403	0.008	40	0		ECABRO
CCCn1cc(Cl)c(C(=O)N2CC[N@H+](C)C[C@@H](C(N)=O)C2)n1	ZINC000257262385	244349207	/nfs/dbraw/zinc/34/92/07/244349207.db2.gz	LLENNRKHTSEEOH-SNVBAGLBSA-N	1	0	327.816	0.436	40	0		ECABRO
CN(C)S(=O)(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnn(C)c1	ZINC000019748922	212062235	/nfs/dbraw/zinc/06/22/35/212062235.db2.gz	CIBFDIFEPAIRFF-AWEZNQCLSA-N	1	0	329.470	0.561	40	0		ECABRO
CCS(=O)(=O)N1CCc2c(nc([C@@H]3CCC[NH2+]3)nc2NC)C1	ZINC000019708619	212055545	/nfs/dbraw/zinc/05/55/45/212055545.db2.gz	SAVVPSBEWLWDKA-NSHDSACASA-N	1	0	325.438	0.651	40	0		ECABRO
COCCC(=O)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1	ZINC000019590234	212049157	/nfs/dbraw/zinc/04/91/57/212049157.db2.gz	IVTMLBPCYUCPSD-LBPRGKRZSA-N	1	0	334.420	0.913	40	0		ECABRO
CN1C[C@H](C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)CC1=O	ZINC000019587353	212048395	/nfs/dbraw/zinc/04/83/95/212048395.db2.gz	YIIDIBVXTJBQCF-CYBMUJFWSA-N	1	0	343.431	0.307	40	0		ECABRO
[NH3+]CCCC(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000019404756	212025063	/nfs/dbraw/zinc/02/50/63/212025063.db2.gz	BVVHWCFZVIAGLY-UHFFFAOYSA-N	1	0	343.431	0.836	40	0		ECABRO
O[C@@H]1CN(Cc2cccc(F)c2)CC[C@H]1[NH2+]CCN1CCOCC1	ZINC000019293879	212012729	/nfs/dbraw/zinc/01/27/29/212012729.db2.gz	FETRAVXUFBRRHA-QZTJIDSGSA-N	1	0	337.439	0.683	40	0		ECABRO
O=C(COc1ccc(C[N@H+]2CC[C@H](CO)C2)cc1)N1CCOCC1	ZINC000012191762	211315060	/nfs/dbraw/zinc/31/50/60/211315060.db2.gz	XGALLLMZGKIUHO-INIZCTEOSA-N	1	0	334.416	0.738	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CC[C@@]3(CCCO3)[C@@H](OC)C2)CC1	ZINC000257203689	276383338	/nfs/dbraw/zinc/38/33/38/276383338.db2.gz	ARDWGPMSBUOCQU-RDJZCZTQSA-N	1	0	325.453	0.420	40	0		ECABRO
O=S1(=O)C[C@@H](O)[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)C1	ZINC000105678128	280351498	/nfs/dbraw/zinc/35/14/98/280351498.db2.gz	QGCOMHAVTVZOHF-FRRDWIJNSA-N	1	0	330.475	0.633	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2cnccn2)C1	ZINC000096188980	289170719	/nfs/dbraw/zinc/17/07/19/289170719.db2.gz	WDVSQDWVTSZAOJ-AWEZNQCLSA-N	1	0	344.419	0.524	40	0		ECABRO
Cc1ccc(N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000013673828	436064487	/nfs/dbraw/zinc/06/44/87/436064487.db2.gz	QWYSBQLRVPFLIN-CYBMUJFWSA-N	1	0	327.450	0.827	40	0		ECABRO
CC(=O)Nc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)C3CC3)[C@H]2O)cc1	ZINC000077263966	436228107	/nfs/dbraw/zinc/22/81/07/436228107.db2.gz	SXOAKOKPFPVABC-ZACQAIPSSA-N	1	0	347.415	0.389	40	0	biogenic,in-vitro	ECABRO
CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O	ZINC000077264879	436229128	/nfs/dbraw/zinc/22/91/28/436229128.db2.gz	DQFPKNUHQWCMOF-KFWWJZLASA-N	1	0	325.384	0.751	40	0	biogenic,in-vitro	ECABRO
Cc1nn(C)c(C)c1S(=O)(=O)N1C[C@@H]2COC[C@]2(C[NH+](C)C)C1	ZINC000096108265	436514283	/nfs/dbraw/zinc/51/42/83/436514283.db2.gz	NFIDYRQTUPGYOW-HIFRSBDPSA-N	1	0	342.465	0.236	40	0		ECABRO
Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CC[N@@H+](C4CCOCC4)C[C@@H]32)cn1	ZINC000096185486	436518814	/nfs/dbraw/zinc/51/88/14/436518814.db2.gz	LNPPBAJHGWLFBI-RRQGHBQHSA-N	1	0	348.447	0.666	40	0		ECABRO
Cn1cc(CN2Cc3ccnn3C[C@@H](COCC[NH+](C)C)C2)cn1	ZINC000096188961	436522057	/nfs/dbraw/zinc/52/20/57/436522057.db2.gz	GDVVZEDZUHWCJO-INIZCTEOSA-N	1	0	332.452	0.827	40	0		ECABRO
CN(C)C(=O)COC[C@H]1Cn2nccc2CN(CC[NH+]2CCCC2)C1	ZINC000096189079	436522112	/nfs/dbraw/zinc/52/21/12/436522112.db2.gz	JZPACRUQNYXMFD-MRXNPFEDSA-N	1	0	349.479	0.516	40	0		ECABRO
COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]21	ZINC000096043314	436505427	/nfs/dbraw/zinc/50/54/27/436505427.db2.gz	AWYGTILRAYKIDA-OWCLPIDISA-N	1	0	336.436	0.410	40	0		ECABRO
CS(=O)(=O)NCC[C@@]12CCO[C@@H]1CC[N@@H+](C1CCOCC1)C2	ZINC000096207680	436522772	/nfs/dbraw/zinc/52/27/72/436522772.db2.gz	KZGUSIGONCVQCQ-CABCVRRESA-N	1	0	332.466	0.586	40	0		ECABRO
O=C1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2N1Cc1ccncc1	ZINC000096054272	436506329	/nfs/dbraw/zinc/50/63/29/436506329.db2.gz	WABBPBUKQLUBPB-IAGOWNOFSA-N	1	0	331.416	0.920	40	0		ECABRO
O=C(N[C@H]1C[N@H+](CC2CCOCC2)[C@H]2CCCO[C@@H]12)c1cnccn1	ZINC000096056367	436506443	/nfs/dbraw/zinc/50/64/43/436506443.db2.gz	HGYZGTLCOQQZDK-ULQDDVLXSA-N	1	0	346.431	0.865	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccncc1)CCC2	ZINC000096058832	436508428	/nfs/dbraw/zinc/50/84/28/436508428.db2.gz	LBODRKVDOBLKQY-UHFFFAOYSA-N	1	0	344.419	0.797	40	0		ECABRO
Cc1cc(C(=O)N[C@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)no1	ZINC000096067608	436510383	/nfs/dbraw/zinc/51/03/83/436510383.db2.gz	WSXXZAYECBLBFY-AWEZNQCLSA-N	1	0	344.415	0.994	40	0		ECABRO
Cc1cncc(C(=O)N2C[C@H]3OCC(=O)N(CC[NH+](C)C)[C@@H]3C2)c1	ZINC000096081571	436510864	/nfs/dbraw/zinc/51/08/64/436510864.db2.gz	OBTLJOUBTWHXFX-HUUCEWRRSA-N	1	0	332.404	0.003	40	0		ECABRO
CN(C)S(=O)(=O)N1CC[C@]2(C[C@@H](OCC[NH+]3CCCC3)CO2)C1	ZINC000096107735	436511400	/nfs/dbraw/zinc/51/14/00/436511400.db2.gz	FAIZPICWKARMLM-CABCVRRESA-N	1	0	347.481	0.139	40	0		ECABRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)N(C)C)C2	ZINC000096220182	436525729	/nfs/dbraw/zinc/52/57/29/436525729.db2.gz	OOIBGHBIXHXKFO-HUUCEWRRSA-N	1	0	331.482	0.473	40	0		ECABRO
Cc1cccc(OC[C@]2(C[NH2+]Cc3nccn3C)C[C@@H](O)[C@@H](O)C2)n1	ZINC000107430377	436611174	/nfs/dbraw/zinc/61/11/74/436611174.db2.gz	PLJJHSKNOAITSE-JLVBRIDZSA-N	1	0	346.431	0.794	40	0	biogenic,in-vitro	ECABRO
CN(CC(=O)NCC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000120337044	436684783	/nfs/dbraw/zinc/68/47/83/436684783.db2.gz	OHNSBMAXUIZUGP-UHFFFAOYSA-N	1	0	333.841	0.638	40	0		ECABRO
O=C(NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12)c1ccnnc1	ZINC000247445783	436794523	/nfs/dbraw/zinc/79/45/23/436794523.db2.gz	YMRFWVXCMGCDPJ-DJIMGWMZSA-N	1	0	339.399	0.748	40	0		ECABRO
Cc1ccccc1CC(=O)N1CC[C@](O)(C[NH+]2CCN(C)CC2)C1	ZINC000257199721	436859780	/nfs/dbraw/zinc/85/97/80/436859780.db2.gz	AAPDQDTTXXAHJH-IBGZPJMESA-N	1	0	331.460	0.748	40	0		ECABRO
CNC(=O)CCc1cc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)nc(C)n1	ZINC000257287998	436864053	/nfs/dbraw/zinc/86/40/53/436864053.db2.gz	PSINLSXIPVRHIS-AWEZNQCLSA-N	1	0	347.463	0.731	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2cccs2)C[C@H]1O)c1ccccn1	ZINC000257302914	436865501	/nfs/dbraw/zinc/86/55/01/436865501.db2.gz	SEYVMNLPEHRMGM-NVXWUHKLSA-N	1	0	347.440	0.871	40	0		ECABRO
Cn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1	ZINC000306127190	437164893	/nfs/dbraw/zinc/16/48/93/437164893.db2.gz	FRDNXLVOVZZFPV-STQMWFEESA-N	1	0	341.419	0.208	40	0		ECABRO
CN1C[C@@H](c2ccccc2)[C@]2(CN(C(=O)C[NH+](C)C)CCO2)C1=O	ZINC000306139608	437168143	/nfs/dbraw/zinc/16/81/43/437168143.db2.gz	TVSFXMJTNRPNRW-MAUKXSAKSA-N	1	0	331.416	0.401	40	0		ECABRO
CCN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)NC)c2)CC1	ZINC000408601362	438582464	/nfs/dbraw/zinc/58/24/64/438582464.db2.gz	FZJNCEOTXGNEJW-UHFFFAOYSA-N	1	0	325.434	0.681	40	0		ECABRO
CC(C)N1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290270	438812525	/nfs/dbraw/zinc/81/25/25/438812525.db2.gz	VWIFXEMMPSJVOM-JKSUJKDBSA-N	1	0	330.432	0.435	40	0	biogenic,in-vitro	ECABRO
COCCc1nccc(C[C@H]2[C@H]([NH2+]CC(C)C)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382262	439312722	/nfs/dbraw/zinc/31/27/22/439312722.db2.gz	MEPKYUGHAZHIBC-QBPKDAKJSA-N	1	0	337.464	0.812	40	0	biogenic,in-vitro	ECABRO
COC[C@H]1C[N@H+](CC2CC2)C2(CN(C(=O)c3cc(=O)[nH]cn3)C2)C1	ZINC000585093842	439628187	/nfs/dbraw/zinc/62/81/87/439628187.db2.gz	IWLSRLLDHPMOJA-CYBMUJFWSA-N	1	0	332.404	0.755	40	0		ECABRO
C[NH+](C)C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)CC[C@H]1O	ZINC000585289943	439641579	/nfs/dbraw/zinc/64/15/79/439641579.db2.gz	NNHVQKIASMOWPX-ZBFHGGJFSA-N	1	0	326.824	0.768	40	0		ECABRO
COc1cccc([C@H]2CO[C@]3(C2)CN(C(=O)C[NH+](C)C)C[C@H]3O)c1	ZINC000585288019	439642051	/nfs/dbraw/zinc/64/20/51/439642051.db2.gz	MSPFIQKSPYYZEJ-QGPMSJSTSA-N	1	0	334.416	0.703	40	0		ECABRO
[NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)C3CC3)cc2)[C@H]1CO	ZINC000072321366	216150076	/nfs/dbraw/zinc/15/00/76/216150076.db2.gz	JYIWOSIFRAZUHF-GDBMZVCRSA-N	1	0	333.388	0.255	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257225819	244199708	/nfs/dbraw/zinc/19/97/08/244199708.db2.gz	FHYYUUOXFJJDPQ-AWEZNQCLSA-N	1	0	333.436	0.135	40	0		ECABRO
CN(C(=O)OC(C)(C)C)[C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCCC2)[C@@H](O)C1	ZINC000257241866	244245042	/nfs/dbraw/zinc/24/50/42/244245042.db2.gz	HZZADVJHGFUVJK-VWERNLLFSA-N	1	0	344.452	0.564	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCOC[C@H]2CCc2cnccn2)CC1	ZINC000257267665	244366374	/nfs/dbraw/zinc/36/63/74/244366374.db2.gz	MIGUBNYZESAPCD-QGZVFWFLSA-N	1	0	347.463	0.274	40	0		ECABRO
CN(C)S(=O)(=O)N1CC[C@@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1	ZINC000257263517	244353365	/nfs/dbraw/zinc/35/33/65/244353365.db2.gz	LQHDERGZFWZFMC-OAHLLOKOSA-N	1	0	345.440	0.501	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3cnccn3)C[C@H]2O)cc1	ZINC000257277349	244397790	/nfs/dbraw/zinc/39/77/90/244397790.db2.gz	NXPPXCJQVUVHIU-IAGOWNOFSA-N	1	0	342.399	0.803	40	0		ECABRO
Cc1nn(C)cc1C[N@H+]1CCCC[C@H]1CCNS(=O)(=O)N(C)C	ZINC000019749031	212062598	/nfs/dbraw/zinc/06/25/98/212062598.db2.gz	IKBPGOAMEBSOGK-HNNXBMFYSA-N	1	0	343.497	0.869	40	0		ECABRO
Cc1c(C[N@H+]2CCCC[C@@H]2CCNS(=O)(=O)N(C)C)cnn1C	ZINC000019745782	212059834	/nfs/dbraw/zinc/05/98/34/212059834.db2.gz	JZFLEAGTKWCXOD-OAHLLOKOSA-N	1	0	343.497	0.869	40	0		ECABRO
Cn1ccnc1C(=O)N[C@@H]1C[N@H+](CC2CCOCC2)[C@@H]2CCCO[C@H]12	ZINC000096056357	279373472	/nfs/dbraw/zinc/37/34/72/279373472.db2.gz	UKHYSLDLJPHWAH-BZUAXINKSA-N	1	0	348.447	0.808	40	0		ECABRO
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1	ZINC000001612761	435962698	/nfs/dbraw/zinc/96/26/98/435962698.db2.gz	SXWOYINHNFSCIE-LLVKDONJSA-N	1	0	339.417	0.263	40	0		ECABRO
COc1cc(C[NH2+]C[C@@H](C)O)cc(Br)c1OCC(N)=O	ZINC000008535045	436031492	/nfs/dbraw/zinc/03/14/92/436031492.db2.gz	NWZSEIDBLYABCY-MRVPVSSYSA-N	1	0	347.209	0.792	40	0		ECABRO
CN(C)S(=O)(=O)N(CC(=O)NCC[NH+](C)C)c1ccc(F)cc1	ZINC000030871928	436224225	/nfs/dbraw/zinc/22/42/25/436224225.db2.gz	COQRRSSKOZERKS-UHFFFAOYSA-N	1	0	346.428	0.116	40	0		ECABRO
Cn1ccnc1C[NH2+][C@@H]1CCC[C@@H](C(=O)NC2CC2)CC(=O)N(C)C1	ZINC000096113415	436514328	/nfs/dbraw/zinc/51/43/28/436514328.db2.gz	BVVAFLNQLIMSSY-UKRRQHHQSA-N	1	0	347.463	0.806	40	0	biogenic,in-vitro	ECABRO
O=C(c1ccnnc1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096054388	436505886	/nfs/dbraw/zinc/50/58/86/436505886.db2.gz	USZFNHCJPFIJGV-CVEARBPZSA-N	1	0	331.420	0.098	40	0		ECABRO
Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@H]2CNS(C)(=O)=O)C1	ZINC000096064306	436507743	/nfs/dbraw/zinc/50/77/43/436507743.db2.gz	ZYPRUWRLHZZJFC-NFAWXSAZSA-N	1	0	343.449	0.678	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2cnccn2)C3)CC1	ZINC000096070116	436509933	/nfs/dbraw/zinc/50/99/33/436509933.db2.gz	CBJNXMXIBYDYNE-UHFFFAOYSA-N	1	0	341.419	0.077	40	0		ECABRO
CS(=O)(=O)N[C@H]1CCO[C@]2(CC[N@H+](CC3CCOCC3)C2)C1	ZINC000096107884	436511891	/nfs/dbraw/zinc/51/18/91/436511891.db2.gz	VTKHFWUULBSARH-LSDHHAIUSA-N	1	0	332.466	0.586	40	0		ECABRO
C[NH+]1CCC(NC(=O)[C@H]2CO[C@@H]3CN(c4ccncn4)C[C@H]23)CC1	ZINC000096215898	436524541	/nfs/dbraw/zinc/52/45/41/436524541.db2.gz	ZMKUADVDPBLILG-QLFBSQMISA-N	1	0	331.420	0.138	40	0		ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccoc1)C2)c1ccnnc1	ZINC000096214967	436524831	/nfs/dbraw/zinc/52/48/31/436524831.db2.gz	QAGNTQRALRROMN-WBVHZDCISA-N	1	0	328.372	0.948	40	0		ECABRO
COCCNC(=O)[C@H]1CO[C@@H]2C[N@H+](Cc3ccc(OC)cc3)C[C@H]12	ZINC000096218562	436525335	/nfs/dbraw/zinc/52/53/35/436525335.db2.gz	GPCGPXFKLFQBRT-IXDOHACOSA-N	1	0	334.416	0.905	40	0		ECABRO
CCOCC(=O)N1CCC[C@@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1	ZINC000096228427	436527424	/nfs/dbraw/zinc/52/74/24/436527424.db2.gz	IMBHBEWGFBLDQF-DOTOQJQBSA-N	1	0	326.437	0.753	40	0		ECABRO
O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]C2CCC2)[C@@H]1O)c1ccccc1	ZINC000096296117	436530677	/nfs/dbraw/zinc/53/06/77/436530677.db2.gz	GYBKFNSMKJNJFR-KFWWJZLASA-N	1	0	326.418	0.235	40	0	biogenic,in-vitro	ECABRO
COc1cc(-c2nnc(CN3CC[NH2+]CC3)[nH]2)cc(OC)c1OC	ZINC000064875467	436650404	/nfs/dbraw/zinc/65/04/04/436650404.db2.gz	XFBITFYPBZDADK-UHFFFAOYSA-N	1	0	333.392	0.903	40	0		ECABRO
C[C@@]1(O)CC[N@H+](CC2CCOCC2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257228837	436858602	/nfs/dbraw/zinc/85/86/02/436858602.db2.gz	FVLOZGXNAFAQEM-CXAGYDPISA-N	1	0	346.435	0.833	40	0		ECABRO
Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnccn3)C2)s1	ZINC000257303119	436866439	/nfs/dbraw/zinc/86/64/39/436866439.db2.gz	SFVOJSGYOPQPDS-ZBFHGGJFSA-N	1	0	348.428	0.184	40	0		ECABRO
CC(C)n1ccnc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257302899	436866920	/nfs/dbraw/zinc/86/69/20/436866920.db2.gz	SEWVUFDXFIWACS-HNNXBMFYSA-N	1	0	349.479	0.862	40	0		ECABRO
Nc1ncnc2c1ncn2[C@H]1CCCC[C@H](NC(=O)CCC[NH3+])[C@@H]1O	ZINC000257323639	436869611	/nfs/dbraw/zinc/86/96/11/436869611.db2.gz	WLFUCBPRUZJTTO-MJVIPROJSA-N	1	0	347.423	0.108	40	0		ECABRO
CC(=O)N1C[C@H](O)C[C@@H]([NH2+]Cc2ccc(OCCF)cc2)[C@H](O)C1	ZINC000257331687	436871808	/nfs/dbraw/zinc/87/18/08/436871808.db2.gz	XTUZTRCQQRQZLH-DJIMGWMZSA-N	1	0	340.395	0.467	40	0		ECABRO
Cn1cc(-c2cc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)no2)cn1	ZINC000257341931	436873841	/nfs/dbraw/zinc/87/38/41/436873841.db2.gz	ZMMANWOZNNCCGR-ZIAGYGMSSA-N	1	0	331.376	0.356	40	0		ECABRO
[NH3+]Cc1cnn(-c2ccccc2C(=O)NCCN2CCOCC2)c1	ZINC000257334212	436875232	/nfs/dbraw/zinc/87/52/32/436875232.db2.gz	YFAQEHNOOPDROX-UHFFFAOYSA-N	1	0	329.404	0.393	40	0		ECABRO
CC(C)NC(=O)c1ccccc1NC(=O)C(=O)NCCC[NH+](C)C	ZINC000408708872	438583483	/nfs/dbraw/zinc/58/34/83/438583483.db2.gz	MPUDCQIQHMQEDO-UHFFFAOYSA-N	1	0	334.420	0.831	40	0		ECABRO
COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)c2ccccc2)[C@H]1O	ZINC000514289161	438813125	/nfs/dbraw/zinc/81/31/25/438813125.db2.gz	WNWGNWNIJSRSSE-LTIDMASMSA-N	1	0	334.416	0.656	40	0	biogenic,in-vitro	ECABRO
O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(C[NH+](CC4CC4)C3)N2C1	ZINC000514289849	438813642	/nfs/dbraw/zinc/81/36/42/438813642.db2.gz	PGKWQWZEYZQHKJ-QZTJIDSGSA-N	1	0	328.460	0.797	40	0	biogenic,in-vitro	ECABRO
C[NH+]1CCN(C[C@@H]2OC[C@H]([NH2+]C3CCC(F)(F)CC3)[C@H]2O)CC1	ZINC000514288521	438813852	/nfs/dbraw/zinc/81/38/52/438813852.db2.gz	HEYZFNIOUWKJJS-SOUVJXGZSA-N	1	0	333.423	0.530	40	0	biogenic,in-vitro	ECABRO
COc1ccc(CN2CC3(C2)CN(C(C)=O)C[C@@H]2C[C@@H](O)CN23)cc1	ZINC000514289789	438814025	/nfs/dbraw/zinc/81/40/25/438814025.db2.gz	OPSLHBOCUDJICD-DLBZAZTESA-N	1	0	345.443	0.547	40	0	biogenic,in-vitro	ECABRO
COCC[N@@H+]1CCC[C@]2(CCC(=O)N2CCS(C)(=O)=O)CC1	ZINC000585100524	439629523	/nfs/dbraw/zinc/62/95/23/439629523.db2.gz	MDYOYYVAQIREAV-HNNXBMFYSA-N	1	0	332.466	0.525	40	0		ECABRO
C[NH+](C)CC(=O)N1CCOC[C@](O)(COc2ccc(F)cc2)C1	ZINC000585269298	439636488	/nfs/dbraw/zinc/63/64/88/439636488.db2.gz	OLFUGJLGTGJESJ-INIZCTEOSA-N	1	0	326.368	0.356	40	0		ECABRO
CNC(=O)C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C)cc2)C[C@@H]1OC	ZINC000585277236	439636502	/nfs/dbraw/zinc/63/65/02/439636502.db2.gz	HDDLMOYGUYSQIR-CVEARBPZSA-N	1	0	333.432	0.694	40	0		ECABRO
CNC(=O)CC[C@@]1(O)CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000585279657	439638202	/nfs/dbraw/zinc/63/82/02/439638202.db2.gz	WUPKUCFHHQAIRG-SFHVURJKSA-N	1	0	339.480	0.987	40	0		ECABRO
O[C@@H]1COC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]1O	ZINC000585285371	439639576	/nfs/dbraw/zinc/63/95/76/439639576.db2.gz	BNQFOBNRABKHHJ-BZPMIXESSA-N	1	0	329.780	0.712	40	0		ECABRO
Cc1cc(CN2CC3(C2)C[C@H](COCC(=O)N(C)C)C[N@@H+]3C)[nH]n1	ZINC000585093760	439627252	/nfs/dbraw/zinc/62/72/52/439627252.db2.gz	CYQRPORRLCTEOT-AWEZNQCLSA-N	1	0	335.452	0.329	40	0		ECABRO
O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCNC[C@@H]1c1ccncc1	ZINC000333353778	320916014	/nfs/dbraw/zinc/91/60/14/320916014.db2.gz	BQHDKFTVNGJSTJ-GDBMZVCRSA-N	1	0	341.419	0.384	40	0		ECABRO
CCCn1nc(C)c(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)NC)C2)c1C	ZINC000257265977	535621585	/nfs/dbraw/zinc/62/15/85/535621585.db2.gz	MBBZJRGTRNXPTR-CQSZACIVSA-N	1	0	335.452	0.660	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cnc3ccccc3c2)CC[N@H+](C)C1	ZINC000257227597	536398930	/nfs/dbraw/zinc/39/89/30/536398930.db2.gz	FQARPUKVFBCRFT-HNNXBMFYSA-N	1	0	326.400	0.985	40	0		ECABRO
COc1cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)ncn1	ZINC000096067978	721508433	/nfs/dbraw/zinc/50/84/33/721508433.db2.gz	OADGJYJTCZKTOS-UHFFFAOYSA-N	1	0	343.435	0.449	40	0		ECABRO
O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298935	734890779	/nfs/dbraw/zinc/89/07/79/734890779.db2.gz	FEULKVYAGBVSJI-XYPHTWIQSA-N	1	0	347.463	0.930	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCN1CCOCC2(CCN(C(=O)[C@H]3CCOC3)CC2)C1	ZINC000096239848	282101369	/nfs/dbraw/zinc/10/13/69/282101369.db2.gz	NUKCGTYYHWVFMT-INIZCTEOSA-N	1	0	339.480	0.526	40	0		ECABRO
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nc([C@H]2CCC[N@@H+](C)C2)n1	ZINC000072365918	216171440	/nfs/dbraw/zinc/17/14/40/216171440.db2.gz	VDHACTDAJDCNRL-AWEZNQCLSA-N	1	0	345.447	0.932	40	0		ECABRO
CC(C)[NH2+]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ccccc2)CC1	ZINC000020464873	212134575	/nfs/dbraw/zinc/13/45/75/212134575.db2.gz	WVNATQWXXVXRBG-YDZRNGNQSA-N	1	0	349.475	0.296	40	0	biogenic,in-vitro	ECABRO
C[NH2+]CC(=O)N1CCC[C@H](c2cncc(Nc3cnccn3)n2)C1	ZINC000257217773	244174731	/nfs/dbraw/zinc/17/47/31/244174731.db2.gz	DANXRQFXHLMLDP-LBPRGKRZSA-N	1	0	327.392	0.936	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2cccn2)C1	ZINC000257216184	244167385	/nfs/dbraw/zinc/16/73/85/244167385.db2.gz	CTMJKNCGXZDROG-GOSISDBHSA-N	1	0	343.431	0.764	40	0		ECABRO
CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)CCn1ncc2ccccc21	ZINC000257216596	244169289	/nfs/dbraw/zinc/16/92/89/244169289.db2.gz	CVGLETRGPCAOKP-KGLIPLIRSA-N	1	0	329.404	0.219	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257224651	244194705	/nfs/dbraw/zinc/19/47/05/244194705.db2.gz	FCSVWCGCMQZJGH-KRWDZBQOSA-N	1	0	329.404	0.426	40	0		ECABRO
Cc1nccc(C(=O)N2CC[C@H](O)[C@@H]([N@H+](C)C3CCOCC3)CC2)n1	ZINC000257240468	244241045	/nfs/dbraw/zinc/24/10/45/244241045.db2.gz	HTPNEKJXORIVRU-IRXDYDNUSA-N	1	0	348.447	0.861	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)Cc2cc(C)ccc2OC)CC[N@H+](C)C1	ZINC000257250431	244268858	/nfs/dbraw/zinc/26/88/58/244268858.db2.gz	JMMPMCFPYHJPFR-OAHLLOKOSA-N	1	0	333.432	0.682	40	0		ECABRO
O=C(c1ccc(=O)[nH]c1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1	ZINC000257254103	244276206	/nfs/dbraw/zinc/27/62/06/244276206.db2.gz	KBPVCHDBJCVFNF-KRWDZBQOSA-N	1	0	335.404	0.477	40	0		ECABRO
[NH3+]CCCOc1cccc(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1	ZINC000257262403	244349569	/nfs/dbraw/zinc/34/95/69/244349569.db2.gz	LLGAQOBJRYQQNO-LSDHHAIUSA-N	1	0	333.388	0.144	40	0		ECABRO
NC(=O)[C@H]1CCC[N@H+](CCN2CCN3CCc4cccc(c43)C2=O)C1	ZINC000019346804	212019305	/nfs/dbraw/zinc/01/93/05/212019305.db2.gz	BYVJTIBECGJXLT-HNNXBMFYSA-N	1	0	342.443	0.702	40	0		ECABRO
CC[NH+](CC)CCN1CC(=O)N2Cc3ccccc3CN2C(=O)C1	ZINC000019364783	276098310	/nfs/dbraw/zinc/09/83/10/276098310.db2.gz	SJCULHUSAZAQGA-UHFFFAOYSA-N	1	0	330.432	0.930	40	0		ECABRO
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000000000731	435950685	/nfs/dbraw/zinc/95/06/85/435950685.db2.gz	QCKAYJICSQJJCU-SNVBAGLBSA-N	1	0	327.406	0.167	40	0	in-man	ECABRO
COc1cc(COC[C@@H](O)C[NH2+]C(C)(C)CO)cc(OC)c1OC	ZINC000026781244	436167165	/nfs/dbraw/zinc/16/71/65/436167165.db2.gz	RUFJYIBHKOLMCN-ZDUSSCGKSA-N	1	0	343.420	0.950	40	0		ECABRO
O=C(Cc1ccccn1)N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC000096183381	436519702	/nfs/dbraw/zinc/51/97/02/436519702.db2.gz	JKUMCTUOCQLHJC-JKSUJKDBSA-N	1	0	339.399	0.778	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)c1ccno1)CC2	ZINC000096196654	436521220	/nfs/dbraw/zinc/52/12/20/436521220.db2.gz	HGBUNTTYANVAFE-UHFFFAOYSA-N	1	0	330.388	0.639	40	0		ECABRO
Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCOCC4)[C@@H]3C2)n1	ZINC000096038599	436504585	/nfs/dbraw/zinc/50/45/85/436504585.db2.gz	HPDVAEQAJXFGJX-KBAYOESNSA-N	1	0	345.443	0.943	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)N1CCCC1)C2	ZINC000096045467	436506162	/nfs/dbraw/zinc/50/61/62/436506162.db2.gz	MHLXVUTWQPGCHG-ZDUSSCGKSA-N	1	0	336.440	0.508	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C)cn1	ZINC000096050345	436507096	/nfs/dbraw/zinc/50/70/96/436507096.db2.gz	IOWLBBMCFJQSIY-QGZVFWFLSA-N	1	0	343.435	0.077	40	0		ECABRO
C[NH+](C)CCN1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2C1=O	ZINC000096244957	436526536	/nfs/dbraw/zinc/52/65/36/436526536.db2.gz	AQDOYHVOWXFMQG-NEPJUHHUSA-N	1	0	343.474	0.389	40	0		ECABRO
O=C(c1cc[nH]n1)N1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@@H]2CC1	ZINC000096249363	436528788	/nfs/dbraw/zinc/52/87/88/436528788.db2.gz	UXSRZGKLEXRRDU-IAGOWNOFSA-N	1	0	347.463	0.811	40	0		ECABRO
C[NH+](C)CC(=O)N1CCn2c(COCc3cccnc3)nnc2C1	ZINC000096259065	436528940	/nfs/dbraw/zinc/52/89/40/436528940.db2.gz	YDSMLEWLAHIDBE-UHFFFAOYSA-N	1	0	330.392	0.294	40	0		ECABRO
CN(C)C(=O)COC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2Cc2cnn(C)c2)O1	ZINC000247949633	436797946	/nfs/dbraw/zinc/79/79/46/436797946.db2.gz	BTTOWSKXFUWLKC-JYJNAYRXSA-N	1	0	336.436	0.647	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4cccnc4)[C@H]3C2)cn1	ZINC000248153667	436800497	/nfs/dbraw/zinc/80/04/97/436800497.db2.gz	VBMXTYAWVCLPKG-GVDBMIGSSA-N	1	0	341.415	0.692	40	0		ECABRO
[NH3+]Cc1cnn(-c2ccccc2C(=O)NCCCN2CCOCC2)c1	ZINC000257290810	436863546	/nfs/dbraw/zinc/86/35/46/436863546.db2.gz	QEKLOSNTEHZNML-UHFFFAOYSA-N	1	0	343.431	0.783	40	0		ECABRO
CNC(=O)[C@]1(CCCc2cnccn2)CCCN(C(=O)C(C)(C)[NH3+])C1	ZINC000257292858	436864480	/nfs/dbraw/zinc/86/44/80/436864480.db2.gz	QNFLTSJYXGHCSA-GOSISDBHSA-N	1	0	347.463	0.891	40	0		ECABRO
Cc1cc(C)n(CC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)n1	ZINC000257297993	436866492	/nfs/dbraw/zinc/86/64/92/436866492.db2.gz	RJQSULZQNVWFGM-IRXDYDNUSA-N	1	0	349.479	0.099	40	0		ECABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@H](CCc3ccncn3)C2)CC1	ZINC000257318437	436870008	/nfs/dbraw/zinc/87/00/08/436870008.db2.gz	VNWYJJWYSDWQRZ-QGZVFWFLSA-N	1	0	348.447	0.483	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257314443	436870206	/nfs/dbraw/zinc/87/02/06/436870206.db2.gz	UWZHXTOUXDETOE-AWEZNQCLSA-N	1	0	335.452	0.411	40	0		ECABRO
O=c1ccn([C@H]2C[C@@H](C[NH2+]Cc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1	ZINC000257314075	436870717	/nfs/dbraw/zinc/87/07/17/436870717.db2.gz	UVERJHHJOIAHKY-UGQVUOCMSA-N	1	0	331.372	0.022	40	0		ECABRO
CC(=O)N1CCCN(C(=O)[C@H]2CN(c3ccc(F)cc3)CC[NH2+]2)CC1	ZINC000257336740	436875608	/nfs/dbraw/zinc/87/56/08/436875608.db2.gz	YPUPNZXYYCFADL-QGZVFWFLSA-N	1	0	348.422	0.685	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](C[NH+]2CCCCC2)C1	ZINC000306142093	437166894	/nfs/dbraw/zinc/16/68/94/437166894.db2.gz	WPGPITCHIFOFNJ-AWEZNQCLSA-N	1	0	327.454	0.532	40	0		ECABRO
CCc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575420138	438748424	/nfs/dbraw/zinc/74/84/24/438748424.db2.gz	GGXPJMNAUMKENB-CYBMUJFWSA-N	1	0	346.474	0.386	40	0		ECABRO
Cc1ccc(C)c(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)c1	ZINC000575420858	438748810	/nfs/dbraw/zinc/74/88/10/438748810.db2.gz	FSEFGODCFCXRRH-ZDUSSCGKSA-N	1	0	346.474	0.440	40	0		ECABRO
O=C(c1ccccc1)N1CC2(C1)C[N@H+](CCCO)C[C@H]1C[C@@H](O)CN12	ZINC000514289880	438812186	/nfs/dbraw/zinc/81/21/86/438812186.db2.gz	PLYKKEUBAOJEEU-IAGOWNOFSA-N	1	0	345.443	0.014	40	0	biogenic,in-vitro	ECABRO
CC(C)(C)CC[NH+]1CC2(C1)CN(S(C)(=O)=O)C[C@@H]1COCCN12	ZINC000604381991	439312577	/nfs/dbraw/zinc/31/25/77/439312577.db2.gz	XZRKAMUQAWVNLM-CQSZACIVSA-N	1	0	345.509	0.453	40	0	biogenic,in-vitro	ECABRO
CNC(=O)C[C@@H]1CN(C(=O)C[N@H+](C)C2CCCC2)CC[C@H]1OC	ZINC000585276136	439637538	/nfs/dbraw/zinc/63/75/38/439637538.db2.gz	KEAQGDVKUNDAPN-UKRRQHHQSA-N	1	0	325.453	0.860	40	0		ECABRO
C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)cc2)C[C@@H]1O	ZINC000585284402	439639947	/nfs/dbraw/zinc/63/99/47/439639947.db2.gz	FKQTYUXPXQNYLS-HOCLYGCPSA-N	1	0	326.824	0.768	40	0		ECABRO
CC(C)[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O	ZINC000585290884	439641366	/nfs/dbraw/zinc/64/13/66/439641366.db2.gz	XBBNSXCJMNQCFL-CABCVRRESA-N	1	0	328.434	0.171	40	0		ECABRO
CCn1ncc(S(=O)(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)c1C	ZINC000257330151	535829106	/nfs/dbraw/zinc/82/91/06/535829106.db2.gz	XNCDSHHAAUVABO-STQMWFEESA-N	1	0	330.454	0.287	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257271559	536397900	/nfs/dbraw/zinc/39/79/00/536397900.db2.gz	MYUVIGYLELGYMV-OAHLLOKOSA-N	1	0	346.431	0.381	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CC[N@H+](C)C1	ZINC000257212794	536399104	/nfs/dbraw/zinc/39/91/04/536399104.db2.gz	CEYVALPJRMNXEI-AWEZNQCLSA-N	1	0	342.403	0.017	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccoc1)C2	ZINC000096045447	282108630	/nfs/dbraw/zinc/10/86/30/282108630.db2.gz	SYSOQMKAQYPDGG-ZDUSSCGKSA-N	1	0	333.392	0.726	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCOCC3)C2)cn1	ZINC000097953634	219065062	/nfs/dbraw/zinc/06/50/62/219065062.db2.gz	AULXAHCGXKOWCN-HRCADAONSA-N	1	0	334.420	0.116	40	0		ECABRO
[NH3+]CCCC[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000034263536	212976377	/nfs/dbraw/zinc/97/63/77/212976377.db2.gz	RVKIPWVMZANZLI-HIFRSBDPSA-N	1	0	332.404	0.736	40	0	endogenous,in-man	ECABRO
C[NH2+]CC(=O)N1CC[C@@H](c2nc(C)cc(Nc3cnccn3)n2)C1	ZINC000072383032	216184092	/nfs/dbraw/zinc/18/40/92/216184092.db2.gz	XXONPFREIVHLDY-GFCCVEGCSA-N	1	0	327.392	0.854	40	0		ECABRO
Cc1cccc(C[N@@H+]2CCOC[C@H](Cc3cc(C(N)=O)ncn3)C2)n1	ZINC000072388307	216187563	/nfs/dbraw/zinc/18/75/63/216187563.db2.gz	PCVQQEXZKLHPDC-CQSZACIVSA-N	1	0	341.415	0.970	40	0		ECABRO
Cc1noc(C)c1C[NH2+][C@@H]1C[C@H](Cn2cc(C3CC3)nn2)[C@@H](O)[C@H]1O	ZINC000225500697	241901715	/nfs/dbraw/zinc/90/17/15/241901715.db2.gz	XYAKCJPFAXEUJZ-WNOSKKOXSA-N	1	0	347.419	0.660	40	0	biogenic,in-vitro	ECABRO
CN(C)C(=O)COC[C@@H]1CCOC12C[NH+](CC1CCOCC1)C2	ZINC000247956131	243491492	/nfs/dbraw/zinc/49/14/92/243491492.db2.gz	CZLDPRWDACXMAO-HNNXBMFYSA-N	1	0	326.437	0.609	40	0		ECABRO
CCS(=O)(=O)NCC[C@@H]1CCOC12C[NH+](CC1CCOCC1)C2	ZINC000253492454	244004671	/nfs/dbraw/zinc/00/46/71/244004671.db2.gz	PWPKGKQDUBUECM-OAHLLOKOSA-N	1	0	346.493	0.833	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCN2CCc3ccccc32)CC[N@H+](C)C1	ZINC000257218269	244172954	/nfs/dbraw/zinc/17/29/54/244172954.db2.gz	DCLVLIUUONNDNK-MRXNPFEDSA-N	1	0	344.459	0.575	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1	ZINC000257215755	244166049	/nfs/dbraw/zinc/16/60/49/244166049.db2.gz	CRMQBIZVPDNECR-OAHLLOKOSA-N	1	0	335.452	0.079	40	0		ECABRO
CC(C)(C)c1cc(C(=O)N2[C@@H](CC(N)=O)CC[C@H]2C[NH3+])[nH]c(=O)n1	ZINC000257219859	244181457	/nfs/dbraw/zinc/18/14/57/244181457.db2.gz	DIMVBNBLOARSJV-ZJUUUORDSA-N	1	0	335.408	0.287	40	0		ECABRO
COCCN1C[C@H](c2cc(N(C)C)nc(C3CC[NH2+]CC3)n2)CC1=O	ZINC000257237715	244233762	/nfs/dbraw/zinc/23/37/62/244233762.db2.gz	HHVKCHRWTJQGCL-CQSZACIVSA-N	1	0	347.463	0.972	40	0		ECABRO
CC[NH+]1CCN(C2=N[C@H](C(=O)Nc3ccccc3C)CC(=O)N2)CC1	ZINC000020029554	212094244	/nfs/dbraw/zinc/09/42/44/212094244.db2.gz	VOKQLQWVFTUGJF-HNNXBMFYSA-N	1	0	343.431	0.816	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257261698	244349375	/nfs/dbraw/zinc/34/93/75/244349375.db2.gz	LILFGVATHBRKFH-AWEZNQCLSA-N	1	0	346.431	0.381	40	0		ECABRO
COc1ccc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cc1	ZINC000257273773	244386118	/nfs/dbraw/zinc/38/61/18/244386118.db2.gz	NICXPDQMBMSVGZ-GOSISDBHSA-N	1	0	333.432	0.520	40	0		ECABRO
Cn1ccnc1C(=O)N[C@H]1C[N@@H+](C2CCOCC2)[C@@H]2CCCO[C@@H]21	ZINC000096186889	218652719	/nfs/dbraw/zinc/65/27/19/218652719.db2.gz	IQORYKWCLWYMON-RRFJBIMHSA-N	1	0	334.420	0.561	40	0		ECABRO
CC1(C)NC(=O)N(CC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)C1=O	ZINC000257241964	278406531	/nfs/dbraw/zinc/40/65/31/278406531.db2.gz	IAKUDXGURPCJOK-ZDUSSCGKSA-N	1	0	330.388	0.490	40	0		ECABRO
CN([C@@H](C(=O)NCCC[NH+](C)C)c1ccccc1)S(C)(=O)=O	ZINC000224698665	289116325	/nfs/dbraw/zinc/11/63/25/289116325.db2.gz	MFNBROCARKYXBV-CQSZACIVSA-N	1	0	327.450	0.687	40	0		ECABRO
CN(C)c1cccc(Oc2nnnn2[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH3+])c1	ZINC000003842020	435976866	/nfs/dbraw/zinc/97/68/66/435976866.db2.gz	YXUGJOAWRMPQDZ-IGQOVBAYSA-N	1	0	332.364	0.197	40	0	biogenic,in-vitro	ECABRO
CN(C)c1cc(CN(C)S(=O)(=O)N(C)C)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019760274	436108018	/nfs/dbraw/zinc/10/80/18/436108018.db2.gz	YJRPZECGHUBNQW-LBPRGKRZSA-N	1	0	342.469	0.205	40	0		ECABRO
CC(=O)N[C@]12C[NH2+]C[C@H]1CN(Cc1ccnc(N3CCCC3)n1)CC2	ZINC000019713067	436109023	/nfs/dbraw/zinc/10/90/23/436109023.db2.gz	IKQSYXQVIURFBL-MAUKXSAKSA-N	1	0	344.463	0.377	40	0		ECABRO
CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)CC1	ZINC000077265380	436230757	/nfs/dbraw/zinc/23/07/57/436230757.db2.gz	QVLJHRLMZVOVTM-ZACQAIPSSA-N	1	0	333.432	0.229	40	0	biogenic,in-vitro	ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)cn1	ZINC000096108804	436514174	/nfs/dbraw/zinc/51/41/74/436514174.db2.gz	UPVKKBOQNZHTSB-AEFFLSMTSA-N	1	0	348.447	0.508	40	0		ECABRO
O=C(c1ccnnc1)N1CCOC[C@]2(CC[C@H](C[NH+]3CCCC3)O2)C1	ZINC000096160280	436518244	/nfs/dbraw/zinc/51/82/44/436518244.db2.gz	QTKKXSGBEKJXKG-AEFFLSMTSA-N	1	0	346.431	0.963	40	0		ECABRO
Cc1noc(C)c1C[N@@H+]1CC[C@@H]2O[C@H](C(=O)N3CCOCC3)C[C@@H]21	ZINC000096186572	436518913	/nfs/dbraw/zinc/51/89/13/436518913.db2.gz	GYRYGXRMYNRWEO-JYJNAYRXSA-N	1	0	335.404	0.882	40	0		ECABRO
Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@@H]2CCOC2)[C@@H]2CCCO[C@H]12	ZINC000096185933	436519209	/nfs/dbraw/zinc/51/92/09/436519209.db2.gz	COABLFHCUBWNOP-GBJTYRQASA-N	1	0	334.420	0.418	40	0		ECABRO
C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)CC1	ZINC000096043245	436504930	/nfs/dbraw/zinc/50/49/30/436504930.db2.gz	VPTDWWHIDQVMQD-IMJJTQAJSA-N	1	0	345.447	0.671	40	0		ECABRO
CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CC[N@H+](CC1CC1)C2	ZINC000096050463	436506480	/nfs/dbraw/zinc/50/64/80/436506480.db2.gz	PHRSDTAZSNQKLS-KRWDZBQOSA-N	1	0	331.420	0.470	40	0		ECABRO
CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1	ZINC000096062624	436508039	/nfs/dbraw/zinc/50/80/39/436508039.db2.gz	VRCGOKKWAMWHGW-OAHLLOKOSA-N	1	0	341.415	0.914	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1nccn1C)CC2	ZINC000096073132	436510140	/nfs/dbraw/zinc/51/01/40/436510140.db2.gz	ATNBSHYPNWMXHA-AWEZNQCLSA-N	1	0	336.436	0.648	40	0		ECABRO
CN(C)S(=O)(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1	ZINC000096108001	436511860	/nfs/dbraw/zinc/51/18/60/436511860.db2.gz	ZZUXAAMFRFUOLU-LSDHHAIUSA-N	1	0	331.482	0.616	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NC3CC(F)(F)C3)C2)cn1	ZINC000096207095	436523340	/nfs/dbraw/zinc/52/33/40/436523340.db2.gz	ZZLYTFBHZPTNFO-IUODEOHRSA-N	1	0	340.374	0.782	40	0		ECABRO
COc1ccc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)cc1	ZINC000108533228	436619556	/nfs/dbraw/zinc/61/95/56/436619556.db2.gz	JMNBKBQGAQWIMS-HOTGVXAUSA-N	1	0	340.445	0.930	40	0		ECABRO
COC[C@@H]1CN(S(C)(=O)=O)CC12CC[NH+](C1CCOCC1)CC2	ZINC000247834808	436797251	/nfs/dbraw/zinc/79/72/51/436797251.db2.gz	IULBTURWGISPLX-AWEZNQCLSA-N	1	0	346.493	0.785	40	0		ECABRO
CCn1ncc(S(=O)(=O)N[C@@H]2CC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1C	ZINC000257343284	436874349	/nfs/dbraw/zinc/87/43/49/436874349.db2.gz	ZSGYBQMUCCILSC-UMVBOHGHSA-N	1	0	342.465	0.477	40	0		ECABRO
C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1O	ZINC000257337696	436874607	/nfs/dbraw/zinc/87/46/07/436874607.db2.gz	YTZYQZRMFDOTRP-HZPDHXFCSA-N	1	0	332.379	0.726	40	0		ECABRO
CCn1ncc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)c1C	ZINC000257289734	436863488	/nfs/dbraw/zinc/86/34/88/436863488.db2.gz	PZZAIDUFMRLNOQ-CHWSQXEVSA-N	1	0	328.438	0.041	40	0		ECABRO
CN(C[C@]1(O)CCN(c2ccnc3cccnc32)C1)C(=O)CCC[NH3+]	ZINC000257291651	436864807	/nfs/dbraw/zinc/86/48/07/436864807.db2.gz	QHZVFSTYQFPCPZ-GOSISDBHSA-N	1	0	343.431	0.768	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](CCOc2ccc(F)cc2)C1	ZINC000257303921	436865563	/nfs/dbraw/zinc/86/55/63/436865563.db2.gz	SJHWVWGJBVXQKG-AWEZNQCLSA-N	1	0	337.395	0.731	40	0		ECABRO
O=C(C[NH+]1CCCC1)N1CCOC[C@H](Cc2ccc3nccn3n2)C1	ZINC000257310686	436868519	/nfs/dbraw/zinc/86/85/19/436868519.db2.gz	UGCSEBCTMJQZJJ-OAHLLOKOSA-N	1	0	343.431	0.843	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)CCc3cccs3)C2)CC1	ZINC000257309928	436868823	/nfs/dbraw/zinc/86/88/23/436868823.db2.gz	UCYAZIPSGSUWCV-KRWDZBQOSA-N	1	0	337.489	0.892	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C2	ZINC000306133918	437167588	/nfs/dbraw/zinc/16/75/88/437167588.db2.gz	MZDYBZHJDJCCFF-UONOGXRCSA-N	1	0	338.415	0.870	40	0		ECABRO
Cc1cncc(O[C@H]2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1	ZINC000575403388	438747802	/nfs/dbraw/zinc/74/78/02/438747802.db2.gz	IXZOVKOPTFFYRG-AWEZNQCLSA-N	1	0	334.420	0.876	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCn2cnc3ccccc32)CC[N@H+](C)C1	ZINC000585182336	439635348	/nfs/dbraw/zinc/63/53/48/439635348.db2.gz	PVOUQJVAMACBCB-CQSZACIVSA-N	1	0	343.431	0.563	40	0		ECABRO
O=C(Cc1ccccc1)N1CC[C@](O)(C[NH+]2CCC(O)CC2)[C@@H](O)C1	ZINC000585285839	439639594	/nfs/dbraw/zinc/63/95/94/439639594.db2.gz	UJNGPWCMDCZXBQ-HKUYNNGSSA-N	1	0	348.443	0.010	40	0		ECABRO
O=C(CCc1ccccc1)N1CC[C@](O)(C[NH2+]CC2CC2)[C@@H](O)C1	ZINC000585285073	439639734	/nfs/dbraw/zinc/63/97/34/439639734.db2.gz	NUOLSQKKCAISEK-HKUYNNGSSA-N	1	0	332.444	0.943	40	0		ECABRO
CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@](C)(C(=O)NC)C2)CC1	ZINC000585282972	439640226	/nfs/dbraw/zinc/64/02/26/439640226.db2.gz	LBFCERPIOQAPSP-INIZCTEOSA-N	1	0	341.452	0.818	40	0		ECABRO
C[N@@H+]1C[C@H](COCC(=O)N2CCCC2)CC12CN(Cc1cn[nH]c1)C2	ZINC000585093733	439628090	/nfs/dbraw/zinc/62/80/90/439628090.db2.gz	AVTYNOZOBUYBOO-OAHLLOKOSA-N	1	0	347.463	0.555	40	0		ECABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000257231709	536400590	/nfs/dbraw/zinc/40/05/90/536400590.db2.gz	GHXIAXYMPBVVQM-HNNXBMFYSA-N	1	0	339.461	0.434	40	0		ECABRO
C[NH+](C)CCN1CCOCC2(CCN(C(=O)[C@@H]3CCCO3)CC2)C1	ZINC000096239851	282101450	/nfs/dbraw/zinc/10/14/50/282101450.db2.gz	PNOLVYQXWBICQA-INIZCTEOSA-N	1	0	339.480	0.668	40	0		ECABRO
C[NH+](C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)C1CC1)CCC2	ZINC000096197549	282144806	/nfs/dbraw/zinc/14/48/06/282144806.db2.gz	QDXHHDZQUIDSJD-UHFFFAOYSA-N	1	0	326.422	0.003	40	0		ECABRO
[NH3+]CCOCCOCCOCCNC(=O)OCc1ccccc1	ZINC000104530257	219393695	/nfs/dbraw/zinc/39/36/95/219393695.db2.gz	JKGORDLYOYIQQV-UHFFFAOYSA-N	1	0	326.393	0.921	40	0		ECABRO
Cc1cccc(C[N@@H+]2CCOC[C@@H](Cc3cc(C(N)=O)ncn3)C2)n1	ZINC000072388308	216187619	/nfs/dbraw/zinc/18/76/19/216187619.db2.gz	PCVQQEXZKLHPDC-AWEZNQCLSA-N	1	0	341.415	0.970	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O	ZINC000218070493	241295093	/nfs/dbraw/zinc/29/50/93/241295093.db2.gz	PFDNRDUVVJRKFR-KCQAQPDRSA-N	1	0	327.402	0.714	40	0		ECABRO
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])COC	ZINC000218145740	241301501	/nfs/dbraw/zinc/30/15/01/241301501.db2.gz	LLXSNSPNPDJJQN-RBSFLKMASA-N	1	0	327.402	0.907	40	0		ECABRO
CCS(=O)(=O)[C@H]1[C@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])COC	ZINC000218145967	241302586	/nfs/dbraw/zinc/30/25/86/241302586.db2.gz	LLXSNSPNPDJJQN-SOUVJXGZSA-N	1	0	327.402	0.907	40	0		ECABRO
Cn1nccc1C(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1	ZINC000257200372	244118564	/nfs/dbraw/zinc/11/85/64/244118564.db2.gz	ACZRYULCYAFFTB-HOCLYGCPSA-N	1	0	336.436	0.496	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2cccs2)C[C@H]1O)c1cnc[nH]1	ZINC000257224147	244195850	/nfs/dbraw/zinc/19/58/50/244195850.db2.gz	FAMVMFBWRIXYEZ-UKRRQHHQSA-N	1	0	336.417	0.199	40	0		ECABRO
NC(=O)[C@H]1CN(C(=O)c2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257245756	244254676	/nfs/dbraw/zinc/25/46/76/244254676.db2.gz	IQYVJOCYUUNFFE-CQSZACIVSA-N	1	0	332.404	0.120	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C[C@@H](C(N)=O)C1	ZINC000257240334	244241491	/nfs/dbraw/zinc/24/14/91/244241491.db2.gz	HTBIROQSQGYFHJ-KRWDZBQOSA-N	1	0	329.444	0.983	40	0		ECABRO
CNC(=O)[C@H]1CCCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1	ZINC000257241249	244246056	/nfs/dbraw/zinc/24/60/56/244246056.db2.gz	HXHZUWYCQMLQRZ-AWEZNQCLSA-N	1	0	341.415	0.929	40	0		ECABRO
CC(=O)N1CCC[C@H]1C(=O)NCc1nccnc1C1CC[NH+](C)CC1	ZINC000257266412	244364895	/nfs/dbraw/zinc/36/48/95/244364895.db2.gz	MCXMCEXRRUSNGV-INIZCTEOSA-N	1	0	345.447	0.913	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2ccnc(N3CCCC3)n2)CC[N@H+](C)C1	ZINC000257264071	244356407	/nfs/dbraw/zinc/35/64/07/244356407.db2.gz	LSUHMDPIZUUKAU-HNNXBMFYSA-N	1	0	346.479	0.529	40	0		ECABRO
O=C(CN1CCC[C@@H](c2nnc3n2CC[NH2+]CC3)C1)N1CCCCC1	ZINC000019709198	212056229	/nfs/dbraw/zinc/05/62/29/212056229.db2.gz	SUKSSIGFAGWWHW-OAHLLOKOSA-N	1	0	346.479	0.616	40	0		ECABRO
CCOCC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000096067035	286024358	/nfs/dbraw/zinc/02/43/58/286024358.db2.gz	KEIJPACNQWTZLL-OAHLLOKOSA-N	1	0	335.452	0.125	40	0		ECABRO
CC(C)[N@H+](C)C[C@H]1CO[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2	ZINC000107738736	279383669	/nfs/dbraw/zinc/38/36/69/279383669.db2.gz	VNQWLUJDJBFZHO-GOEBONIOSA-N	1	0	346.493	0.926	40	0		ECABRO
COc1ccc(N([C@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000013668567	436065122	/nfs/dbraw/zinc/06/51/22/436065122.db2.gz	PUYGGJFPJMBWQK-GFCCVEGCSA-N	1	0	343.449	0.528	40	0		ECABRO
C[N@@H+]1CC[C@@H]2[C@H]1CCCCN2C(=O)Cn1nc(C(F)(F)F)nc1N	ZINC000019712536	436109292	/nfs/dbraw/zinc/10/92/92/436109292.db2.gz	VJJYMPQBOMYDBD-NXEZZACHSA-N	1	0	346.357	0.964	40	0		ECABRO
CN(C(=O)C1CCC(CNS(C)(=O)=O)CC1)C1CC[NH+](C)CC1	ZINC000036709706	436258412	/nfs/dbraw/zinc/25/84/12/436258412.db2.gz	SSLCONCFGVLGJD-UHFFFAOYSA-N	1	0	345.509	0.895	40	0		ECABRO
Cc1cnc(N2C[C@H]3C[C@H](C(=O)N4CCN(C)CC4)[N@@H+](C)[C@H]3C2)nc1	ZINC000096182590	436519049	/nfs/dbraw/zinc/51/90/49/436519049.db2.gz	FGAQFFFYKVUWMB-OAGGEKHMSA-N	1	0	344.463	0.068	40	0		ECABRO
C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2S(=O)(=O)c1ccccc1	ZINC000096183816	436520003	/nfs/dbraw/zinc/52/00/03/436520003.db2.gz	PUSWJNSVBXOBIW-LSDHHAIUSA-N	1	0	337.445	0.612	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@H]3O[C@@H](C(=O)N4CCOCC4)CC[C@H]32)cn1	ZINC000096187243	436520182	/nfs/dbraw/zinc/52/01/82/436520182.db2.gz	UYCITWDVPXRKBD-BZUAXINKSA-N	1	0	334.420	0.401	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H](NC(=O)c1cnccn1)C2	ZINC000096189644	436520876	/nfs/dbraw/zinc/52/08/76/436520876.db2.gz	PKUIWPSGTDLUOE-AWEZNQCLSA-N	1	0	341.415	0.487	40	0		ECABRO
C[N@@H+](Cc1ccco1)C[C@H]1Cn2ccnc2CN(S(C)(=O)=O)C1	ZINC000096188693	436521315	/nfs/dbraw/zinc/52/13/15/436521315.db2.gz	IOUIEIVUILDTEE-ZDUSSCGKSA-N	1	0	338.433	1.000	40	0		ECABRO
CC[NH+](CC)CCN1CCO[C@H]2[C@H](OCC(=O)N(C)C)CC[C@@H]21	ZINC000096041580	436504971	/nfs/dbraw/zinc/50/49/71/436504971.db2.gz	XSEQVZMKMLMCIU-ZMSDIMECSA-N	1	0	327.469	0.665	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3nccs3)C[C@H]21	ZINC000096057191	436506735	/nfs/dbraw/zinc/50/67/35/436506735.db2.gz	OAYLXLNHVBXAKH-MCIONIFRSA-N	1	0	339.461	0.990	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccncc2)C3)cn1	ZINC000096061023	436508463	/nfs/dbraw/zinc/50/84/63/436508463.db2.gz	HLUCSMXXCTZOAS-CQSZACIVSA-N	1	0	325.376	0.762	40	0		ECABRO
C[NH+](C)CCN1CCC2(CCN(C(=O)c3cnccn3)CC2)C1=O	ZINC000096062934	436508727	/nfs/dbraw/zinc/50/87/27/436508727.db2.gz	SGUKGOISLPYLJO-UHFFFAOYSA-N	1	0	331.420	0.493	40	0		ECABRO
Cn1cc(C[NH2+]C[C@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cn1	ZINC000096061011	436508769	/nfs/dbraw/zinc/50/87/69/436508769.db2.gz	YLYGWYBNNRIBGP-ZDUSSCGKSA-N	1	0	328.380	0.101	40	0		ECABRO
Cn1cccc1C(=O)N1CCC2(CC1)C(=O)NCC[N@H+]2CC1CC1	ZINC000096077187	436509817	/nfs/dbraw/zinc/50/98/17/436509817.db2.gz	FUEQUGSWPLINQT-UHFFFAOYSA-N	1	0	330.432	0.842	40	0		ECABRO
O=c1n(Cc2cccc(F)c2)nc2c(N3CC[NH2+]CC3)nccn12	ZINC000096530669	436534383	/nfs/dbraw/zinc/53/43/83/436534383.db2.gz	SXRJOSFJOKYAKB-UHFFFAOYSA-N	1	0	328.351	0.488	40	0		ECABRO
NS(=O)(=O)c1ccc2c(c1)C([NH3+])c1cc(S(N)(=O)=O)ccc1-2	ZINC000225746971	436713791	/nfs/dbraw/zinc/71/37/91/436713791.db2.gz	UGLWPOVIVDBVQQ-UHFFFAOYSA-N	1	0	339.398	0.010	40	0		ECABRO
C[NH+](C)CC(=O)N1CC2(C1)C[C@@H](CCOc1cnccn1)CCO2	ZINC000247958834	436798497	/nfs/dbraw/zinc/79/84/97/436798497.db2.gz	DQIBOOYLQWFQKL-AWEZNQCLSA-N	1	0	334.420	0.815	40	0		ECABRO
C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cncnc2)C[C@H]1O	ZINC000257287545	436861357	/nfs/dbraw/zinc/86/13/57/436861357.db2.gz	PQKIMNDWCILRNN-HZPDHXFCSA-N	1	0	330.363	0.933	40	0		ECABRO
O=C(CC1(O)CCCCC1)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257287741	436861700	/nfs/dbraw/zinc/86/17/00/436861700.db2.gz	PRHUSCNAVYLVCR-QGZVFWFLSA-N	1	0	326.437	0.367	40	0		ECABRO
Cc1cn([C@H]2CC[N@H+](Cc3cccnc3)C[C@]2(C)O)c(=O)[nH]c1=O	ZINC000257295443	436862916	/nfs/dbraw/zinc/86/29/16/436862916.db2.gz	QYHKSXSOIYMTRW-YOEHRIQHSA-N	1	0	330.388	0.850	40	0		ECABRO
C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)Cc3cccnc3)C[C@@H]2C[C@@]1(C)O	ZINC000257301053	436865394	/nfs/dbraw/zinc/86/53/94/436865394.db2.gz	RWUTXKNVQVGVKX-BVIKNXMNSA-N	1	0	333.432	0.601	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)CCc3ccc(F)cc3)C2)CC1	ZINC000257296825	436866377	/nfs/dbraw/zinc/86/63/77/436866377.db2.gz	RENLMYNAJMGSDT-IBGZPJMESA-N	1	0	349.450	0.969	40	0		ECABRO
CCOc1ccc(CN2CC[N@H+](C)C[C@H](C(=O)NC)C2)cc1CO	ZINC000257324426	436872369	/nfs/dbraw/zinc/87/23/69/436872369.db2.gz	WOQBQWATPGGTSA-INIZCTEOSA-N	1	0	335.448	0.687	40	0		ECABRO
C[N@H+](CC(=O)NC[C@@]1(O)CCN(c2ncccn2)C1)C1CCCC1	ZINC000257329366	436872940	/nfs/dbraw/zinc/87/29/40/436872940.db2.gz	XJRJLZWCEJFBNV-KRWDZBQOSA-N	1	0	333.436	0.408	40	0		ECABRO
Cc1ccn(CCC(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)n1	ZINC000257336475	436874930	/nfs/dbraw/zinc/87/49/30/436874930.db2.gz	YOPYJDDAAKVFFG-IRXDYDNUSA-N	1	0	349.479	0.181	40	0		ECABRO
Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccsc3)C1)OC2	ZINC000306141752	437167936	/nfs/dbraw/zinc/16/79/36/437167936.db2.gz	WFMMQFZJKHBZNK-HNNXBMFYSA-N	1	0	334.401	0.178	40	0		ECABRO
CCNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccnc2)n1	ZINC000328963473	437294216	/nfs/dbraw/zinc/29/42/16/437294216.db2.gz	BONNZIJTIKHFDD-UHFFFAOYSA-N	1	0	341.463	0.474	40	0		ECABRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[C@]2(O)CCC[NH2+]C2)CC1	ZINC000575624142	438752232	/nfs/dbraw/zinc/75/22/32/438752232.db2.gz	MEHQIYWCSGECBO-MRXNPFEDSA-N	1	0	327.425	0.570	40	0		ECABRO
OCCCN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289528	438813211	/nfs/dbraw/zinc/81/32/11/438813211.db2.gz	NGUCWUXQWKNELA-RBUKOAKNSA-N	1	0	345.487	0.417	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)Cc1cc(=O)n2c(n1)CN(C(=O)C1CCOCC1)CCC2	ZINC000096197551	282144719	/nfs/dbraw/zinc/14/47/19/282144719.db2.gz	NQOYTQXJCAPUJV-UHFFFAOYSA-N	1	0	334.420	0.464	40	0		ECABRO
CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)c3ccncc3)C2)ncn1	ZINC000072355130	216164191	/nfs/dbraw/zinc/16/41/91/216164191.db2.gz	UMCCJKOCXSGHCC-CQSZACIVSA-N	1	0	340.431	0.842	40	0		ECABRO
Cc1nc(Nc2cnccn2)cc([C@@H]2CC[N@@H+](C(CO)CO)C2)n1	ZINC000072363668	216170554	/nfs/dbraw/zinc/17/05/54/216170554.db2.gz	KYXSHIKTYGNNNM-GFCCVEGCSA-N	1	0	330.392	0.461	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218131381	241300105	/nfs/dbraw/zinc/30/01/05/241300105.db2.gz	DPYIVCDNAIVXRK-KCQAQPDRSA-N	1	0	341.385	0.434	40	0		ECABRO
O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257205838	244134286	/nfs/dbraw/zinc/13/42/86/244134286.db2.gz	BAURDKQQHQPNTG-GOSISDBHSA-N	1	0	341.415	0.940	40	0		ECABRO
Cc1cc(S(=O)(=O)NCC[NH+](C)C)ccc1N1CCCC1=O	ZINC000020107455	212101590	/nfs/dbraw/zinc/10/15/90/212101590.db2.gz	JXLHIFPMHAFWFG-UHFFFAOYSA-N	1	0	325.434	0.962	40	0		ECABRO
CN(CC[NH+]1CCCCC1)C(=O)Cn1nc(C(F)(F)F)nc1N	ZINC000019656547	212052433	/nfs/dbraw/zinc/05/24/33/212052433.db2.gz	WMWHKOAOBXOUHZ-UHFFFAOYSA-N	1	0	334.346	0.823	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)N1CCCC1)C2	ZINC000096045466	218532404	/nfs/dbraw/zinc/53/24/04/218532404.db2.gz	MHLXVUTWQPGCHG-CYBMUJFWSA-N	1	0	336.440	0.508	40	0		ECABRO
COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@@H](C)[NH3+])C1)O2	ZINC000012122820	286386388	/nfs/dbraw/zinc/38/63/88/286386388.db2.gz	ZLPRBAUHNDQSCV-PIGZYNQJSA-N	1	0	333.388	0.526	40	0		ECABRO
CC1(C)O[C@@H]2CO[C@H](C[NH2+]C[C@@H]3OC[C@@H]4OC(C)(C)O[C@@H]34)[C@H]2O1	ZINC000004963564	276157013	/nfs/dbraw/zinc/15/70/13/276157013.db2.gz	JWWJZLQBXPIMDY-LRRLDJKKSA-N	1	0	329.393	0.414	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)CCOc3ccccc3)C2)CC1	ZINC000257312047	277108112	/nfs/dbraw/zinc/10/81/12/277108112.db2.gz	UMFZIHDNPUBZQK-IBGZPJMESA-N	1	0	347.459	0.666	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)C2CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257260719	277253154	/nfs/dbraw/zinc/25/31/54/277253154.db2.gz	LEAMSFLFTYHWFF-OAHLLOKOSA-N	1	0	337.464	0.862	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCOCC2)[C@@H]1O)c1ccc(F)cc1	ZINC000077264384	436228343	/nfs/dbraw/zinc/22/83/43/436228343.db2.gz	FRUWIPAWBVFJAI-OAGGEKHMSA-N	1	0	338.379	0.452	40	0	biogenic,in-vitro	ECABRO
CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1scnc1C)C2	ZINC000096108381	436513932	/nfs/dbraw/zinc/51/39/32/436513932.db2.gz	NALCVCZQIZCVFM-OCCSQVGLSA-N	1	0	345.490	0.839	40	0		ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2)c1ccno1	ZINC000096108476	436514271	/nfs/dbraw/zinc/51/42/71/436514271.db2.gz	TWIFGNZEEUEWEP-PBHICJAKSA-N	1	0	328.372	0.948	40	0		ECABRO
O=C(c1ccncn1)N1C[C@H](OCC[NH+]2CCCC2)[C@H]2OCCC[C@H]21	ZINC000096040936	436504575	/nfs/dbraw/zinc/50/45/75/436504575.db2.gz	KRUDRRSDZWCAKA-IKGGRYGDSA-N	1	0	346.431	0.961	40	0		ECABRO
C[NH+](C)CC(=O)NC[C@@H]1OCCc2cn(Cc3ccccn3)nc21	ZINC000096044463	436505419	/nfs/dbraw/zinc/50/54/19/436505419.db2.gz	IICGHWQMOAMANV-HNNXBMFYSA-N	1	0	329.404	0.618	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccco1)C2	ZINC000096045444	436506726	/nfs/dbraw/zinc/50/67/26/436506726.db2.gz	CIUIIQANERHAQA-GFCCVEGCSA-N	1	0	333.392	0.726	40	0		ECABRO
C[NH+](C)CCO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)Cc1ccccn1	ZINC000096065756	436507843	/nfs/dbraw/zinc/50/78/43/436507843.db2.gz	OMQXMDCEPOZZMN-LZLYRXPVSA-N	1	0	333.432	0.961	40	0		ECABRO
Cc1cc(C(=O)N[C@@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)no1	ZINC000096067607	436509900	/nfs/dbraw/zinc/50/99/00/436509900.db2.gz	WSXXZAYECBLBFY-CQSZACIVSA-N	1	0	344.415	0.994	40	0		ECABRO
COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1	ZINC000096076297	436511081	/nfs/dbraw/zinc/51/10/81/436511081.db2.gz	KMWXUUWUNNSTOG-KRWDZBQOSA-N	1	0	336.436	0.621	40	0		ECABRO
CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3cccnc3)CC[C@@H]21	ZINC000096249463	436528519	/nfs/dbraw/zinc/52/85/19/436528519.db2.gz	IFXZPSOLIOEHGS-GJZGRUSLSA-N	1	0	325.434	0.706	40	0		ECABRO
CC(C)(C)C[NH2+][C@@H]1CO[C@H](CNS(=O)(=O)c2ccccc2)[C@H]1O	ZINC000096296120	436530932	/nfs/dbraw/zinc/53/09/32/436530932.db2.gz	SSFWJYDUWMZFCL-KFWWJZLASA-N	1	0	342.461	0.729	40	0	biogenic,in-vitro	ECABRO
C[NH+]1CCC(NC(=O)[C@@]23CCO[C@@H]2CCN(c2ncccn2)C3)CC1	ZINC000097953357	436545799	/nfs/dbraw/zinc/54/57/99/436545799.db2.gz	OOVSDJJLASSZSH-CRAIPNDOSA-N	1	0	345.447	0.672	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000107738874	436614847	/nfs/dbraw/zinc/61/48/47/436614847.db2.gz	GMHKFDBQJVURRU-LSDHHAIUSA-N	1	0	332.466	0.539	40	0		ECABRO
CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccnc3)CC[C@H]21	ZINC000247510506	436795035	/nfs/dbraw/zinc/79/50/35/436795035.db2.gz	IFXZPSOLIOEHGS-HUUCEWRRSA-N	1	0	325.434	0.706	40	0		ECABRO
COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(S(=O)(=O)N(C)C)CC2	ZINC000247952927	436797716	/nfs/dbraw/zinc/79/77/16/436797716.db2.gz	MRVYTBJDTHXFNK-AWEZNQCLSA-N	1	0	349.497	0.100	40	0		ECABRO
CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@H+](CCO)CC2	ZINC000257310370	436867537	/nfs/dbraw/zinc/86/75/37/436867537.db2.gz	UEVAECJGBRNEFM-GUDVDZBRSA-N	1	0	345.443	0.779	40	0		ECABRO
CN(C[C@@]1(O)CCN(c2ncccn2)C1)C(=O)C[N@H+](C)C1CCCC1	ZINC000257308577	436868677	/nfs/dbraw/zinc/86/86/77/436868677.db2.gz	TXGTYKBWXQMCJB-SFHVURJKSA-N	1	0	347.463	0.751	40	0		ECABRO
CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1O	ZINC000257314742	436871049	/nfs/dbraw/zinc/87/10/49/436871049.db2.gz	UYGDDLLXACHQDO-IAGOWNOFSA-N	1	0	333.432	0.902	40	0		ECABRO
CN([C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1	ZINC000257332689	436872845	/nfs/dbraw/zinc/87/28/45/436872845.db2.gz	XYGZPDZUMZBJEE-YRGRVCCFSA-N	1	0	328.438	0.028	40	0		ECABRO
Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@H]1NCCO[C@@H]1C	ZINC000262268215	302724145	/nfs/dbraw/zinc/72/41/45/302724145.db2.gz	MSTGHERRRAQNAV-IPYPFGDCSA-N	1	0	338.477	0.767	40	0		ECABRO
CN([C@H](C(=O)NC1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O	ZINC000260846757	436877643	/nfs/dbraw/zinc/87/76/43/436877643.db2.gz	YVUWVJOAGIMDOV-HNNXBMFYSA-N	1	0	339.461	0.830	40	0		ECABRO
CC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514288899	438813772	/nfs/dbraw/zinc/81/37/72/438813772.db2.gz	GTQJAMCRPWMLGA-DLBZAZTESA-N	1	0	343.427	0.107	40	0	biogenic,in-vitro	ECABRO
COCC[N@@H+]1CCC[C@@]2(CCC(=O)N2CCS(C)(=O)=O)CC1	ZINC000585100525	439630175	/nfs/dbraw/zinc/63/01/75/439630175.db2.gz	MDYOYYVAQIREAV-OAHLLOKOSA-N	1	0	332.466	0.525	40	0		ECABRO
CNC(=O)[C@@H]1C[C@H]2CN(C(=O)c3ccnc(F)c3)C[C@H]2[N@@H+]1C(C)C	ZINC000585107711	439630194	/nfs/dbraw/zinc/63/01/94/439630194.db2.gz	OHFZSAIRXCSEQE-MELADBBJSA-N	1	0	334.395	0.890	40	0		ECABRO
C[NH+](C)CC(=O)N1CCOC[C@@](O)(COc2ccc(F)cc2)C1	ZINC000585269299	439636303	/nfs/dbraw/zinc/63/63/03/439636303.db2.gz	OLFUGJLGTGJESJ-MRXNPFEDSA-N	1	0	326.368	0.356	40	0		ECABRO
CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585289061	439642117	/nfs/dbraw/zinc/64/21/17/439642117.db2.gz	DXHLHPZGWUABFS-XDIASTCQSA-N	1	0	325.453	0.177	40	0		ECABRO
C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)c3cnc(C)nc3)C[C@@H]2C[C@@]1(C)O	ZINC000257319972	536378453	/nfs/dbraw/zinc/37/84/53/536378453.db2.gz	VUURWDRXOPGGEN-DPAVQSFQSA-N	1	0	334.420	0.375	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@H]2CCCO2)C1	ZINC000096188997	282109167	/nfs/dbraw/zinc/10/91/67/282109167.db2.gz	GOZRJUXIOPGJGV-GDBMZVCRSA-N	1	0	336.436	0.599	40	0		ECABRO
CCN1CCN(C2=[NH+][C@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1	ZINC000054121089	214216241	/nfs/dbraw/zinc/21/62/41/214216241.db2.gz	FQBNKBBVURYZHV-HUUCEWRRSA-N	1	0	344.415	0.640	40	0		ECABRO
COC[C@H]1CN(C(=O)CNC(C)=O)CC[N@H+](CCc2ccccc2)C1	ZINC000072354514	216164527	/nfs/dbraw/zinc/16/45/27/216164527.db2.gz	JZRNWDDLNLLEQL-GOSISDBHSA-N	1	0	347.459	0.772	40	0		ECABRO
CCS(=O)(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC000253494063	244003171	/nfs/dbraw/zinc/00/31/71/244003171.db2.gz	WHKCDYYDWIYUNT-LSDHHAIUSA-N	1	0	325.434	0.706	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)c2ncccn2)CC[C@@H]1O	ZINC000257207004	244135393	/nfs/dbraw/zinc/13/53/93/244135393.db2.gz	BFWFLQWXVBAEIM-GJZGRUSLSA-N	1	0	334.420	0.553	40	0		ECABRO
Cc1cnn(CC(=O)N2C[C@@H](O)[C@H]([N@@H+]3CCc4ccccc4C3)C2)c1	ZINC000257227220	244204452	/nfs/dbraw/zinc/20/44/52/244204452.db2.gz	FOEGWZKPNNULHQ-QZTJIDSGSA-N	1	0	340.427	0.822	40	0		ECABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccc(C)cc2)C1	ZINC000257231710	244215341	/nfs/dbraw/zinc/21/53/41/244215341.db2.gz	GHXIAXYMPBVVQM-OAHLLOKOSA-N	1	0	339.461	0.434	40	0		ECABRO
Cn1cnc(S(=O)(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1	ZINC000257242862	244249095	/nfs/dbraw/zinc/24/90/95/244249095.db2.gz	IENCJWKBZHJUAS-UMVBOHGHSA-N	1	0	342.465	0.466	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)c3cnccn3)CC2)OC[C@]1(C)O	ZINC000257239943	244242819	/nfs/dbraw/zinc/24/28/19/244242819.db2.gz	HRLUDWGIWSSULU-HOCLYGCPSA-N	1	0	334.420	0.553	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2ccnc(N3CCCC3)n2)CC[N@H+](C)C1	ZINC000257264072	244356636	/nfs/dbraw/zinc/35/66/36/244356636.db2.gz	LSUHMDPIZUUKAU-OAHLLOKOSA-N	1	0	346.479	0.529	40	0		ECABRO
CC1(C)OC(=O)C[C@H]1C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1	ZINC000019460489	212029536	/nfs/dbraw/zinc/02/95/36/212029536.db2.gz	RVFFRHRDUAWNFT-AAEUAGOBSA-N	1	0	344.415	0.780	40	0		ECABRO
CCCn1cc(C[N@@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)cn1	ZINC000257334519	276058873	/nfs/dbraw/zinc/05/88/73/276058873.db2.gz	YGHBIWMTXBMBDQ-RHSMWYFYSA-N	1	0	347.419	0.753	40	0		ECABRO
CCn1c2ncc3c(c2c(=O)n(CC[NH3+])c1=O)CC(C)(C)CC3=O	ZINC000022610641	276712638	/nfs/dbraw/zinc/71/26/38/276712638.db2.gz	JFLDFTCOTIGTIT-UHFFFAOYSA-N	1	0	330.388	0.692	40	0		ECABRO
NC(=[NH2+])NCCCCCCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000001567956	435958888	/nfs/dbraw/zinc/95/88/88/435958888.db2.gz	KYPQAOCHQMFQPR-UHFFFAOYSA-N	1	0	341.437	0.706	40	0		ECABRO
COc1ccc(C)cc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000010111566	436036552	/nfs/dbraw/zinc/03/65/52/436036552.db2.gz	YCWZTDFGCSSOOX-UHFFFAOYSA-N	1	0	343.449	0.447	40	0		ECABRO
CCn1ccc(C(=O)N2CC[C@H](C(=O)NCC[NH+]3CCCCC3)C2)n1	ZINC000019745451	436107289	/nfs/dbraw/zinc/10/72/89/436107289.db2.gz	ODDJMTWYSCLAKP-HNNXBMFYSA-N	1	0	347.463	0.967	40	0		ECABRO
CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)CC(C)(C)C)[C@H]2O)CC1	ZINC000077265321	436231872	/nfs/dbraw/zinc/23/18/72/436231872.db2.gz	XVDRITLRVTYMRY-FMKPAKJESA-N	1	0	327.469	0.351	40	0	biogenic,in-vitro	ECABRO
Cn1cccc1C(=O)NCc1cnc2n1CC[N@H+]([C@@H]1CCOC1)CC2	ZINC000096197072	436521514	/nfs/dbraw/zinc/52/15/14/436521514.db2.gz	XPYHYMTYVISUIY-CQSZACIVSA-N	1	0	343.431	0.799	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1	ZINC000096077242	436510967	/nfs/dbraw/zinc/51/09/67/436510967.db2.gz	GYPNLGDPSGCFHR-SFHVURJKSA-N	1	0	340.431	0.738	40	0		ECABRO
C[C@@H]1N(CC[NH+](C)C)C(=O)COC12CCN(C(=O)c1ccc[nH]1)CC2	ZINC000096201537	436523890	/nfs/dbraw/zinc/52/38/90/436523890.db2.gz	ZCPDXXTXIYKNNV-AWEZNQCLSA-N	1	0	348.447	0.798	40	0		ECABRO
CN1CCN(CC[NH+](C)C)C(=O)C12CCN(c1cnccn1)CC2	ZINC000096230062	436527203	/nfs/dbraw/zinc/52/72/03/436527203.db2.gz	CTIDTCCEBGPQOR-UHFFFAOYSA-N	1	0	332.452	0.151	40	0		ECABRO
Cn1cncc1CN1CC[C@@H]2OCCN(C(=O)c3cnccn3)[C@H]2C1	ZINC000108530457	436618717	/nfs/dbraw/zinc/61/87/17/436618717.db2.gz	PYHYNZNCVBQRTN-HOTGVXAUSA-N	1	0	342.403	0.326	40	0		ECABRO
CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCC3)C2)C1=O	ZINC000225384464	436710183	/nfs/dbraw/zinc/71/01/83/436710183.db2.gz	WZZNKVZQNVRZSL-CABCVRRESA-N	1	0	335.448	0.588	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@@H](C(N)=O)C1	ZINC000257289934	436863178	/nfs/dbraw/zinc/86/31/78/436863178.db2.gz	QAVTZSGYRMHZPG-AWEZNQCLSA-N	1	0	331.420	0.171	40	0		ECABRO
COc1ccc([C@@H]2COc3c(CN4CC[NH2+]CC4)nnn3C2)cc1	ZINC000263616832	436971661	/nfs/dbraw/zinc/97/16/61/436971661.db2.gz	KTPKQGWBMWKMAB-AWEZNQCLSA-N	1	0	329.404	0.868	40	0		ECABRO
C[C@@H]1C[N@H+](Cc2ccncc2)C[C@]12CCN(CC(=O)N(C)C)C2=O	ZINC000306129925	437164914	/nfs/dbraw/zinc/16/49/14/437164914.db2.gz	IQZPSYXRSBABBF-RDTXWAMCSA-N	1	0	330.432	0.840	40	0		ECABRO
O=S(=O)(N1C[C@H]2OC[C@H](C[NH+]3CCCC3)[C@H]2C1)C(F)(F)F	ZINC000575405920	438747527	/nfs/dbraw/zinc/74/75/27/438747527.db2.gz	VOPPCUPLVPNASW-HBNTYKKESA-N	1	0	328.356	0.879	40	0		ECABRO
CCCNC(=O)N[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O	ZINC000514288793	438813974	/nfs/dbraw/zinc/81/39/74/438813974.db2.gz	DBOSJRZVTMIPPT-YESZJQIVSA-N	1	0	335.448	0.998	40	0	biogenic,in-vitro	ECABRO
CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@](C)(C(N)=O)C2)CC1	ZINC000585285111	439639831	/nfs/dbraw/zinc/63/98/31/439639831.db2.gz	WBNXBJGJYIUDQV-OAHLLOKOSA-N	1	0	327.425	0.557	40	0		ECABRO
O=C(Cc1ccc(Cl)cc1)N1C[C@@H](O)[C@](O)(C[NH2+]CC2CC2)C1	ZINC000585292189	439641714	/nfs/dbraw/zinc/64/17/14/439641714.db2.gz	YDXRKKUDYGXICV-WBVHZDCISA-N	1	0	338.835	0.816	40	0		ECABRO
COc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H](O)[C@H]2CO)cn1	ZINC000585292326	439641934	/nfs/dbraw/zinc/64/19/34/439641934.db2.gz	HFNKCLYUPGDKDB-BZUAXINKSA-N	1	0	333.363	0.946	40	0		ECABRO
C[C@@H]([NH3+])C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000012144252	524986917	/nfs/dbraw/zinc/98/69/17/524986917.db2.gz	WCXOOIKAGWRFDY-CYBMUJFWSA-N	1	0	343.431	0.881	40	0		ECABRO
NC(=O)CC[NH+]1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O	ZINC000257263873	283285445	/nfs/dbraw/zinc/28/54/45/283285445.db2.gz	LRUVPDZTKKIUHJ-ZBFHGGJFSA-N	1	0	331.416	0.566	40	0		ECABRO
Cc1nc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](C(CO)CO)C2)n1	ZINC000072363681	216170053	/nfs/dbraw/zinc/17/00/53/216170053.db2.gz	NHGMTZNRXGURNY-ZDUSSCGKSA-N	1	0	344.419	0.851	40	0		ECABRO
CNc1nc([C@@H]2CCCN2S(=O)(=O)N(C)C)nc2c1C[NH2+]CC2	ZINC000072372208	216177958	/nfs/dbraw/zinc/17/79/58/216177958.db2.gz	MASLVDNCAUZEED-LBPRGKRZSA-N	1	0	340.453	0.107	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)CCCn3ccnc3)CC[C@@H]2O)CC1	ZINC000257201703	244120147	/nfs/dbraw/zinc/12/01/47/244120147.db2.gz	AIQVCDYUMSORMT-IRXDYDNUSA-N	1	0	349.479	0.263	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCCn2nc(C)cc2C)CC[N@H+](C)C1	ZINC000257252684	244272053	/nfs/dbraw/zinc/27/20/53/244272053.db2.gz	JVSGAKJENMTYAE-OAHLLOKOSA-N	1	0	335.452	0.416	40	0		ECABRO
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+]2CCCC2)C1	ZINC000020049718	212098227	/nfs/dbraw/zinc/09/82/27/212098227.db2.gz	HWJAHVHOYCXQQS-CQSZACIVSA-N	1	0	346.497	0.107	40	0		ECABRO
CN1C[C@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O	ZINC000019587349	212048948	/nfs/dbraw/zinc/04/89/48/212048948.db2.gz	FPBGWTZXIZVNLO-QWHCGFSZSA-N	1	0	343.431	0.307	40	0		ECABRO
CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccccc2OC)[C@@H]1O	ZINC000012483640	211392458	/nfs/dbraw/zinc/39/24/58/211392458.db2.gz	KCTBWWZPDORMQG-HSFUPAIVSA-N	1	0	336.432	0.980	40	0	biogenic,in-vitro	ECABRO
Cn1ccnc1C[N@@H+]1C[C@@H](C(=O)N2CCOCC2)C2(C1)CCOCC2	ZINC000096160160	218635081	/nfs/dbraw/zinc/63/50/81/218635081.db2.gz	DVVAIVGYJDHOHU-HNNXBMFYSA-N	1	0	348.447	0.508	40	0		ECABRO
O=C(c1ccnnc1)N1CCOC[C@@]2(CC[C@@H](C[NH+]3CCCC3)O2)C1	ZINC000096160284	218635500	/nfs/dbraw/zinc/63/55/00/218635500.db2.gz	QTKKXSGBEKJXKG-FUHWJXTLSA-N	1	0	346.431	0.963	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000122839850	222170785	/nfs/dbraw/zinc/17/07/85/222170785.db2.gz	MMRFCYWZDKJKNM-AWEZNQCLSA-N	1	0	339.461	0.765	40	0		ECABRO
O=C(c1cnccn1)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCCC1	ZINC000096186299	280232231	/nfs/dbraw/zinc/23/22/31/280232231.db2.gz	GGVFLTKAUJRQBZ-HOTGVXAUSA-N	1	0	343.431	0.778	40	0		ECABRO
Cc1ccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c(C)c1	ZINC000010111554	436038534	/nfs/dbraw/zinc/03/85/34/436038534.db2.gz	YAPUQNIFNWNMHE-UHFFFAOYSA-N	1	0	327.450	0.747	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)c1cccs1	ZINC000077264239	436229313	/nfs/dbraw/zinc/22/93/13/436229313.db2.gz	AMMYWHUULNJIRS-NFAWXSAZSA-N	1	0	333.413	0.791	40	0	biogenic,in-vitro	ECABRO
O=S1(=O)CC[C@@H](OCCCCC[NH2+][C@H]2CCS(=O)(=O)C2)C1	ZINC000040177508	436263111	/nfs/dbraw/zinc/26/31/11/436263111.db2.gz	DWSCIUVDGYPMSM-QWHCGFSZSA-N	1	0	339.479	0.137	40	0		ECABRO
COCCNC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC2)CN(C)C(=O)C1	ZINC000096113443	436513667	/nfs/dbraw/zinc/51/36/67/436513667.db2.gz	HLRKOCABFMOVFS-HUUCEWRRSA-N	1	0	325.453	0.766	40	0	biogenic,in-vitro	ECABRO
Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+]([C@@H]1CCOC1)CC2	ZINC000096197086	436521674	/nfs/dbraw/zinc/52/16/74/436521674.db2.gz	UWGJDFFXFHWKLD-CYBMUJFWSA-N	1	0	344.419	0.194	40	0		ECABRO
Cn1nnc2c1CCN(C(=O)C1CC1)[C@H]2COCC[NH+]1CCCC1	ZINC000096045310	436507017	/nfs/dbraw/zinc/50/70/17/436507017.db2.gz	PTRLJFHGMHOIDQ-HNNXBMFYSA-N	1	0	333.436	0.763	40	0		ECABRO
CN(C)C(=O)CN1CCC2(CC[NH+](Cc3ccccn3)CC2)C1=O	ZINC000096046851	436507133	/nfs/dbraw/zinc/50/71/33/436507133.db2.gz	QSKKTIILGXWNSE-UHFFFAOYSA-N	1	0	330.432	0.984	40	0		ECABRO
CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096047821	436507299	/nfs/dbraw/zinc/50/72/99/436507299.db2.gz	WBNBOPDUODZNNV-OAHLLOKOSA-N	1	0	336.436	0.648	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@H](C(=O)N3CCOCC3)C2)cn1	ZINC000096064896	436508663	/nfs/dbraw/zinc/50/86/63/436508663.db2.gz	AULXAHCGXKOWCN-ARFHVFGLSA-N	1	0	334.420	0.116	40	0		ECABRO
C[NH+](C)CCN1CCO[C@@H]2CCN(C(=O)c3ccncc3)CC[C@@H]21	ZINC000096082191	436509731	/nfs/dbraw/zinc/50/97/31/436509731.db2.gz	ZSOCNNLVGHORTI-DLBZAZTESA-N	1	0	332.448	0.949	40	0		ECABRO
O=S(=O)(NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2)C1CC1	ZINC000096208895	436523398	/nfs/dbraw/zinc/52/33/98/436523398.db2.gz	QLMJIJPPBWIPKI-ZBFHGGJFSA-N	1	0	337.445	0.612	40	0		ECABRO
CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000096224176	436525449	/nfs/dbraw/zinc/52/54/49/436525449.db2.gz	AAUURRPQNIOPFA-SFHVURJKSA-N	1	0	330.432	0.984	40	0		ECABRO
CN(C)C(=O)NCc1nnn2c1C[N@H+](CC1CCOCC1)CCC2	ZINC000096259509	436529348	/nfs/dbraw/zinc/52/93/48/436529348.db2.gz	KURLKCCXELCCEW-UHFFFAOYSA-N	1	0	336.440	0.682	40	0		ECABRO
[NH3+][C@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)C1	ZINC000096530688	436533667	/nfs/dbraw/zinc/53/36/67/436533667.db2.gz	FIOLBRKZVHZYTE-LBPRGKRZSA-N	1	0	328.351	0.616	40	0		ECABRO
Cn1c2ccc(S(=O)(=O)NC3CC[NH+](C)CC3)cc2sc1=O	ZINC000225683879	436712617	/nfs/dbraw/zinc/71/26/17/436712617.db2.gz	OZQPGJRYZAXBEG-UHFFFAOYSA-N	1	0	341.458	0.973	40	0		ECABRO
COC[C@H]1CN(S(C)(=O)=O)CC12CC[NH+](C1CCOCC1)CC2	ZINC000247834811	436796643	/nfs/dbraw/zinc/79/66/43/436796643.db2.gz	IULBTURWGISPLX-CQSZACIVSA-N	1	0	346.493	0.785	40	0		ECABRO
Cn1nccc1C(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257284317	436861373	/nfs/dbraw/zinc/86/13/73/436861373.db2.gz	PCFIOYABUDYODX-AWEZNQCLSA-N	1	0	328.363	0.728	40	0		ECABRO
O=C(CC1(O)CCCCC1)N1CC[C@](O)(CN2CCOCC2)C1	ZINC000257287740	436861480	/nfs/dbraw/zinc/86/14/80/436861480.db2.gz	PRHUSCNAVYLVCR-KRWDZBQOSA-N	1	0	326.437	0.367	40	0		ECABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCO[C@@H](CCc3ccncn3)C2)CC1	ZINC000257318436	436870462	/nfs/dbraw/zinc/87/04/62/436870462.db2.gz	VNWYJJWYSDWQRZ-KRWDZBQOSA-N	1	0	348.447	0.483	40	0		ECABRO
O=C(C[N@@H+]1CCC[C@H](c2ccc3c[nH]nc3n2)C1)N1CCOCC1	ZINC000257327760	436871971	/nfs/dbraw/zinc/87/19/71/436871971.db2.gz	XCPAKVBYNCNPJZ-AWEZNQCLSA-N	1	0	329.404	0.996	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2	ZINC000306133917	437168558	/nfs/dbraw/zinc/16/85/58/437168558.db2.gz	MZDYBZHJDJCCFF-KGLIPLIRSA-N	1	0	338.415	0.870	40	0		ECABRO
CC(C)[C@H](CO)Nc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1	ZINC000329040199	437308154	/nfs/dbraw/zinc/30/81/54/437308154.db2.gz	SBFKFDSFQFROJD-INIZCTEOSA-N	1	0	349.479	1.527	40	0		ECABRO
CCN(C)S(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO	ZINC000180376071	437287339	/nfs/dbraw/zinc/28/73/39/437287339.db2.gz	AUQSFEJTHHOJOZ-MRXNPFEDSA-N	1	0	341.477	0.929	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000328960023	437292805	/nfs/dbraw/zinc/29/28/05/437292805.db2.gz	AWIHGWAAROVKKL-HNNXBMFYSA-N	1	0	342.447	0.947	40	0		ECABRO
COC(=O)c1ccc(CS(=O)(=O)NC2CC[NH+](C)CC2)cc1	ZINC000192897552	437694269	/nfs/dbraw/zinc/69/42/69/437694269.db2.gz	UHTJFTQMDGIIGL-UHFFFAOYSA-N	1	0	326.418	0.987	40	0		ECABRO
Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575425573	438749619	/nfs/dbraw/zinc/74/96/19/438749619.db2.gz	STJSZESXFZJGFQ-ZDUSSCGKSA-N	1	0	346.474	0.358	40	0		ECABRO
O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(CN(C4CCC4)C3)[N@@H+]2C1	ZINC000514289837	438813824	/nfs/dbraw/zinc/81/38/24/438813824.db2.gz	PBTSIJJSBRGSOP-ZWKOTPCHSA-N	1	0	328.460	0.939	40	0	biogenic,in-vitro	ECABRO
O=C(C1CC(F)C1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000585107719	439629702	/nfs/dbraw/zinc/62/97/02/439629702.db2.gz	SRMMKTWDFWXJEM-FJBKBRRZSA-N	1	0	325.428	0.742	40	0		ECABRO
CNc1ncc(C[N@H+]2C[C@H](OC)[C@@H](CC(=O)N3CCCC3)C2)cn1	ZINC000585278304	439638933	/nfs/dbraw/zinc/63/89/33/439638933.db2.gz	RPWOTGJAXLWDHE-GJZGRUSLSA-N	1	0	333.436	0.978	40	0		ECABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCCCC2)C1	ZINC000585290619	439641340	/nfs/dbraw/zinc/64/13/40/439641340.db2.gz	REXZVLVUTREDKS-CVEARBPZSA-N	1	0	340.445	0.269	40	0		ECABRO
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]2O)c1	ZINC000585288571	439641426	/nfs/dbraw/zinc/64/14/26/439641426.db2.gz	DXRNSDKQZAQUOM-ARFHVFGLSA-N	1	0	342.461	0.795	40	0		ECABRO
C[N@@H+]1C[C@@H](COCc2cccnc2)CC12CN(C(=O)C1CC(O)C1)C2	ZINC000585093954	439628076	/nfs/dbraw/zinc/62/80/76/439628076.db2.gz	SIRLUGOSTMZEHA-GTPINHCMSA-N	1	0	345.443	0.902	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257261699	536397941	/nfs/dbraw/zinc/39/79/41/536397941.db2.gz	LILFGVATHBRKFH-CQSZACIVSA-N	1	0	346.431	0.381	40	0		ECABRO
COc1cc(COC[C@H](O)C[NH2+]C(C)(C)CO)cc(OC)c1OC	ZINC000026781246	212534464	/nfs/dbraw/zinc/53/44/64/212534464.db2.gz	RUFJYIBHKOLMCN-CYBMUJFWSA-N	1	0	343.420	0.950	40	0		ECABRO
CNC(=O)[C@@]1(CCCc2cccnc2)CCCN(C(=O)C[NH2+]C)C1	ZINC000257203413	244127177	/nfs/dbraw/zinc/12/71/77/244127177.db2.gz	APYDAERBAIYXJR-SFHVURJKSA-N	1	0	332.448	0.979	40	0		ECABRO
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCCC[NH+](C)C)cc1	ZINC000020245920	212114831	/nfs/dbraw/zinc/11/48/31/212114831.db2.gz	ATDWFBZHMLUFCS-UHFFFAOYSA-N	1	0	342.465	0.611	40	0		ECABRO
CC(=O)NC[C@]1(O)CC[N@H+](CC2=Cc3ccccc3OC2)C[C@H]1O	ZINC000257242458	244247486	/nfs/dbraw/zinc/24/74/86/244247486.db2.gz	ICPIPDLSJOPKEF-QZTJIDSGSA-N	1	0	332.400	0.396	40	0		ECABRO
COCCN1C(=O)CCC[C@H]2C[N@@H+](CC(=O)N3CCCC3)CC[C@H]21	ZINC000257274033	244386246	/nfs/dbraw/zinc/38/62/46/244386246.db2.gz	NJGPSILZGVLTNN-JKSUJKDBSA-N	1	0	337.464	0.958	40	0		ECABRO
CCN(CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(OC)cc2)[C@@H]1O	ZINC000012483551	211392202	/nfs/dbraw/zinc/39/22/02/211392202.db2.gz	AWGVZAALCGUFAS-HSFUPAIVSA-N	1	0	336.432	0.980	40	0	biogenic,in-vitro	ECABRO
CCS(=O)(=O)N1CCOC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052040	218543689	/nfs/dbraw/zinc/54/36/89/218543689.db2.gz	GMHKFDBQJVURRU-HUUCEWRRSA-N	1	0	332.466	0.539	40	0		ECABRO
C[C@]12CN(C(=O)[C@@H]3CCC[NH2+]3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2	ZINC000012337902	300875371	/nfs/dbraw/zinc/87/53/71/300875371.db2.gz	XTLNUKRRXLQUDM-YEWDVWPNSA-N	1	0	342.399	0.338	40	0		ECABRO
CS(=O)(=O)NCc1cncc2c1CC[N@H+](C[C@@H]1CCOC1)C2	ZINC000096189485	436521712	/nfs/dbraw/zinc/52/17/12/436521712.db2.gz	XIKCVFZDXKEHPT-LBPRGKRZSA-N	1	0	325.434	0.525	40	0		ECABRO
CCS(=O)(=O)N1CCc2c(COCC[NH+](C)C)cncc2C1	ZINC000096189354	436521819	/nfs/dbraw/zinc/52/18/19/436521819.db2.gz	RZWQPAZTXIBTGE-UHFFFAOYSA-N	1	0	327.450	0.868	40	0		ECABRO
O=C(c1cnccn1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC000096038546	436505276	/nfs/dbraw/zinc/50/52/76/436505276.db2.gz	NKUILPCSUXAGOF-JKSUJKDBSA-N	1	0	339.399	0.987	40	0		ECABRO
O=C(c1cccnc1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096054386	436506882	/nfs/dbraw/zinc/50/68/82/436506882.db2.gz	AXJCXTVZMSLPEB-SJORKVTESA-N	1	0	330.432	0.703	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1nccs1)C2	ZINC000096060663	436508689	/nfs/dbraw/zinc/50/86/89/436508689.db2.gz	QZUKNBLSNOCMCS-LBPRGKRZSA-N	1	0	336.465	0.949	40	0		ECABRO
CNC(=O)CO[C@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)nc1)C2	ZINC000096073544	436510532	/nfs/dbraw/zinc/51/05/32/436510532.db2.gz	XZXYQUJZTXLBPR-CRAIPNDOSA-N	1	0	349.431	0.976	40	0		ECABRO
CN1C[C@H]([NH+](C)C)CCC[C@@H](C(=O)NC2CCOCC2)CC1=O	ZINC000096113494	436513440	/nfs/dbraw/zinc/51/34/40/436513440.db2.gz	YXPZBWRQNITUBM-UKRRQHHQSA-N	1	0	325.453	0.860	40	0	biogenic,in-vitro	ECABRO
Cn1cc(CN2CCO[C@@H]3C[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)cn1	ZINC000096108100	436513503	/nfs/dbraw/zinc/51/35/03/436513503.db2.gz	NDZGRIRHCCPZPR-DLBZAZTESA-N	1	0	330.436	0.486	40	0		ECABRO
CC[N@@H+]1CC2(CCN(S(=O)(=O)C3CC3)CC2)[C@@]2(CCNC2=O)C1	ZINC000096243920	436526504	/nfs/dbraw/zinc/52/65/04/436526504.db2.gz	GQINTFRMYWECBH-INIZCTEOSA-N	1	0	341.477	0.403	40	0		ECABRO
CN(C)C(=O)N1CCC2(C[N@H+](CC3CC3)C[C@]23CCNC3=O)CC1	ZINC000096243910	436527034	/nfs/dbraw/zinc/52/70/34/436527034.db2.gz	FARYFSKKWXVAKV-SFHVURJKSA-N	1	0	334.464	0.982	40	0		ECABRO
O=C(c1ccncc1)N1CCC2(CC1)C(=O)NCC[N@H+]2CC1CC1	ZINC000096230196	436527211	/nfs/dbraw/zinc/52/72/11/436527211.db2.gz	UHLQTFYOVGGQKI-UHFFFAOYSA-N	1	0	328.416	0.898	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)CC[N@H+](C)C1	ZINC000257283436	436862511	/nfs/dbraw/zinc/86/25/11/436862511.db2.gz	OYIMOSLRWLPEMG-CQSZACIVSA-N	1	0	342.403	0.017	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccsc2)C[C@H]1O)c1cnc[nH]1	ZINC000257302313	436866349	/nfs/dbraw/zinc/86/63/49/436866349.db2.gz	SCLTUZSROHFQCE-UKRRQHHQSA-N	1	0	336.417	0.199	40	0		ECABRO
COc1cccc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)c1	ZINC000257299009	436866619	/nfs/dbraw/zinc/86/66/19/436866619.db2.gz	ROICIUNRDPDTTR-HUUCEWRRSA-N	1	0	326.418	0.525	40	0		ECABRO
COc1cccc(C(=O)N2CC[C@H](O)[C@@H]([NH+]3CCN(C)CC3)CC2)c1	ZINC000257318281	436870908	/nfs/dbraw/zinc/87/09/08/436870908.db2.gz	VNFVJOKVGMTMNI-ROUUACIJSA-N	1	0	347.459	0.908	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@@](CCCc2cnccn2)(C(=O)N(C)C)C1	ZINC000257322676	436871326	/nfs/dbraw/zinc/87/13/26/436871326.db2.gz	WGYLKNUOYWFVSV-GOSISDBHSA-N	1	0	347.463	0.716	40	0		ECABRO
C[NH+](C)CCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CCCC1	ZINC000408708718	438583227	/nfs/dbraw/zinc/58/32/27/438583227.db2.gz	LKDVMMYNEMGVLW-UHFFFAOYSA-N	1	0	346.431	0.975	40	0		ECABRO
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1	ZINC000514290310	438811677	/nfs/dbraw/zinc/81/16/77/438811677.db2.gz	XANNTKRVKKPKCX-HZPDHXFCSA-N	1	0	329.400	0.179	40	0	biogenic,in-vitro	ECABRO
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1	ZINC000514288483	438813387	/nfs/dbraw/zinc/81/33/87/438813387.db2.gz	BHYJNFNYAKZOIH-DLBZAZTESA-N	1	0	343.427	0.107	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)C1CC(F)C1)CCC2	ZINC000585110542	439630864	/nfs/dbraw/zinc/63/08/64/439630864.db2.gz	REFHUUOJLAWJTQ-UHFFFAOYSA-N	1	0	339.415	0.837	40	0		ECABRO
COc1cc(C[NH2+]C[C@@H]2COC[C@@H](O)[C@H]2O)cc2c1OCCCO2	ZINC000585287364	439639700	/nfs/dbraw/zinc/63/97/00/439639700.db2.gz	YRCVVGTYZKRCLJ-IOASZLSFSA-N	1	0	339.388	0.314	40	0		ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O	ZINC000218070423	535596341	/nfs/dbraw/zinc/59/63/41/535596341.db2.gz	PFDNRDUVVJRKFR-YDHLFZDLSA-N	1	0	327.402	0.714	40	0		ECABRO
CNc1nc([C@H]2CCN(C(=O)C[NH+](C)C)C2)nc2c1CCN(C)C2	ZINC000072376519	216178737	/nfs/dbraw/zinc/17/87/37/216178737.db2.gz	RNDDCLNWDUGNLZ-LBPRGKRZSA-N	1	0	332.452	0.384	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@H](C(N)=O)C1	ZINC000257202043	244121217	/nfs/dbraw/zinc/12/12/17/244121217.db2.gz	AKFNBCLZQMFDSQ-LLVKDONJSA-N	1	0	327.787	0.897	40	0		ECABRO
C[N@H+](Cc1ccc(F)cc1)[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O	ZINC000257270686	244377210	/nfs/dbraw/zinc/37/72/10/244377210.db2.gz	MVGBSFBBGWUIBR-HZPDHXFCSA-N	1	0	330.363	0.933	40	0		ECABRO
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000012199428	211319197	/nfs/dbraw/zinc/31/91/97/211319197.db2.gz	XXDVFYYDWGODIP-UHFFFAOYSA-N	1	0	339.417	0.570	40	0		ECABRO
CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cnn(C)c3)C[C@H]1C2	ZINC000306136087	257922779	/nfs/dbraw/zinc/92/27/79/257922779.db2.gz	PISBSNXNUBZQMM-KGLIPLIRSA-N	1	0	343.435	0.454	40	0		ECABRO
CCOCC(=O)N1CCC[C@]2(C[C@@H](C[NH+]3CCOCC3)CO2)C1	ZINC000096228426	286022389	/nfs/dbraw/zinc/02/23/89/286022389.db2.gz	IMBHBEWGFBLDQF-RDJZCZTQSA-N	1	0	326.437	0.753	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1	ZINC000096062340	280015175	/nfs/dbraw/zinc/01/51/75/280015175.db2.gz	JMNFSMRPPLEUBU-HNNXBMFYSA-N	1	0	332.466	0.539	40	0		ECABRO
COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@H](C)[NH3+])C1)O2	ZINC000012122826	295256488	/nfs/dbraw/zinc/25/64/88/295256488.db2.gz	ZLPRBAUHNDQSCV-GTNSWQLSSA-N	1	0	333.388	0.526	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC000096055054	436506275	/nfs/dbraw/zinc/50/62/75/436506275.db2.gz	HSJWUGOIRMKIKJ-LSDHHAIUSA-N	1	0	337.445	0.849	40	0		ECABRO
CN1CCN(C(=O)[C@@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccncc3)O2)CC1	ZINC000096057348	436507155	/nfs/dbraw/zinc/50/71/55/436507155.db2.gz	RWIQAMSIIZUCPV-KURKYZTESA-N	1	0	344.459	0.978	40	0		ECABRO
COCCNC(=O)[C@@H]1C[C@@H]2CCN(CC[NH+]3CCCC3)C[C@H]2O1	ZINC000096066184	436508609	/nfs/dbraw/zinc/50/86/09/436508609.db2.gz	VNWPVYXAYXMZKE-HRCADAONSA-N	1	0	325.453	0.324	40	0		ECABRO
Cn1ccnc1CNC(=O)[C@H]1C[C@H]2[C@H](CC[N@@H+]2Cc2cccnc2)O1	ZINC000096063820	436508743	/nfs/dbraw/zinc/50/87/43/436508743.db2.gz	ZOUWVDHCBQMFAF-HRCADAONSA-N	1	0	341.415	0.863	40	0		ECABRO
CS(=O)(=O)NC[C@H]1OC[C@@H]2C[N@H+](Cc3cccnc3)CC[C@@H]21	ZINC000096092166	436511428	/nfs/dbraw/zinc/51/14/28/436511428.db2.gz	QMOGRZUSNFOCAH-SOUVJXGZSA-N	1	0	325.434	0.468	40	0		ECABRO
C[NH+](C)CC(=O)N1CC[C@]2(C[C@@H](OCC3CCOCC3)CO2)C1	ZINC000096107743	436512216	/nfs/dbraw/zinc/51/22/16/436512216.db2.gz	BVYCMVGYQMQZSF-WBVHZDCISA-N	1	0	326.437	0.751	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](CNS(C)(=O)=O)O3)cn1	ZINC000096207152	436523723	/nfs/dbraw/zinc/52/37/23/436523723.db2.gz	WKKKJCVGRRTUTA-LSDHHAIUSA-N	1	0	342.465	0.483	40	0		ECABRO
CC(C)C[N@@H+]1CCN(C)C(=O)C12CCN(C(=O)c1ccnnc1)CC2	ZINC000096230267	436527146	/nfs/dbraw/zinc/52/71/46/436527146.db2.gz	HDWKLDFVUDGXDU-UHFFFAOYSA-N	1	0	345.447	0.881	40	0		ECABRO
COCCNC(=O)[C@H]1CN(Cc2nc(C)cs2)[C@@H]2CCO[C@@H]21	ZINC000108527721	436618521	/nfs/dbraw/zinc/61/85/21/436618521.db2.gz	HNIZSJSRWVDMAS-OUCADQQQSA-N	1	0	325.434	0.803	40	0		ECABRO
Cc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)s1	ZINC000257308385	436867923	/nfs/dbraw/zinc/86/79/23/436867923.db2.gz	TWNLSNUKIWCIMM-NSHDSACASA-N	1	0	331.463	0.235	40	0		ECABRO
Cc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cn1	ZINC000257306333	436868039	/nfs/dbraw/zinc/86/80/39/436868039.db2.gz	STWBGNNUJQOTPK-INIZCTEOSA-N	1	0	332.448	0.788	40	0		ECABRO
CCn1cc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(=O)NC)C2)cn1	ZINC000257313240	436870442	/nfs/dbraw/zinc/87/04/42/436870442.db2.gz	URNFQAANSSEVKS-MRXNPFEDSA-N	1	0	349.479	0.562	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCc2cc(Cl)no2)CC[N@H+](C)C1	ZINC000257326026	436873631	/nfs/dbraw/zinc/87/36/31/436873631.db2.gz	WVMBIUTVJLXDNQ-JTQLQIEISA-N	1	0	328.800	0.397	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccnn4C)[C@H]3C2)cn1	ZINC000306132849	437167231	/nfs/dbraw/zinc/16/72/31/437167231.db2.gz	LUEMBMYXWCRRJY-SQWLQELKSA-N	1	0	344.419	0.030	40	0		ECABRO
Cn1nccc1C(=O)NC[C@H]1CO[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]12	ZINC000306136846	437167826	/nfs/dbraw/zinc/16/78/26/437167826.db2.gz	QEXJTUJVALAGMO-JGGQBBKZSA-N	1	0	334.420	0.276	40	0		ECABRO
C[C@H](CO)Nc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000329064664	437311162	/nfs/dbraw/zinc/31/11/62/437311162.db2.gz	XKZPCPITECWTRZ-TZMCWYRMSA-N	1	0	329.404	0.766	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2cccnc2)n1	ZINC000328967545	437295456	/nfs/dbraw/zinc/29/54/56/437295456.db2.gz	CUXKOGCXRCSULY-HNNXBMFYSA-N	1	0	342.447	0.947	40	0		ECABRO
C[NH+]1CCN(CCNc2cc(C(F)(F)F)nc(NC3CC3)n2)CC1	ZINC000328972612	437296830	/nfs/dbraw/zinc/29/68/30/437296830.db2.gz	DVUWXICNNXNKOM-UHFFFAOYSA-N	1	0	344.385	0.573	40	0		ECABRO
CCc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575420139	438748465	/nfs/dbraw/zinc/74/84/65/438748465.db2.gz	GGXPJMNAUMKENB-ZDUSSCGKSA-N	1	0	346.474	0.386	40	0		ECABRO
O=C(c1ccnc(F)c1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000585107720	439629797	/nfs/dbraw/zinc/62/97/97/439629797.db2.gz	XGRBMPGPCPLWBL-CVEARBPZSA-N	1	0	348.422	0.842	40	0		ECABRO
CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@@](C)(C(=O)NC)C2)CC1	ZINC000585282973	439639619	/nfs/dbraw/zinc/63/96/19/439639619.db2.gz	LBFCERPIOQAPSP-MRXNPFEDSA-N	1	0	341.452	0.818	40	0		ECABRO
CCOc1ccc(CN2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)cc1	ZINC000585292063	439641276	/nfs/dbraw/zinc/64/12/76/439641276.db2.gz	WPZYIIUKOCGRJV-KURKYZTESA-N	1	0	336.432	0.324	40	0		ECABRO
CN1C(=O)CO[C@@H]2CCN(C(=O)CC[N@H+](C)Cc3cccnc3)C[C@@H]21	ZINC000257259531	536304028	/nfs/dbraw/zinc/30/40/28/536304028.db2.gz	KYTVONSMKQQFLZ-JKSUJKDBSA-N	1	0	346.431	0.362	40	0		ECABRO
CCS(=O)(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)[C@]1(C[NH3+])COC	ZINC000242548447	545934675	/nfs/dbraw/zinc/93/46/75/545934675.db2.gz	LLXSNSPNPDJJQN-KFWWJZLASA-N	1	0	327.402	0.907	40	0		ECABRO
CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(C(C)(C)O)nn1	ZINC000008297992	564164090	/nfs/dbraw/zinc/16/40/90/564164090.db2.gz	FKNCYKDUQFWNGR-MJBXVCDLSA-N	1	0	335.452	0.741	40	0	biogenic,in-vitro	ECABRO
CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000004373357	210181339	/nfs/dbraw/zinc/18/13/39/210181339.db2.gz	FDMVHHVYOGARCF-IVMMDQJWSA-N	1	0	349.431	0.854	40	0		ECABRO
[NH3+]CCN1C(=O)CO[C@H](c2ccc(NC(=O)C3CCC3)cc2)[C@H]1CO	ZINC000072321381	216149881	/nfs/dbraw/zinc/14/98/81/216149881.db2.gz	UFEMUAMBQSBFAV-NVXWUHKLSA-N	1	0	347.415	0.645	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCNc1cnc([C@H]2CCCN(S(C)(=O)=O)C2)cn1	ZINC000072365005	216171978	/nfs/dbraw/zinc/17/19/78/216171978.db2.gz	SRSQAOSFTGBVHN-LBPRGKRZSA-N	1	0	327.454	0.589	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@H](c2ccnc(Nc3cnccn3)n2)C1	ZINC000072383018	216184155	/nfs/dbraw/zinc/18/41/55/216184155.db2.gz	CXPHLVUDAWJVRZ-LBPRGKRZSA-N	1	0	327.392	0.936	40	0		ECABRO
CNC(=O)c1ccc([C@@H]2CN(c3cc(C)[nH+]c(N)n3)CCO2)nc1	ZINC000072388043	216188437	/nfs/dbraw/zinc/18/84/37/216188437.db2.gz	VQLABBBAIDTSOO-ZDUSSCGKSA-N	1	0	328.376	0.700	40	0		ECABRO
CCOC[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218133903	241300395	/nfs/dbraw/zinc/30/03/95/241300395.db2.gz	CPFFRSNGZKOVOH-ILXRZTDVSA-N	1	0	327.402	0.907	40	0		ECABRO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCC1)Nc1ccccc1	ZINC000020465033	212135058	/nfs/dbraw/zinc/13/50/58/212135058.db2.gz	QECQIILHBCQFHE-FXUDXRNXSA-N	1	0	335.404	0.393	40	0	biogenic,in-vitro	ECABRO
Cn1c(=O)oc2ccc(C(=O)N3CC[C@](O)(C[NH+]4CCCC4)C3)cc21	ZINC000257217859	244174476	/nfs/dbraw/zinc/17/44/76/244174476.db2.gz	DAXJOBIIBUVJPR-SFHVURJKSA-N	1	0	345.399	0.804	40	0		ECABRO
COc1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)nc(OC)n1	ZINC000257232919	244220326	/nfs/dbraw/zinc/22/03/26/244220326.db2.gz	GMYUQPYUTTUDBH-MRXNPFEDSA-N	1	0	336.392	0.167	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@H+](C)C1	ZINC000257248558	244263234	/nfs/dbraw/zinc/26/32/34/244263234.db2.gz	JEFDRVZLXJNQTC-OAHLLOKOSA-N	1	0	343.431	0.563	40	0		ECABRO
CC(C)c1ncc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)cn1	ZINC000257281359	244406962	/nfs/dbraw/zinc/40/69/62/244406962.db2.gz	OOUYGBNJMSBLQN-SFHVURJKSA-N	1	0	347.463	0.424	40	0		ECABRO
CNC(=O)c1cnc(-c2ccccc2)nc1CCNC(=O)C[NH+](C)C	ZINC000019697441	212056330	/nfs/dbraw/zinc/05/63/30/212056330.db2.gz	HGPDGJOETIVTCY-UHFFFAOYSA-N	1	0	341.415	0.724	40	0		ECABRO
Cc1nc(N2CCOCC2)nc2c1CC[N@H+](Cc1cnn(C)c1)CC2	ZINC000096254567	218725128	/nfs/dbraw/zinc/72/51/28/218725128.db2.gz	LLYHQNXFLBWZBV-UHFFFAOYSA-N	1	0	342.447	0.956	40	0		ECABRO
COCC[N@@H+]1CC2(C[C@@H]1COC)CCN(S(=O)(=O)N(C)C)CC2	ZINC000096206120	285008894	/nfs/dbraw/zinc/00/88/94/285008894.db2.gz	DPYCGUMCBZARTQ-CQSZACIVSA-N	1	0	349.497	0.242	40	0		ECABRO
C[NH+](C)CCCNC(=O)CNC(=O)c1ccc(Br)o1	ZINC000004986056	210349511	/nfs/dbraw/zinc/34/95/11/210349511.db2.gz	NVDHSTQMBBWLFE-UHFFFAOYSA-N	1	0	332.198	0.840	40	0		ECABRO
Cc1ccccc1OC[C@@H](O)C[NH2+]CCn1cc(C)c(=O)[nH]c1=O	ZINC000001532363	435958349	/nfs/dbraw/zinc/95/83/49/435958349.db2.gz	RETPFDTUCPKFEC-AWEZNQCLSA-N	1	0	333.388	0.183	40	0	in-man	ECABRO
COCC[NH+](CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1	ZINC000030878706	436224250	/nfs/dbraw/zinc/22/42/50/436224250.db2.gz	CBWBMYDVGSDMRO-JYJNAYRXSA-N	1	0	344.452	0.158	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000045164771	436361831	/nfs/dbraw/zinc/36/18/31/436361831.db2.gz	RWTCYENJTFHZND-UHFFFAOYSA-N	1	0	339.461	0.765	40	0		ECABRO
COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cnc(C)cn1)C2	ZINC000096202383	436522326	/nfs/dbraw/zinc/52/23/26/436522326.db2.gz	IFLBVXFEDXQJAX-KDOFPFPSSA-N	1	0	348.447	0.842	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052044	436505941	/nfs/dbraw/zinc/50/59/41/436505941.db2.gz	ZWQPWHMZEXHXOV-GDBMZVCRSA-N	1	0	344.477	0.682	40	0		ECABRO
CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccncc3)CC2)O1	ZINC000096062623	436508412	/nfs/dbraw/zinc/50/84/12/436508412.db2.gz	VRCGOKKWAMWHGW-HNNXBMFYSA-N	1	0	341.415	0.914	40	0		ECABRO
COc1cc(N2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)ncn1	ZINC000096067730	436510240	/nfs/dbraw/zinc/51/02/40/436510240.db2.gz	COMXXQDTDLNGCY-UHFFFAOYSA-N	1	0	343.431	0.814	40	0		ECABRO
Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(COCC(=O)N(C)C)C2)n1	ZINC000096108700	436512935	/nfs/dbraw/zinc/51/29/35/436512935.db2.gz	DXSMGRNXEWBNFW-QAPCUYQASA-N	1	0	333.432	0.943	40	0		ECABRO
C[N@@H+]1C[C@H](COCC2CC2)[C@]2(CCN(C(=O)CS(C)(=O)=O)C2)C1	ZINC000096219394	436525436	/nfs/dbraw/zinc/52/54/36/436525436.db2.gz	LPPDFZSXFYIBTM-GDBMZVCRSA-N	1	0	344.477	0.238	40	0		ECABRO
COc1ccccc1CN1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1	ZINC000108532645	436619228	/nfs/dbraw/zinc/61/92/28/436619228.db2.gz	JDMFFWBZKIADDB-HOCLYGCPSA-N	1	0	340.445	0.930	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1	ZINC000248153462	436800687	/nfs/dbraw/zinc/80/06/87/436800687.db2.gz	UZPLODZGARHLHY-BRWVUGGUSA-N	1	0	341.415	0.692	40	0		ECABRO
CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](CC2=Cc3ccccc3OC2)C1	ZINC000257334627	436874594	/nfs/dbraw/zinc/87/45/94/436874594.db2.gz	YGSCNMIABJQRGR-QGZVFWFLSA-N	1	0	343.427	0.989	40	0		ECABRO
Cc1nccc(N2CC[N@@H+](C3CCOCC3)C[C@H](C(=O)N(C)C)C2)n1	ZINC000257206507	436859246	/nfs/dbraw/zinc/85/92/46/436859246.db2.gz	BDUJYNNUGOJOJC-HNNXBMFYSA-N	1	0	347.463	0.790	40	0		ECABRO
Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cnc[nH]3)C2)s1	ZINC000257282297	436861066	/nfs/dbraw/zinc/86/10/66/436861066.db2.gz	OTELSFAPDIGCAH-HIFRSBDPSA-N	1	0	336.417	0.117	40	0		ECABRO
Cc1c(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)cnn1C	ZINC000257280498	436862025	/nfs/dbraw/zinc/86/20/25/436862025.db2.gz	OLCRZCQRQXXLEU-OAHLLOKOSA-N	1	0	335.452	0.127	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCc2nnc(C(C)C)o2)CC[N@H+](C)C1	ZINC000257282495	436862547	/nfs/dbraw/zinc/86/25/47/436862547.db2.gz	OTYMPKCNENZFLL-LBPRGKRZSA-N	1	0	337.424	0.262	40	0		ECABRO
CNC(=O)CCc1cc(C2CC[NH+]([C@H]3COC[C@@H]3O)CC2)nc(C)n1	ZINC000257294699	436864548	/nfs/dbraw/zinc/86/45/48/436864548.db2.gz	QVHVLMJRWNXGBL-IRXDYDNUSA-N	1	0	348.447	0.403	40	0		ECABRO
O=C(CO)N1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257299576	436865475	/nfs/dbraw/zinc/86/54/75/436865475.db2.gz	RQQHAFVWNXJEAI-IBGZPJMESA-N	1	0	347.459	0.545	40	0		ECABRO
C[C@@]12C[C@H](CNC(=O)CCN3CCCC3=O)[NH2+][C@@H]1CCCC[C@@H]2O	ZINC000257298962	436866066	/nfs/dbraw/zinc/86/60/66/436866066.db2.gz	ROCCMMMLNFBMLV-ZXFNITATSA-N	1	0	337.464	0.787	40	0		ECABRO
CN(C)S(=O)(=O)N1CCC(Cc2cnc(C[NH+](C)C)cn2)CC1	ZINC000257302819	436867127	/nfs/dbraw/zinc/86/71/27/436867127.db2.gz	SEPTXQBSXJZDAS-UHFFFAOYSA-N	1	0	341.481	0.599	40	0		ECABRO
Cc1c[nH]c([C@@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CCO2)n1	ZINC000257323519	436870589	/nfs/dbraw/zinc/87/05/89/436870589.db2.gz	WKOQGGOYXCTAGQ-HNNXBMFYSA-N	1	0	335.452	0.644	40	0		ECABRO
CCOc1ccc(CN2CC[N@H+](C)C[C@@H](C(=O)NC)C2)cc1CO	ZINC000257324427	436873133	/nfs/dbraw/zinc/87/31/33/436873133.db2.gz	WOQBQWATPGGTSA-MRXNPFEDSA-N	1	0	335.448	0.687	40	0		ECABRO
CN1C[C@@H](c2ccccc2)[C@@]2(CN(C(=O)C[NH+](C)C)CCO2)C1=O	ZINC000306139610	437168382	/nfs/dbraw/zinc/16/83/82/437168382.db2.gz	TVSFXMJTNRPNRW-YJBOKZPZSA-N	1	0	331.416	0.401	40	0		ECABRO
CNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2cccnc2)n1	ZINC000329059570	437311754	/nfs/dbraw/zinc/31/17/54/437311754.db2.gz	WHSKTVHKQNVCFD-UHFFFAOYSA-N	1	0	327.436	0.083	40	0		ECABRO
CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1	ZINC000514288531	438813930	/nfs/dbraw/zinc/81/39/30/438813930.db2.gz	CBRQRDPAGFIHSZ-DLBZAZTESA-N	1	0	344.459	0.569	40	0	biogenic,in-vitro	ECABRO
COCC[N@@H+]1CCOC[C@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1	ZINC000585104994	439629670	/nfs/dbraw/zinc/62/96/70/439629670.db2.gz	XPCBLCIYYMHEBD-QGZVFWFLSA-N	1	0	337.420	0.989	40	0		ECABRO
CN(CC(=O)N[C@@H]1CCCc2ccccc21)C[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291210	439641967	/nfs/dbraw/zinc/64/19/67/439641967.db2.gz	NGAHLWZBKIZYTH-MYZZLAAOSA-N	1	0	348.443	0.480	40	0		ECABRO
CC(=O)N[C@H]1CC[C@](CNC(=O)CC[NH3+])(c2ccccc2)CC[C@@H]1O	ZINC000257235347	534671923	/nfs/dbraw/zinc/67/19/23/534671923.db2.gz	GXKOLSBOAYHZTK-LNLFQRSKSA-N	1	0	347.459	0.829	40	0		ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218131120	535596513	/nfs/dbraw/zinc/59/65/13/535596513.db2.gz	DPYIVCDNAIVXRK-IPYPFGDCSA-N	1	0	341.385	0.434	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@H+](C)C1	ZINC000257256750	536398395	/nfs/dbraw/zinc/39/83/95/536398395.db2.gz	KMTBYPRAKBUKQS-ZDUSSCGKSA-N	1	0	346.431	0.416	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1	ZINC000257255754	536400003	/nfs/dbraw/zinc/40/00/03/536400003.db2.gz	KIRYUQYPOBGXNZ-HNNXBMFYSA-N	1	0	347.415	0.484	40	0		ECABRO
CC(=O)N1CCC([NH2+]C2(Cc3cc(CN(C)C)on3)COC2)CC1	ZINC000067897780	215245394	/nfs/dbraw/zinc/24/53/94/215245394.db2.gz	UDIPLAYWDMWKTH-UHFFFAOYSA-N	1	0	336.436	0.648	40	0	biogenic,in-vitro	ECABRO
CCOC[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218134079	241299162	/nfs/dbraw/zinc/29/91/62/241299162.db2.gz	CPFFRSNGZKOVOH-KKUMJFAQSA-N	1	0	327.402	0.907	40	0		ECABRO
COC(=O)[C@@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCN1C(=O)OC(C)(C)C	ZINC000079419994	284099542	/nfs/dbraw/zinc/09/95/42/284099542.db2.gz	HWIVCTVMXOBHGQ-RYUDHWBXSA-N	1	0	343.424	0.591	40	0		ECABRO
O=C(c1ccc(=O)[nH]c1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1	ZINC000257254104	244276390	/nfs/dbraw/zinc/27/63/90/244276390.db2.gz	KBPVCHDBJCVFNF-QGZVFWFLSA-N	1	0	335.404	0.477	40	0		ECABRO
COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H]([NH3+])C(C)C)C(C)C)C(C)C	ZINC000004778065	210277503	/nfs/dbraw/zinc/27/75/03/210277503.db2.gz	LIUXYJCYYMVZRA-UPJWGTAASA-N	1	0	329.441	0.424	40	0		ECABRO
C[NH+]1CCN(C[C@@H]2OC[C@H](NC(=O)CCc3ccccc3)[C@H]2O)CC1	ZINC000514289710	257845436	/nfs/dbraw/zinc/84/54/36/257845436.db2.gz	ZEHMCVGIUSLEDS-JENIJYKNSA-N	1	0	347.459	0.111	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1CCN(C(=O)CCn2cnc3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257319805	277089540	/nfs/dbraw/zinc/08/95/40/277089540.db2.gz	VUCDPHLTWXFMPP-ZDUSSCGKSA-N	1	0	329.404	0.302	40	0		ECABRO
Cc1ncsc1C[N@@H+]1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1	ZINC000096108343	436513939	/nfs/dbraw/zinc/51/39/39/436513939.db2.gz	YABXGHFNNMWXDG-YPMHNXCESA-N	1	0	331.463	0.449	40	0		ECABRO
CN(C)C(=O)CN1CCC2(CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000096157802	436517003	/nfs/dbraw/zinc/51/70/03/436517003.db2.gz	BRIYWIGNFAAMCJ-UHFFFAOYSA-N	1	0	330.432	0.984	40	0		ECABRO
COCC(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC000096185661	436519499	/nfs/dbraw/zinc/51/94/99/436519499.db2.gz	VQNFMEDWAHFGCG-PMPSAXMXSA-N	1	0	333.436	0.626	40	0		ECABRO
O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@H+](C[C@@H]2CCOC2)C1	ZINC000096188740	436521554	/nfs/dbraw/zinc/52/15/54/436521554.db2.gz	UTYLUWCPPIVAMI-GJZGRUSLSA-N	1	0	329.404	0.608	40	0		ECABRO
CN(C)C(=O)COC[C@@H]1Cn2nccc2C[N@H+](C[C@@H]2CCOC2)C1	ZINC000096189076	436521642	/nfs/dbraw/zinc/52/16/42/436521642.db2.gz	XFVZOHRZSRBSKX-GJZGRUSLSA-N	1	0	336.436	0.456	40	0		ECABRO
CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1	ZINC000096036751	436505618	/nfs/dbraw/zinc/50/56/18/436505618.db2.gz	WYOZETOYDDMHIF-HNNXBMFYSA-N	1	0	341.415	0.914	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccncc1)C2	ZINC000096060676	436509240	/nfs/dbraw/zinc/50/92/40/436509240.db2.gz	HLHIEIYQUOEJFM-OAHLLOKOSA-N	1	0	330.436	0.888	40	0		ECABRO
COCCC(=O)N1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096073998	436511092	/nfs/dbraw/zinc/51/10/92/436511092.db2.gz	BFENYVVZPMMPBM-SFHVURJKSA-N	1	0	337.464	0.960	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1cccnc1)CCC2	ZINC000096084345	436512742	/nfs/dbraw/zinc/51/27/42/436512742.db2.gz	IKWZSWCKFIYVPB-UHFFFAOYSA-N	1	0	344.419	0.797	40	0		ECABRO
COCCNC(=O)[C@]12COC[C@H]1C[N@H+](Cc1nc(C)cs1)C2	ZINC000096110032	436513001	/nfs/dbraw/zinc/51/30/01/436513001.db2.gz	COQIXFUTIDBVAD-IUODEOHRSA-N	1	0	325.434	0.663	40	0		ECABRO
Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@@H+]2C[C@@H]2CCOC2)cn1	ZINC000096200967	436523757	/nfs/dbraw/zinc/52/37/57/436523757.db2.gz	VRTPZEFCEBWESD-UHOSZYNNSA-N	1	0	347.507	0.689	40	0		ECABRO
O=S1(=O)C[C@H]([NH2+]C[C@@H](c2cccs2)N2CCCC2)[C@H](O)C1	ZINC000105678122	436576287	/nfs/dbraw/zinc/57/62/87/436576287.db2.gz	QGCOMHAVTVZOHF-RWMBFGLXSA-N	1	0	330.475	0.633	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2ccncc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257280731	436862434	/nfs/dbraw/zinc/86/24/34/436862434.db2.gz	OMCRVONXAMUHHT-INIZCTEOSA-N	1	0	332.448	0.740	40	0		ECABRO
CN(C)c1cc(C[C@@H]2CN(c3ncccn3)CC[N@H+](C)C2)ncn1	ZINC000257283006	436862755	/nfs/dbraw/zinc/86/27/55/436862755.db2.gz	OWIMCJGMZJEMJC-AWEZNQCLSA-N	1	0	327.436	0.943	40	0		ECABRO
CNC(=O)CCc1cc(C2CC[NH+]([C@H]3COC[C@H]3O)CC2)nc(C)n1	ZINC000257294697	436863696	/nfs/dbraw/zinc/86/36/96/436863696.db2.gz	QVHVLMJRWNXGBL-DLBZAZTESA-N	1	0	348.447	0.403	40	0		ECABRO
CNC(=O)CCc1cc(C2CC[NH+]([C@@H]3COC[C@H]3O)CC2)nc(C)n1	ZINC000257294698	436864098	/nfs/dbraw/zinc/86/40/98/436864098.db2.gz	QVHVLMJRWNXGBL-IAGOWNOFSA-N	1	0	348.447	0.403	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)CCc3ccccc3F)C2)CC1	ZINC000257288299	436864442	/nfs/dbraw/zinc/86/44/42/436864442.db2.gz	PTRBTDWHMDBUAP-IBGZPJMESA-N	1	0	349.450	0.969	40	0		ECABRO
O=C1CCCN1c1ccc(C[N@@H+]2CC[C@H]3OCC(=O)N[C@H]3C2)cc1	ZINC000257308933	436868352	/nfs/dbraw/zinc/86/83/52/436868352.db2.gz	TYUFYKOHIGXUPR-JKSUJKDBSA-N	1	0	329.400	0.903	40	0		ECABRO
Cc1ccc(CN2C(=O)C[C@@]23COCCN(C(=O)C[NH+](C)C)C3)cc1	ZINC000257311615	436868867	/nfs/dbraw/zinc/86/88/67/436868867.db2.gz	UKHXESBDQGLNFC-LJQANCHMSA-N	1	0	345.443	0.887	40	0		ECABRO
CNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccn2)n1	ZINC000328962541	437293733	/nfs/dbraw/zinc/29/37/33/437293733.db2.gz	BIPGUQAIFAYAFH-UHFFFAOYSA-N	1	0	327.436	0.083	40	0		ECABRO
CC(C)C(=O)N1CC2(C1)CN(Cc1cccnc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290047	438813741	/nfs/dbraw/zinc/81/37/41/438813741.db2.gz	RYZQGBGWFBXDQD-DLBZAZTESA-N	1	0	344.459	0.569	40	0	biogenic,in-vitro	ECABRO
COCC[NH2+]C[C@]1(O)CN(C(=O)CCc2ccccc2)CC[C@H]1O	ZINC000585286742	439640361	/nfs/dbraw/zinc/64/03/61/439640361.db2.gz	UPRKVASVASINSA-AEFFLSMTSA-N	1	0	336.432	0.180	40	0		ECABRO
CO[C@H]1CCCN(C(=O)/C=C/C[NH+](C)C)[C@H]1CCC(=O)N(C)C	ZINC000585289278	439641324	/nfs/dbraw/zinc/64/13/24/439641324.db2.gz	HFDJHVMYPZEOTR-LADOHOGBSA-N	1	0	325.453	0.979	40	0		ECABRO
C[C@@]1(C(N)=O)C[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CCO1	ZINC000585288835	439641844	/nfs/dbraw/zinc/64/18/44/439641844.db2.gz	JZPLWFHKDPSXJL-LHHMISFZSA-N	1	0	334.416	0.924	40	0		ECABRO
Cc1cnccc1C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290317	439642259	/nfs/dbraw/zinc/64/22/59/439642259.db2.gz	BMDCKCQMSQHCFS-QRVBRYPASA-N	1	0	349.475	0.654	40	0		ECABRO
COc1ncccc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000257242647	537152717	/nfs/dbraw/zinc/15/27/17/537152717.db2.gz	IDLQTPXMHTTZBA-HOTGVXAUSA-N	1	0	348.447	0.303	40	0		ECABRO
C[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCC[NH+](C)C	ZINC000224903919	564043904	/nfs/dbraw/zinc/04/39/04/564043904.db2.gz	ANIFKGJFWXTHJH-GFCCVEGCSA-N	1	0	343.449	0.528	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccncc1)C2	ZINC000096068817	282109127	/nfs/dbraw/zinc/10/91/27/282109127.db2.gz	UFBXACUJBVRQPJ-CQSZACIVSA-N	1	0	344.419	0.528	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccccc2)C[C@@](O)(Cn2cccn2)C1	ZINC000072354455	216161693	/nfs/dbraw/zinc/16/16/93/216161693.db2.gz	HLCPRHZCEOYJRW-GOSISDBHSA-N	1	0	328.416	0.631	40	0		ECABRO
CN(C)c1cc(C[C@H]2C[NH2+]CCN(C(=O)c3ccccn3)C2)ncn1	ZINC000072355135	216164218	/nfs/dbraw/zinc/16/42/18/216164218.db2.gz	MKKMRYRQPDSAHC-AWEZNQCLSA-N	1	0	340.431	0.842	40	0		ECABRO
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nc(C2CC[NH+](C)CC2)n1	ZINC000072365919	216171695	/nfs/dbraw/zinc/17/16/95/216171695.db2.gz	GEHHAUPEJVPCEW-UHFFFAOYSA-N	1	0	345.447	0.932	40	0		ECABRO
Cc1cc(N(C)C)cc([C@@H]2CN(S(=O)(=O)N(C)C)CCO2)[nH+]1	ZINC000257204358	244129838	/nfs/dbraw/zinc/12/98/38/244129838.db2.gz	AUDWJJFJHXPKRY-AWEZNQCLSA-N	1	0	328.438	0.636	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3nccn3C)C[C@H]2O)cc1	ZINC000257211237	244151051	/nfs/dbraw/zinc/15/10/51/244151051.db2.gz	BYASMYJLUDQEQO-HZPDHXFCSA-N	1	0	344.415	0.746	40	0		ECABRO
O=C(c1ccc(=O)[nH]n1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257231009	244212424	/nfs/dbraw/zinc/21/24/24/244212424.db2.gz	GEUSIZQSCPSCLD-AWEZNQCLSA-N	1	0	342.346	0.078	40	0		ECABRO
O=C(C[NH+]1CCCC1)N1CCOC[C@H](Cc2cn3ccnc3cn2)C1	ZINC000257253321	244277021	/nfs/dbraw/zinc/27/70/21/244277021.db2.gz	JYLBHLZMVJMQRN-OAHLLOKOSA-N	1	0	343.431	0.843	40	0		ECABRO
C[N@@H+]1CCC[C@H](NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1	ZINC000019749814	212062356	/nfs/dbraw/zinc/06/23/56/212062356.db2.gz	UINQVOQGWNLMCS-ZDUSSCGKSA-N	1	0	342.403	0.741	40	0		ECABRO
CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@H]3CC[NH2+]C3)ncc2C1	ZINC000019460487	212030102	/nfs/dbraw/zinc/03/01/02/212030102.db2.gz	RVFFRHRDUAWNFT-WCQYABFASA-N	1	0	344.415	0.780	40	0		ECABRO
COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1	ZINC000096228776	218705283	/nfs/dbraw/zinc/70/52/83/218705283.db2.gz	WEGCMHCUOCXHCA-KRWDZBQOSA-N	1	0	336.436	0.621	40	0		ECABRO
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(C)CC2)cc1	ZINC000298054574	265220372	/nfs/dbraw/zinc/22/03/72/265220372.db2.gz	BFSQKLQWSHGRIC-LBPRGKRZSA-N	1	0	341.433	0.136	40	0		ECABRO
COc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1N1CCCC1=O	ZINC000044901629	277922826	/nfs/dbraw/zinc/92/28/26/277922826.db2.gz	CIBJOGABXHYCMK-UHFFFAOYSA-N	1	0	341.433	0.662	40	0		ECABRO
Cc1c(C[N@@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)cnn1C	ZINC000257293711	280225808	/nfs/dbraw/zinc/22/58/08/280225808.db2.gz	QQVSVRXVSHRDSM-CZUORRHYSA-N	1	0	333.392	0.189	40	0		ECABRO
CN1c2ccccc2[C@]2(NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)C1=O	ZINC000039921223	436263128	/nfs/dbraw/zinc/26/31/28/436263128.db2.gz	KXHIHKJYAPKVHK-GOSISDBHSA-N	1	0	346.350	0.814	40	0		ECABRO
COc1cccc(S(=O)(=O)N2C[C@@H]3COC[C@]3(C[NH+](C)C)C2)c1	ZINC000096108254	436513735	/nfs/dbraw/zinc/51/37/35/436513735.db2.gz	LVULZHWRVLLUAQ-CJNGLKHVSA-N	1	0	340.445	0.894	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccno3)C2)cn1	ZINC000096108473	436513857	/nfs/dbraw/zinc/51/38/57/436513857.db2.gz	RLBDQEVBBSTTSE-CJNGLKHVSA-N	1	0	331.376	0.287	40	0		ECABRO
CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@@H]2OC	ZINC000096109407	436514113	/nfs/dbraw/zinc/51/41/13/436514113.db2.gz	XUDHREMINVGAKW-ZNMIVQPWSA-N	1	0	325.434	0.811	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[C@]2(C[C@H](OCC[NH+]3CCCC3)CO2)C1	ZINC000096110865	436514259	/nfs/dbraw/zinc/51/42/59/436514259.db2.gz	BSFSBFXKZLUGKX-HOCLYGCPSA-N	1	0	344.477	0.824	40	0		ECABRO
CS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1	ZINC000096185662	436519014	/nfs/dbraw/zinc/51/90/14/436519014.db2.gz	XNRKIFHEJJCQBO-ILXRZTDVSA-N	1	0	339.465	0.413	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2cccnc2)C3)cn1	ZINC000096061020	436508861	/nfs/dbraw/zinc/50/88/61/436508861.db2.gz	DZHZQLISNMOYDL-AWEZNQCLSA-N	1	0	325.376	0.762	40	0		ECABRO
Cn1ccnc1CN1CCC2(CC1)CN(CC[NH+](C)C)C(=O)CO2	ZINC000096201352	436522865	/nfs/dbraw/zinc/52/28/65/436522865.db2.gz	LMVTUYGKVBTYLQ-UHFFFAOYSA-N	1	0	335.452	0.175	40	0		ECABRO
COc1ccc(CN2C(=O)CO[C@@H]3CN(CC[NH+](C)C)C[C@H]32)cc1	ZINC000096081667	436510519	/nfs/dbraw/zinc/51/05/19/436510519.db2.gz	KKLSMDCCHUWSMW-IAGOWNOFSA-N	1	0	333.432	0.668	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccoc1)CCC2	ZINC000096084342	436511935	/nfs/dbraw/zinc/51/19/35/436511935.db2.gz	ZXGRCHCNGIJTTN-UHFFFAOYSA-N	1	0	333.392	0.995	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccnnc1)CCC2	ZINC000096084346	436512710	/nfs/dbraw/zinc/51/27/10/436512710.db2.gz	RIVAKXKUQQGGLJ-UHFFFAOYSA-N	1	0	345.407	0.192	40	0		ECABRO
COCCNC(=O)[C@H]1CO[C@@H]2C[N@H+](Cc3ccc4c(c3)OCO4)C[C@H]12	ZINC000096216053	436524477	/nfs/dbraw/zinc/52/44/77/436524477.db2.gz	WOBQSYVTUMGPLW-JKIFEVAISA-N	1	0	348.399	0.625	40	0		ECABRO
CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1	ZINC000096228842	436527321	/nfs/dbraw/zinc/52/73/21/436527321.db2.gz	RTVGNLMPRODAMJ-SFHVURJKSA-N	1	0	332.448	0.742	40	0		ECABRO
[NH3+][C@H]1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)C1	ZINC000096530692	436533913	/nfs/dbraw/zinc/53/39/13/436533913.db2.gz	RWGVHHCMZDUWJG-ZDUSSCGKSA-N	1	0	328.351	0.616	40	0		ECABRO
Cc1cnc(N2CCO[C@@]3(C2)COCCN(CC[NH+](C)C)C3)nc1	ZINC000096229391	302351637	/nfs/dbraw/zinc/35/16/37/302351637.db2.gz	NKUBZQBKXLXUKR-KRWDZBQOSA-N	1	0	335.452	0.254	40	0		ECABRO
COCCNC(=O)C[C@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21	ZINC000247816838	436797004	/nfs/dbraw/zinc/79/70/04/436797004.db2.gz	BKYLGZZHWVPBTA-INIZCTEOSA-N	1	0	336.436	0.819	40	0		ECABRO
CC(=O)N1CCC([N@@H+]2CCOC[C@H](Cc3cc(=O)[nH]cn3)C2)CC1	ZINC000257310404	436868268	/nfs/dbraw/zinc/86/82/68/436868268.db2.gz	UEYHKSMWQZAOOE-CQSZACIVSA-N	1	0	334.420	0.684	40	0		ECABRO
Cc1cc(C(=O)N2CCC[C@](O)(C[NH+]3CCOCC3)CC2)nc(N)n1	ZINC000257305014	436868580	/nfs/dbraw/zinc/86/85/80/436868580.db2.gz	SOCHSKLGNFELDS-QGZVFWFLSA-N	1	0	349.435	0.057	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(c2ccncn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257305833	436868934	/nfs/dbraw/zinc/86/89/34/436868934.db2.gz	SRTCUTUJHCHCQC-CQSZACIVSA-N	1	0	333.436	0.482	40	0		ECABRO
COc1ccc([C@H]2C[NH2+]CCN2C(=O)Cn2nc(C)ccc2=O)cc1	ZINC000257316781	436870780	/nfs/dbraw/zinc/87/07/80/436870780.db2.gz	VGYXCZMGYATDOZ-MRXNPFEDSA-N	1	0	342.399	0.733	40	0		ECABRO
CC(=O)NCc1nccnc1C1CC[NH+](CC2(O)CCOCC2)CC1	ZINC000257337827	436875525	/nfs/dbraw/zinc/87/55/25/436875525.db2.gz	YUOILLJMDIRLJO-UHFFFAOYSA-N	1	0	348.447	0.834	40	0		ECABRO
[NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@@]2(N1)c1ccccc1NC2=O	ZINC000022241506	303360499	/nfs/dbraw/zinc/36/04/99/303360499.db2.gz	DUSDWEOFXJUITQ-KRWDZBQOSA-N	1	0	332.323	0.790	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2	ZINC000306126568	437163634	/nfs/dbraw/zinc/16/36/34/437163634.db2.gz	DZCVFYQEMCLMAB-KBPBESRZSA-N	1	0	338.415	0.870	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@H]1C2	ZINC000306126571	437165510	/nfs/dbraw/zinc/16/55/10/437165510.db2.gz	DZCVFYQEMCLMAB-ZIAGYGMSSA-N	1	0	338.415	0.870	40	0		ECABRO
Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3ccsc3)C1)OC2	ZINC000306141753	437166517	/nfs/dbraw/zinc/16/65/17/437166517.db2.gz	WFMMQFZJKHBZNK-OAHLLOKOSA-N	1	0	334.401	0.178	40	0		ECABRO
CCOC(=O)[C@@]12C[N@H+](CC)C[C@@H]1CN(C(=O)C1CC(O)C1)CCC2	ZINC000585108171	439631489	/nfs/dbraw/zinc/63/14/89/439631489.db2.gz	KQKTUQGUXQCCRS-UUDIZGDISA-N	1	0	338.448	0.881	40	0		ECABRO
CNC(=O)C[C@@H]1C[N@H+](Cc2cnn3c2nc(C)cc3C)C[C@@H]1OC	ZINC000585277647	439636708	/nfs/dbraw/zinc/63/67/08/439636708.db2.gz	JTPXYYHFAKWWOZ-HIFRSBDPSA-N	1	0	331.420	0.929	40	0		ECABRO
O=C(N1CC2(C1)C[C@@H](CO)C[N@@H+]2CC1CC1)C1(F)CCOCC1	ZINC000585093803	439627314	/nfs/dbraw/zinc/62/73/14/439627314.db2.gz	GRBJYGJNBYCCNQ-CQSZACIVSA-N	1	0	326.412	0.810	40	0		ECABRO
C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)c1cc(=O)[nH]c(=O)[nH]1)C2)[C@H]3O	ZINC000257212936	244157965	/nfs/dbraw/zinc/15/79/65/244157965.db2.gz	CFMVVOYYEFTHCD-RIOGYKSTSA-N	1	0	348.403	0.194	40	0		ECABRO
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CC[NH3+])C2)c2cnccc2n1	ZINC000257216243	244168384	/nfs/dbraw/zinc/16/83/84/244168384.db2.gz	CTRKGYIOJCUFNQ-GOSISDBHSA-N	1	0	343.431	0.687	40	0		ECABRO
CCc1nc(C)c(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)[nH]1	ZINC000257216328	244168482	/nfs/dbraw/zinc/16/84/82/244168482.db2.gz	CUBDARRWSZNABH-AWEZNQCLSA-N	1	0	349.479	0.679	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)Cc2c(C)nc3ccccn32)CC[N@H+](C)C1	ZINC000257224200	244195533	/nfs/dbraw/zinc/19/55/33/244195533.db2.gz	FASFJVIRZUQIDG-CQSZACIVSA-N	1	0	343.431	0.321	40	0		ECABRO
O=C(COc1ccc(C[N@H+]2CC[C@@H](CO)C2)cc1)N1CCOCC1	ZINC000012191761	211315986	/nfs/dbraw/zinc/31/59/86/211315986.db2.gz	XGALLLMZGKIUHO-MRXNPFEDSA-N	1	0	334.416	0.738	40	0		ECABRO
CCOC[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2	ZINC000252514483	257659766	/nfs/dbraw/zinc/65/97/66/257659766.db2.gz	CPFFRSNGZKOVOH-RBSFLKMASA-N	1	0	327.402	0.907	40	0		ECABRO
CN1CCC([N@@H+]2CC[C@@](C)(O)[C@H](n3cnc4c3ncnc4N)C2)CC1	ZINC000257249012	277028342	/nfs/dbraw/zinc/02/83/42/277028342.db2.gz	JGIGPFKLWVTVQX-CXAGYDPISA-N	1	0	345.451	0.501	40	0		ECABRO
CNc1cc(C[NH2+]C)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000019760775	436108474	/nfs/dbraw/zinc/10/84/74/436108474.db2.gz	GZTPRIHPRNWGQZ-NSHDSACASA-N	1	0	328.442	0.181	40	0		ECABRO
C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000044901344	436352773	/nfs/dbraw/zinc/35/27/73/436352773.db2.gz	KDZLYSXSEPPEJJ-UHFFFAOYSA-N	1	0	345.490	0.827	40	0		ECABRO
COCC(=O)N1CCC2(CC[C@@]3(C(=O)N(C)C)C[N@H+](C)C[C@@H]23)CC1	ZINC000096143847	436516196	/nfs/dbraw/zinc/51/61/96/436516196.db2.gz	SMZFTLSMCHUDFU-KBXCAEBGSA-N	1	0	337.464	0.672	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)c2ccnnc2)C1	ZINC000096188982	436522077	/nfs/dbraw/zinc/52/20/77/436522077.db2.gz	JMYJXKDTMHUZEQ-AWEZNQCLSA-N	1	0	344.419	0.524	40	0		ECABRO
COCCNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cccnc1OC)C2	ZINC000096038702	436504834	/nfs/dbraw/zinc/50/48/34/436504834.db2.gz	YBYVWWUJNNSWQK-CRAIPNDOSA-N	1	0	349.431	0.834	40	0		ECABRO
C[NH+](C)CC(=O)NC[C@@H]1OCCc2cn(CC3CCOCC3)nc21	ZINC000096044437	436505560	/nfs/dbraw/zinc/50/55/60/436505560.db2.gz	JPBIHVYKOZIMHY-HNNXBMFYSA-N	1	0	336.436	0.601	40	0		ECABRO
C[NH+](C)CCN1CCOC[C@@]2(CN(Cc3nccs3)CCO2)C1	ZINC000096049776	436506384	/nfs/dbraw/zinc/50/63/84/436506384.db2.gz	HBFOALUOMROWGV-INIZCTEOSA-N	1	0	340.493	0.608	40	0		ECABRO
CN1CC[NH+]([C@H]2COC3(C2)CCN(C(=O)c2cnccn2)CC3)CC1	ZINC000096048858	436506610	/nfs/dbraw/zinc/50/66/10/436506610.db2.gz	CSDZEGQQUZXEAD-OAHLLOKOSA-N	1	0	345.447	0.488	40	0		ECABRO
O=S(=O)(C1CC1)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21	ZINC000096057943	436508012	/nfs/dbraw/zinc/50/80/12/436508012.db2.gz	UGLYBHBDXUTVFT-ARFHVFGLSA-N	1	0	344.477	0.823	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)cn1	ZINC000096107749	436512592	/nfs/dbraw/zinc/51/25/92/436512592.db2.gz	NTAVORUGPPFUKX-AEFFLSMTSA-N	1	0	348.447	0.793	40	0		ECABRO
CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cccnc1)CC[C@H]2OC	ZINC000096108529	436513149	/nfs/dbraw/zinc/51/31/49/436513149.db2.gz	XUDHREMINVGAKW-RRFJBIMHSA-N	1	0	325.434	0.811	40	0		ECABRO
Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@@H+]2C[C@H]2CCOC2)cn1	ZINC000096200968	436523795	/nfs/dbraw/zinc/52/37/95/436523795.db2.gz	VRTPZEFCEBWESD-QRQLOZEOSA-N	1	0	347.507	0.689	40	0		ECABRO
COCCNC(=O)C[C@]12COC[C@H]1C[N@H+](Cc1cccc(C)n1)C2	ZINC000096206389	436523907	/nfs/dbraw/zinc/52/39/07/436523907.db2.gz	VHIANXGPNFVLTK-QAPCUYQASA-N	1	0	333.432	0.991	40	0		ECABRO
C[NH+](C)CC(=O)N1CCOC[C@@]2(CN(c3ccccc3)C(=O)CO2)C1	ZINC000096240080	436526868	/nfs/dbraw/zinc/52/68/68/436526868.db2.gz	WOWZFJOHIFNEAX-SFHVURJKSA-N	1	0	347.415	0.209	40	0		ECABRO
COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ncccn1)CC2	ZINC000247886180	436798015	/nfs/dbraw/zinc/79/80/15/436798015.db2.gz	RSFPMZTUSBPIPK-HNNXBMFYSA-N	1	0	348.447	0.924	40	0		ECABRO
CC(=O)N1CCC([N@@H+]2CCN3[C@H](CN(C(C)=O)CC3(C)C)C2)CC1	ZINC000253407002	436841259	/nfs/dbraw/zinc/84/12/59/436841259.db2.gz	VNTKANBZEBRQMQ-KRWDZBQOSA-N	1	0	336.480	0.624	40	0	biogenic,in-vitro	ECABRO
CCCS(=O)(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257307785	436869005	/nfs/dbraw/zinc/86/90/05/436869005.db2.gz	TUCRGGVGGQKFNB-LBPRGKRZSA-N	1	0	326.409	0.894	40	0		ECABRO
CN1CCN([C@@H]2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C[C@H]2O)CC1	ZINC000257314648	436871066	/nfs/dbraw/zinc/87/10/66/436871066.db2.gz	UXWYVJTZQGDMAZ-QZTJIDSGSA-N	1	0	346.475	0.181	40	0		ECABRO
COc1cccc(S(=O)(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)c1	ZINC000257335762	436875652	/nfs/dbraw/zinc/87/56/52/436875652.db2.gz	YLTDMBHYBABJQJ-GJZGRUSLSA-N	1	0	328.434	0.771	40	0		ECABRO
CC(=O)N1[C@H](Cn2cncn2)C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]21	ZINC000306132079	437167878	/nfs/dbraw/zinc/16/78/78/437167878.db2.gz	KXNCRLGNNSPBKQ-IKGGRYGDSA-N	1	0	343.435	0.523	40	0		ECABRO
CC(C)Nc1nc(NCCN2CCOCC2)cc(C(F)(F)F)n1	ZINC000329063963	437312209	/nfs/dbraw/zinc/31/22/09/437312209.db2.gz	XGXUEIGTFBGKOS-UHFFFAOYSA-N	1	0	333.358	0.904	40	0		ECABRO
CCCC[N@H+](C)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccccc2)[C@H]1O	ZINC000514288493	438812700	/nfs/dbraw/zinc/81/27/00/438812700.db2.gz	GCKIXHFGLURUGY-HRCADAONSA-N	1	0	342.461	0.825	40	0	biogenic,in-vitro	ECABRO
O=C(C[N@@H+]1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1)N1CCOCC1	ZINC000585278746	439638960	/nfs/dbraw/zinc/63/89/60/439638960.db2.gz	FTUNHUSXQQYSKQ-WBVHZDCISA-N	1	0	336.407	0.910	40	0		ECABRO
CCOc1ccccc1CN1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585291496	439641856	/nfs/dbraw/zinc/64/18/56/439641856.db2.gz	PINYIGFDPPGXNC-NUJGCVRESA-N	1	0	336.432	0.324	40	0		ECABRO
Cc1cnc(C(=O)N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cn1	ZINC000096227987	518191652	/nfs/dbraw/zinc/19/16/52/518191652.db2.gz	CFXQQYNWYRZZKP-UHFFFAOYSA-N	1	0	345.447	0.944	40	0		ECABRO
CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H](NS(C)(=O)=O)[C@@H]3C2)o1	ZINC000253606113	536180239	/nfs/dbraw/zinc/18/02/39/536180239.db2.gz	IWSSTIDCLHIMHN-KCPJHIHWSA-N	1	0	328.434	0.838	40	0		ECABRO
COC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@@H]1c1ccccc1	ZINC000054121095	214216746	/nfs/dbraw/zinc/21/67/46/214216746.db2.gz	ICYGTKXWRYSLGX-ZIAGYGMSSA-N	1	0	330.388	0.250	40	0		ECABRO
Cc1nc([C@H]2CCCN(C(=O)C[NH+](C)C)C2)ncc1C(=O)N(C)C	ZINC000072345568	216159543	/nfs/dbraw/zinc/15/95/43/216159543.db2.gz	IQJPGRBNPMWDCZ-ZDUSSCGKSA-N	1	0	333.436	0.754	40	0		ECABRO
Cc1nc2ccccn2c1CC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257204989	244130196	/nfs/dbraw/zinc/13/01/96/244130196.db2.gz	AXDKJTDBPGGZOD-HZPDHXFCSA-N	1	0	328.416	0.853	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)c3n[nH]c4c3CCC4)CC[C@@H]2O)CC1	ZINC000257201198	244120370	/nfs/dbraw/zinc/12/03/70/244120370.db2.gz	AGSSEAFNMGFMBM-HOTGVXAUSA-N	1	0	347.463	0.111	40	0		ECABRO
CNC(=O)[C@]1(CCCc2cccnc2)CCCN(C(=O)C[NH2+]C)C1	ZINC000257203412	244127777	/nfs/dbraw/zinc/12/77/77/244127777.db2.gz	APYDAERBAIYXJR-GOSISDBHSA-N	1	0	332.448	0.979	40	0		ECABRO
COCC(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+]1CCCC1	ZINC000257216648	244170798	/nfs/dbraw/zinc/17/07/98/244170798.db2.gz	CVNJXNWRHZOGES-LMSBXDPUSA-N	1	0	334.416	0.794	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2cncn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257263388	244352162	/nfs/dbraw/zinc/35/21/62/244352162.db2.gz	LPRMDIVBEQANBT-OAHLLOKOSA-N	1	0	349.479	0.421	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2nccn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257264529	244359043	/nfs/dbraw/zinc/35/90/43/244359043.db2.gz	LUVPWYBHPUVAAU-CQSZACIVSA-N	1	0	335.452	0.079	40	0		ECABRO
C[NH+]1CCC(NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)CC1	ZINC000019749833	212062494	/nfs/dbraw/zinc/06/24/94/212062494.db2.gz	NKOQXJHUYUIRMV-UHFFFAOYSA-N	1	0	342.403	0.741	40	0		ECABRO
O=C(N[C@H]1CCN2C(=O)c3ccccc3NC(=O)[C@@H]2C1)[C@H]1CCC[NH2+]1	ZINC000003840468	284199507	/nfs/dbraw/zinc/19/95/07/284199507.db2.gz	HYSFLGQWGSMLID-GLQYFDAESA-N	1	0	342.399	0.480	40	0	biogenic,in-vitro	ECABRO
CC[NH+]1CCN(C2=[NH+][C@@H](c3ccco3)[C@@H](C(=O)OC)C([O-])=N2)CC1	ZINC000054121098	285311658	/nfs/dbraw/zinc/31/16/58/285311658.db2.gz	ONCGDCALAKQHAE-OLZOCXBDSA-N	1	0	334.376	0.233	40	0		ECABRO
O=C(N1CCOCC1)[C@@]12CN(c3ncccn3)C[C@@H]1C[NH2+]CCC2	ZINC000306142203	257924725	/nfs/dbraw/zinc/92/47/25/257924725.db2.gz	WSVHOYIOCUXPBT-YOEHRIQHSA-N	1	0	331.420	0.141	40	0		ECABRO
COCCc1ccc(OC[C@H](O)COC[C@H](O)C[NH2+]C(C)C)cc1	ZINC000065742923	258012171	/nfs/dbraw/zinc/01/21/71/258012171.db2.gz	SETHZMZYJZUIRG-IAGOWNOFSA-N	1	0	341.448	0.991	40	0	in-vitro	ECABRO
COc1cccc(CC(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)c1	ZINC000257306695	278008843	/nfs/dbraw/zinc/00/88/43/278008843.db2.gz	SVKQOMAMKZRYFV-IBGZPJMESA-N	1	0	347.459	0.449	40	0		ECABRO
CN1CC[NH+](C[C@H]2OC[C@@H]3CCN(C(=O)N4CCCC4)C[C@@H]32)CC1	ZINC000096056270	290047183	/nfs/dbraw/zinc/04/71/83/290047183.db2.gz	HCLORELGDYRIMD-YESZJQIVSA-N	1	0	336.480	0.787	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)c1	ZINC000096161501	436517976	/nfs/dbraw/zinc/51/79/76/436517976.db2.gz	XTSVZYXQVRTWJY-GASCZTMLSA-N	1	0	347.444	0.568	40	0		ECABRO
Cn1cc(C(=O)NCc2cnc3n2CC[N@H+]([C@H]2CCOC2)CC3)cn1	ZINC000096197080	436520558	/nfs/dbraw/zinc/52/05/58/436520558.db2.gz	KHELIIGPGZLJEH-AWEZNQCLSA-N	1	0	344.419	0.194	40	0		ECABRO
C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)CC1	ZINC000096043005	436505356	/nfs/dbraw/zinc/50/53/56/436505356.db2.gz	VPTDWWHIDQVMQD-CWRNSKLLSA-N	1	0	345.447	0.671	40	0		ECABRO
Cn1cc(N2C[C@@]3(CC[N@H+](CC4CCOCC4)C3)N(C)CC2=O)cn1	ZINC000096050397	436507259	/nfs/dbraw/zinc/50/72/59/436507259.db2.gz	FRXXZDUELQLKMI-SFHVURJKSA-N	1	0	347.463	0.570	40	0		ECABRO
C[C@@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1cnn(C)c1	ZINC000096062008	436508922	/nfs/dbraw/zinc/50/89/22/436508922.db2.gz	JIBHXICIRXCBOZ-OAHLLOKOSA-N	1	0	343.479	0.941	40	0		ECABRO
CCn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1cnn(C)c1)C2	ZINC000096060859	436509051	/nfs/dbraw/zinc/50/90/51/436509051.db2.gz	LWACESJLBRWFBE-HNNXBMFYSA-N	1	0	347.467	0.709	40	0		ECABRO
CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1nccn1C)CC2	ZINC000096073133	436509695	/nfs/dbraw/zinc/50/96/95/436509695.db2.gz	ATNBSHYPNWMXHA-CQSZACIVSA-N	1	0	336.436	0.648	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@H](NS(=O)(=O)C1CC1)C2	ZINC000096067613	436509718	/nfs/dbraw/zinc/50/97/18/436509718.db2.gz	FZLJWIKKLLTJLT-ZDUSSCGKSA-N	1	0	339.461	0.349	40	0		ECABRO
O=C(C[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2)N1CCOCC1	ZINC000096206551	436523601	/nfs/dbraw/zinc/52/36/01/436523601.db2.gz	YGECJUJGIJTSDO-AEFFLSMTSA-N	1	0	331.416	0.779	40	0		ECABRO
Cc1cccc(C[NH+]2CCC3(CC2)C(=O)N(CCO)CCN3C)n1	ZINC000096230095	436527127	/nfs/dbraw/zinc/52/71/27/436527127.db2.gz	OBNMCLROKUYYKV-UHFFFAOYSA-N	1	0	332.448	0.491	40	0		ECABRO
Cn1ccnc1CN1CCC2(CC1)C(=O)N(C)CC[N@H+]2CC1CC1	ZINC000096230279	436527438	/nfs/dbraw/zinc/52/74/38/436527438.db2.gz	IQFVNFQOLXRIHK-UHFFFAOYSA-N	1	0	331.464	0.939	40	0		ECABRO
CC1=N[C@@]2(CC[C@@H]3C[N@@H+](CC(=O)N(C)C)C[C@@H]32)C(=O)N1CC1CC1	ZINC000096261486	436528709	/nfs/dbraw/zinc/52/87/09/436528709.db2.gz	LMJCOLJCDCQREA-RVKKMQEKSA-N	1	0	332.448	0.826	40	0		ECABRO
O=S(=O)(NC[C@H]1OC[C@@H]([NH2+]C2CCCC2)[C@@H]1O)c1ccccc1	ZINC000096296118	436530230	/nfs/dbraw/zinc/53/02/30/436530230.db2.gz	WSNYVQIUBVJJQC-OAGGEKHMSA-N	1	0	340.445	0.625	40	0	biogenic,in-vitro	ECABRO
O=C(Cn1cccn1)N1CC[C@@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257284273	436862824	/nfs/dbraw/zinc/86/28/24/436862824.db2.gz	PBZWHZCSTVKCMN-LJQANCHMSA-N	1	0	340.427	0.905	40	0		ECABRO
C[NH+](C)Cc1ccnc([C@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1	ZINC000257303823	436865804	/nfs/dbraw/zinc/86/58/04/436865804.db2.gz	SIWMXBUXJSGXIM-CYBMUJFWSA-N	1	0	336.421	0.787	40	0		ECABRO
O=C(CN1CCCC1=O)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000257317677	436871287	/nfs/dbraw/zinc/87/12/87/436871287.db2.gz	VKTAWXSXXXDSNO-IAGOWNOFSA-N	1	0	343.427	0.239	40	0		ECABRO
Cc1ncc(C[NH+](C)C)c([C@H]2CCCN2CC(=O)N2CCOCC2)n1	ZINC000257325177	436872390	/nfs/dbraw/zinc/87/23/90/436872390.db2.gz	WRUIKKCICVAHHA-MRXNPFEDSA-N	1	0	347.463	0.842	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C(N)=O)C1	ZINC000257337340	436874183	/nfs/dbraw/zinc/87/41/83/436874183.db2.gz	YSKUVJWBGRSVNT-MRXNPFEDSA-N	1	0	346.431	0.154	40	0		ECABRO
CC(=O)N[C@]12CN(S(=O)(=O)c3ccc(C)cc3)C[C@H]1CC[NH2+]C2	ZINC000257340136	436875586	/nfs/dbraw/zinc/87/55/86/436875586.db2.gz	ZESSQRXGDBPHKB-GDBMZVCRSA-N	1	0	337.445	0.484	40	0		ECABRO
Cc1cc(N2C[C@H]3OCC(=O)N(Cc4ccccc4)[C@@H]3C2)nc(N)[nH+]1	ZINC000257344750	436877421	/nfs/dbraw/zinc/87/74/21/436877421.db2.gz	ZYNYKLZRKOXQFV-HUUCEWRRSA-N	1	0	339.399	0.983	40	0		ECABRO
CC[NH+](CC)CC[C@@H]1CN(S(=O)(=O)N(C)C)Cc2cncn21	ZINC000306127033	437165790	/nfs/dbraw/zinc/16/57/90/437165790.db2.gz	FLYYESWGNGADPL-CYBMUJFWSA-N	1	0	329.470	0.778	40	0		ECABRO
CCCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291307	439641211	/nfs/dbraw/zinc/64/12/11/439641211.db2.gz	NFQWFYUXEXBUMC-CABCVRRESA-N	1	0	328.434	0.173	40	0		ECABRO
Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CCCNC(N)=O)ccc12	ZINC000006825400	545655411	/nfs/dbraw/zinc/65/54/11/545655411.db2.gz	WHQBHXDILQZJPU-GFCCVEGCSA-N	1	0	332.360	0.816	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)Nc4cnccn4)[C@@H]3C2)cn1	ZINC000097953306	219064389	/nfs/dbraw/zinc/06/43/89/219064389.db2.gz	AIDBGNIQKCXSAI-RBSFLKMASA-N	1	0	342.403	0.543	40	0		ECABRO
O[C@@H]1CN(Cc2ccccc2F)CC[C@H]1[NH2+]CCN1CCOCC1	ZINC000022913526	212332489	/nfs/dbraw/zinc/33/24/89/212332489.db2.gz	QKVYQARBKGSYCV-QZTJIDSGSA-N	1	0	337.439	0.683	40	0		ECABRO
CN1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]CC3CCCCC3)[C@@H]2O)CC1	ZINC000020463865	212134236	/nfs/dbraw/zinc/13/42/36/212134236.db2.gz	IJQKPKYVKUQBPF-HSFUPAIVSA-N	1	0	339.480	0.257	40	0	biogenic,in-vitro	ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)/C=C/c3ccccc3)C2)CC1	ZINC000257199753	244113512	/nfs/dbraw/zinc/11/35/12/244113512.db2.gz	AARQCVOHDHVJNE-IHHMQQGQSA-N	1	0	329.444	0.911	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ccncn3)CC2)OC[C@]1(C)O	ZINC000257226820	244204897	/nfs/dbraw/zinc/20/48/97/244204897.db2.gz	FMIFPWMQJWMHBS-HOCLYGCPSA-N	1	0	334.420	0.553	40	0		ECABRO
COc1cc(C(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)nc(OC)n1	ZINC000257232918	244221320	/nfs/dbraw/zinc/22/13/20/244221320.db2.gz	GMYUQPYUTTUDBH-INIZCTEOSA-N	1	0	336.392	0.167	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2cccs2)C[C@H]1O)c1cnco1	ZINC000257260421	244346740	/nfs/dbraw/zinc/34/67/40/244346740.db2.gz	LCTHJRFBAZERON-UKRRQHHQSA-N	1	0	337.401	0.464	40	0		ECABRO
Cc1nn(C)c(C)c1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257263040	244352226	/nfs/dbraw/zinc/35/22/26/244352226.db2.gz	LOCVXDVJVQZYOU-HNNXBMFYSA-N	1	0	349.479	0.435	40	0		ECABRO
CC(=O)N1CC[N@H+](CCCOc2ccccc2F)C[C@@H](C(N)=O)C1	ZINC000257272934	244384350	/nfs/dbraw/zinc/38/43/50/244384350.db2.gz	NELFWYMBLHATDS-CQSZACIVSA-N	1	0	337.395	0.860	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)Cc3ccsc3)CC[C@@H]2O)CC1	ZINC000257275296	244392159	/nfs/dbraw/zinc/39/21/59/244392159.db2.gz	NOSXBLNASJERTF-HOTGVXAUSA-N	1	0	337.489	0.890	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052039	218543416	/nfs/dbraw/zinc/54/34/16/218543416.db2.gz	GMHKFDBQJVURRU-CABCVRRESA-N	1	0	332.466	0.539	40	0		ECABRO
Cc1ccoc1C(=O)N1CCC2(CC1)CN(CC[NH+](C)C)C(=O)CO2	ZINC000096201358	218673488	/nfs/dbraw/zinc/67/34/88/218673488.db2.gz	MLHQISXFVKMRAC-UHFFFAOYSA-N	1	0	349.431	0.983	40	0		ECABRO
O[C@@H]1C[C@H]2CN(Cc3cccnc3)CC3(C[NH+](CC4CC4)C3)N2C1	ZINC000514289850	257845654	/nfs/dbraw/zinc/84/56/54/257845654.db2.gz	PGKWQWZEYZQHKJ-ZWKOTPCHSA-N	1	0	328.460	0.797	40	0	biogenic,in-vitro	ECABRO
COCCN1[C@H]2CC[NH2+]CC[C@@H]2Oc2ccccc2S1(=O)=O	ZINC000096145780	292545928	/nfs/dbraw/zinc/54/59/28/292545928.db2.gz	HIJMQSCJOINUFZ-STQMWFEESA-N	1	0	326.418	0.837	40	0		ECABRO
CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cnn(C)c3)CC2)O1	ZINC000096263055	273956350	/nfs/dbraw/zinc/95/63/50/273956350.db2.gz	AFTGIQNEGVUFMA-CQSZACIVSA-N	1	0	344.419	0.253	40	0		ECABRO
CNC(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000096073122	277231105	/nfs/dbraw/zinc/23/11/05/277231105.db2.gz	PSSIIAMNLFFYOJ-HNNXBMFYSA-N	1	0	336.436	0.615	40	0		ECABRO
CCS(=O)(=O)N1CC[C@H](O)[C@@H]([NH+]2CCC(F)(F)CC2)CC1	ZINC000257217766	280015676	/nfs/dbraw/zinc/01/56/76/280015676.db2.gz	DAMVMXQLFFSXBR-RYUDHWBXSA-N	1	0	326.409	0.893	40	0		ECABRO
Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC1)O2	ZINC000257207440	295369367	/nfs/dbraw/zinc/36/93/67/295369367.db2.gz	BHTCHLCKQRWRHZ-LLVKDONJSA-N	1	0	346.435	0.327	40	0		ECABRO
CC1(C)O[C@@H]2CO[C@H](C[NH2+]C[C@H]3OC[C@@H]4OC(C)(C)O[C@@H]34)[C@H]2O1	ZINC000004963562	435982061	/nfs/dbraw/zinc/98/20/61/435982061.db2.gz	JWWJZLQBXPIMDY-HUXGKSLCSA-N	1	0	329.393	0.414	40	0		ECABRO
Cc1ccc(C)c(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1	ZINC000013675201	436066301	/nfs/dbraw/zinc/06/63/01/436066301.db2.gz	MBDTXMPNSABGSS-UHFFFAOYSA-N	1	0	327.450	0.747	40	0		ECABRO
COCCNC(=O)[C@@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)O1	ZINC000096109923	436513643	/nfs/dbraw/zinc/51/36/43/436513643.db2.gz	BRSXVUJWUPYBAN-HNNXBMFYSA-N	1	0	336.436	0.696	40	0		ECABRO
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1Cc1ccc(Cl)cc1)O3	ZINC000096145965	436515184	/nfs/dbraw/zinc/51/51/84/436515184.db2.gz	MYGYCBISUTXKFU-RDBSUJKOSA-N	1	0	328.821	0.985	40	0		ECABRO
CCCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C)C1	ZINC000096185631	436518561	/nfs/dbraw/zinc/51/85/61/436518561.db2.gz	ZRGLWBLOYRDVCC-RDBSUJKOSA-N	1	0	327.454	0.413	40	0		ECABRO
Cn1ccnc1C(=O)NCc1cnc2n1CC[N@@H+](CC1CC1)CC2	ZINC000096197085	436520965	/nfs/dbraw/zinc/52/09/65/436520965.db2.gz	NSCBHOHTLDDOJP-UHFFFAOYSA-N	1	0	328.420	0.815	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052042	436505918	/nfs/dbraw/zinc/50/59/18/436505918.db2.gz	ZWQPWHMZEXHXOV-ZBFHGGJFSA-N	1	0	344.477	0.682	40	0		ECABRO
Cn1nnc2c1[C@@H](COCc1ccccn1)CN(C(=O)C[NH+](C)C)C2	ZINC000096045500	436506411	/nfs/dbraw/zinc/50/64/11/436506411.db2.gz	CXEWSYBBJJFGEV-CYBMUJFWSA-N	1	0	344.419	0.414	40	0		ECABRO
CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccncc3)O2)CC1	ZINC000096057510	436506857	/nfs/dbraw/zinc/50/68/57/436506857.db2.gz	RWIQAMSIIZUCPV-KZNAEPCWSA-N	1	0	344.459	0.978	40	0		ECABRO
O=C(Cn1cccn1)N1CCO[C@]2(C1)COCC[N@H+](CC1CC1)C2	ZINC000096076649	436510492	/nfs/dbraw/zinc/51/04/92/436510492.db2.gz	GUEZPACMHONESV-QGZVFWFLSA-N	1	0	334.420	0.223	40	0		ECABRO
CS(=O)(=O)NC[C@H]1OC[C@H]2C[N@H+](Cc3nccs3)CC[C@H]21	ZINC000096092272	436512193	/nfs/dbraw/zinc/51/21/93/436512193.db2.gz	LASCCGPSFWFHLO-IJLUTSLNSA-N	1	0	331.463	0.529	40	0		ECABRO
CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCOC2)[C@H]1Cc1cccnc1	ZINC000096200882	436523501	/nfs/dbraw/zinc/52/35/01/436523501.db2.gz	FCTULRPCRBGGHG-XHSDSOJGSA-N	1	0	339.461	0.653	40	0		ECABRO
O=C(c1cnccn1)N1CCOC2(CC[NH+]([C@@H]3CCOC3)CC2)C1	ZINC000107193269	436608767	/nfs/dbraw/zinc/60/87/67/436608767.db2.gz	LATFFDXDCGYMFY-CQSZACIVSA-N	1	0	332.404	0.573	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)[C@H]2CCOC2)C3)CC1	ZINC000248071759	436798898	/nfs/dbraw/zinc/79/88/98/436798898.db2.gz	XPTASCMPKFSURW-AWEZNQCLSA-N	1	0	333.436	0.009	40	0		ECABRO
CC[NH2+][C@H]1CCOC2(CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000257236166	436860053	/nfs/dbraw/zinc/86/00/53/436860053.db2.gz	HBAQACKETRIFSS-ZDUSSCGKSA-N	1	0	342.465	0.732	40	0		ECABRO
COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(C(=O)CNC(C)=O)C2)cc1	ZINC000257284213	436862356	/nfs/dbraw/zinc/86/23/56/436862356.db2.gz	PBTXQRCCDPPNFX-SFHVURJKSA-N	1	0	349.431	0.227	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)Cn3ccnc3C)CC2)OC[C@]1(C)O	ZINC000257288809	436863586	/nfs/dbraw/zinc/86/35/86/436863586.db2.gz	PVUSRSLCNIZPSK-HOCLYGCPSA-N	1	0	336.436	0.312	40	0		ECABRO
[NH3+]CCC(=O)NCC1(O)CCN(c2ccnc3ccncc32)CC1	ZINC000257291864	436863914	/nfs/dbraw/zinc/86/39/14/436863914.db2.gz	QIYBWRGFXXTSSJ-UHFFFAOYSA-N	1	0	329.404	0.426	40	0		ECABRO
C[N@@H+]1CCC[C@@H]2N(C(=O)CNC(=O)c3cncc(O)c3)CCC[C@@]21C	ZINC000257297647	436865262	/nfs/dbraw/zinc/86/52/62/436865262.db2.gz	RIGVLYMQWRIXEK-YJBOKZPZSA-N	1	0	346.431	0.992	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2ccn(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257315563	436870021	/nfs/dbraw/zinc/87/00/21/436870021.db2.gz	VBYCNMBSRPXWMN-CQSZACIVSA-N	1	0	335.452	0.079	40	0		ECABRO
CCCn1cc(Cl)c(C(=O)N2CC[N@H+](C)C[C@H](C(=O)NC)C2)n1	ZINC000257340368	436875192	/nfs/dbraw/zinc/87/51/92/436875192.db2.gz	ZFSCLFOQRAMWCW-NSHDSACASA-N	1	0	341.843	0.696	40	0		ECABRO
Cc1ccc(C[N@H+]2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)s1	ZINC000306127167	437164240	/nfs/dbraw/zinc/16/42/40/437164240.db2.gz	FQHTVEZUQTXDLE-INIZCTEOSA-N	1	0	348.428	0.487	40	0		ECABRO
CC(=O)N1C[C@@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1	ZINC000514288572	438812685	/nfs/dbraw/zinc/81/26/85/438812685.db2.gz	CSWKEGBMWDTUQC-ZWKOTPCHSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
CCCC[N@H+](C)C[C@@H]1OC[C@H](NS(=O)(=O)c2ccsc2)[C@H]1O	ZINC000514289108	438813505	/nfs/dbraw/zinc/81/35/05/438813505.db2.gz	OVNGEJMZBRMZKG-MELADBBJSA-N	1	0	348.490	0.887	40	0	biogenic,in-vitro	ECABRO
CC(C)C[NH2+]C[C@@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@@H]1O	ZINC000585285133	439640330	/nfs/dbraw/zinc/64/03/30/439640330.db2.gz	OECSOQKLLFPPTQ-JKSUJKDBSA-N	1	0	342.461	0.419	40	0		ECABRO
CNC(=O)[C@@H]1CN(c2cc(C)ncn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257240199	536368418	/nfs/dbraw/zinc/36/84/18/536368418.db2.gz	HSNCACCRZLNSEL-AWEZNQCLSA-N	1	0	333.436	0.448	40	0		ECABRO
O=c1[nH]c2cc3c(cc2cc1C[NH2+]CCN1CCOCC1)OCO3	ZINC000023247890	212363178	/nfs/dbraw/zinc/36/31/78/212363178.db2.gz	FBMUTDLXDCFAIZ-UHFFFAOYSA-N	1	0	331.372	0.679	40	0		ECABRO
CCc1nn(CCCN2CC[NH+](CCO)CC2)c(=O)c2ccccc21	ZINC000022862158	212329271	/nfs/dbraw/zinc/32/92/71/212329271.db2.gz	BCQQEVMXKGLYPX-UHFFFAOYSA-N	1	0	344.459	0.959	40	0		ECABRO
CCS(=O)(=O)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC000253494062	244004036	/nfs/dbraw/zinc/00/40/36/244004036.db2.gz	WHKCDYYDWIYUNT-GJZGRUSLSA-N	1	0	325.434	0.706	40	0		ECABRO
C[NH+]1CCC(Cc2cnc(CNC(=O)Cn3ccnc3)cn2)CC1	ZINC000257212207	244153568	/nfs/dbraw/zinc/15/35/68/244153568.db2.gz	CCIVHFROUSYSAG-UHFFFAOYSA-N	1	0	328.420	0.874	40	0		ECABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1	ZINC000257224574	244195725	/nfs/dbraw/zinc/19/57/25/244195725.db2.gz	FCIRCCAJUYFUGI-CQSZACIVSA-N	1	0	325.434	0.126	40	0		ECABRO
Cc1cc2ncc(C(=O)N3CCC[C@@](O)(C[NH+](C)C)CC3)c(N)n2n1	ZINC000257242076	244248377	/nfs/dbraw/zinc/24/83/77/244248377.db2.gz	IAZZJRZGFCQELW-KRWDZBQOSA-N	1	0	346.435	0.539	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1	ZINC000257241852	244244354	/nfs/dbraw/zinc/24/43/54/244244354.db2.gz	HZXDCCNIFCCNTR-CQSZACIVSA-N	1	0	347.463	0.731	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2nccn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257251181	244269619	/nfs/dbraw/zinc/26/96/19/244269619.db2.gz	JPTHHSXWVXSKRU-OAHLLOKOSA-N	1	0	349.479	0.421	40	0		ECABRO
O=C(CN1CCOCC1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257264634	244357579	/nfs/dbraw/zinc/35/75/79/244357579.db2.gz	LVJMMDPQWBDMQV-OAHLLOKOSA-N	1	0	347.406	0.013	40	0		ECABRO
Cc1nc(N)nc(C)c1CCC(=O)N1CCC[C@](O)(C[NH+](C)C)CC1	ZINC000257287989	244427193	/nfs/dbraw/zinc/42/71/93/244427193.db2.gz	PSHKNVURGRSINN-GOSISDBHSA-N	1	0	349.479	0.913	40	0		ECABRO
Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=N[C@H]2c1cccnc1	ZINC000009265098	211060000	/nfs/dbraw/zinc/06/00/00/211060000.db2.gz	YQAJJUMKNYTPCX-OAHLLOKOSA-N	1	0	339.403	0.523	40	0		ECABRO
CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]CC1CCOCC1)OCC2	ZINC000096059736	218552637	/nfs/dbraw/zinc/55/26/37/218552637.db2.gz	KUQHTFIYKAIASA-HNNXBMFYSA-N	1	0	336.436	0.601	40	0		ECABRO
Cc1cccc(CN2CC[N@@H+]3C[C@H](OCC(=O)N(C)C)C[C@H]3C2)n1	ZINC000096183266	218645808	/nfs/dbraw/zinc/64/58/08/218645808.db2.gz	HZDNZVHFJYUJMF-DLBZAZTESA-N	1	0	332.448	0.753	40	0		ECABRO
OCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccccn2)n1	ZINC000329021292	257904763	/nfs/dbraw/zinc/90/47/63/257904763.db2.gz	OFQXWMHCPCBMAV-UHFFFAOYSA-N	1	0	342.447	0.588	40	0		ECABRO
O=c1ccn([C@H]2C[C@@H](C[NH2+]Cc3ccccc3)[C@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000257314073	275044200	/nfs/dbraw/zinc/04/42/00/275044200.db2.gz	UVERJHHJOIAHKY-DARAHFNDSA-N	1	0	331.372	0.022	40	0		ECABRO
C[NH+](C)CCN1CC[C@]2(CCCN(S(=O)(=O)C3CC3)C2)C1=O	ZINC000096223882	289156003	/nfs/dbraw/zinc/15/60/03/289156003.db2.gz	CXGKNYAOLGRHHM-HNNXBMFYSA-N	1	0	329.466	0.355	40	0		ECABRO
CCOc1cc(C[NH2+]CCO)cc(Br)c1OCC(N)=O	ZINC000008253726	436023588	/nfs/dbraw/zinc/02/35/88/436023588.db2.gz	OBMBBHZNXHWEGQ-UHFFFAOYSA-N	1	0	347.209	0.794	40	0		ECABRO
COC(=O)c1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[NH2+]Cc2ccccc2)nn1	ZINC000006137880	435996554	/nfs/dbraw/zinc/99/65/54/435996554.db2.gz	LDPKPJNVADTJCW-CAOSSQGBSA-N	1	0	344.371	0.562	40	0	biogenic,in-vitro	ECABRO
CNc1cc(C[NH2+]C)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000019760778	436107763	/nfs/dbraw/zinc/10/77/63/436107763.db2.gz	GZTPRIHPRNWGQZ-LLVKDONJSA-N	1	0	328.442	0.181	40	0		ECABRO
OCCN1CC[NH+](C[C@H](O)COCCOc2ccc(F)cc2)CC1	ZINC000041690327	436280582	/nfs/dbraw/zinc/28/05/82/436280582.db2.gz	AMEPMHHNOXGZHP-INIZCTEOSA-N	1	0	342.411	0.192	40	0		ECABRO
Cn1ccnc1C(=O)NCc1cnc2n1CC[N@H+]([C@H]1CCOC1)CC2	ZINC000096197087	436521149	/nfs/dbraw/zinc/52/11/49/436521149.db2.gz	UWGJDFFXFHWKLD-ZDUSSCGKSA-N	1	0	344.419	0.194	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H](C(=O)N3CCOCC3)C3(C2)CCOCC3)cn1	ZINC000096052211	436506120	/nfs/dbraw/zinc/50/61/20/436506120.db2.gz	QDZPUIQJLMDVEU-MRXNPFEDSA-N	1	0	348.447	0.508	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1	ZINC000096224463	436525291	/nfs/dbraw/zinc/52/52/91/436525291.db2.gz	GOJZLAVEOFVYED-GOSISDBHSA-N	1	0	330.432	0.984	40	0		ECABRO
OCC[N@@H+]1CCOC[C@@]2(C[C@H](CNc3ncccc3F)CO2)C1	ZINC000096240680	436526621	/nfs/dbraw/zinc/52/66/21/436526621.db2.gz	XZUUDMUKLDTOSQ-CZUORRHYSA-N	1	0	325.384	0.732	40	0		ECABRO
O=C(c1cccnc1)N1C[C@@H]2CN(CC[NH+]3CCCC3)C(=O)[C@@H]2C1	ZINC000096245057	436527385	/nfs/dbraw/zinc/52/73/85/436527385.db2.gz	OISCCRFDTQAYOH-JKSUJKDBSA-N	1	0	328.416	0.708	40	0		ECABRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)NCc3cccnc3)CC[C@@H]2C1	ZINC000096249613	436528663	/nfs/dbraw/zinc/52/86/63/436528663.db2.gz	ZNOXAYYYIUADPB-IAGOWNOFSA-N	1	0	348.447	0.960	40	0		ECABRO
O=C(c1cnccn1)N1CCO[C@H]2CCN(Cc3cccnc3)C[C@@H]21	ZINC000108536031	436618556	/nfs/dbraw/zinc/61/85/56/436618556.db2.gz	JZVXLBLJFFJUGV-IRXDYDNUSA-N	1	0	339.399	0.987	40	0		ECABRO
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@](O)(C[NH+](C)C)CC1	ZINC000257289478	436863904	/nfs/dbraw/zinc/86/39/04/436863904.db2.gz	PYUSJENAJSANLF-CQSZACIVSA-N	1	0	330.454	0.494	40	0		ECABRO
CNc1nc([C@H]2CCCCN2S(C)(=O)=O)nc2c1CC[NH2+]C2	ZINC000257322271	436869469	/nfs/dbraw/zinc/86/94/69/436869469.db2.gz	WFGXUGLWAQHXAG-GFCCVEGCSA-N	1	0	325.438	0.651	40	0		ECABRO
O=C(c1ccc(-n2ccnc2)nc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257315354	436871353	/nfs/dbraw/zinc/87/13/53/436871353.db2.gz	VAYPJKXCEAJTIW-HUUCEWRRSA-N	1	0	327.388	0.548	40	0		ECABRO
CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3cccnc3)C2)C1	ZINC000514288532	438812635	/nfs/dbraw/zinc/81/26/35/438812635.db2.gz	CBRQRDPAGFIHSZ-IAGOWNOFSA-N	1	0	344.459	0.569	40	0	biogenic,in-vitro	ECABRO
COCCc1nccc(C[C@H]2[C@H]([NH2+]CC3CC3)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382675	439311931	/nfs/dbraw/zinc/31/19/31/439311931.db2.gz	YPYPYLAUNVSHIX-QBPKDAKJSA-N	1	0	335.448	0.566	40	0	biogenic,in-vitro	ECABRO
Cc1snnc1C(=O)N1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C	ZINC000585108411	439630908	/nfs/dbraw/zinc/63/09/08/439630908.db2.gz	FFPBHGFPHCSWJY-VXGBXAGGSA-N	1	0	337.449	0.614	40	0		ECABRO
C[C@H]1[C@H](O)[C@H](O)[C@@H](CO)N1Cc1cnn(-c2ccc(Cl)cc2)c1	ZINC000585294771	439641944	/nfs/dbraw/zinc/64/19/44/439641944.db2.gz	KAEUDMAUVWOINI-PHKINGBFSA-N	1	0	337.807	0.813	40	0		ECABRO
CO[C@@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/C[NH+](C)C)C1	ZINC000585290484	439642384	/nfs/dbraw/zinc/64/23/84/439642384.db2.gz	WUSQNVOIUZDCKP-DBWMJRBXSA-N	1	0	325.453	0.980	40	0		ECABRO
C[N@@H+]1C[C@@H](COCC2CC2)CC12CN(C(=O)c1cc(=O)[nH]cn1)C2	ZINC000585093729	439627469	/nfs/dbraw/zinc/62/74/69/439627469.db2.gz	ARSZOWYSLWNEKC-ZDUSSCGKSA-N	1	0	332.404	0.755	40	0		ECABRO
Cc1cncc(OC[C@@H]2Cc3c(ncn3C)CN2C(=O)C[NH+](C)C)n1	ZINC000585094560	439628050	/nfs/dbraw/zinc/62/80/50/439628050.db2.gz	BBTNJYGGEKXJMA-ZDUSSCGKSA-N	1	0	344.419	0.412	40	0		ECABRO
C[NH2+][C@@H]1CO[C@@H]2CCN(C(=O)CCn3ccnc3)C[C@@H]2C[C@@]1(C)O	ZINC000257267954	536378308	/nfs/dbraw/zinc/37/83/08/536378308.db2.gz	MJPUUWXGTVJOBZ-KLZNWCGWSA-N	1	0	336.436	0.250	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)Cc2c(C)nc3ccccn32)CC[N@H+](C)C1	ZINC000257224199	536398955	/nfs/dbraw/zinc/39/89/55/536398955.db2.gz	FASFJVIRZUQIDG-AWEZNQCLSA-N	1	0	343.431	0.321	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)/C=C/c3cccnc3)C2)CC1	ZINC000257253129	536413875	/nfs/dbraw/zinc/41/38/75/536413875.db2.gz	JXRUZCSMNPIZHB-WRFKIARRSA-N	1	0	330.432	0.306	40	0		ECABRO
Cn1ccnc1C[NH2+]C[C@@]1(COc2cccnc2)C[C@@H](O)[C@@H](O)C1	ZINC000107430345	219779648	/nfs/dbraw/zinc/77/96/48/219779648.db2.gz	FCCXWWMNXZXMHE-SCAQPMJSSA-N	1	0	332.404	0.486	40	0	biogenic,in-vitro	ECABRO
CN(C)c1cc(C[C@H]2CN(c3ncccn3)CC[N@H+](C)C2)ncn1	ZINC000072378185	216179869	/nfs/dbraw/zinc/17/98/69/216179869.db2.gz	OWIMCJGMZJEMJC-CQSZACIVSA-N	1	0	327.436	0.943	40	0		ECABRO
Cc1cc(N(C)C)cc([C@H]2CN(S(=O)(=O)N(C)C)CCO2)[nH+]1	ZINC000257204359	244131204	/nfs/dbraw/zinc/13/12/04/244131204.db2.gz	AUDWJJFJHXPKRY-CQSZACIVSA-N	1	0	328.438	0.636	40	0		ECABRO
CN(CC1(O)CCN(c2ccnc3ccncc32)CC1)C(=O)CC[NH3+]	ZINC000257236902	244233020	/nfs/dbraw/zinc/23/30/20/244233020.db2.gz	HEHBHYBGMVATBC-UHFFFAOYSA-N	1	0	343.431	0.768	40	0		ECABRO
CN(C(=O)CCCn1cncn1)[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257258340	244289807	/nfs/dbraw/zinc/28/98/07/244289807.db2.gz	KTKMRDFXVZTWRE-BFYDXBDKSA-N	1	0	335.452	0.895	40	0		ECABRO
CC(=O)NCCNC(=O)c1ccccc1-n1cc(C[NH+](C)C)cn1	ZINC000257258853	244290753	/nfs/dbraw/zinc/29/07/53/244290753.db2.gz	KVUFMXZUQBOCEM-UHFFFAOYSA-N	1	0	329.404	0.800	40	0		ECABRO
Cc1cccnc1C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnco2)[C@H](O)C1	ZINC000257262998	244354046	/nfs/dbraw/zinc/35/40/46/244354046.db2.gz	LNXYKELKBBHQHT-NVXWUHKLSA-N	1	0	346.387	0.106	40	0		ECABRO
O=c1[nH]c2cc3c(cc2cc1C[NH2+]C[C@H]1COCCO1)OCCO3	ZINC000019292527	212013530	/nfs/dbraw/zinc/01/35/30/212013530.db2.gz	DWMGRRKCELBBRJ-ZDUSSCGKSA-N	1	0	332.356	0.804	40	0		ECABRO
O=C(c1ccnnc1)N1CCOC[C@@]2(CC[C@H](C[NH+]3CCCC3)O2)C1	ZINC000096160281	296275517	/nfs/dbraw/zinc/27/55/17/296275517.db2.gz	QTKKXSGBEKJXKG-SJLPKXTDSA-N	1	0	346.431	0.963	40	0		ECABRO
O=C([C@@H]1CCOC1)N1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096224262	304353933	/nfs/dbraw/zinc/35/39/33/304353933.db2.gz	ZFAHRDOLYBLJPI-APWZRJJASA-N	1	0	349.475	0.960	40	0		ECABRO
C[N@@H+]1C[C@@H](C(=O)N2CCOCC2)[C@]2(C1)CCc1ccccc1C(=O)N2	ZINC000019587073	290263109	/nfs/dbraw/zinc/26/31/09/290263109.db2.gz	TZWFMQFXJIDXJQ-QFBILLFUSA-N	1	0	343.427	0.522	40	0		ECABRO
Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@@H]3CCCC[NH2+]3)CC1)O2	ZINC000257219650	295369352	/nfs/dbraw/zinc/36/93/52/295369352.db2.gz	DHOTUABHRIYVDX-NSHDSACASA-N	1	0	346.435	0.469	40	0		ECABRO
COc1cc(C[NH2+]C[C@H](C)O)cc(Br)c1OCC(N)=O	ZINC000008497868	436028902	/nfs/dbraw/zinc/02/89/02/436028902.db2.gz	NWZSEIDBLYABCY-QMMMGPOBSA-N	1	0	347.209	0.792	40	0		ECABRO
CC(C)NC(=O)C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1O	ZINC000008624287	436030938	/nfs/dbraw/zinc/03/09/38/436030938.db2.gz	SLXKACSBWGSJOW-HDEZJCGLSA-N	1	0	340.395	0.319	40	0	biogenic,in-vitro	ECABRO
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]C(C)C)[C@@H]2O)cc1	ZINC000077264696	436229363	/nfs/dbraw/zinc/22/93/63/436229363.db2.gz	RVEKRCSHYLZODM-KFWWJZLASA-N	1	0	328.434	0.400	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)c1cccs1	ZINC000077265373	436231396	/nfs/dbraw/zinc/23/13/96/436231396.db2.gz	KNMXJWBOUFWCGF-NFAWXSAZSA-N	1	0	333.413	0.791	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCO[C@H]1CN(S(=O)(=O)c2cccs2)[C@@H]2COC[C@H]12	ZINC000096184992	436518780	/nfs/dbraw/zinc/51/87/80/436518780.db2.gz	VVLYEIKVXNHJMP-XQQFMLRXSA-N	1	0	346.474	0.714	40	0		ECABRO
O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1CCN1CCOCC1	ZINC000096186318	436519437	/nfs/dbraw/zinc/51/94/37/436519437.db2.gz	BHYQEPSLJNAYOI-ROUUACIJSA-N	1	0	344.459	0.979	40	0		ECABRO
Cc1ccc(C[N@H+]2CCc3ncc(CNS(C)(=O)=O)n3CC2)o1	ZINC000096197020	436521389	/nfs/dbraw/zinc/52/13/89/436521389.db2.gz	PUFQMHZXYLOAJE-UHFFFAOYSA-N	1	0	338.433	0.892	40	0		ECABRO
CS(=O)(=O)NCc1cnc2n1CC[N@@H+](Cc1ccccn1)CC2	ZINC000096197021	436521472	/nfs/dbraw/zinc/52/14/72/436521472.db2.gz	IILDCSHDQRLJLZ-UHFFFAOYSA-N	1	0	335.433	0.386	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2ccncc2)C1	ZINC000096188842	436521829	/nfs/dbraw/zinc/52/18/29/436521829.db2.gz	VFLFQZMYSFSILE-INIZCTEOSA-N	1	0	342.447	0.588	40	0		ECABRO
O=C([C@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccncc2)C1)N1CCOCC1	ZINC000096041214	436504703	/nfs/dbraw/zinc/50/47/03/436504703.db2.gz	NVEQPSPVGJRPJC-GVDBMIGSSA-N	1	0	331.416	0.920	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NCc3cccnc3)C2)cn1	ZINC000096205991	436522805	/nfs/dbraw/zinc/52/28/05/436522805.db2.gz	NIOJYGIZGSXPHZ-SJLPKXTDSA-N	1	0	341.415	0.580	40	0		ECABRO
C[NH+](C)CCN1CCOC[C@@]2(CN(C(=O)c3cccnc3)CCO2)C1	ZINC000096229389	436527430	/nfs/dbraw/zinc/52/74/30/436527430.db2.gz	BZWYQTQMRXXZGH-SFHVURJKSA-N	1	0	348.447	0.187	40	0		ECABRO
CNS(=O)(=O)c1ccc(CCC(=O)NC2CC[NH+](C)CC2)cc1	ZINC000061031646	436635449	/nfs/dbraw/zinc/63/54/49/436635449.db2.gz	PVEJPDCJVCOLPU-UHFFFAOYSA-N	1	0	339.461	0.738	40	0		ECABRO
CCCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](C3CCCCC3)C2)C1=O	ZINC000225380317	436710286	/nfs/dbraw/zinc/71/02/86/436710286.db2.gz	LDOUEAXDAMOVDP-CVEARBPZSA-N	1	0	349.475	0.978	40	0	biogenic,in-vitro	ECABRO
O=C(c1cncnc1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257248911	436859395	/nfs/dbraw/zinc/85/93/95/436859395.db2.gz	JFTYZIHENQUKAF-AWEZNQCLSA-N	1	0	326.347	0.785	40	0		ECABRO
C[NH+](C)Cc1ccnc([C@@H]2CCCN2S(=O)(=O)c2cn[nH]c2)n1	ZINC000257303824	436865577	/nfs/dbraw/zinc/86/55/77/436865577.db2.gz	SIWMXBUXJSGXIM-ZDUSSCGKSA-N	1	0	336.421	0.787	40	0		ECABRO
Cn1nccc1C(=O)N[C@@H]1C[C@@H](Oc2ccccc2)[C@H](O)[C@H]1[NH+](C)C	ZINC000257339531	436873966	/nfs/dbraw/zinc/87/39/66/436873966.db2.gz	ZCCRYZXHFMFOFU-SIXLDLHFSA-N	1	0	344.415	0.661	40	0		ECABRO
C[NH2+]CCOc1cccc(C(=O)N2CC[C@H]3OCC(=O)N(C)[C@H]3C2)c1	ZINC000257340232	436875414	/nfs/dbraw/zinc/87/54/14/436875414.db2.gz	ZFDNYUVFSFEXSF-JKSUJKDBSA-N	1	0	347.415	0.357	40	0		ECABRO
Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)cc1C	ZINC000575420600	438748568	/nfs/dbraw/zinc/74/85/68/438748568.db2.gz	DHQPXZADQJGJCO-ZDUSSCGKSA-N	1	0	346.474	0.358	40	0		ECABRO
OCCC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1	ZINC000514289006	438813150	/nfs/dbraw/zinc/81/31/50/438813150.db2.gz	HZRFZTKBQTXGRH-ZWKOTPCHSA-N	1	0	331.460	0.374	40	0	biogenic,in-vitro	ECABRO
COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](CC(C)(C)C)C2)C1	ZINC000604381254	439312764	/nfs/dbraw/zinc/31/27/64/439312764.db2.gz	GJELJAWJHRDICI-CQSZACIVSA-N	1	0	325.453	0.276	40	0	biogenic,in-vitro	ECABRO
CO[C@@H]1CC[N@H+](Cc2ccnc(C)n2)C[C@H]1CC(=O)N1CCOCC1	ZINC000585275947	439636756	/nfs/dbraw/zinc/63/67/56/439636756.db2.gz	GYAZPDHWODCTOF-NVXWUHKLSA-N	1	0	348.447	0.871	40	0		ECABRO
C[N@H+](CCO)C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O	ZINC000585285619	439639999	/nfs/dbraw/zinc/63/99/99/439639999.db2.gz	LJWKTERWAKYGKK-ZBFHGGJFSA-N	1	0	342.823	0.202	40	0		ECABRO
CO[C@@H]1COC[C@@H](CNC(=O)CC2=CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1O	ZINC000585285950	439640192	/nfs/dbraw/zinc/64/01/92/439640192.db2.gz	USJHHPFFXXJULX-FMKPAKJESA-N	1	0	340.464	0.992	40	0		ECABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCC[C@]3(C)NC(=O)CCC[C@H]23)CC1	ZINC000585282768	439640648	/nfs/dbraw/zinc/64/06/48/439640648.db2.gz	HSUSVRCRPJJCSL-RDJZCZTQSA-N	1	0	337.464	0.883	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)C=Cc3c[nH]cn3)CC2)OC[C@]1(C)O	ZINC000585291527	439641525	/nfs/dbraw/zinc/64/15/25/439641525.db2.gz	PTQPAOAYAWVOJR-SBXOADHZSA-N	1	0	348.447	0.886	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCn2ncc3ccccc32)CC[N@H+](C)C1	ZINC000257248557	536398729	/nfs/dbraw/zinc/39/87/29/536398729.db2.gz	JEFDRVZLXJNQTC-HNNXBMFYSA-N	1	0	343.431	0.563	40	0		ECABRO
Cn1c(=O)oc2ccc(C(=O)N3CC[C@@](O)(C[NH+]4CCCC4)C3)cc21	ZINC000257217858	244174120	/nfs/dbraw/zinc/17/41/20/244174120.db2.gz	DAXJOBIIBUVJPR-GOSISDBHSA-N	1	0	345.399	0.804	40	0		ECABRO
Cc1cc(N2CC[C@@](O)(CNC(=O)C[NH+]3CCCCC3)C2)ncn1	ZINC000257243982	244250722	/nfs/dbraw/zinc/25/07/22/244250722.db2.gz	IJKFSWFYAPLTLK-QGZVFWFLSA-N	1	0	333.436	0.328	40	0		ECABRO
Cc1nn(C)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257278261	244396931	/nfs/dbraw/zinc/39/69/31/244396931.db2.gz	OBNLFYVJXDVYIS-UMVBOHGHSA-N	1	0	342.465	0.385	40	0		ECABRO
O=C(CCn1nnc2ccccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257337318	244566201	/nfs/dbraw/zinc/56/62/01/244566201.db2.gz	YSHYXWJJCIMCGX-SFHVURJKSA-N	1	0	343.431	0.881	40	0		ECABRO
C[NH+](C)CCO[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)[C@@H]2COC[C@H]12	ZINC000096185000	218648536	/nfs/dbraw/zinc/64/85/36/218648536.db2.gz	HONBBLYHCXFBPB-VBQJREDUSA-N	1	0	348.399	0.833	40	0		ECABRO
O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](C[C@@H]1CCCO1)CC2	ZINC000019403833	285194592	/nfs/dbraw/zinc/19/45/92/285194592.db2.gz	XZFIWNBPBNRVQE-LBPRGKRZSA-N	1	0	327.388	0.807	40	0		ECABRO
Cc1ccc(C(=O)NCCC[NH+](C)C)c(N2CCN(CCO)CC2)n1	ZINC000057744957	132201474	/nfs/dbraw/zinc/20/14/74/132201474.db2.gz	SDAZAPQVAAXIMZ-UHFFFAOYSA-N	1	0	349.479	0.186	40	0		ECABRO
O=c1cccnn1C[C@@H]1Cn2ccnc2C[N@H+](C[C@H]2CCOC2)C1	ZINC000107210243	275044054	/nfs/dbraw/zinc/04/40/54/275044054.db2.gz	UTYLUWCPPIVAMI-CABCVRRESA-N	1	0	329.404	0.608	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)C2CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257260718	277245114	/nfs/dbraw/zinc/24/51/14/277245114.db2.gz	LEAMSFLFTYHWFF-HNNXBMFYSA-N	1	0	337.464	0.862	40	0		ECABRO
C[NH+](C)CCCNC(=O)CN(Cc1ccccc1F)S(C)(=O)=O	ZINC000224698423	289115991	/nfs/dbraw/zinc/11/59/91/289115991.db2.gz	UZLKAUFQVYKFAD-UHFFFAOYSA-N	1	0	345.440	0.655	40	0		ECABRO
O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]CC1CCCCC1	ZINC000012483998	436052518	/nfs/dbraw/zinc/05/25/18/436052518.db2.gz	FYQKKJZLMPHCQA-OVYGPGRDSA-N	1	0	326.437	0.342	40	0	biogenic,in-vitro	ECABRO
CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCCN(C(C)=O)C1)C2=O	ZINC000019699981	436106965	/nfs/dbraw/zinc/10/69/65/436106965.db2.gz	IKFVKFHPFHRLLF-AWEZNQCLSA-N	1	0	336.436	0.794	40	0		ECABRO
CC[NH+]1CCN(c2nc(CSc3nncn3C)cc(=O)[nH]2)CC1	ZINC000020414472	436111848	/nfs/dbraw/zinc/11/18/48/436111848.db2.gz	YPHUFOMXEWCMHA-UHFFFAOYSA-N	1	0	335.437	0.333	40	0		ECABRO
C[NH+](C)CC(=O)N1C[C@@H]2COC[C@]2(COCC2CCOCC2)C1	ZINC000096108790	436513677	/nfs/dbraw/zinc/51/36/77/436513677.db2.gz	PZTBISZBWAVFMH-NVXWUHKLSA-N	1	0	326.437	0.466	40	0		ECABRO
O=C(c1ccnnc1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC000096183420	436520218	/nfs/dbraw/zinc/52/02/18/436520218.db2.gz	HBSVSMUUBCFTPB-DLBZAZTESA-N	1	0	339.399	0.987	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cccnc2)c1	ZINC000096200846	436523249	/nfs/dbraw/zinc/52/32/49/436523249.db2.gz	INJOLXKAEIXMMA-CABCVRRESA-N	1	0	349.460	0.751	40	0		ECABRO
O=C([C@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCOCC1	ZINC000096040718	436504095	/nfs/dbraw/zinc/50/40/95/436504095.db2.gz	USJYORVRESQPED-OIISXLGYSA-N	1	0	331.416	0.635	40	0		ECABRO
Cn1nnc2c1[C@H](COCc1ccccn1)CN(C(=O)C[NH+](C)C)C2	ZINC000096045501	436506498	/nfs/dbraw/zinc/50/64/98/436506498.db2.gz	CXEWSYBBJJFGEV-ZDUSSCGKSA-N	1	0	344.419	0.414	40	0		ECABRO
O=C(c1cnccn1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096054387	436506533	/nfs/dbraw/zinc/50/65/33/436506533.db2.gz	GMTCHPUKZRTDNE-CVEARBPZSA-N	1	0	331.420	0.098	40	0		ECABRO
CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccc[nH]1)CC2	ZINC000096077139	436510296	/nfs/dbraw/zinc/51/02/96/436510296.db2.gz	LBBJFGBQZPFBSH-UHFFFAOYSA-N	1	0	347.463	0.325	40	0		ECABRO
C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]21	ZINC000096082190	436510577	/nfs/dbraw/zinc/51/05/77/436510577.db2.gz	ZSOCNNLVGHORTI-IRXDYDNUSA-N	1	0	332.448	0.949	40	0		ECABRO
Cc1occc1C(=O)N1CCC2(CC1)CN(CC[NH+](C)C)C(=O)CO2	ZINC000096201357	436523870	/nfs/dbraw/zinc/52/38/70/436523870.db2.gz	BLBALCUDGRTCNL-UHFFFAOYSA-N	1	0	349.431	0.983	40	0		ECABRO
CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](Cc3cccn3C)C2)C1=O	ZINC000096224169	436525348	/nfs/dbraw/zinc/52/53/48/436525348.db2.gz	LSRUFXTWQMFJSJ-GOSISDBHSA-N	1	0	332.448	0.928	40	0		ECABRO
COCCN1CCN(C)C2(CC[NH+](Cc3ccncc3)CC2)C1=O	ZINC000096230066	436526052	/nfs/dbraw/zinc/52/60/52/436526052.db2.gz	UBVZYYNTEXFBSH-UHFFFAOYSA-N	1	0	332.448	0.837	40	0		ECABRO
CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccs3)C[C@@H]2N1C	ZINC000107196864	436608470	/nfs/dbraw/zinc/60/84/70/436608470.db2.gz	SXQCGOGHEDXRPM-MXWKQRLJSA-N	1	0	329.447	0.187	40	0		ECABRO
O=C(c1cnccn1)N1CCOC2(CC[NH+]([C@H]3CCOC3)CC2)C1	ZINC000107193266	436608732	/nfs/dbraw/zinc/60/87/32/436608732.db2.gz	LATFFDXDCGYMFY-AWEZNQCLSA-N	1	0	332.404	0.573	40	0		ECABRO
Cc1nc(CN2CC[C@@H]3OCCN(S(=O)(=O)C4CC4)[C@H]3C2)c[nH]1	ZINC000108524528	436618976	/nfs/dbraw/zinc/61/89/76/436618976.db2.gz	WCWCVWSBOWJDKO-GJZGRUSLSA-N	1	0	340.449	0.485	40	0		ECABRO
CS(=O)(=O)N1CCO[C@H]2CC[N@H+](Cc3cccnc3)CC[C@H]21	ZINC000247510502	436794211	/nfs/dbraw/zinc/79/42/11/436794211.db2.gz	IFXZPSOLIOEHGS-CABCVRRESA-N	1	0	325.434	0.706	40	0		ECABRO
O=C(N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O)C1CCOCC1	ZINC000257223472	436859612	/nfs/dbraw/zinc/85/96/12/436859612.db2.gz	DXNAILUWQGGMBA-BZUAXINKSA-N	1	0	326.437	0.534	40	0		ECABRO
CC(=O)N[C@H]1CC2(CC[NH+](Cc3cn(C)cn3)CC2)OC[C@]1(C)O	ZINC000257280617	436861744	/nfs/dbraw/zinc/86/17/44/436861744.db2.gz	OLOXYLWOBJMYMQ-HOTGVXAUSA-N	1	0	336.436	0.431	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2cccc(OCCO)c2)CC[N@H+](C)C1	ZINC000257301831	436866038	/nfs/dbraw/zinc/86/60/38/436866038.db2.gz	SACZWFULWZCIJD-INIZCTEOSA-N	1	0	335.448	0.510	40	0		ECABRO
Cc1cc(N2CCOC[C@@H](Cc3cccc(C(N)=O)n3)C2)nc(N)[nH+]1	ZINC000257299461	436866469	/nfs/dbraw/zinc/86/64/69/436866469.db2.gz	RQDDXRXIQOWRFZ-LBPRGKRZSA-N	1	0	342.403	0.557	40	0		ECABRO
CC(C)n1ccnc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257302900	436867050	/nfs/dbraw/zinc/86/70/50/436867050.db2.gz	SEWVUFDXFIWACS-OAHLLOKOSA-N	1	0	349.479	0.862	40	0		ECABRO
CCCS(=O)(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257307784	436868839	/nfs/dbraw/zinc/86/88/39/436868839.db2.gz	TUCRGGVGGQKFNB-GFCCVEGCSA-N	1	0	326.409	0.894	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)CC[N@H+](C)C1	ZINC000257318821	436869505	/nfs/dbraw/zinc/86/95/05/436869505.db2.gz	VPNBSLGIXPGFSE-QGZVFWFLSA-N	1	0	329.444	0.854	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3cccnc3)C[C@H]1C2	ZINC000306133919	437168171	/nfs/dbraw/zinc/16/81/71/437168171.db2.gz	MZDYBZHJDJCCFF-ZIAGYGMSSA-N	1	0	338.415	0.870	40	0		ECABRO
O[C@@H]1C[C@@H]2CN(Cc3cccnc3)CC3(CN(C4CCC4)C3)[N@@H+]2C1	ZINC000514289833	438812216	/nfs/dbraw/zinc/81/22/16/438812216.db2.gz	PBTSIJJSBRGSOP-QZTJIDSGSA-N	1	0	328.460	0.939	40	0	biogenic,in-vitro	ECABRO
O=C(c1cccnc1)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C3CCC3)C2)C1	ZINC000514289465	438812956	/nfs/dbraw/zinc/81/29/56/438812956.db2.gz	LMDFCZMRPQNXPL-DLBZAZTESA-N	1	0	342.443	0.580	40	0	biogenic,in-vitro	ECABRO
OCCC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(CCc3ccccc3)C2)C1	ZINC000514290334	438814091	/nfs/dbraw/zinc/81/40/91/438814091.db2.gz	XLYWOOZQUNOQJD-RTBURBONSA-N	1	0	345.487	0.417	40	0	biogenic,in-vitro	ECABRO
OC[C@]1(Cc2cccc(F)c2)C[N@H+](CC2(O)CCOCC2)CCO1	ZINC000585277135	439637047	/nfs/dbraw/zinc/63/70/47/439637047.db2.gz	KJJHTCQZDANIBC-SFHVURJKSA-N	1	0	339.407	0.973	40	0		ECABRO
C[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C(=O)N2CCNC(=O)C2)[C@@H]1O	ZINC000585280215	439638950	/nfs/dbraw/zinc/63/89/50/439638950.db2.gz	CQQYQQJEZKHZRW-INMHGKMJSA-N	1	0	331.416	0.216	40	0		ECABRO
CC(=O)NCCNC(=O)[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2)[C@H]1O	ZINC000585280121	439639244	/nfs/dbraw/zinc/63/92/44/439639244.db2.gz	AMJYCHJOIQNDHQ-ZACQAIPSSA-N	1	0	333.432	0.510	40	0		ECABRO
CC[NH+](CC)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291112	439641011	/nfs/dbraw/zinc/64/10/11/439641011.db2.gz	KQSZRGPXNZYZRL-CABCVRRESA-N	1	0	328.434	0.125	40	0		ECABRO
CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)c3ccccn3)C2)ncn1	ZINC000072355134	216164254	/nfs/dbraw/zinc/16/42/54/216164254.db2.gz	MKKMRYRQPDSAHC-CQSZACIVSA-N	1	0	340.431	0.842	40	0		ECABRO
CC1(C)O[C@H]2O[C@H](CN3CC[NH2+][C@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115793	212278027	/nfs/dbraw/zinc/27/80/27/212278027.db2.gz	BSMLOGYQCJGNEB-DMRKSPOLSA-N	1	0	334.416	0.870	40	0		ECABRO
COc1ccc(C2(C(=O)N3CC[N@H+](C)C[C@H](C(N)=O)C3)CC2)cc1	ZINC000257231730	244218013	/nfs/dbraw/zinc/21/80/13/244218013.db2.gz	GHYWZOFHKFYSSZ-ZDUSSCGKSA-N	1	0	331.416	0.602	40	0		ECABRO
CS(=O)(=O)N1CC[N@H+](CCc2ccc(F)cc2)C[C@@H](C(N)=O)C1	ZINC000257256959	244285254	/nfs/dbraw/zinc/28/52/54/244285254.db2.gz	KNNQWJCVUSYAFF-CYBMUJFWSA-N	1	0	343.424	0.047	40	0		ECABRO
COC(=O)[C@H]1CN(C(=O)[C@@H]([NH3+])C(C)C)CCN1C(=O)OC(C)(C)C	ZINC000079419998	284392797	/nfs/dbraw/zinc/39/27/97/284392797.db2.gz	HWIVCTVMXOBHGQ-NEPJUHHUSA-N	1	0	343.424	0.591	40	0		ECABRO
Cc1cccc(N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)c1	ZINC000013667703	211601274	/nfs/dbraw/zinc/60/12/74/211601274.db2.gz	UKACURBRUJSJSE-UHFFFAOYSA-N	1	0	327.450	0.829	40	0		ECABRO
O=C(C[NH+]1CCC(n2cnc3cccnc32)CC1)N1CCOCC1	ZINC000012114639	211293892	/nfs/dbraw/zinc/29/38/92/211293892.db2.gz	CZCKBBUPKMROOV-UHFFFAOYSA-N	1	0	329.404	0.927	40	0		ECABRO
CCOCC(=O)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000096067034	286024298	/nfs/dbraw/zinc/02/42/98/286024298.db2.gz	KEIJPACNQWTZLL-HNNXBMFYSA-N	1	0	335.452	0.125	40	0		ECABRO
Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@H]3CCCC[NH2+]3)CC1)O2	ZINC000257219649	295369456	/nfs/dbraw/zinc/36/94/56/295369456.db2.gz	DHOTUABHRIYVDX-LLVKDONJSA-N	1	0	346.435	0.469	40	0		ECABRO
Cn1cc(I)c(C(=O)NCCC[NH+](C)C)n1	ZINC000002741326	435969346	/nfs/dbraw/zinc/96/93/46/435969346.db2.gz	BMMJFBAALYTWAJ-UHFFFAOYSA-N	1	0	336.177	0.706	40	0		ECABRO
CCNC(=O)Nc1ccc([C@H]2OCC(=O)N(CC[NH3+])[C@@H]2CO)cc1	ZINC000072321357	436041825	/nfs/dbraw/zinc/04/18/25/436041825.db2.gz	UCCROYRSIORFKX-UKRRQHHQSA-N	1	0	336.392	0.048	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc2c(c1)OCO2	ZINC000096183825	436519256	/nfs/dbraw/zinc/51/92/56/436519256.db2.gz	ZEWRKGKKRIMDRZ-UONOGXRCSA-N	1	0	345.399	0.792	40	0		ECABRO
Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2C[N@H+](C[C@@H]3CCOC3)CC[C@H]21	ZINC000096185334	436520213	/nfs/dbraw/zinc/52/02/13/436520213.db2.gz	IGOUGGNRWAMJJS-JJXSEGSLSA-N	1	0	348.447	0.523	40	0		ECABRO
CNC(=O)C[N@@H+]1CCCC12CCN(C(=O)c1cnc(C)cn1)CC2	ZINC000096075257	436510607	/nfs/dbraw/zinc/51/06/07/436510607.db2.gz	LWJBGDWDIZBDBO-UHFFFAOYSA-N	1	0	331.420	0.602	40	0		ECABRO
C[C@H]1C[N@H+](Cc2nccn2C)C[C@@]12CCN(CC(=O)N(C)C)C2=O	ZINC000096201699	436523258	/nfs/dbraw/zinc/52/32/58/436523258.db2.gz	STGGCPGWUWJSHV-GUYCJALGSA-N	1	0	333.436	0.179	40	0		ECABRO
CN(C)C(=O)CN1CC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)C1=O	ZINC000096224179	436524665	/nfs/dbraw/zinc/52/46/65/436524665.db2.gz	AAUURRPQNIOPFA-GOSISDBHSA-N	1	0	330.432	0.984	40	0		ECABRO
COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccn(C)n3)C2)C1	ZINC000096228777	436526255	/nfs/dbraw/zinc/52/62/55/436526255.db2.gz	WEGCMHCUOCXHCA-QGZVFWFLSA-N	1	0	336.436	0.621	40	0		ECABRO
CC(C)NC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCC3)[C@@H](O)[C@H]2O1	ZINC000225513463	436711670	/nfs/dbraw/zinc/71/16/70/436711670.db2.gz	GFWHLIHJKQTBLT-SZVRAQGESA-N	1	0	326.437	0.719	40	0	biogenic,in-vitro	ECABRO
COCC(=O)NC[C@@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1	ZINC000248118234	436801278	/nfs/dbraw/zinc/80/12/78/436801278.db2.gz	MHVUSVWQBIZMJJ-ZDUSSCGKSA-N	1	0	349.435	0.291	40	0		ECABRO
Cc1ncc(CNC(=O)CN2CCOCC2)c([C@@H]2CCC[N@H+]2C)n1	ZINC000257274581	436861897	/nfs/dbraw/zinc/86/18/97/436861897.db2.gz	NLRBIPABJIFFGJ-HNNXBMFYSA-N	1	0	333.436	0.500	40	0		ECABRO
CNC(=O)CCc1cc([C@@H]2CCCN(C(=O)C[NH+](C)C)C2)nc(C)n1	ZINC000257287999	436863523	/nfs/dbraw/zinc/86/35/23/436863523.db2.gz	PSINLSXIPVRHIS-CQSZACIVSA-N	1	0	347.463	0.731	40	0		ECABRO
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)C[NH+]3CCCCC3)C2)ncn1	ZINC000257306701	436869061	/nfs/dbraw/zinc/86/90/61/436869061.db2.gz	SVLKDNYKEGOWBW-GOSISDBHSA-N	1	0	347.463	0.671	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2c[nH]cn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257314444	436869535	/nfs/dbraw/zinc/86/95/35/436869535.db2.gz	UWZHXTOUXDETOE-CQSZACIVSA-N	1	0	335.452	0.411	40	0		ECABRO
Cn1ccnc1C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257318718	436869833	/nfs/dbraw/zinc/86/98/33/436869833.db2.gz	VPBQKMGDKIUFBO-CQSZACIVSA-N	1	0	328.363	0.728	40	0		ECABRO
CC[N@H+](Cc1ccncc1)[C@@H]1CN(C(=O)c2cnccn2)C[C@H]1O	ZINC000257317274	436870451	/nfs/dbraw/zinc/87/04/51/436870451.db2.gz	VJCDMCZEUMLTSY-HZPDHXFCSA-N	1	0	327.388	0.579	40	0		ECABRO
O=C(N[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)C[C@H]1O)c1ccn[nH]1	ZINC000257330772	436872059	/nfs/dbraw/zinc/87/20/59/436872059.db2.gz	XPYCCPOMBHQQTQ-HZPDHXFCSA-N	1	0	325.372	0.866	40	0		ECABRO
O=S(=O)(c1cn[nH]c1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1	ZINC000257338658	436875151	/nfs/dbraw/zinc/87/51/51/436875151.db2.gz	YYJLXWLIUPNBHW-AWEZNQCLSA-N	1	0	328.438	0.411	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)Cn3ccnc3)C[C@H]2O)cc1	ZINC000257344488	436876259	/nfs/dbraw/zinc/87/62/59/436876259.db2.gz	ZXMPWTZVJCCRLE-IAGOWNOFSA-N	1	0	344.415	0.595	40	0		ECABRO
CNC(=O)c1nnc2n1CC1(CC2)CC[NH+](Cc2cnn(C)c2)CC1	ZINC000306131634	437167042	/nfs/dbraw/zinc/16/70/42/437167042.db2.gz	KKSVOMBZGIINNE-UHFFFAOYSA-N	1	0	343.435	0.600	40	0		ECABRO
OCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2ccncc2)n1	ZINC000329007733	437300385	/nfs/dbraw/zinc/30/03/85/437300385.db2.gz	LNRAKOAMULSMJN-UHFFFAOYSA-N	1	0	342.447	0.588	40	0		ECABRO
Cn1nccc1C(=O)N1C[C@H]2CN(CC[NH+]3CCCC3)C(=O)[C@H]2C1	ZINC000585107398	439629869	/nfs/dbraw/zinc/62/98/69/439629869.db2.gz	XSBJSFKQCOESRC-KGLIPLIRSA-N	1	0	331.420	0.046	40	0		ECABRO
CNC(=O)C[C@H]1C[N@H+](CC(=O)NCc2ccc(C)cc2)C[C@@H]1OC	ZINC000585277238	439636344	/nfs/dbraw/zinc/63/63/44/439636344.db2.gz	HDDLMOYGUYSQIR-HOTGVXAUSA-N	1	0	333.432	0.694	40	0		ECABRO
Cc1cccnc1C[NH+]1CCC(C[N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585290283	439641506	/nfs/dbraw/zinc/64/15/06/439641506.db2.gz	AWYGBVCQFDQETI-QRVBRYPASA-N	1	0	349.475	0.654	40	0		ECABRO
COCC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O	ZINC000585289450	439641659	/nfs/dbraw/zinc/64/16/59/439641659.db2.gz	GNXYONWHLBNDPO-WMZOPIPTSA-N	1	0	336.432	0.180	40	0		ECABRO
O=C(N1CC2(C1)C[C@H](CO)C[N@@H+]2CC1CC1)C1(F)CCOCC1	ZINC000585093802	439627150	/nfs/dbraw/zinc/62/71/50/439627150.db2.gz	GRBJYGJNBYCCNQ-AWEZNQCLSA-N	1	0	326.412	0.810	40	0		ECABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccccc2)C1	ZINC000257224573	536400273	/nfs/dbraw/zinc/40/02/73/536400273.db2.gz	FCIRCCAJUYFUGI-AWEZNQCLSA-N	1	0	325.434	0.126	40	0		ECABRO
CN(C[C@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CCCC[NH3+]	ZINC000257230933	536452642	/nfs/dbraw/zinc/45/26/42/536452642.db2.gz	GENOATUIKBIAGJ-GOSISDBHSA-N	1	0	345.447	0.863	40	0		ECABRO
CC(=O)N1CCC[C@](O)(C[NH+]2CC(c3[nH]nc4nccnc43)C2)CC1	ZINC000072367466	216174581	/nfs/dbraw/zinc/17/45/81/216174581.db2.gz	RDZALAYKDMHKHN-QGZVFWFLSA-N	1	0	344.419	0.516	40	0		ECABRO
Cc1ccsc1C[N@@H+]1C[C@@H](O)[C@](O)(CNC(=O)c2ccccn2)C1	ZINC000257214387	244159003	/nfs/dbraw/zinc/15/90/03/244159003.db2.gz	CLTVNZXDFDQDPI-WBVHZDCISA-N	1	0	347.440	0.789	40	0		ECABRO
O=C(C[NH+]1CCCCC1)N1CCO[C@H](CCc2cc(=O)[nH]cn2)C1	ZINC000257214386	244160810	/nfs/dbraw/zinc/16/08/10/244160810.db2.gz	CLTVNRFEHVLTSE-OAHLLOKOSA-N	1	0	334.420	0.828	40	0		ECABRO
Cc1c[nH]c([C@H]2COCCN2C(=O)CN2CC[NH+](C(C)C)CC2)n1	ZINC000257251022	244268726	/nfs/dbraw/zinc/26/87/26/244268726.db2.gz	JPBVHOYKLCODOS-OAHLLOKOSA-N	1	0	335.452	0.644	40	0		ECABRO
Cn1ccnc1C[N@@H+]1C[C@H](C(=O)N2CCOCC2)C2(C1)CCOCC2	ZINC000096160157	436516808	/nfs/dbraw/zinc/51/68/08/436516808.db2.gz	DVVAIVGYJDHOHU-OAHLLOKOSA-N	1	0	348.447	0.508	40	0		ECABRO
CO[C@H]1CCN(S(C)(=O)=O)[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21	ZINC000096209448	436522491	/nfs/dbraw/zinc/52/24/91/436522491.db2.gz	RVKQAHJWPOKBGC-ZNMIVQPWSA-N	1	0	325.434	0.562	40	0		ECABRO
O=C(c1ccccn1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096054390	436506267	/nfs/dbraw/zinc/50/62/67/436506267.db2.gz	ANOVSRQNXVAVCA-SJORKVTESA-N	1	0	330.432	0.703	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCCN2CC[NH+]1CCCCC1	ZINC000096065775	436508022	/nfs/dbraw/zinc/50/80/22/436508022.db2.gz	HPEUDTXJWSLWQC-LZLYRXPVSA-N	1	0	339.480	0.809	40	0		ECABRO
CN1CCN(C(=O)C[C@@H]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3O2)CC1	ZINC000096207666	436523488	/nfs/dbraw/zinc/52/34/88/436523488.db2.gz	OLGUBBHKBVECRT-RYQLBKOJSA-N	1	0	344.459	0.835	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(CCOC[C@@H]3NS(C)(=O)=O)CC2)cn1	ZINC000096216993	436524946	/nfs/dbraw/zinc/52/49/46/436524946.db2.gz	ZFUWKQZINMYLIU-AWEZNQCLSA-N	1	0	342.465	0.340	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)Nc4cnccn4)[C@H]3C2)cn1	ZINC000096219090	436525306	/nfs/dbraw/zinc/52/53/06/436525306.db2.gz	WPWAXNZGEWBAFL-HZSPNIEDSA-N	1	0	328.376	0.296	40	0		ECABRO
Cn1cc(N2C[C@@]3(CC[N@H+](Cc4cccnc4)C3)N(C)CC2=O)cn1	ZINC000096230533	436525824	/nfs/dbraw/zinc/52/58/24/436525824.db2.gz	WPGRGWZJUOIFCB-SFHVURJKSA-N	1	0	340.431	0.738	40	0		ECABRO
C[NH+](C)CCN1CCOC[C@]2(CN(C(=O)c3cccnc3)CCO2)C1	ZINC000096229388	436527262	/nfs/dbraw/zinc/52/72/62/436527262.db2.gz	BZWYQTQMRXXZGH-GOSISDBHSA-N	1	0	348.447	0.187	40	0		ECABRO
CNC(=O)c1cc2c(nc1N(C)C)CC[N@H+](Cc1cnn(C)c1)CC2	ZINC000096260305	436528972	/nfs/dbraw/zinc/52/89/72/436528972.db2.gz	YHKWIOZATMMBPC-UHFFFAOYSA-N	1	0	342.447	0.842	40	0		ECABRO
Cn1cc(CN2C[C@@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)cn1	ZINC000107204313	436608177	/nfs/dbraw/zinc/60/81/77/436608177.db2.gz	FRVJDJWMDLVXNY-BFYDXBDKSA-N	1	0	343.431	0.920	40	0		ECABRO
Cn1nccc1C[NH+]1CCC2(CC1)C[C@H](NS(C)(=O)=O)CCO2	ZINC000108526069	436619145	/nfs/dbraw/zinc/61/91/45/436619145.db2.gz	JMGFGGBOUORYAZ-CYBMUJFWSA-N	1	0	342.465	0.483	40	0		ECABRO
CN(C)C(=O)COC[C@@H]1C[N@H+](CC2CCOCC2)Cc2cncn21	ZINC000248030363	436799159	/nfs/dbraw/zinc/79/91/59/436799159.db2.gz	SVMVUPASCLYZIT-INIZCTEOSA-N	1	0	336.436	0.771	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1CCOC2(C[NH+](CC3CCOCC3)C2)C1	ZINC000248061512	436799232	/nfs/dbraw/zinc/79/92/32/436799232.db2.gz	ZAKFFCSKHLIVED-OAHLLOKOSA-N	1	0	326.437	0.751	40	0		ECABRO
Cc1cn(C)c([C@@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1	ZINC000257296285	436865783	/nfs/dbraw/zinc/86/57/83/436865783.db2.gz	RCBKZXNKHKVWMI-CYBMUJFWSA-N	1	0	326.466	0.942	40	0		ECABRO
CCCn1ccnc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257306463	436868238	/nfs/dbraw/zinc/86/82/38/436868238.db2.gz	SUIUYJQRQNACLX-OAHLLOKOSA-N	1	0	349.479	0.691	40	0		ECABRO
Cc1cncc(C(=O)N2CC[C@H](O)[C@@H]([N@@H+]3CCCN(C)CC3)CC2)c1	ZINC000257307835	436869148	/nfs/dbraw/zinc/86/91/48/436869148.db2.gz	TUIGPAVSEARJEH-ROUUACIJSA-N	1	0	346.475	0.993	40	0		ECABRO
CC(=O)N[C@]12C[N@H+](CCO)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2	ZINC000257330024	436872795	/nfs/dbraw/zinc/87/27/95/436872795.db2.gz	XMLVDKYKQKLBFP-GUDVDZBRSA-N	1	0	345.443	0.779	40	0		ECABRO
[NH3+][C@@H]1C[C@@H](O)[C@H](CO)[C@H]1Cc1ccnc(COc2ccccc2)n1	ZINC000604382268	439311401	/nfs/dbraw/zinc/31/14/01/439311401.db2.gz	MQJHMVSDPYRWKX-QBPKDAKJSA-N	1	0	329.400	0.915	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@@H]1COc1cnccn1	ZINC000585097432	439629246	/nfs/dbraw/zinc/62/92/46/439629246.db2.gz	LPQMSOJNDKVSDN-CQSZACIVSA-N	1	0	330.392	0.415	40	0		ECABRO
Cn1nccc1C(=O)N1C[C@@H](OCC2CC[NH+](C)CC2)[C@H]2COC[C@H]21	ZINC000585108172	439630720	/nfs/dbraw/zinc/63/07/20/439630720.db2.gz	LMWRSUIBGFXTJO-USXIJHARSA-N	1	0	348.447	0.618	40	0		ECABRO
NC(=O)[C@@H]1CN(C(=O)c2cccs2)CC[N@@H+](C2CCOCC2)C1	ZINC000585182324	439635231	/nfs/dbraw/zinc/63/52/31/439635231.db2.gz	KEWZVSGHORRROX-LBPRGKRZSA-N	1	0	337.445	0.786	40	0		ECABRO
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)o1	ZINC000585291283	439641394	/nfs/dbraw/zinc/64/13/94/439641394.db2.gz	OLHNFQJPTCLPAY-KURKYZTESA-N	1	0	338.448	0.852	40	0		ECABRO
Cc1cccc(C[NH+]2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)n1	ZINC000585291212	439642209	/nfs/dbraw/zinc/64/22/09/439642209.db2.gz	NJXAWWPJIRTLRQ-QRVBRYPASA-N	1	0	349.475	0.654	40	0		ECABRO
CC(C)n1nccc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257205824	535145940	/nfs/dbraw/zinc/14/59/40/535145940.db2.gz	BASZDBHPCORJBG-OAHLLOKOSA-N	1	0	349.479	0.862	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCc2nc(C(C)C)no2)CC[N@H+](C)C1	ZINC000257272614	536398624	/nfs/dbraw/zinc/39/86/24/536398624.db2.gz	NDCBCASILUXYRH-LBPRGKRZSA-N	1	0	337.424	0.262	40	0		ECABRO
CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)[C@]1(C[NH3+])CO	ZINC000242648883	545934791	/nfs/dbraw/zinc/93/47/91/545934791.db2.gz	RJIROVUMEBHVLO-TUAOUCFPSA-N	1	0	334.235	0.897	40	0		ECABRO
CC1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccccc3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465990	212134315	/nfs/dbraw/zinc/13/43/15/212134315.db2.gz	QRCCXXXUJBERKO-VSZNYVQBSA-N	1	0	348.443	0.638	40	0	biogenic,in-vitro	ECABRO
CNC(=O)c1cnn(CC2CC[NH+](CC3(O)CCOCC3)CC2)c1	ZINC000257218776	244179152	/nfs/dbraw/zinc/17/91/52/244179152.db2.gz	DEJSXDVTHOSLDB-UHFFFAOYSA-N	1	0	336.436	0.496	40	0		ECABRO
Cc1noc(C)c1-c1cc(CC[C@H]2CN(C(=O)C[NH3+])CCO2)ncn1	ZINC000257249296	244265486	/nfs/dbraw/zinc/26/54/86/244265486.db2.gz	JHOZLRDUGGJQNT-AWEZNQCLSA-N	1	0	345.403	0.867	40	0		ECABRO
CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]C2CCC(F)(F)CC2)[C@@H]1O	ZINC000077264861	216859192	/nfs/dbraw/zinc/85/91/92/216859192.db2.gz	HBLLBWKHWWBADU-UPJWGTAASA-N	1	0	335.395	0.990	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@H]1CN(Cc2nccn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257264528	244357301	/nfs/dbraw/zinc/35/73/01/244357301.db2.gz	LUVPWYBHPUVAAU-AWEZNQCLSA-N	1	0	335.452	0.079	40	0		ECABRO
COCC[N@@H+]1CC[C@]2(C1)COCc1cnc(N3CCOCC3)nc12	ZINC000096244183	274033540	/nfs/dbraw/zinc/03/35/40/274033540.db2.gz	JVAIXFLDVUSSCC-KRWDZBQOSA-N	1	0	334.420	0.433	40	0		ECABRO
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000053274745	274937568	/nfs/dbraw/zinc/93/75/68/274937568.db2.gz	KIHQBNDANGJYBJ-IRXDYDNUSA-N	1	0	339.395	0.701	40	0		ECABRO
CCS(=O)(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)[nH]c(=O)c2C1	ZINC000257342943	280016177	/nfs/dbraw/zinc/01/61/77/280016177.db2.gz	ZQRVYMOUNDPEPI-LBPRGKRZSA-N	1	0	326.422	0.705	40	0		ECABRO
O=C(CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)NCC[NH+]1CCCCC1	ZINC000013688951	436066361	/nfs/dbraw/zinc/06/63/61/436066361.db2.gz	NJTZQUJQMKMJMK-GASCZTMLSA-N	1	0	333.432	0.930	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2nccc2CN(C(=O)c2ccnnc2)C1	ZINC000096188983	436520761	/nfs/dbraw/zinc/52/07/61/436520761.db2.gz	JMYJXKDTMHUZEQ-CQSZACIVSA-N	1	0	344.419	0.524	40	0		ECABRO
CN(C)C(=O)COC[C@@]12CCO[C@@H]1CC[N@H+](Cc1cnn(C)c1)C2	ZINC000096206218	436522644	/nfs/dbraw/zinc/52/26/44/436522644.db2.gz	FKKPPEOYLDWMNC-WBVHZDCISA-N	1	0	336.436	0.506	40	0		ECABRO
Cn1cc(CN2CCCn3c(=O)cc(C[NH+]4CCCC4)nc3C2)cn1	ZINC000096059573	436507700	/nfs/dbraw/zinc/50/77/00/436507700.db2.gz	HVEYHZWVDYXTIO-UHFFFAOYSA-N	1	0	342.447	0.979	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1ccccn1)C2	ZINC000096060672	436508698	/nfs/dbraw/zinc/50/86/98/436508698.db2.gz	FVHBCSYVEAMFHK-CQSZACIVSA-N	1	0	330.436	0.888	40	0		ECABRO
CNC(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1cc(C)nn1C)CC2	ZINC000096073123	436510541	/nfs/dbraw/zinc/51/05/41/436510541.db2.gz	PSSIIAMNLFFYOJ-OAHLLOKOSA-N	1	0	336.436	0.615	40	0		ECABRO
CN(C)C(=O)CO[C@H]1COC2(C1)CC[NH+](Cc1ccn(C)n1)CC2	ZINC000096073135	436510878	/nfs/dbraw/zinc/51/08/78/436510878.db2.gz	UPTKCRMRINWIPE-OAHLLOKOSA-N	1	0	336.436	0.648	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CC(=O)N3CCOCC3)C2)cn1	ZINC000096205801	436523457	/nfs/dbraw/zinc/52/34/57/436523457.db2.gz	FLTPCEOWXZTJQX-WBVHZDCISA-N	1	0	334.420	0.117	40	0		ECABRO
Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccccn4)C3)N(C)CC2=O)cn1	ZINC000096230523	436525977	/nfs/dbraw/zinc/52/59/77/436525977.db2.gz	VYXUXGBSPMNVPH-SFHVURJKSA-N	1	0	340.431	0.738	40	0		ECABRO
C[NH+](C)CC(=O)N1CCO[C@@]2(CCCN(c3ncccc3F)C2)C1	ZINC000096226411	436526073	/nfs/dbraw/zinc/52/60/73/436526073.db2.gz	PFPOBEQURZXIRO-KRWDZBQOSA-N	1	0	336.411	0.980	40	0		ECABRO
Cc1noc(C)c1C[NH+]1CCC2(CC1)C(=O)N(CCO)CCN2C	ZINC000096230098	436526156	/nfs/dbraw/zinc/52/61/56/436526156.db2.gz	USGNGKNENZJQMC-UHFFFAOYSA-N	1	0	336.436	0.392	40	0		ECABRO
Cc1cccc(C[N@H+]2C[C@@H]3CCN(CC(=O)N(C)C)C(=O)[C@H]3C2)n1	ZINC000096249055	436528392	/nfs/dbraw/zinc/52/83/92/436528392.db2.gz	HTVDPARLDHUWIB-HOCLYGCPSA-N	1	0	330.432	0.759	40	0		ECABRO
CC(C)[N@@H+]1C[C@@H]2CN(S(C)(=O)=O)C[C@H](C1)C2(O)C(F)(F)F	ZINC000096261790	436529018	/nfs/dbraw/zinc/52/90/18/436529018.db2.gz	DIMOQGWJIDIKKO-ZACCUICWSA-N	1	0	330.372	0.511	40	0		ECABRO
[NH3+][C@H]1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)C1	ZINC000096530697	436534847	/nfs/dbraw/zinc/53/48/47/436534847.db2.gz	GCQRXGZYLFJDBU-ZDUSSCGKSA-N	1	0	328.351	0.616	40	0		ECABRO
CC(C)[N@H+](C)C[C@@H]1CO[C@@]2(C1)COCCN(S(=O)(=O)C1CC1)C2	ZINC000107738732	436614445	/nfs/dbraw/zinc/61/44/45/436614445.db2.gz	VNQWLUJDJBFZHO-GDBMZVCRSA-N	1	0	346.493	0.926	40	0		ECABRO
COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ncccn1)CC2	ZINC000247886185	436797500	/nfs/dbraw/zinc/79/75/00/436797500.db2.gz	RSFPMZTUSBPIPK-OAHLLOKOSA-N	1	0	348.447	0.924	40	0		ECABRO
O=C(C[NH+]1CCCC1)N1CCOC[C@@H](Cc2cn3ccnc3cn2)C1	ZINC000257253320	436861271	/nfs/dbraw/zinc/86/12/71/436861271.db2.gz	JYLBHLZMVJMQRN-HNNXBMFYSA-N	1	0	343.431	0.843	40	0		ECABRO
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CC[NH3+]	ZINC000257280553	436861847	/nfs/dbraw/zinc/86/18/47/436861847.db2.gz	OLIUZNFOXDFJPF-SFHVURJKSA-N	1	0	343.431	0.768	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cccc(-n3cnnc3)c2)CC[N@H+](C)C1	ZINC000257283435	436862054	/nfs/dbraw/zinc/86/20/54/436862054.db2.gz	OYIMOSLRWLPEMG-AWEZNQCLSA-N	1	0	342.403	0.017	40	0		ECABRO
CNC(=O)CCc1cccc(C2CC[NH+]([C@@H]3COC[C@H]3O)CC2)n1	ZINC000257288585	436864239	/nfs/dbraw/zinc/86/42/39/436864239.db2.gz	PUVURPXBODRXHM-IAGOWNOFSA-N	1	0	333.432	0.699	40	0		ECABRO
NC(=O)C1CCN(C(=O)[C@H]2CN(c3ccc(F)cc3)CC[NH2+]2)CC1	ZINC000257296371	436866174	/nfs/dbraw/zinc/86/61/74/436866174.db2.gz	RCNYSIPOPVNSRS-OAHLLOKOSA-N	1	0	334.395	0.328	40	0		ECABRO
C[NH+](C)CCNc1cccc(C[C@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257308319	436868764	/nfs/dbraw/zinc/86/87/64/436868764.db2.gz	TWHSBPFAAISMOA-CYBMUJFWSA-N	1	0	326.466	0.879	40	0		ECABRO
CN(C)c1cc(C[C@H]2C[NH2+]CCN(C(=O)c3cccnc3)C2)ncn1	ZINC000257312763	436868992	/nfs/dbraw/zinc/86/89/92/436868992.db2.gz	UPKWGBXRRSMCLH-AWEZNQCLSA-N	1	0	340.431	0.842	40	0		ECABRO
O=C(Cn1cnnn1)N(c1ccccc1)[C@@H]1COC2(C1)CC[NH2+]CC2	ZINC000257319358	436869515	/nfs/dbraw/zinc/86/95/15/436869515.db2.gz	VSBGJUZOUIKQKP-HNNXBMFYSA-N	1	0	342.403	0.617	40	0		ECABRO
CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(OCCF)cc2)C[C@H]1O	ZINC000257315313	436870513	/nfs/dbraw/zinc/87/05/13/436870513.db2.gz	VATIVMGKRFKDTR-IAGOWNOFSA-N	1	0	340.395	0.469	40	0		ECABRO
Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)CCn3cnnn3)C2)[nH+]1	ZINC000257324066	436871731	/nfs/dbraw/zinc/87/17/31/436871731.db2.gz	WMZUXPLALXXLBT-ZDUSSCGKSA-N	1	0	329.408	0.849	40	0		ECABRO
[NH3+]CCCCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]12	ZINC000071789690	303375140	/nfs/dbraw/zinc/37/51/40/303375140.db2.gz	CCSGGWGTGOLEHK-OUCADQQQSA-N	1	0	328.482	0.957	40	0	in-vitro	ECABRO
O=C(NC1CC1)c1nnc2n1C[C@H]1C[N@@H+](Cc3ccncc3)C[C@@H]1C2	ZINC000306126570	437165838	/nfs/dbraw/zinc/16/58/38/437165838.db2.gz	DZCVFYQEMCLMAB-UONOGXRCSA-N	1	0	338.415	0.870	40	0		ECABRO
CC(C)Cn1nc2n(c(=O)c1=O)CC1(CC[NH+](CC3CC3)CC1)N2C	ZINC000306142682	437168102	/nfs/dbraw/zinc/16/81/02/437168102.db2.gz	XGIIXRPCFYJHHB-UHFFFAOYSA-N	1	0	347.463	0.755	40	0		ECABRO
COC(=O)c1ccc2c(c1)CCN(c1cc(C)[nH+]c(NCCO)n1)C2	ZINC000329068979	437313788	/nfs/dbraw/zinc/31/37/88/437313788.db2.gz	YTHIEHWVPMANNG-UHFFFAOYSA-N	1	0	342.399	1.539	40	0		ECABRO
Cc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@](C)(C(N)=O)C3)CC2)c1	ZINC000585282582	439640582	/nfs/dbraw/zinc/64/05/82/439640582.db2.gz	HFUOVULGZFOREG-SFHVURJKSA-N	1	0	347.459	0.903	40	0		ECABRO
CC(C)C[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585289347	439641078	/nfs/dbraw/zinc/64/10/78/439641078.db2.gz	FFRPIVRFIFVEMU-CABCVRRESA-N	1	0	328.434	0.029	40	0		ECABRO
CN(C)C(=O)COC[C@H]1C[N@H+](C)C2(CN(c3ncc(F)cn3)C2)C1	ZINC000585093824	439627657	/nfs/dbraw/zinc/62/76/57/439627657.db2.gz	HYZPNFAUYJRDQO-GFCCVEGCSA-N	1	0	337.399	0.231	40	0		ECABRO
CC1CC[NH+](C[C@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)CC1	ZINC000012602502	611345731	/nfs/dbraw/zinc/34/57/31/611345731.db2.gz	ZMLNFXLKRFSURO-HRCADAONSA-N	1	0	329.510	0.978	40	0	biogenic,in-vitro	ECABRO
CN(C)c1cc(C[C@H]2C[NH2+]CCN(C(=O)c3ccncc3)C2)ncn1	ZINC000072355131	216163889	/nfs/dbraw/zinc/16/38/89/216163889.db2.gz	UMCCJKOCXSGHCC-AWEZNQCLSA-N	1	0	340.431	0.842	40	0		ECABRO
COCCNc1ccc(C[C@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1	ZINC000072387301	216186271	/nfs/dbraw/zinc/18/62/71/216186271.db2.gz	FPLTZUCGMPTRBM-CQSZACIVSA-N	1	0	335.452	0.878	40	0		ECABRO
Cn1nc(C(=O)N2CC[C@H](O)[C@@H]([NH+](C)C)CC2)cc1C(F)(F)F	ZINC000257207591	244139434	/nfs/dbraw/zinc/13/94/34/244139434.db2.gz	BIKOQCVISRSBNG-QWRGUYRKSA-N	1	0	334.342	0.966	40	0		ECABRO
CC(=O)N1CC[N@H+](CC2=Cc3ccccc3OC2)C[C@H](C(N)=O)C1	ZINC000257208454	244143920	/nfs/dbraw/zinc/14/39/20/244143920.db2.gz	BMFBGGDQBXRTNS-INIZCTEOSA-N	1	0	329.400	0.728	40	0		ECABRO
O=C(c1cncc(O)c1)N1CCC[C@@](O)(C[NH+]2CCOCC2)CC1	ZINC000257217439	244170587	/nfs/dbraw/zinc/17/05/87/244170587.db2.gz	CYYHZEYQUJOHJC-KRWDZBQOSA-N	1	0	335.404	0.477	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3cn(C)nc3C)CC2)OC[C@]1(C)O	ZINC000257242930	244247288	/nfs/dbraw/zinc/24/72/88/244247288.db2.gz	IETQREKCNPMXLO-HOCLYGCPSA-N	1	0	336.436	0.463	40	0		ECABRO
NC(=O)C1CC[NH+]([C@@H]2CCN(Cc3cccc(F)c3)C[C@H]2O)CC1	ZINC000019293875	212013343	/nfs/dbraw/zinc/01/33/43/212013343.db2.gz	ZESXVKZTIXUHGS-IAGOWNOFSA-N	1	0	335.423	0.958	40	0		ECABRO
Cc1ccccc1N(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O	ZINC000013675111	211605878	/nfs/dbraw/zinc/60/58/78/211605878.db2.gz	IRSPNJXMCMDBMS-UHFFFAOYSA-N	1	0	327.450	0.829	40	0		ECABRO
CCC(=O)N1CCc2cc(S(=O)(=O)NCC[NH+](C)C)ccc21	ZINC000004969069	210343243	/nfs/dbraw/zinc/34/32/43/210343243.db2.gz	FVSMRXKWYQWQDG-UHFFFAOYSA-N	1	0	325.434	0.826	40	0		ECABRO
COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(C)C	ZINC000004778064	210276517	/nfs/dbraw/zinc/27/65/17/210276517.db2.gz	LIUXYJCYYMVZRA-XQQFMLRXSA-N	1	0	329.441	0.424	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@@H]2CCOC2)C1	ZINC000096188992	276792234	/nfs/dbraw/zinc/79/22/34/276792234.db2.gz	VKJIHZGHDXJXAO-LSDHHAIUSA-N	1	0	336.436	0.456	40	0		ECABRO
Cc1cnc(N2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)nc1	ZINC000096229390	292911459	/nfs/dbraw/zinc/91/14/59/292911459.db2.gz	NKUBZQBKXLXUKR-QGZVFWFLSA-N	1	0	335.452	0.254	40	0		ECABRO
COc1ccc2c(c1)C(=O)NC[C@]1(CCCN(C(=O)[C@@H](C)[NH3+])C1)O2	ZINC000012122813	295256532	/nfs/dbraw/zinc/25/65/32/295256532.db2.gz	ZLPRBAUHNDQSCV-DIFFPNOSSA-N	1	0	333.388	0.526	40	0		ECABRO
Nc1nc2c(c(N)n1)CC1(CCN(C(=O)C[C@@H]3CCC[NH2+]C3)CC1)O2	ZINC000257207441	295369190	/nfs/dbraw/zinc/36/91/90/295369190.db2.gz	BHTCHLCKQRWRHZ-NSHDSACASA-N	1	0	346.435	0.327	40	0		ECABRO
COC(=O)C1[C@@H](c2ccc(NC(C)=O)cc2)[C@@H](C(=O)OC)O[N+]1=O	ZINC000001590414	435958558	/nfs/dbraw/zinc/95/85/58/435958558.db2.gz	CVGQQXQYESYBBF-YPMHNXCESA-N	1	0	336.300	0.340	40	0		ECABRO
COCC(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C	ZINC000019079630	436105529	/nfs/dbraw/zinc/10/55/29/436105529.db2.gz	GTLLJYZPOCKMOI-HIFRSBDPSA-N	1	0	349.431	0.489	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)c1ccc(F)cc1	ZINC000077265399	436230680	/nfs/dbraw/zinc/23/06/80/436230680.db2.gz	NQDJOKBDJLPWHB-ZACQAIPSSA-N	1	0	345.374	0.869	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](CC1CCOCC1)C2)c1ccno1	ZINC000096108482	436514156	/nfs/dbraw/zinc/51/41/56/436514156.db2.gz	XYSXXYGCNJFAGB-PBHICJAKSA-N	1	0	335.404	0.779	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CCC3(C[C@H]([NH+](C)C)CO3)CC2)c1	ZINC000096158637	436517525	/nfs/dbraw/zinc/51/75/25/436517525.db2.gz	OUUNTQXGVKPFGD-LBPRGKRZSA-N	1	0	328.438	0.294	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC000096055052	436505951	/nfs/dbraw/zinc/50/59/51/436505951.db2.gz	HSJWUGOIRMKIKJ-HUUCEWRRSA-N	1	0	337.445	0.849	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)C1=CCCC1)C2	ZINC000096045470	436506602	/nfs/dbraw/zinc/50/66/02/436506602.db2.gz	YHCHMUJLDRPCMX-CQSZACIVSA-N	1	0	333.436	0.929	40	0		ECABRO
Cc1cnc(CNC(=O)[C@@H]2C[C@H]3[C@H](CC[N@@H+]3[C@@H]3CCOC3)O2)cn1	ZINC000096064752	436508955	/nfs/dbraw/zinc/50/89/55/436508955.db2.gz	BKQPSICTPKEQJZ-UGUYLWEFSA-N	1	0	332.404	0.422	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1cccnc1)C2	ZINC000096060674	436509282	/nfs/dbraw/zinc/50/92/82/436509282.db2.gz	FTUMKSYARKXUKP-OAHLLOKOSA-N	1	0	330.436	0.888	40	0		ECABRO
Cc1cnc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)cn1	ZINC000096092177	436512151	/nfs/dbraw/zinc/51/21/51/436512151.db2.gz	GFJBFCAAXIGSRS-YCPHGPKFSA-N	1	0	341.419	0.612	40	0		ECABRO
CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)O1	ZINC000096207250	436523319	/nfs/dbraw/zinc/52/33/19/436523319.db2.gz	RQLQCXZLBVNJTR-HUUCEWRRSA-N	1	0	332.466	0.728	40	0		ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2)c1ccno1	ZINC000096206234	436523378	/nfs/dbraw/zinc/52/33/78/436523378.db2.gz	TWOATJDGDNRTTI-DYVFJYSZSA-N	1	0	328.372	0.948	40	0		ECABRO
C[NH+](C)CC(=O)N1CCOC[C@]2(CN(c3ccccc3)C(=O)CO2)C1	ZINC000096240079	436526773	/nfs/dbraw/zinc/52/67/73/436526773.db2.gz	WOWZFJOHIFNEAX-GOSISDBHSA-N	1	0	347.415	0.209	40	0		ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc2c(c1)OCO2	ZINC000242463913	436759881	/nfs/dbraw/zinc/75/98/81/436759881.db2.gz	DPYIVCDNAIVXRK-UMVBOHGHSA-N	1	0	341.385	0.434	40	0		ECABRO
CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000248241389	436801156	/nfs/dbraw/zinc/80/11/56/436801156.db2.gz	FDMVHHVYOGARCF-JGGQBBKZSA-N	1	0	349.431	0.854	40	0		ECABRO
COc1cccc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)c1	ZINC000257285915	436861861	/nfs/dbraw/zinc/86/18/61/436861861.db2.gz	PJKJKMCXYYCAHR-SFHVURJKSA-N	1	0	333.432	0.520	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)c2cncnc2)CC[C@@H]1O	ZINC000257291622	436863429	/nfs/dbraw/zinc/86/34/29/436863429.db2.gz	QHXBHRJNHKADCX-HOTGVXAUSA-N	1	0	334.420	0.553	40	0		ECABRO
CS(=O)(=O)N1CCC([N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1	ZINC000257289900	436864115	/nfs/dbraw/zinc/86/41/15/436864115.db2.gz	QARRVKINHJGGRU-HZPDHXFCSA-N	1	0	340.445	0.535	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)/C=C/c3ccncc3)C2)CC1	ZINC000257308127	436868873	/nfs/dbraw/zinc/86/88/73/436868873.db2.gz	TVMVSGPPZBXLKW-ZMUQKWFASA-N	1	0	330.432	0.306	40	0		ECABRO
Cc1nc[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(=O)N(C)C)C1	ZINC000257320122	436870164	/nfs/dbraw/zinc/87/01/64/436870164.db2.gz	VVLNYQKZVUCXRE-OAHLLOKOSA-N	1	0	349.479	0.719	40	0		ECABRO
O=C(c1cnc[nH]c1=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257341291	436875394	/nfs/dbraw/zinc/87/53/94/436875394.db2.gz	ZJSNAECGBCSELA-AWEZNQCLSA-N	1	0	342.346	0.490	40	0		ECABRO
CS(=O)(=O)NC[C@H]1OC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]21	ZINC000306133450	437167796	/nfs/dbraw/zinc/16/77/96/437167796.db2.gz	MLVGVEPAWJDNPZ-BPLDGKMQSA-N	1	0	325.434	0.468	40	0		ECABRO
Cc1ccc(C)c(S(=O)(=O)NCC[NH2+][C@H]2CCS(=O)(=O)C2)c1	ZINC000575424222	438749234	/nfs/dbraw/zinc/74/92/34/438749234.db2.gz	TZAWVLDPQJLEEY-ZDUSSCGKSA-N	1	0	346.474	0.358	40	0		ECABRO
CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)N2CC[NH2+]CC2)C1	ZINC000575624281	438751495	/nfs/dbraw/zinc/75/14/95/438751495.db2.gz	WVPFDOPMVFQEDY-INIZCTEOSA-N	1	0	327.425	0.570	40	0		ECABRO
CCCC[N@H+](C)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccs2)[C@H]1O	ZINC000514289573	438812775	/nfs/dbraw/zinc/81/27/75/438812775.db2.gz	VMLNYJQOCCVEEG-SGMGOOAPSA-N	1	0	348.490	0.887	40	0	biogenic,in-vitro	ECABRO
CS(=O)(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1	ZINC000604381672	439311780	/nfs/dbraw/zinc/31/17/80/439311780.db2.gz	KNGUBIRCYJRZDL-OAHLLOKOSA-N	1	0	343.493	0.350	40	0	biogenic,in-vitro	ECABRO
Cn1cc(N2C[C@@]3(CCC[N@H+](C[C@H]4CCCO4)C3)C2=O)ccc1=O	ZINC000585099423	439629178	/nfs/dbraw/zinc/62/91/78/439629178.db2.gz	IVXYHDMLSNSNSW-QAPCUYQASA-N	1	0	331.416	0.993	40	0		ECABRO
COCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc3cc[nH]c3c2)C[C@H]1O	ZINC000585261361	439635544	/nfs/dbraw/zinc/63/55/44/439635544.db2.gz	GDAACFZARTYXMH-SJLPKXTDSA-N	1	0	347.415	0.228	40	0		ECABRO
CCN(C(=O)CC1=CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585287283	439639742	/nfs/dbraw/zinc/63/97/42/439639742.db2.gz	WXEMJRIFTOAMFP-FMKPAKJESA-N	1	0	340.464	0.823	40	0		ECABRO
O=C(NC1CCCCC1)[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298932	560208541	/nfs/dbraw/zinc/20/85/41/560208541.db2.gz	FEULKVYAGBVSJI-XKQJLSEDSA-N	1	0	347.463	0.930	40	0	biogenic,in-vitro	ECABRO
CCN1CCN(C2=[NH+][C@@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1	ZINC000019818000	202022873	/nfs/dbraw/zinc/02/28/73/202022873.db2.gz	FQBNKBBVURYZHV-GJZGRUSLSA-N	1	0	344.415	0.640	40	0		ECABRO
NC(=O)[C@@H]1CN(C2CCOCC2)CC[N@H+](CC2(O)CCCCC2)C1	ZINC000257289804	283355898	/nfs/dbraw/zinc/35/58/98/283355898.db2.gz	QAGNWDPMEIWBQR-HNNXBMFYSA-N	1	0	339.480	0.580	40	0		ECABRO
CC(C)C[NH2+][C@@H]1[C@@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@H]1O	ZINC000077261993	202391557	/nfs/dbraw/zinc/39/15/57/202391557.db2.gz	IHZQSUCXANKLBD-JOCBIADPSA-N	1	0	335.448	0.742	40	0	biogenic,in-vitro	ECABRO
CN(C)C(=O)[C@H]1CN(Cc2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1	ZINC000257212503	244153622	/nfs/dbraw/zinc/15/36/22/244153622.db2.gz	CDSLTMODYQYNTR-INIZCTEOSA-N	1	0	349.479	0.421	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1	ZINC000257215754	244166100	/nfs/dbraw/zinc/16/61/00/244166100.db2.gz	CRMQBIZVPDNECR-HNNXBMFYSA-N	1	0	335.452	0.079	40	0		ECABRO
CNC(=O)[C@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CCOC	ZINC000257231948	244217720	/nfs/dbraw/zinc/21/77/20/244217720.db2.gz	GIUVOKBVNOQNFI-MRXNPFEDSA-N	1	0	333.432	0.524	40	0		ECABRO
CS(=O)(=O)c1c[nH]nc1[C@H]1CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000257237963	244234682	/nfs/dbraw/zinc/23/46/82/244234682.db2.gz	HIZZHCQTRUEKCP-NSHDSACASA-N	1	0	326.422	0.129	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccccc2)C[C@](O)(Cn2cccn2)C1	ZINC000072354454	203204592	/nfs/dbraw/zinc/20/45/92/203204592.db2.gz	HLCPRHZCEOYJRW-SFHVURJKSA-N	1	0	328.416	0.631	40	0		ECABRO
O=c1cc([C@@H]2CC[N@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[nH]1	ZINC000072394673	203213618	/nfs/dbraw/zinc/21/36/18/203213618.db2.gz	MAZGWJDNJYFNPY-CQSZACIVSA-N	1	0	341.415	0.991	40	0		ECABRO
Cc1ocnc1C(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCCN(C)CC2)CC1	ZINC000257274285	244389834	/nfs/dbraw/zinc/38/98/34/244389834.db2.gz	NKJHQFFEJJOWPR-GJZGRUSLSA-N	1	0	336.436	0.586	40	0		ECABRO
O=c1cccnn1C[C@H]1Cn2ccnc2C[N@H+](C[C@H]2CCOC2)C1	ZINC000107210240	204228032	/nfs/dbraw/zinc/22/80/32/204228032.db2.gz	UTYLUWCPPIVAMI-HUUCEWRRSA-N	1	0	329.404	0.608	40	0		ECABRO
Cc1cccc(CN2C[C@H]3C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)n1	ZINC000107266356	204230745	/nfs/dbraw/zinc/23/07/45/204230745.db2.gz	VFCGOONFAZHXQU-BRWVUGGUSA-N	1	0	332.448	0.657	40	0		ECABRO
O=c1[nH]c(-c2cnccn2)nc2c1CC[N@H+](C[C@H]1CCCO1)CC2	ZINC000019403836	285194728	/nfs/dbraw/zinc/19/47/28/285194728.db2.gz	XZFIWNBPBNRVQE-GFCCVEGCSA-N	1	0	327.388	0.807	40	0		ECABRO
OCCNc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccnc2)n1	ZINC000329017375	257905532	/nfs/dbraw/zinc/90/55/32/257905532.db2.gz	NLHBXZCLCBINBC-UHFFFAOYSA-N	1	0	342.447	0.588	40	0		ECABRO
COCC[NH+]1CCC2(CC1)O[C@@H](C(=O)N1CCCC1)Cn1ccnc12	ZINC000096243701	292524109	/nfs/dbraw/zinc/52/41/09/292524109.db2.gz	NFXIXBNFRLXJNM-OAHLLOKOSA-N	1	0	348.447	0.842	40	0		ECABRO
Cn1cc(C(=O)N[C@@H]2CCO[C@]3(CC[N@@H+](C4CCOCC4)C3)C2)cn1	ZINC000096206487	294221710	/nfs/dbraw/zinc/22/17/10/294221710.db2.gz	SZCJGYUQGATJSM-CRAIPNDOSA-N	1	0	348.447	0.952	40	0		ECABRO
Cc1ncc(C[N@@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cn1	ZINC000019287249	436107533	/nfs/dbraw/zinc/10/75/33/436107533.db2.gz	UQMUECNBOBXFCW-UHFFFAOYSA-N	1	0	349.398	0.926	40	0		ECABRO
O=C(N[C@H]1C[N@H+](CC2CCOCC2)[C@@H]2CCCO[C@@H]21)c1cnccn1	ZINC000096186917	436519990	/nfs/dbraw/zinc/51/99/90/436519990.db2.gz	HGYZGTLCOQQZDK-GVDBMIGSSA-N	1	0	346.431	0.865	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)[C@H]1CCCO1)CC2	ZINC000096196660	436520775	/nfs/dbraw/zinc/52/07/75/436520775.db2.gz	ARPFDQGPBXXGJU-MRXNPFEDSA-N	1	0	333.432	0.516	40	0		ECABRO
CCS(=O)(=O)N1CC[N@@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC000096055051	436506228	/nfs/dbraw/zinc/50/62/28/436506228.db2.gz	WHKCDYYDWIYUNT-HUUCEWRRSA-N	1	0	325.434	0.706	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3C[C@H](CNC(=O)c4cccn4C)O[C@H]3C2)cn1	ZINC000096056665	436506352	/nfs/dbraw/zinc/50/63/52/436506352.db2.gz	XNTVSLLHRZGGGW-INMHGKMJSA-N	1	0	343.431	0.778	40	0		ECABRO
CC[NH+](CC)[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)[C@@H]2COC[C@@H]21	ZINC000096092142	436512103	/nfs/dbraw/zinc/51/21/03/436512103.db2.gz	XOSRWYIHFZXCFN-JHJVBQTASA-N	1	0	328.438	0.150	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCC4CCOCC4)[C@H]3C2)cn1	ZINC000096216441	436524193	/nfs/dbraw/zinc/52/41/93/436524193.db2.gz	KQJYBHYLEFWTPH-IXDOHACOSA-N	1	0	348.447	0.410	40	0		ECABRO
CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+]([C@H]3CCOC3)CC2)O1	ZINC000096243670	436526998	/nfs/dbraw/zinc/52/69/98/436526998.db2.gz	QICGVQNMWBMJQI-LSDHHAIUSA-N	1	0	348.447	0.887	40	0		ECABRO
CN(C)C(=O)[C@@]12CCC3(CCN(S(C)(=O)=O)CC3)[C@@H]1C[N@H+](C)C2	ZINC000096262422	436529133	/nfs/dbraw/zinc/52/91/33/436529133.db2.gz	QVCKIHCCDQESGZ-XJKSGUPXSA-N	1	0	343.493	0.458	40	0		ECABRO
Cc1cn(CCCC[C@@H]([NH3+])C(=O)[O-])c[n+]1CCCC[C@H]([NH3+])C(=O)[O-]	ZINC000059067634	436631309	/nfs/dbraw/zinc/63/13/09/436631309.db2.gz	NVJLIMSDAPOFHF-KGLIPLIRSA-O	1	0	341.432	0.248	40	0		ECABRO
CNC(=O)c1cnn2c1nccc2[C@H]1CCCN1C(=O)C[NH+](C)C	ZINC000257249498	436858647	/nfs/dbraw/zinc/85/86/47/436858647.db2.gz	JIQVORVHYLDCOT-GFCCVEGCSA-N	1	0	330.392	0.314	40	0		ECABRO
CS(=O)(=O)N1CCC([NH+]2CCC3(CC2)OCCC[C@H]3O)CC1	ZINC000257280523	436861996	/nfs/dbraw/zinc/86/19/96/436861996.db2.gz	OLFBMDCCLQSOOK-CQSZACIVSA-N	1	0	332.466	0.416	40	0		ECABRO
C[N@@H+]1CCC[C@@](C)(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)C1	ZINC000257294994	436863045	/nfs/dbraw/zinc/86/30/45/436863045.db2.gz	QWNOYVYCQPISOW-SJORKVTESA-N	1	0	325.453	0.014	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2cccc(OCCO)c2)CC[N@H+](C)C1	ZINC000257301832	436865725	/nfs/dbraw/zinc/86/57/25/436865725.db2.gz	SACZWFULWZCIJD-MRXNPFEDSA-N	1	0	335.448	0.510	40	0		ECABRO
C[N@H+](CC(=O)NC[C@@]1(O)CCN(c2cnccn2)C1)C1CCCC1	ZINC000257302100	436866252	/nfs/dbraw/zinc/86/62/52/436866252.db2.gz	SBNVHWKUZHYDCG-KRWDZBQOSA-N	1	0	333.436	0.408	40	0		ECABRO
Cc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CO[C@@H]2CNS(C)(=O)=O)C1	ZINC000252023400	436831791	/nfs/dbraw/zinc/83/17/91/436831791.db2.gz	ZYPRUWRLHZZJFC-UMVBOHGHSA-N	1	0	343.449	0.678	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cn(C)c3ccccc23)CC[N@H+](C)C1	ZINC000257338001	436874947	/nfs/dbraw/zinc/87/49/47/436874947.db2.gz	YVKACQMPPNUYRZ-CYBMUJFWSA-N	1	0	328.416	0.928	40	0		ECABRO
Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)c[nH]1	ZINC000585104895	439629037	/nfs/dbraw/zinc/62/90/37/439629037.db2.gz	WGJZFGONSUUICW-CABCVRRESA-N	1	0	348.447	0.796	40	0		ECABRO
Cn1ncnc1C(=O)N1CCC2(CO[C@@H](C[NH+]3CCCC3)C2)CC1	ZINC000585104210	439629315	/nfs/dbraw/zinc/62/93/15/439629315.db2.gz	MWFRJGDYJAVKEW-CQSZACIVSA-N	1	0	333.436	0.922	40	0		ECABRO
Cc1nc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@H](O)C4)C3)CC2)c[nH]1	ZINC000585104896	439629576	/nfs/dbraw/zinc/62/95/76/439629576.db2.gz	WGJZFGONSUUICW-GJZGRUSLSA-N	1	0	348.447	0.796	40	0		ECABRO
CN1CCN([C@@H]2C[N@H+](Cc3ccc(OCCCO)cc3)C[C@@H]2O)CC1	ZINC000585269907	439636466	/nfs/dbraw/zinc/63/64/66/439636466.db2.gz	PRWLMEXVNYDZIG-MOPGFXCFSA-N	1	0	349.475	0.240	40	0		ECABRO
CCOC(=O)N1CCC(O)(C[N@H+](C)[C@]2(C)CCS(=O)(=O)C2)CC1	ZINC000585283290	439640214	/nfs/dbraw/zinc/64/02/14/439640214.db2.gz	MVPXLRFWZKMSKP-CQSZACIVSA-N	1	0	348.465	0.479	40	0		ECABRO
Cc1ccccc1C(=O)N1CCC([N@@H+](C)[C@@H]2COC[C@@H](O)[C@H]2O)CC1	ZINC000585287898	439640270	/nfs/dbraw/zinc/64/02/70/439640270.db2.gz	GVNZHGWAQKCHGA-KURKYZTESA-N	1	0	348.443	0.652	40	0		ECABRO
CCN(Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585292247	439641145	/nfs/dbraw/zinc/64/11/45/439641145.db2.gz	ZKBITMIJSSBSPB-ZACQAIPSSA-N	1	0	335.379	0.954	40	0		ECABRO
Cc1cccc(C(=O)N2CCC([N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1	ZINC000585288396	439641957	/nfs/dbraw/zinc/64/19/57/439641957.db2.gz	ZKYIDVGIFNENTK-KURKYZTESA-N	1	0	348.443	0.652	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1CSC2(CN(C(=O)CC[NH+](C)C)C2)C1	ZINC000585093557	439627464	/nfs/dbraw/zinc/62/74/64/439627464.db2.gz	CNGSLWDESDNXTD-LBPRGKRZSA-N	1	0	329.466	0.129	40	0		ECABRO
Cc1cc(CN2CC3(C2)C[C@@H](COCC(=O)N(C)C)C[N@@H+]3C)[nH]n1	ZINC000585093761	439627937	/nfs/dbraw/zinc/62/79/37/439627937.db2.gz	CYQRPORRLCTEOT-CQSZACIVSA-N	1	0	335.452	0.329	40	0		ECABRO
CCS(=O)(=O)N1CCc2c(nc([C@H]3CCC[NH2+]3)nc2NC)C1	ZINC000019708620	202017134	/nfs/dbraw/zinc/01/71/34/202017134.db2.gz	SAVVPSBEWLWDKA-LLVKDONJSA-N	1	0	325.438	0.651	40	0		ECABRO
CC1CC[NH+]([C@H]2[C@@H](CNC(=O)c3ccco3)O[C@@H](CO)[C@H]2O)CC1	ZINC000020465984	212135230	/nfs/dbraw/zinc/13/52/30/212135230.db2.gz	SKCGAZXRIRODIZ-FXUDXRNXSA-N	1	0	338.404	0.231	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1ccc2c(c1)CCCC2	ZINC000257234679	244222966	/nfs/dbraw/zinc/22/29/66/244222966.db2.gz	GUQAXBAIKVGTLV-SJORKVTESA-N	1	0	329.444	0.900	40	0		ECABRO
CS(=O)(=O)N1CC[N@H+](CCc2ccc(F)cc2)C[C@H](C(N)=O)C1	ZINC000257256960	244283416	/nfs/dbraw/zinc/28/34/16/244283416.db2.gz	KNNQWJCVUSYAFF-ZDUSSCGKSA-N	1	0	343.424	0.047	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CC[N@H+](C)C1	ZINC000257256749	244284141	/nfs/dbraw/zinc/28/41/41/244284141.db2.gz	KMTBYPRAKBUKQS-CYBMUJFWSA-N	1	0	346.431	0.416	40	0		ECABRO
CNC(=O)C1CCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1	ZINC000257268063	244366018	/nfs/dbraw/zinc/36/60/18/244366018.db2.gz	MKAXZIWAPAZKJW-UHFFFAOYSA-N	1	0	341.415	0.929	40	0		ECABRO
O=C(CO)N1CCC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257299577	244459076	/nfs/dbraw/zinc/45/90/76/244459076.db2.gz	RQQHAFVWNXJEAI-LJQANCHMSA-N	1	0	347.459	0.545	40	0		ECABRO
Cn1nccc1C[NH+]1CCC2(CC1)C[C@@H](NS(C)(=O)=O)CCO2	ZINC000108526064	204265435	/nfs/dbraw/zinc/26/54/35/204265435.db2.gz	JMGFGGBOUORYAZ-ZDUSSCGKSA-N	1	0	342.465	0.483	40	0		ECABRO
COCCC(=O)N1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096073999	292271176	/nfs/dbraw/zinc/27/11/76/292271176.db2.gz	BFENYVVZPMMPBM-GOSISDBHSA-N	1	0	337.464	0.960	40	0		ECABRO
CCS(=O)(=O)N1CCC2(C[C@H]([NH+]3CCN(C)CC3)CO2)CC1	ZINC000096048870	280011965	/nfs/dbraw/zinc/01/19/65/280011965.db2.gz	KSRZSOFRJXBRSU-AWEZNQCLSA-N	1	0	331.482	0.207	40	0		ECABRO
CN(C)C(=O)Cn1cc2c(n1)[C@H](C[NH2+]Cc1ccncc1)OCC2	ZINC000096059734	288973080	/nfs/dbraw/zinc/97/30/80/288973080.db2.gz	WMTTYQYFQFTFLI-HNNXBMFYSA-N	1	0	329.404	0.770	40	0		ECABRO
CNc1cc(CN(C)S(=O)(=O)N(C)C)nc([C@H]2CCC[NH2+]2)n1	ZINC000019760716	436107911	/nfs/dbraw/zinc/10/79/11/436107911.db2.gz	RVGVCNOQUQJQSN-LLVKDONJSA-N	1	0	328.442	0.181	40	0		ECABRO
CN(CC[NH+]1CCCCC1)C(=O)c1cnc(N2CCOCC2)nc1	ZINC000019717597	436108260	/nfs/dbraw/zinc/10/82/60/436108260.db2.gz	QMAQEACDSWVRCY-UHFFFAOYSA-N	1	0	333.436	0.871	40	0		ECABRO
COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1scnc1C)C2	ZINC000096108408	436513994	/nfs/dbraw/zinc/51/39/94/436513994.db2.gz	ZWZDSWYRZCZDBA-DOMZBBRYSA-N	1	0	325.434	0.663	40	0		ECABRO
C[NH+](C)CCO[C@H]1CN(S(=O)(=O)c2ccccc2)[C@@H]2COC[C@H]12	ZINC000096184994	436520109	/nfs/dbraw/zinc/52/01/09/436520109.db2.gz	SYROHTFDEZUEOM-XHSDSOJGSA-N	1	0	340.445	0.653	40	0		ECABRO
CCS(=O)(=O)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2C(C)C)C1	ZINC000096185642	436520156	/nfs/dbraw/zinc/52/01/56/436520156.db2.gz	WRAVQLPEEXLONF-ILXRZTDVSA-N	1	0	341.481	0.801	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2ccccn2)C3)cn1	ZINC000096199176	436522050	/nfs/dbraw/zinc/52/20/50/436522050.db2.gz	DZKAJNCDSODZML-CQSZACIVSA-N	1	0	325.376	0.762	40	0		ECABRO
CC(C)NC(=O)N1Cc2nccn2C[C@@H](C[NH+]2CCN(C)CC2)C1	ZINC000096067039	436510429	/nfs/dbraw/zinc/51/04/29/436510429.db2.gz	LRJXDMPZRBVBQS-OAHLLOKOSA-N	1	0	334.468	0.680	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2cscn2)C3)CC1	ZINC000096070114	436510812	/nfs/dbraw/zinc/51/08/12/436510812.db2.gz	ATASMZFTKLCJPQ-UHFFFAOYSA-N	1	0	346.460	0.743	40	0		ECABRO
C[NH+](C)CCN1CC[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1=O	ZINC000096073957	436511019	/nfs/dbraw/zinc/51/10/19/436511019.db2.gz	HXIGSJMTTVUQMC-QGZVFWFLSA-N	1	0	331.420	0.493	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)cn1	ZINC000096219446	436524175	/nfs/dbraw/zinc/52/41/75/436524175.db2.gz	GVUVCUBSHDFIEP-IXDOHACOSA-N	1	0	341.415	0.578	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(CCOC[C@H]3NS(C)(=O)=O)CC2)cn1	ZINC000096216994	436525216	/nfs/dbraw/zinc/52/52/16/436525216.db2.gz	ZFUWKQZINMYLIU-CQSZACIVSA-N	1	0	342.465	0.340	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@]2(C[C@@H](C[N@H+](C)C(C)C)CO2)C1	ZINC000107738728	436614081	/nfs/dbraw/zinc/61/40/81/436614081.db2.gz	SIZHIPXARBTAOB-GJZGRUSLSA-N	1	0	334.482	0.784	40	0		ECABRO
Cn1c2ccc(S(=O)(=O)NCCC[NH+](C)C)cc2sc1=O	ZINC000225676807	436712911	/nfs/dbraw/zinc/71/29/11/436712911.db2.gz	AYPCOOBFHNLCSL-UHFFFAOYSA-N	1	0	329.447	0.830	40	0		ECABRO
C(CN1CCOCC1)OC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2[C@H]2CCOC2)O1	ZINC000247899414	436798515	/nfs/dbraw/zinc/79/85/15/436798515.db2.gz	VNUKIGKABVFRSG-XSLAGTTESA-N	1	0	340.464	0.746	40	0		ECABRO
CN(C)c1cc(C[C@@H]2COCC[N@H+](Cc3cnn(C)c3)C2)ncn1	ZINC000257282599	436861197	/nfs/dbraw/zinc/86/11/97/436861197.db2.gz	OULIQVPHJIXMGW-AWEZNQCLSA-N	1	0	330.436	0.967	40	0		ECABRO
C[N@@H+]1CCN(C(=O)c2ccnc(N3CCCC3)c2)C[C@H](C(N)=O)C1	ZINC000257289935	436863528	/nfs/dbraw/zinc/86/35/28/436863528.db2.gz	QAVTZSGYRMHZPG-CQSZACIVSA-N	1	0	331.420	0.171	40	0		ECABRO
C[N@@H+]1CCCC[C@@H]2[C@H]1CCCN2C(=O)CCCN1C(=O)CNC1=O	ZINC000257301116	436866535	/nfs/dbraw/zinc/86/65/35/436866535.db2.gz	RXBKXVZNBQBULC-ZIAGYGMSSA-N	1	0	336.436	0.794	40	0		ECABRO
C[NH+](C)[C@H]1CN(Cc2ccc(OCCN3CCOCC3)cc2)C[C@@H]1O	ZINC000257338593	436874858	/nfs/dbraw/zinc/87/48/58/436874858.db2.gz	YYCPGTBXEJMDGV-OALUTQOASA-N	1	0	349.475	0.504	40	0		ECABRO
Cn1cc(CN2CC[C@@]3(C2)CN(S(C)(=O)=O)c2cccnc23)cn1	ZINC000306127013	437165271	/nfs/dbraw/zinc/16/52/71/437165271.db2.gz	FLKRFDGMSUBVBG-MRXNPFEDSA-N	1	0	347.444	0.738	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2ccccn2)n1	ZINC000329026691	437305552	/nfs/dbraw/zinc/30/55/52/437305552.db2.gz	POOGPSWEYBREBD-CQSZACIVSA-N	1	0	342.447	0.947	40	0		ECABRO
Cc1nc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](O)C4)C3)CC2)c[nH]1	ZINC000585104897	439629339	/nfs/dbraw/zinc/62/93/39/439629339.db2.gz	WGJZFGONSUUICW-HUUCEWRRSA-N	1	0	348.447	0.796	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC(O)(Cn2cnc3ccccc3c2=O)CC1	ZINC000012325452	201838329	/nfs/dbraw/zinc/83/83/29/201838329.db2.gz	TYASKSWLWYPSKK-UHFFFAOYSA-N	1	0	344.415	0.312	40	0		ECABRO
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CN(CC(=O)N1CCCC1)CC2	ZINC000019711546	202016669	/nfs/dbraw/zinc/01/66/69/202016669.db2.gz	NORXZXSSBGVILI-HNNXBMFYSA-N	1	0	344.463	0.923	40	0		ECABRO
Cc1cc(N2CC[C@@](O)(CNC(=O)C[NH+]3CCC(C)CC3)C2)ncn1	ZINC000257216650	244171564	/nfs/dbraw/zinc/17/15/64/244171564.db2.gz	CVNOVLCFQYUSPY-GOSISDBHSA-N	1	0	347.463	0.574	40	0		ECABRO
Cc1cc(Nc2ncccn2)nc([C@H]2CCCN(C(=O)C[NH3+])C2)n1	ZINC000072360882	203206613	/nfs/dbraw/zinc/20/66/13/203206613.db2.gz	XXAPHKOYYHJOLV-LBPRGKRZSA-N	1	0	327.392	0.983	40	0		ECABRO
C[NH+](C)CC(=O)N1C[C@@H]2OCC(=O)N(CCc3ccccc3)[C@H]2C1	ZINC000257277622	244396985	/nfs/dbraw/zinc/39/69/85/244396985.db2.gz	NYTHKMUEBAVTEU-HOTGVXAUSA-N	1	0	331.416	0.229	40	0		ECABRO
CN(C)c1cc(C[C@H]2COCC[N@H+](Cc3cnn(C)c3)C2)ncn1	ZINC000257282600	244412583	/nfs/dbraw/zinc/41/25/83/244412583.db2.gz	OULIQVPHJIXMGW-CQSZACIVSA-N	1	0	330.436	0.967	40	0		ECABRO
CC(C)NC(=O)[C@H]1Cn2ccnc2C2(CC[NH+]([C@@H]3CCOC3)CC2)O1	ZINC000096243668	273539673	/nfs/dbraw/zinc/53/96/73/273539673.db2.gz	QICGVQNMWBMJQI-HUUCEWRRSA-N	1	0	348.447	0.887	40	0		ECABRO
CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NC(=O)NC2CCCCC2)[C@@H]1O	ZINC000012483696	279169523	/nfs/dbraw/zinc/16/95/23/279169523.db2.gz	SQLANPICMNRFQX-DGXTUMSLSA-N	1	0	341.452	0.813	40	0	biogenic,in-vitro	ECABRO
CC(C)[C@H]([NH3+])C(=O)N1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1	ZINC000012366433	280273219	/nfs/dbraw/zinc/27/32/19/280273219.db2.gz	RPSDDDUHCQNFCQ-GLJUWKHASA-N	1	0	329.400	0.813	40	0		ECABRO
Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)C(C)C)CC2)[nH+]1	ZINC000004967505	435983713	/nfs/dbraw/zinc/98/37/13/435983713.db2.gz	RUVBPKLUBCJKIO-UHFFFAOYSA-N	1	0	333.436	0.926	40	0		ECABRO
C[C@]12CN(C(=O)[C@H]3CCC[NH2+]3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2	ZINC000012337903	436050943	/nfs/dbraw/zinc/05/09/43/436050943.db2.gz	XTLNUKRRXLQUDM-WRSAYESZSA-N	1	0	342.399	0.338	40	0		ECABRO
C[C@H](C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2)N1CCOCC1	ZINC000019078810	436105732	/nfs/dbraw/zinc/10/57/32/436105732.db2.gz	FRZSXXOOYYVGBR-CZUORRHYSA-N	1	0	345.447	0.507	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2nccs2)C1	ZINC000096188834	436522103	/nfs/dbraw/zinc/52/21/03/436522103.db2.gz	WEPOINMIDLPZDH-ZDUSSCGKSA-N	1	0	348.476	0.649	40	0		ECABRO
C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCN(c4ncccn4)C[C@H]3O2)CC1	ZINC000096042773	436504766	/nfs/dbraw/zinc/50/47/66/436504766.db2.gz	VPTDWWHIDQVMQD-NUEKZKHPSA-N	1	0	345.447	0.671	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2	ZINC000096063140	436509295	/nfs/dbraw/zinc/50/92/95/436509295.db2.gz	VOXJGFCIUSPOOC-UHFFFAOYSA-N	1	0	346.431	0.363	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3ccnnc3)C2)cn1	ZINC000096215045	436524407	/nfs/dbraw/zinc/52/44/07/436524407.db2.gz	DJRGYVXYOINLAA-WBVHZDCISA-N	1	0	342.403	0.089	40	0		ECABRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(S(=O)(=O)N(C)C)C2	ZINC000096216488	436525368	/nfs/dbraw/zinc/52/53/68/436525368.db2.gz	OOIBGHBIXHXKFO-LSDHHAIUSA-N	1	0	331.482	0.473	40	0		ECABRO
[NH3+][C@@H]1CCN(c2nccn3c(=O)n(Cc4cccc(F)c4)nc23)C1	ZINC000096530695	436534665	/nfs/dbraw/zinc/53/46/65/436534665.db2.gz	RWGVHHCMZDUWJG-CYBMUJFWSA-N	1	0	328.351	0.616	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@@]2(C[C@@H](C[N@H+](C)C(C)C)CO2)C1	ZINC000107738725	436614455	/nfs/dbraw/zinc/61/44/55/436614455.db2.gz	SIZHIPXARBTAOB-LSDHHAIUSA-N	1	0	334.482	0.784	40	0		ECABRO
O=C(CN1CCCC1=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257252706	436862208	/nfs/dbraw/zinc/86/22/08/436862208.db2.gz	JVUFQZBUFDSSKW-HNNXBMFYSA-N	1	0	345.390	0.303	40	0		ECABRO
CC(=O)N1CC[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H](C(N)=O)C1	ZINC000257300312	436866146	/nfs/dbraw/zinc/86/61/46/436866146.db2.gz	RTUNFCDAAKFMMR-CQSZACIVSA-N	1	0	333.388	0.223	40	0		ECABRO
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@@](O)(C[NH+]2CCN(C)CC2)C1	ZINC000257313124	436869588	/nfs/dbraw/zinc/86/95/88/436869588.db2.gz	URDCYCBWOVJHSE-GOSISDBHSA-N	1	0	349.479	0.170	40	0		ECABRO
COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)CO)CC2)cc1	ZINC000257343418	436877693	/nfs/dbraw/zinc/87/76/93/436877693.db2.gz	ZSXKBBNNAONXNX-GOSISDBHSA-N	1	0	336.432	0.863	40	0		ECABRO
CNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccncc2)n1	ZINC000328958450	437292389	/nfs/dbraw/zinc/29/23/89/437292389.db2.gz	AOMCYBSZRDAVNV-UHFFFAOYSA-N	1	0	327.436	0.083	40	0		ECABRO
CC(C)(C)OC(=O)N1CCN(C(=O)CC2(O)CC[NH2+]CC2)CC1	ZINC000575624088	438752016	/nfs/dbraw/zinc/75/20/16/438752016.db2.gz	CSJRTRBFQKZJRD-UHFFFAOYSA-N	1	0	327.425	0.570	40	0		ECABRO
COc1ccc(CN2CC3(C2)CN(C(C)=O)C[C@H]2C[C@@H](O)CN23)cc1	ZINC000514289791	438813106	/nfs/dbraw/zinc/81/31/06/438813106.db2.gz	OPSLHBOCUDJICD-IAGOWNOFSA-N	1	0	345.443	0.547	40	0	biogenic,in-vitro	ECABRO
Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3ccccn3)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382132	439312706	/nfs/dbraw/zinc/31/27/06/439312706.db2.gz	GTNASQSTWXZAIQ-BRSBDYLESA-N	1	0	328.416	0.870	40	0	biogenic,in-vitro	ECABRO
CC(C)C(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCOCC3)C2)C1	ZINC000604382011	439311424	/nfs/dbraw/zinc/31/14/24/439311424.db2.gz	YUYLTPUYPVXNOM-MRXNPFEDSA-N	1	0	337.464	0.419	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1C[C@H](COCc2ccncc2)CC12CN(C(=O)C1CC(O)C1)C2	ZINC000585093735	439628438	/nfs/dbraw/zinc/62/84/38/439628438.db2.gz	BBWNFZDJZSRLJS-KLAILNCOSA-N	1	0	345.443	0.902	40	0		ECABRO
O=C(c1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH+]2CCC(CO)CC2)C1	ZINC000585290621	439642104	/nfs/dbraw/zinc/64/21/04/439642104.db2.gz	RFMFOQNIXPYUNP-MJGOQNOKSA-N	1	0	348.443	0.329	40	0		ECABRO
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CCCC2)C1	ZINC000585291196	439642133	/nfs/dbraw/zinc/64/21/33/439642133.db2.gz	LOHBAYYUSSXNTO-CVEARBPZSA-N	1	0	340.445	0.315	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cc4ccccc4[nH]3)C2)CC1	ZINC000257251657	536414990	/nfs/dbraw/zinc/41/49/90/536414990.db2.gz	JRPQBHDWMOPCPA-IBGZPJMESA-N	1	0	342.443	0.992	40	0		ECABRO
CCS(=O)(=O)[C@@H]1[C@H](c2ccc3c(c2)OCO3)[C@]1(C[NH3+])COC	ZINC000242548448	545934762	/nfs/dbraw/zinc/93/47/62/545934762.db2.gz	LLXSNSPNPDJJQN-ZNMIVQPWSA-N	1	0	327.402	0.907	40	0		ECABRO
Cc1ccc(S(=O)(=O)NC2=NCN(CC[NH+](C)C)CN2)cc1	ZINC000030874771	202200463	/nfs/dbraw/zinc/20/04/63/202200463.db2.gz	LCZOLIHSKGDESA-UHFFFAOYSA-N	1	0	325.438	0.011	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cccc3cccnc32)CC[N@H+](C)C1	ZINC000257232688	244219004	/nfs/dbraw/zinc/21/90/04/244219004.db2.gz	GLYQJQMMJOSCOD-CQSZACIVSA-N	1	0	326.400	0.985	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCOC[C@@H]2CCc2cnccn2)CC1	ZINC000257267664	244368118	/nfs/dbraw/zinc/36/81/18/244368118.db2.gz	MIGUBNYZESAPCD-KRWDZBQOSA-N	1	0	347.463	0.274	40	0		ECABRO
Nc1cc(CC[C@@H]2CN(C(=O)CCN3CCCC3=O)CCO2)cc[nH+]1	ZINC000257268400	244368302	/nfs/dbraw/zinc/36/83/02/244368302.db2.gz	MLMYGOOVWIHCRE-OAHLLOKOSA-N	1	0	346.431	0.836	40	0		ECABRO
O=C(Cn1nc2ccccc2n1)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257300270	244461905	/nfs/dbraw/zinc/46/19/05/244461905.db2.gz	RTROTGKGZUSJHR-KRWDZBQOSA-N	1	0	329.404	0.491	40	0		ECABRO
CC1(C)O[C@@H]2CO[C@H](C[NH2+]C[C@@H]3OC[C@H]4OC(C)(C)O[C@H]43)[C@H]2O1	ZINC000004963563	278417643	/nfs/dbraw/zinc/41/76/43/278417643.db2.gz	JWWJZLQBXPIMDY-LEZGYBIHSA-N	1	0	329.393	0.414	40	0		ECABRO
CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@@H]3CCOC3)C2)CC1	ZINC000096188537	290046958	/nfs/dbraw/zinc/04/69/58/290046958.db2.gz	GLEVNPSKTIISFW-DLBZAZTESA-N	1	0	333.480	0.599	40	0		ECABRO
COC(=O)C1[C@@H](c2ccc(NC(C)=O)cc2)[C@H](C(=O)OC)O[N+]1=O	ZINC000001590416	435958132	/nfs/dbraw/zinc/95/81/32/435958132.db2.gz	CVGQQXQYESYBBF-DGCLKSJQSA-N	1	0	336.300	0.340	40	0		ECABRO
O=C1NCCCC12CC[NH+](Cc1cnc(N3CCOCC3)nc1)CC2	ZINC000012227169	436048884	/nfs/dbraw/zinc/04/88/84/436048884.db2.gz	ZZWLGSIPAHBGAQ-UHFFFAOYSA-N	1	0	345.447	0.805	40	0		ECABRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)C2CC=CC2)CC3)CC1	ZINC000096197323	436522020	/nfs/dbraw/zinc/52/20/20/436522020.db2.gz	WJJULRNXXXBADQ-UHFFFAOYSA-N	1	0	329.448	0.939	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCOC2)C1	ZINC000096066823	436508209	/nfs/dbraw/zinc/50/82/09/436508209.db2.gz	HQCZBGBQIVJGAH-LSDHHAIUSA-N	1	0	336.436	0.456	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@@]3(C2)CN(c2cccnc2)C(=O)CN3C)cn1	ZINC000096077241	436509448	/nfs/dbraw/zinc/50/94/48/436509448.db2.gz	GYPNLGDPSGCFHR-GOSISDBHSA-N	1	0	340.431	0.738	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3C[C@H](CC(=O)N4CCCCO4)O[C@@H]3C2)cn1	ZINC000096219192	436525106	/nfs/dbraw/zinc/52/51/06/436525106.db2.gz	WKNXZTQTZSCMAM-ARFHVFGLSA-N	1	0	334.420	0.954	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4ccco4)[C@H]3C2)cn1	ZINC000096215715	436525531	/nfs/dbraw/zinc/52/55/31/436525531.db2.gz	YEWBDABAFHAVPD-OWCLPIDISA-N	1	0	330.388	0.776	40	0		ECABRO
OCC[N@@H+]1CCOC[C@]2(C[C@@H](CNc3ncccc3F)CO2)C1	ZINC000096240677	436527195	/nfs/dbraw/zinc/52/71/95/436527195.db2.gz	XZUUDMUKLDTOSQ-BBRMVZONSA-N	1	0	325.384	0.732	40	0		ECABRO
CCc1cnc(N2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)nc1	ZINC000096253149	436528680	/nfs/dbraw/zinc/52/86/80/436528680.db2.gz	VUVQFWIBEFHUQP-QLFBSQMISA-N	1	0	333.436	0.311	40	0		ECABRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)c3cscn3)CC[C@@H]2C1	ZINC000096249606	436529176	/nfs/dbraw/zinc/52/91/76/436529176.db2.gz	CJIYUGYTIRRJDR-TZMCWYRMSA-N	1	0	325.434	0.952	40	0		ECABRO
COCCN1C(C)=N[C@@]2(CC[C@@H]3C[N@H+](CC(=O)N(C)C)C[C@@H]32)C1=O	ZINC000096261523	436529243	/nfs/dbraw/zinc/52/92/43/436529243.db2.gz	DNTRPHAJKXTBFS-JKIFEVAISA-N	1	0	336.436	0.062	40	0		ECABRO
O=C(N[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O)c1cnc[nH]1	ZINC000257334035	436874463	/nfs/dbraw/zinc/87/44/63/436874463.db2.gz	YEGCVUDBRTYHAF-HZPDHXFCSA-N	1	0	325.372	0.866	40	0		ECABRO
COc1cccc(C(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)c1	ZINC000257285914	436862538	/nfs/dbraw/zinc/86/25/38/436862538.db2.gz	PJKJKMCXYYCAHR-GOSISDBHSA-N	1	0	333.432	0.520	40	0		ECABRO
NC(=O)c1ccc2c(ccn2[C@@H]2CN(C(=O)CCC[NH3+])C[C@H]2O)c1	ZINC000257295611	436864516	/nfs/dbraw/zinc/86/45/16/436864516.db2.gz	QZDKWDJMTXQYGV-HUUCEWRRSA-N	1	0	330.388	0.223	40	0		ECABRO
NC(=O)C1CCN(C(=O)[C@@H]2CN(c3ccc(F)cc3)CC[NH2+]2)CC1	ZINC000257296370	436867111	/nfs/dbraw/zinc/86/71/11/436867111.db2.gz	RCNYSIPOPVNSRS-HNNXBMFYSA-N	1	0	334.395	0.328	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2cncs2)CC[N@@H+](C2CCOCC2)C1	ZINC000257312857	436868378	/nfs/dbraw/zinc/86/83/78/436868378.db2.gz	UPVVCEFRVOULJN-ZDUSSCGKSA-N	1	0	338.477	0.802	40	0		ECABRO
NC(=O)[C@H]1CN(C(=O)CC2CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257325357	436872036	/nfs/dbraw/zinc/87/20/36/436872036.db2.gz	WSPIVXBYARGDSC-OAHLLOKOSA-N	1	0	337.464	0.991	40	0		ECABRO
CN([C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)S(=O)(=O)c1cn(C)cn1	ZINC000257338988	436875679	/nfs/dbraw/zinc/87/56/79/436875679.db2.gz	YZSOUCXEBYSXOW-UMVBOHGHSA-N	1	0	342.465	0.418	40	0		ECABRO
COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)CO)CC2)cc1	ZINC000257343419	436877544	/nfs/dbraw/zinc/87/75/44/436877544.db2.gz	ZSXKBBNNAONXNX-SFHVURJKSA-N	1	0	336.432	0.863	40	0		ECABRO
CN(C)C(=O)COC[C@@H]1C[N@H+](C)C2(CN(c3ncc(F)cn3)C2)C1	ZINC000585093825	439628410	/nfs/dbraw/zinc/62/84/10/439628410.db2.gz	HYZPNFAUYJRDQO-LBPRGKRZSA-N	1	0	337.399	0.231	40	0		ECABRO
CO[C@@H]1CCN(C(C)=O)C[C@H]1CC(=O)N(C)C1CC[NH+](C)CC1	ZINC000585280742	439640113	/nfs/dbraw/zinc/64/01/13/439640113.db2.gz	OHMBXJZDYHCKDY-GDBMZVCRSA-N	1	0	325.453	0.813	40	0		ECABRO
O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCNC[C@@H]1c1ccncc1	ZINC000333353782	320916120	/nfs/dbraw/zinc/91/61/20/320916120.db2.gz	BQHDKFTVNGJSTJ-GOEBONIOSA-N	1	0	341.419	0.384	40	0		ECABRO
CC(C)[NH+]1CCN(CC(=O)N2CCO[C@@H](c3cnccn3)C2)CC1	ZINC000257232168	535196380	/nfs/dbraw/zinc/19/63/80/535196380.db2.gz	GJRVVGYSBXDRIP-MRXNPFEDSA-N	1	0	333.436	0.403	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1cccnc1)C2	ZINC000096060680	282109222	/nfs/dbraw/zinc/10/92/22/282109222.db2.gz	ADBZNVALSBNNTK-CQSZACIVSA-N	1	0	344.419	0.528	40	0		ECABRO
CNc1nc(C2CC[NH+](C)CC2)nc2c1CN(C(=O)COC)CC2	ZINC000019711079	202016719	/nfs/dbraw/zinc/01/67/19/202016719.db2.gz	MIMDJZCLNNVBSV-UHFFFAOYSA-N	1	0	333.436	0.859	40	0		ECABRO
O=C(c1ccnc(N2CCCC2)c1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257218046	244172837	/nfs/dbraw/zinc/17/28/37/244172837.db2.gz	DBQHXCANKSFRAU-HZPDHXFCSA-N	1	0	330.432	0.963	40	0		ECABRO
CNc1nc([C@H]2CCCN2S(=O)(=O)N(C)C)nc2c1C[NH2+]CC2	ZINC000072372209	203208435	/nfs/dbraw/zinc/20/84/35/203208435.db2.gz	MASLVDNCAUZEED-GFCCVEGCSA-N	1	0	340.453	0.107	40	0		ECABRO
COCCC(=O)NCCn1nc([C@H]2CC[N@H+](C)C2)c2nccnc21	ZINC000072391658	203213449	/nfs/dbraw/zinc/21/34/49/203213449.db2.gz	NCQTUAVAZCAUEI-LBPRGKRZSA-N	1	0	332.408	0.398	40	0		ECABRO
CC(=O)NCc1cnn(-c2ccccc2C(=O)NCC[NH+](C)C)c1	ZINC000257254938	244279996	/nfs/dbraw/zinc/27/99/96/244279996.db2.gz	KFJJBJTWOCDRAE-UHFFFAOYSA-N	1	0	329.404	0.800	40	0		ECABRO
COCCNC(=O)[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)[C@@H]2CCO[C@@H]21	ZINC000108527329	204266259	/nfs/dbraw/zinc/26/62/59/204266259.db2.gz	BRSIDMVAEUCJOR-LZLYRXPVSA-N	1	0	346.427	0.973	40	0		ECABRO
COc1ccc([C@H]2COc3c(CN4CC[NH2+]CC4)nnn3C2)cc1	ZINC000263616833	254512816	/nfs/dbraw/zinc/51/28/16/254512816.db2.gz	KTPKQGWBMWKMAB-CQSZACIVSA-N	1	0	329.404	0.868	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@@H]2CCCO2)cc(-c2ccccn2)n1	ZINC000329026689	257904363	/nfs/dbraw/zinc/90/43/63/257904363.db2.gz	POOGPSWEYBREBD-AWEZNQCLSA-N	1	0	342.447	0.947	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O	ZINC000218070345	285955192	/nfs/dbraw/zinc/95/51/92/285955192.db2.gz	PFDNRDUVVJRKFR-VNHYZAJKSA-N	1	0	327.402	0.714	40	0		ECABRO
Cc1cc(C(F)(F)F)nn1CCc1noc(C(=O)NCC[NH3+])n1	ZINC000012398420	436051969	/nfs/dbraw/zinc/05/19/69/436051969.db2.gz	IAQSCAXHRJVAEU-UHFFFAOYSA-N	1	0	332.286	0.525	40	0		ECABRO
CC(=O)N[C@]12C[NH2+]C[C@H]1CN(S(=O)(=O)c1ccc(C)cc1)CC2	ZINC000019713052	436109169	/nfs/dbraw/zinc/10/91/69/436109169.db2.gz	LAXYZBNUERMXKD-GOEBONIOSA-N	1	0	337.445	0.484	40	0		ECABRO
Cc1cc(C[N@@H+]2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)no1	ZINC000096040845	436504460	/nfs/dbraw/zinc/50/44/60/436504460.db2.gz	WGTSWGXFMYKMHX-INMHGKMJSA-N	1	0	349.431	0.926	40	0		ECABRO
COCCNC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1nccs1)C2	ZINC000096038698	436504607	/nfs/dbraw/zinc/50/46/07/436504607.db2.gz	LLYSQDQVQBLOJE-IUODEOHRSA-N	1	0	325.434	0.887	40	0		ECABRO
CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3ccccn3)CC2)O1	ZINC000096036752	436504623	/nfs/dbraw/zinc/50/46/23/436504623.db2.gz	WYOZETOYDDMHIF-OAHLLOKOSA-N	1	0	341.415	0.914	40	0		ECABRO
C[NH+](C)CC(=O)NC[C@H]1OCCc2cn(CC3CCOCC3)nc21	ZINC000096044436	436504777	/nfs/dbraw/zinc/50/47/77/436504777.db2.gz	JPBIHVYKOZIMHY-OAHLLOKOSA-N	1	0	336.436	0.601	40	0		ECABRO
COCC[N@@H+]1C[C@H]2[C@@H](C1)N(C(=O)c1cccnc1OC)CC[C@H]2OC	ZINC000096218679	436524553	/nfs/dbraw/zinc/52/45/53/436524553.db2.gz	FSAXPLLSTFAXLU-ARFHVFGLSA-N	1	0	349.431	0.898	40	0		ECABRO
CS(=O)(=O)N[C@@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000096224815	436525384	/nfs/dbraw/zinc/52/53/84/436525384.db2.gz	IQZSDKDOHJIXQO-AWEZNQCLSA-N	1	0	325.434	0.754	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](C(=O)NCc4cccnc4)[C@H]3C2)cn1	ZINC000096219438	436525411	/nfs/dbraw/zinc/52/54/11/436525411.db2.gz	QIHHXDCABXUIPG-IXDOHACOSA-N	1	0	341.415	0.578	40	0		ECABRO
O=C(c1cnccn1)N1CCOC[C@@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096240654	436526021	/nfs/dbraw/zinc/52/60/21/436526021.db2.gz	QJJQJKFLPYREBR-CRAIPNDOSA-N	1	0	346.431	0.820	40	0		ECABRO
C[NH+](C)CCN1C(=O)CO[C@@H]2CN(C(=O)COc3ccccc3)C[C@H]21	ZINC000096246290	436527659	/nfs/dbraw/zinc/52/76/59/436527659.db2.gz	OIPKGFLOVOAOBQ-HZPDHXFCSA-N	1	0	347.415	0.065	40	0		ECABRO
CN(C)c1nc(N2CCOCC2)nc2c1C[N@@H+](C1CCOCC1)CC2	ZINC000096254023	436527789	/nfs/dbraw/zinc/52/77/89/436527789.db2.gz	GNTLKIBPQGAJPF-UHFFFAOYSA-N	1	0	347.463	0.916	40	0		ECABRO
CS(=O)(=O)N1CCO[C@@H]2CC[N@H+](Cc3cccnc3)CC[C@@H]21	ZINC000096249464	436528093	/nfs/dbraw/zinc/52/80/93/436528093.db2.gz	IFXZPSOLIOEHGS-LSDHHAIUSA-N	1	0	325.434	0.706	40	0		ECABRO
CS(=O)(=O)NCc1noc2c1CN(CC[NH+]1CCCC1)CC2	ZINC000096259750	436528614	/nfs/dbraw/zinc/52/86/14/436528614.db2.gz	GAVDPSGFNLBRJM-UHFFFAOYSA-N	1	0	328.438	0.178	40	0		ECABRO
CN(c1cccc(NC(=S)NCC[NH+](C)C)c1)S(C)(=O)=O	ZINC000225403729	436710480	/nfs/dbraw/zinc/71/04/80/436710480.db2.gz	BIOUJUJTVSZNOZ-UHFFFAOYSA-N	1	0	330.479	0.930	40	0		ECABRO
CC(C)C[NH2+][C@@H]1C[C@H](Cn2cc(-c3cccnc3)nn2)[C@@H](O)[C@H]1O	ZINC000225501013	436711075	/nfs/dbraw/zinc/71/10/75/436711075.db2.gz	FTZSWRMLWFUNCF-SRABZTEZSA-N	1	0	331.420	0.696	40	0	biogenic,in-vitro	ECABRO
O[C@@H]1[C@@H](Cn2cc(C3CC3)nn2)C[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O	ZINC000225500597	436711171	/nfs/dbraw/zinc/71/11/71/436711171.db2.gz	ODYFAAQDLPHPQH-SRABZTEZSA-N	1	0	329.404	0.451	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1CCN(C(=O)CCN2CCc3ccccc32)C[C@H](C(N)=O)C1	ZINC000257283999	436860941	/nfs/dbraw/zinc/86/09/41/436860941.db2.gz	PAUWPDPEKITQHE-OAHLLOKOSA-N	1	0	330.432	0.315	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3cnn(C)c3)C[C@H]2O)cc1	ZINC000257281415	436861757	/nfs/dbraw/zinc/86/17/57/436861757.db2.gz	OPBWMNVEIFZLLI-IAGOWNOFSA-N	1	0	344.415	0.746	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)CCc3ccccc3F)C2)CC1	ZINC000257288300	436863843	/nfs/dbraw/zinc/86/38/43/436863843.db2.gz	PTRBTDWHMDBUAP-LJQANCHMSA-N	1	0	349.450	0.969	40	0		ECABRO
Cc1cccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)c1	ZINC000257292501	436863981	/nfs/dbraw/zinc/86/39/81/436863981.db2.gz	QLUSYCUHUYWWAR-WBVHZDCISA-N	1	0	347.440	0.789	40	0		ECABRO
CC(=O)N1CCC([N@@H+]2CCOC[C@@H](Cc3cc(=O)[nH]cn3)C2)CC1	ZINC000257310403	436867559	/nfs/dbraw/zinc/86/75/59/436867559.db2.gz	UEYHKSMWQZAOOE-AWEZNQCLSA-N	1	0	334.420	0.684	40	0		ECABRO
COc1cccc(S(=O)(=O)N2CC[C@@](O)(C[NH+]3CCCC3)C2)c1	ZINC000257306544	436868318	/nfs/dbraw/zinc/86/83/18/436868318.db2.gz	SURUDXNCSOIGEP-MRXNPFEDSA-N	1	0	340.445	0.917	40	0		ECABRO
[NH3+]Cc1cn(-c2ccccc2C(=O)NCCCN2CCOCC2)cn1	ZINC000257332953	436873575	/nfs/dbraw/zinc/87/35/75/436873575.db2.gz	XZLGMDMJDWSDAT-UHFFFAOYSA-N	1	0	343.431	0.783	40	0		ECABRO
C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3OCC(=O)N(C)[C@H]3C2)c1	ZINC000257340231	436875730	/nfs/dbraw/zinc/87/57/30/436875730.db2.gz	ZFDNYUVFSFEXSF-HOTGVXAUSA-N	1	0	347.415	0.357	40	0		ECABRO
Cn1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2	ZINC000306138586	437167396	/nfs/dbraw/zinc/16/73/96/437167396.db2.gz	SBCXHRPBBOTFSG-QGZVFWFLSA-N	1	0	346.362	0.256	40	0		ECABRO
O=C(NC[C@H]1CO[C@@H]2C[N@H+](Cc3ccoc3)C[C@H]12)c1cnccn1	ZINC000306138653	437167974	/nfs/dbraw/zinc/16/79/74/437167974.db2.gz	SDPODMHYRKOMAJ-SQWLQELKSA-N	1	0	328.372	0.946	40	0		ECABRO
Cc1ccc(C)c(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)c1	ZINC000575424221	438749421	/nfs/dbraw/zinc/74/94/21/438749421.db2.gz	TZAWVLDPQJLEEY-CYBMUJFWSA-N	1	0	346.474	0.358	40	0		ECABRO
CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)Cc1ccn(C)n1)CCC2	ZINC000585108200	439631121	/nfs/dbraw/zinc/63/11/21/439631121.db2.gz	RQZTVPXMXBUOMC-KDOFPFPSSA-N	1	0	348.447	0.696	40	0		ECABRO
CO[C@@H]1CC[N@H+](CC2(O)CCOCC2)C[C@H]1CC(=O)N1CCCC1	ZINC000585275705	439636822	/nfs/dbraw/zinc/63/68/22/439636822.db2.gz	DRQZQJWXQIGEPG-HZPDHXFCSA-N	1	0	340.464	0.877	40	0		ECABRO
C[NH+](C)CCCNC[C@]1(O)CN(C(=O)CCc2ccccc2)C[C@H]1O	ZINC000585291861	439641488	/nfs/dbraw/zinc/64/14/88/439641488.db2.gz	UMIBXGCPNCIRCF-MJGOQNOKSA-N	1	0	349.475	0.095	40	0		ECABRO
O[C@@H]1COC[C@@H](N2CC[NH+](Cc3cccc4[nH]ccc43)CC2)[C@@H]1O	ZINC000585292112	439641710	/nfs/dbraw/zinc/64/17/10/439641710.db2.gz	XSCIDMCGYYHFTI-KURKYZTESA-N	1	0	331.416	0.406	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCO[C@H](c3cccc(NC)n3)C2)CC1	ZINC000257210998	535652600	/nfs/dbraw/zinc/65/26/00/535652600.db2.gz	BXBDSELPQXKLGM-INIZCTEOSA-N	1	0	347.463	0.661	40	0		ECABRO
COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+](C)C)cc1	ZINC000224930459	564044011	/nfs/dbraw/zinc/04/40/11/564044011.db2.gz	PJOKXVHEABFWOW-UHFFFAOYSA-N	1	0	343.449	0.384	40	0		ECABRO
COc1ccccc1C(=O)N1CC[C@H](O)[C@@H]([NH+]2CCN(C)CC2)CC1	ZINC000257239984	244241715	/nfs/dbraw/zinc/24/17/15/244241715.db2.gz	HRQGXDIEKBSMEP-IRXDYDNUSA-N	1	0	347.459	0.908	40	0		ECABRO
OCC(CO)[N@@H+]1CCC[C@H](c2cnc(Nc3ncccn3)cn2)C1	ZINC000072363671	203206484	/nfs/dbraw/zinc/20/64/84/203206484.db2.gz	OWHQRNOPBBGNOW-LBPRGKRZSA-N	1	0	330.392	0.543	40	0		ECABRO
O=C(Cn1cccn1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257250959	244268403	/nfs/dbraw/zinc/26/84/03/244268403.db2.gz	JOTUBDQKDOVJLU-CQSZACIVSA-N	1	0	328.363	0.578	40	0		ECABRO
CC(=O)N1CCC(c2nccnc2CNC(=O)[C@@H]2CCC[N@H+]2C)CC1	ZINC000257271857	244379052	/nfs/dbraw/zinc/37/90/52/244379052.db2.gz	NABRNHVLFXFTQA-INIZCTEOSA-N	1	0	345.447	0.913	40	0		ECABRO
COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)CC(C)(C)C)[C@H]1O	ZINC000514288982	257847030	/nfs/dbraw/zinc/84/70/30/257847030.db2.gz	MILUNPATMACARC-ORIJERBGSA-N	1	0	328.453	0.778	40	0	biogenic,in-vitro	ECABRO
CNC(=O)c1cnn2c1nccc2[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000257216874	277261909	/nfs/dbraw/zinc/26/19/09/277261909.db2.gz	CWLMUNLKENNBKC-CYBMUJFWSA-N	1	0	342.447	0.972	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(S(=O)(=O)C1CC1)CCC2	ZINC000096256051	289170774	/nfs/dbraw/zinc/17/07/74/289170774.db2.gz	XPKTWDKTSIXQSF-UHFFFAOYSA-N	1	0	343.453	0.054	40	0		ECABRO
Cc1cnc(C(=O)N2CCCn3c(=O)cc(C[NH+](C)C)nc3C2)cn1	ZINC000096197540	292873285	/nfs/dbraw/zinc/87/32/85/292873285.db2.gz	KGYZUMACBBMBEZ-UHFFFAOYSA-N	1	0	342.403	0.449	40	0		ECABRO
CCn1cc(C[NH+]2CCC(O)(Cn3nc(C)ccc3=O)CC2)cn1	ZINC000012325317	436049188	/nfs/dbraw/zinc/04/91/88/436049188.db2.gz	IKQLSFQIRXTCGM-UHFFFAOYSA-N	1	0	331.420	0.795	40	0		ECABRO
CCN(C(=O)c1cnc(N2CCOCC2)nc1)C1CC[NH+](C)CC1	ZINC000019657114	436108151	/nfs/dbraw/zinc/10/81/51/436108151.db2.gz	REEMASOPGHYDRP-UHFFFAOYSA-N	1	0	333.436	0.870	40	0		ECABRO
CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)N2CCN(C)CC2)CCCCC1	ZINC000096113088	436514137	/nfs/dbraw/zinc/51/41/37/436514137.db2.gz	GICXOZXOAPDORT-HNNXBMFYSA-N	1	0	336.480	0.674	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CC(=O)N1CCC2(CC1)CN(Cc1ccccn1)CCO2	ZINC000096158849	436518374	/nfs/dbraw/zinc/51/83/74/436518374.db2.gz	FHRRQZXUTMLHNJ-UHFFFAOYSA-N	1	0	332.448	0.837	40	0		ECABRO
Cc1cnc(C(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2cnn(C)c2)cn1	ZINC000096200909	436522663	/nfs/dbraw/zinc/52/26/63/436522663.db2.gz	UMBBGXIKMDWDJH-CVEARBPZSA-N	1	0	328.420	0.906	40	0		ECABRO
CN(C)C(=O)Cn1cc2c(n1)[C@@H](C[NH2+]CC1CCOCC1)OCC2	ZINC000096059737	436507676	/nfs/dbraw/zinc/50/76/76/436507676.db2.gz	KUQHTFIYKAIASA-OAHLLOKOSA-N	1	0	336.436	0.601	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1cccnc1)C2	ZINC000096060675	436508142	/nfs/dbraw/zinc/50/81/42/436508142.db2.gz	FTUMKSYARKXUKP-HNNXBMFYSA-N	1	0	330.436	0.888	40	0		ECABRO
CN(C)C(=O)N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC000096068744	436509924	/nfs/dbraw/zinc/50/99/24/436509924.db2.gz	YEMVKPTYYBLYJS-CQSZACIVSA-N	1	0	336.440	0.508	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3cccnc3)C2)cn1	ZINC000096108508	436513244	/nfs/dbraw/zinc/51/32/44/436513244.db2.gz	ZKRUHPAHCHFDCC-AEFFLSMTSA-N	1	0	341.415	0.694	40	0		ECABRO
CC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)CC[C@@H]2C1	ZINC000096249568	436528078	/nfs/dbraw/zinc/52/80/78/436528078.db2.gz	XSZQLGIJAXLDMO-CHWSQXEVSA-N	1	0	328.438	0.151	40	0		ECABRO
Cc1nc(N)nc(C)c1CCC(=O)N1CCC[C@@](O)(C[NH+](C)C)CC1	ZINC000257287990	436864704	/nfs/dbraw/zinc/86/47/04/436864704.db2.gz	PSHKNVURGRSINN-SFHVURJKSA-N	1	0	349.479	0.913	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3cscn3)CC2)OC[C@]1(C)O	ZINC000257324027	436872627	/nfs/dbraw/zinc/87/26/27/436872627.db2.gz	WMVWSFXTSWPYCX-JSGCOSHPSA-N	1	0	325.434	0.877	40	0		ECABRO
C[NH+]1CCC2(CC1)Cn1c(nnc1C(=O)NCc1ccncc1)CO2	ZINC000306124349	437164954	/nfs/dbraw/zinc/16/49/54/437164954.db2.gz	BNGWSPSWACEVNF-UHFFFAOYSA-N	1	0	342.403	0.598	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2C[C@@H](C[NH+]2CCCC2)C1	ZINC000306142539	437168333	/nfs/dbraw/zinc/16/83/33/437168333.db2.gz	XCMFELGREQPSKP-ZDUSSCGKSA-N	1	0	327.454	0.217	40	0		ECABRO
CC[N@@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1	ZINC000514288777	438811644	/nfs/dbraw/zinc/81/16/44/438811644.db2.gz	DYNPZLAFRGHTCA-DLBZAZTESA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)c3ccccc3)C2)C1	ZINC000514290311	438813876	/nfs/dbraw/zinc/81/38/76/438813876.db2.gz	XANNTKRVKKPKCX-JKSUJKDBSA-N	1	0	329.400	0.179	40	0	biogenic,in-vitro	ECABRO
Cc1noc(C)c1CN1C[C@@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1=O	ZINC000585099321	439629095	/nfs/dbraw/zinc/62/90/95/439629095.db2.gz	DKWLBZZEYLIJBV-KRWDZBQOSA-N	1	0	334.420	0.804	40	0		ECABRO
Cc1nc(CC(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)cs1	ZINC000585178730	439636026	/nfs/dbraw/zinc/63/60/26/439636026.db2.gz	KFIUYKDZHNUDNJ-MRXNPFEDSA-N	1	0	338.477	0.205	40	0		ECABRO
OC[C@@]1(Cc2cccc(F)c2)C[N@H+](CC2(O)CCOCC2)CCO1	ZINC000585277134	439637569	/nfs/dbraw/zinc/63/75/69/439637569.db2.gz	KJJHTCQZDANIBC-GOSISDBHSA-N	1	0	339.407	0.973	40	0		ECABRO
COC[C@]1(CC(N)=O)CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1	ZINC000585276721	439637753	/nfs/dbraw/zinc/63/77/53/439637753.db2.gz	DAZZJVBNSNYJKM-SFHVURJKSA-N	1	0	349.431	0.481	40	0		ECABRO
Cc1cc(C(=O)N2CCC([N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)ccn1	ZINC000585287919	439640089	/nfs/dbraw/zinc/64/00/89/439640089.db2.gz	HYCBJNQHNGVISS-ZACQAIPSSA-N	1	0	349.431	0.047	40	0		ECABRO
CCC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)CC[C@H]1O	ZINC000585289067	439641736	/nfs/dbraw/zinc/64/17/36/439641736.db2.gz	CSLDOKDDPCMJLL-CABCVRRESA-N	1	0	328.434	0.173	40	0		ECABRO
Cc1c(CN2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)[nH]c2ccccc12	ZINC000585292016	439641742	/nfs/dbraw/zinc/64/17/42/439641742.db2.gz	VKQREOYOPLEMCS-QRVBRYPASA-N	1	0	345.443	0.715	40	0		ECABRO
CC(C)[NH2+]C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O	ZINC000585291964	439642245	/nfs/dbraw/zinc/64/22/45/439642245.db2.gz	WGXKZAWBBNUPKK-ZBFHGGJFSA-N	1	0	326.824	0.815	40	0		ECABRO
C[C@H](C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[NH2+]C2)N1CCOCC1	ZINC000019078817	201998867	/nfs/dbraw/zinc/99/88/67/201998867.db2.gz	FRZSXXOOYYVGBR-CJNGLKHVSA-N	1	0	345.447	0.507	40	0		ECABRO
CC1CCN(C(=O)CN2CCc3nnc([C@@H]4CCC[NH2+]4)n3CC2)CC1	ZINC000019706304	202017347	/nfs/dbraw/zinc/01/73/47/202017347.db2.gz	IZIYXFATRPBOKW-HNNXBMFYSA-N	1	0	346.479	0.819	40	0		ECABRO
CCn1cc(C(=O)N2CC[C@H](O)[C@@H]([N@@H+]3CCCN(C)CC3)CC2)cn1	ZINC000257219054	244177550	/nfs/dbraw/zinc/17/75/50/244177550.db2.gz	DFLHNTUXHUSSCN-IRXDYDNUSA-N	1	0	349.479	0.506	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2cnn(C)c2)C1	ZINC000257216611	244170142	/nfs/dbraw/zinc/17/01/42/244170142.db2.gz	CVIWPHAOKHWHPZ-SFHVURJKSA-N	1	0	343.431	0.914	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCn2ncc3ccccc32)C[C@H](C(N)=O)C1	ZINC000257226073	244200654	/nfs/dbraw/zinc/20/06/54/244200654.db2.gz	FJADJRKSDOJJRS-CQSZACIVSA-N	1	0	329.404	0.302	40	0		ECABRO
CNC(=O)[C@@H]1C[N@H+](CCc2ccccc2)CCN1C(=O)CCOC	ZINC000257231947	244216955	/nfs/dbraw/zinc/21/69/55/244216955.db2.gz	GIUVOKBVNOQNFI-INIZCTEOSA-N	1	0	333.432	0.524	40	0		ECABRO
CN(C[C@@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CCCC[NH3+]	ZINC000257230934	244213702	/nfs/dbraw/zinc/21/37/02/244213702.db2.gz	GENOATUIKBIAGJ-SFHVURJKSA-N	1	0	345.447	0.863	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)c3ccnn3C)C[C@H]2O)cc1	ZINC000257232261	244215677	/nfs/dbraw/zinc/21/56/77/244215677.db2.gz	GKANWCITPWAMTN-IAGOWNOFSA-N	1	0	344.415	0.746	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2nccn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257251180	244269681	/nfs/dbraw/zinc/26/96/81/244269681.db2.gz	JPTHHSXWVXSKRU-HNNXBMFYSA-N	1	0	349.479	0.421	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCOC[C@H]2c2cc(=O)[nH]c(C)n2)CC1	ZINC000257258253	244288455	/nfs/dbraw/zinc/28/84/55/244288455.db2.gz	KSZTUFYTRPYSGK-HNNXBMFYSA-N	1	0	349.435	0.028	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(C)(=O)=O	ZINC000252516004	257660052	/nfs/dbraw/zinc/66/00/52/257660052.db2.gz	PFDNRDUVVJRKFR-GZBFAFLISA-N	1	0	327.402	0.714	40	0		ECABRO
CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCc1ccc(OC)cc1	ZINC000298124027	265224852	/nfs/dbraw/zinc/22/48/52/265224852.db2.gz	AMPNOTXKNRIWOF-OAHLLOKOSA-N	1	0	333.432	0.954	40	0		ECABRO
[NH2+]=C1Nc2nc(=O)c3ccccc3n2[C@]2(N1)c1ccccc1NC2=O	ZINC000022241503	295210455	/nfs/dbraw/zinc/21/04/55/295210455.db2.gz	DUSDWEOFXJUITQ-QGZVFWFLSA-N	1	0	332.323	0.790	40	0		ECABRO
O=C(Nc1cnc(N2CC[NH2+]CC2)nc1)N1CCC[C@H](CCO)CC1	ZINC000333321686	297124112	/nfs/dbraw/zinc/12/41/12/297124112.db2.gz	UQBUPSHQSWWBAO-AWEZNQCLSA-N	1	0	348.451	0.903	40	0		ECABRO
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000004373354	435980225	/nfs/dbraw/zinc/98/02/25/435980225.db2.gz	FDMVHHVYOGARCF-NOLJZWGESA-N	1	0	349.431	0.854	40	0		ECABRO
O[C@@H]1[C@@H](N2CCOCC2)[C@@H]2OC[C@@H](O2)[C@H]1[NH2+]Cc1ccc(F)cc1	ZINC000012484075	436051096	/nfs/dbraw/zinc/05/10/96/436051096.db2.gz	FKIQUAFHRSXVON-OVYGPGRDSA-N	1	0	338.379	0.101	40	0	biogenic,in-vitro	ECABRO
Cc1ccc(N([C@@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000013673830	436066254	/nfs/dbraw/zinc/06/62/54/436066254.db2.gz	QWYSBQLRVPFLIN-ZDUSSCGKSA-N	1	0	327.450	0.827	40	0		ECABRO
C[NH+](C)CCCNC(=O)[C@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020492929	436109989	/nfs/dbraw/zinc/10/99/89/436109989.db2.gz	WEGVYJICALSNFB-CQSZACIVSA-N	1	0	341.433	0.282	40	0		ECABRO
CN1[C@@H]2CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1cccs1	ZINC000035442456	436255835	/nfs/dbraw/zinc/25/58/35/436255835.db2.gz	JNHWHXJFEGEKFE-LNSITVRQSA-N	1	0	336.461	0.305	40	0	biogenic,in-vitro	ECABRO
CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000096049491	436506134	/nfs/dbraw/zinc/50/61/34/436506134.db2.gz	JZOGFVSGROLXFR-SFHVURJKSA-N	1	0	332.448	0.742	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cn1	ZINC000096057670	436506769	/nfs/dbraw/zinc/50/67/69/436506769.db2.gz	SPCPSRLDFWWUEG-ARFHVFGLSA-N	1	0	334.420	0.954	40	0		ECABRO
Cn1cc(CN2Cc3nnn(C)c3[C@@H](COCC[NH+](C)C)C2)cn1	ZINC000096060661	436507636	/nfs/dbraw/zinc/50/76/36/436507636.db2.gz	TZJAQIBGFFZALY-CQSZACIVSA-N	1	0	333.440	0.226	40	0		ECABRO
Cc1cnc(C(=O)N2CCC3(CCN(CC[NH+](C)C)C3=O)CC2)cn1	ZINC000096062933	436507686	/nfs/dbraw/zinc/50/76/86/436507686.db2.gz	FUEZROAAVQJGOZ-UHFFFAOYSA-N	1	0	345.447	0.801	40	0		ECABRO
CCS(=O)(=O)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21	ZINC000096057942	436508527	/nfs/dbraw/zinc/50/85/27/436508527.db2.gz	CEKWRWVPVVXIOR-RRFJBIMHSA-N	1	0	332.466	0.680	40	0		ECABRO
COCC[N@@H+]1CCO[C@@H]2CN(S(=O)(=O)c3cccnc3)C[C@@H]2C1	ZINC000096107978	436511505	/nfs/dbraw/zinc/51/15/05/436511505.db2.gz	OUMUQYZCANQZPS-DZGCQCFKSA-N	1	0	341.433	0.049	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1	ZINC000096224462	436524652	/nfs/dbraw/zinc/52/46/52/436524652.db2.gz	GOJZLAVEOFVYED-SFHVURJKSA-N	1	0	330.432	0.984	40	0		ECABRO
Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccccn4)C3)N(C)CC2=O)cn1	ZINC000096230524	436526759	/nfs/dbraw/zinc/52/67/59/436526759.db2.gz	VYXUXGBSPMNVPH-GOSISDBHSA-N	1	0	340.431	0.738	40	0		ECABRO
Cn1cc(C[N@@H+]2CCc3ncnc(N4CCOCC4)c3CC2)cn1	ZINC000096255705	436527707	/nfs/dbraw/zinc/52/77/07/436527707.db2.gz	AMRQAOSLKCYTKE-UHFFFAOYSA-N	1	0	328.420	0.648	40	0		ECABRO
C[NH+](C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	ZINC000225438597	436710098	/nfs/dbraw/zinc/71/00/98/436710098.db2.gz	UXPHYFAMJNVCSU-UHFFFAOYSA-N	1	0	337.445	0.826	40	0		ECABRO
CS(=O)(=O)CCC(=O)N1Cc2cncn2[C@H](C[NH+]2CCCC2)C1	ZINC000247538831	436796150	/nfs/dbraw/zinc/79/61/50/436796150.db2.gz	ROJKWGFADVEJKO-CQSZACIVSA-N	1	0	340.449	0.297	40	0		ECABRO
Cc1cc(N2CCC[C@@](O)(CNC(=O)CC[NH3+])C2)c2cnccc2n1	ZINC000257338649	436874500	/nfs/dbraw/zinc/87/45/00/436874500.db2.gz	YYIVRPWIFGVORP-GOSISDBHSA-N	1	0	343.431	0.735	40	0		ECABRO
CN(C)c1cc(C[C@@H]2CN(c3cnccn3)CC[N@H+](C)C2)ncn1	ZINC000257254385	436862491	/nfs/dbraw/zinc/86/24/91/436862491.db2.gz	KCVCIAZLYPLPBR-AWEZNQCLSA-N	1	0	327.436	0.943	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@H](C(N)=O)C1	ZINC000257298348	436865598	/nfs/dbraw/zinc/86/55/98/436865598.db2.gz	RLHXEVGAUJYMBM-GFCCVEGCSA-N	1	0	329.404	0.371	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)/C=C/c3cccs3)C2)CC1	ZINC000257323057	436870288	/nfs/dbraw/zinc/87/02/88/436870288.db2.gz	WIOUBWLSEUWLFK-LAQIPUCWSA-N	1	0	335.473	0.972	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O	ZINC000257323701	436870639	/nfs/dbraw/zinc/87/06/39/436870639.db2.gz	WLNHXDXSWVVEMT-WBVHZDCISA-N	1	0	345.443	0.779	40	0		ECABRO
CNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccccc2)n1	ZINC000328985303	437299485	/nfs/dbraw/zinc/29/94/85/437299485.db2.gz	HSNJCPZWQNYPGQ-UHFFFAOYSA-N	1	0	326.448	0.688	40	0		ECABRO
O=C(NC1CCCCC1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCC2)[C@H]1O	ZINC000012529661	303741396	/nfs/dbraw/zinc/74/13/96/303741396.db2.gz	UOWNXDRNRIFJIZ-DGXTUMSLSA-N	1	0	339.436	0.567	40	0	biogenic,in-vitro	ECABRO
Cc1nc(CC(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)cs1	ZINC000585178729	439636129	/nfs/dbraw/zinc/63/61/29/439636129.db2.gz	KFIUYKDZHNUDNJ-INIZCTEOSA-N	1	0	338.477	0.205	40	0		ECABRO
CN1CCN([C@@H]2C[N@H+](Cc3ccc(OCCF)cc3)C[C@@H]2O)CC1	ZINC000585270310	439636424	/nfs/dbraw/zinc/63/64/24/439636424.db2.gz	UMVDLLIIHNDADV-MSOLQXFVSA-N	1	0	337.439	0.827	40	0		ECABRO
O=C(C1CC[NH2+]CC1)N1CCO[C@@](CO)(Cc2ccccc2F)C1	ZINC000585275868	439637613	/nfs/dbraw/zinc/63/76/13/439637613.db2.gz	AMPBLBLWPKVESA-SFHVURJKSA-N	1	0	336.407	0.958	40	0		ECABRO
CO[C@]1(CCC(=O)N(C)C)CCCN(C(=O)/C=C/C[NH+](C)C)C1	ZINC000585290485	439640972	/nfs/dbraw/zinc/64/09/72/439640972.db2.gz	WUSQNVOIUZDCKP-JKNJVXJCSA-N	1	0	325.453	0.980	40	0		ECABRO
Cn1cc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]([NH+]3CCOCC3)[C@@H]2O)cn1	ZINC000585289437	439641871	/nfs/dbraw/zinc/64/18/71/439641871.db2.gz	GETLXMJEUVRRIV-LZYNDVPASA-N	1	0	348.447	0.554	40	0		ECABRO
CNC(=O)[C@H]1CN(c2cc(C)ncn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257240200	536400957	/nfs/dbraw/zinc/40/09/57/536400957.db2.gz	HSNCACCRZLNSEL-CQSZACIVSA-N	1	0	333.436	0.448	40	0		ECABRO
CC(C)(O)c1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)NC2CC2)nn1	ZINC000008298516	578130442	/nfs/dbraw/zinc/13/04/42/578130442.db2.gz	SAXPRUSRNFUQEA-YUTCNCBUSA-N	1	0	333.436	0.495	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccncc2)[C@@H]1O)c1ccncc1	ZINC000077265302	202392068	/nfs/dbraw/zinc/39/20/68/202392068.db2.gz	YXJXLSWNJPHILF-OAGGEKHMSA-N	1	0	328.372	0.125	40	0	biogenic,in-vitro	ECABRO
Cc1cc(N2CC[C@](O)(CNC(=O)C[NH+]3CCCCC3)C2)ncn1	ZINC000257243981	244251602	/nfs/dbraw/zinc/25/16/02/244251602.db2.gz	IJKFSWFYAPLTLK-KRWDZBQOSA-N	1	0	333.436	0.328	40	0		ECABRO
C[NH+](C)CCNc1cnc([C@@H]2CCCN(S(C)(=O)=O)C2)cn1	ZINC000072365004	203205774	/nfs/dbraw/zinc/20/57/74/203205774.db2.gz	SRSQAOSFTGBVHN-GFCCVEGCSA-N	1	0	327.454	0.589	40	0		ECABRO
O=c1cc([C@H]2CC[N@H+](Cc3ccccn3)C2)nc(N2CCOCC2)[nH]1	ZINC000072394672	203213431	/nfs/dbraw/zinc/21/34/31/203213431.db2.gz	MAZGWJDNJYFNPY-AWEZNQCLSA-N	1	0	341.415	0.991	40	0		ECABRO
Cc1cnc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)[C@@](C)(O)CO3)cn1	ZINC000257254940	244279264	/nfs/dbraw/zinc/27/92/64/244279264.db2.gz	KFJUZFQKONZDMP-RDJZCZTQSA-N	1	0	348.447	0.861	40	0		ECABRO
CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](Cc2ccc3c(c2)OCCO3)C1	ZINC000257255755	244281836	/nfs/dbraw/zinc/28/18/36/244281836.db2.gz	KIRYUQYPOBGXNZ-OAHLLOKOSA-N	1	0	347.415	0.484	40	0		ECABRO
O=C(Cn1cnnn1)N(c1ccccc1)[C@H]1COC2(C1)CC[NH2+]CC2	ZINC000257319359	244512463	/nfs/dbraw/zinc/51/24/63/244512463.db2.gz	VSBGJUZOUIKQKP-OAHLLOKOSA-N	1	0	342.403	0.617	40	0		ECABRO
COc1cccc(CCN2C[C@@]34C[NH2+]C[C@@H](C[C@@H]3S2(=O)=O)O4)c1	ZINC000107185246	204226653	/nfs/dbraw/zinc/22/66/53/204226653.db2.gz	QFYRCZCUGQFUSU-PMPSAXMXSA-N	1	0	338.429	0.383	40	0		ECABRO
Cc1nc(CN2C[C@H]3C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)cs1	ZINC000107266347	204229532	/nfs/dbraw/zinc/22/95/32/204229532.db2.gz	NSZZCINNMKTWQC-RBSFLKMASA-N	1	0	338.477	0.719	40	0		ECABRO
CC[NH+]1CCN(C2=[NH+][C@H](c3ccco3)[C@H](C(=O)OC)C([O-])=N2)CC1	ZINC000019818093	285311747	/nfs/dbraw/zinc/31/17/47/285311747.db2.gz	ONCGDCALAKQHAE-QWHCGFSZSA-N	1	0	334.376	0.233	40	0		ECABRO
O=S1(=O)CC[C@H]([NH2+]CCCCCO[C@H]2CCS(=O)(=O)C2)C1	ZINC000040177510	257691760	/nfs/dbraw/zinc/69/17/60/257691760.db2.gz	DWSCIUVDGYPMSM-STQMWFEESA-N	1	0	339.479	0.137	40	0		ECABRO
CNC(=O)[C@H]1Cn2ccnc2C2(CC[NH+](Cc3cccnc3)CC2)O1	ZINC000096036754	273956143	/nfs/dbraw/zinc/95/61/43/273956143.db2.gz	OKADOMNJNCJEOS-OAHLLOKOSA-N	1	0	341.415	0.914	40	0		ECABRO
CN1CCN(Cc2cccnc2)C(=O)C12CC[NH+]([C@H]1CCOC1)CC2	ZINC000096230136	277109545	/nfs/dbraw/zinc/10/95/45/277109545.db2.gz	IOHBUCPDHJUXGN-KRWDZBQOSA-N	1	0	344.459	0.979	40	0		ECABRO
Cc1c(C)n2c(nc3c2c(=O)[nH]c(=O)n3C)n1CC[NH+]1CCCC1	ZINC000013998328	280224284	/nfs/dbraw/zinc/22/42/84/280224284.db2.gz	SCIABGWATPJRLS-UHFFFAOYSA-N	1	0	330.392	0.389	40	0		ECABRO
CCC(=O)N1CCC[C@@H](N2C(=O)NC3(CC[NH+](CC)CC3)C2=O)C1	ZINC000019699886	436107673	/nfs/dbraw/zinc/10/76/73/436107673.db2.gz	ZWMUNFBHOQMASB-CYBMUJFWSA-N	1	0	336.436	0.794	40	0		ECABRO
CS(=O)(=O)CC(=O)N1C[C@@H]2C[N@H+](CC3CCCC3)CCO[C@@H]2C1	ZINC000096108002	436514200	/nfs/dbraw/zinc/51/42/00/436514200.db2.gz	KVZXBPXWRMNHAF-LSDHHAIUSA-N	1	0	344.477	0.380	40	0		ECABRO
Cc1nc(CN2CC[C@@]3(CCN(C(=O)C[NH+](C)C)C3)C2=O)cs1	ZINC000096159467	436517561	/nfs/dbraw/zinc/51/75/61/436517561.db2.gz	YIMWLXDDLHTLAJ-INIZCTEOSA-N	1	0	336.461	0.964	40	0		ECABRO
CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@H+](CC3CCOCC3)C2)O1	ZINC000096207874	436522524	/nfs/dbraw/zinc/52/25/24/436522524.db2.gz	CDVFHCDKRAOWLI-JKSUJKDBSA-N	1	0	346.493	0.976	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3C[C@@H](CC(=O)N4CCN(C)CC4)O[C@@H]3C2)cn1	ZINC000096206604	436522544	/nfs/dbraw/zinc/52/25/44/436522544.db2.gz	IDBSEOXPIZTCAD-YESZJQIVSA-N	1	0	347.463	0.174	40	0		ECABRO
CC(C)[N@@H+]1CCOC[C@]2(CN(C(=O)C3CCOCC3)CCO2)C1	ZINC000096049767	436506147	/nfs/dbraw/zinc/50/61/47/436506147.db2.gz	DLCYPYCRRCFLFA-QGZVFWFLSA-N	1	0	326.437	0.751	40	0		ECABRO
Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2Cc2cnn(C)c2)cn1	ZINC000096061723	436507890	/nfs/dbraw/zinc/50/78/90/436507890.db2.gz	JKOLPRKRLOUZMN-MSOLQXFVSA-N	1	0	344.463	0.671	40	0		ECABRO
O=C(c1ccncn1)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21	ZINC000096065792	436508291	/nfs/dbraw/zinc/50/82/91/436508291.db2.gz	UYOYDDJXIMGSKP-GVDBMIGSSA-N	1	0	346.431	0.961	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1	ZINC000096062343	436508311	/nfs/dbraw/zinc/50/83/11/436508311.db2.gz	XOAIJWQAAVZNDT-MRXNPFEDSA-N	1	0	344.477	0.682	40	0		ECABRO
CS(=O)(=O)NC[C@H]1CCC[C@]2(CC[N@H+](CC3CCOCC3)C2)O1	ZINC000096207791	436522928	/nfs/dbraw/zinc/52/29/28/436522928.db2.gz	CDVFHCDKRAOWLI-HZPDHXFCSA-N	1	0	346.493	0.976	40	0		ECABRO
COCCN1CCN(C)C2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O	ZINC000096230067	436526200	/nfs/dbraw/zinc/52/62/00/436526200.db2.gz	VKUHVEUXTDNBRF-UHFFFAOYSA-N	1	0	335.452	0.175	40	0		ECABRO
CC(C)C[N@@H+]1CCNC(=O)C12CCN(C(=O)c1ccnnc1)CC2	ZINC000096230179	436527086	/nfs/dbraw/zinc/52/70/86/436527086.db2.gz	ZQDOSDXPJGQMKP-UHFFFAOYSA-N	1	0	331.420	0.539	40	0		ECABRO
Cc1cnc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1	ZINC000096254350	436528329	/nfs/dbraw/zinc/52/83/29/436528329.db2.gz	XIQNHXKANKAASZ-UHFFFAOYSA-N	1	0	330.392	0.627	40	0		ECABRO
C[C@@]1(C(=O)N2CCOCC2)C[N@H+](CC2(O)CCCCC2)CCO1	ZINC000257339330	436874419	/nfs/dbraw/zinc/87/44/19/436874419.db2.gz	ZBGPJYZOHHZOIE-INIZCTEOSA-N	1	0	326.437	0.631	40	0		ECABRO
Cc1cc(C)n2nc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)cc2n1	ZINC000257289910	436863935	/nfs/dbraw/zinc/86/39/35/436863935.db2.gz	QASUBTXUGVDMRL-HUUCEWRRSA-N	1	0	329.404	0.627	40	0		ECABRO
CN1CCC[N@@H+]([C@H]2CCN(C(=O)c3ccncc3)CC[C@@H]2O)CC1	ZINC000257299990	436867072	/nfs/dbraw/zinc/86/70/72/436867072.db2.gz	RSLFFBAODOSGAP-IRXDYDNUSA-N	1	0	332.448	0.685	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](CC2CCC2)C[C@H]1O)c1cscn1	ZINC000257308245	436867758	/nfs/dbraw/zinc/86/77/58/436867758.db2.gz	TVZNJXNXCWFKMG-UKRRQHHQSA-N	1	0	325.434	0.471	40	0		ECABRO
O=C(C[N@@H+]1CCOC[C@H](Cc2cc(=O)[nH]cn2)C1)N1CCCCC1	ZINC000257307543	436867791	/nfs/dbraw/zinc/86/77/91/436867791.db2.gz	SZDQMBXOSCGXBR-CQSZACIVSA-N	1	0	334.420	0.686	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@](CCCc2cnccn2)(C(=O)N(C)C)C1	ZINC000257322677	436869619	/nfs/dbraw/zinc/86/96/19/436869619.db2.gz	WGYLKNUOYWFVSV-SFHVURJKSA-N	1	0	347.463	0.716	40	0		ECABRO
O=C(c1cnc[nH]c1=O)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000257315794	436869647	/nfs/dbraw/zinc/86/96/47/436869647.db2.gz	VCUFERWORFLAIU-HZPDHXFCSA-N	1	0	340.383	0.426	40	0		ECABRO
O=c1ccn([C@@H]2C[C@@H](C[NH2+]Cc3ccccc3)[C@@H](O)[C@@H]2O)c(=O)[nH]1	ZINC000257314074	436870581	/nfs/dbraw/zinc/87/05/81/436870581.db2.gz	UVERJHHJOIAHKY-SJXGUFTOSA-N	1	0	331.372	0.022	40	0		ECABRO
CNc1ncccc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257320130	436870732	/nfs/dbraw/zinc/87/07/32/436870732.db2.gz	VVMIFFDOXNGAKI-HNNXBMFYSA-N	1	0	347.463	0.521	40	0		ECABRO
CCNc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1	ZINC000329068010	437311320	/nfs/dbraw/zinc/31/13/20/437311320.db2.gz	YMICHVRIKVUEKN-UHFFFAOYSA-N	1	0	332.374	0.430	40	0		ECABRO
Cn1cncc1C[N@@H+]1CCC[C@]2(CN(c3ccc(=O)n(C)c3)C2=O)C1	ZINC000585099579	439630205	/nfs/dbraw/zinc/63/02/05/439630205.db2.gz	RCIHWSAZSXJLKT-GOSISDBHSA-N	1	0	341.415	0.748	40	0		ECABRO
O=C(c1ccccc1)N1CC[C@H](O)[C@@](O)(C[NH2+]Cc2cccnc2)C1	ZINC000585283664	439640079	/nfs/dbraw/zinc/64/00/79/439640079.db2.gz	GOGPJSRFGSKDDB-PKOBYXMFSA-N	1	0	341.411	0.809	40	0		ECABRO
CCOC(=O)N1CCC(O)(C[N@@H+]2CCC[C@](C)(C(N)=O)C2)CC1	ZINC000585285105	439640499	/nfs/dbraw/zinc/64/04/99/439640499.db2.gz	WBNXBJGJYIUDQV-HNNXBMFYSA-N	1	0	327.425	0.557	40	0		ECABRO
Cn1nccc1/C=C/C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000585288872	439641388	/nfs/dbraw/zinc/64/13/88/439641388.db2.gz	BIFIFUDFEASPPU-LZYNDVPASA-N	1	0	348.447	0.554	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cccc3cccnc32)CC[N@H+](C)C1	ZINC000257232687	536398553	/nfs/dbraw/zinc/39/85/53/536398553.db2.gz	GLYQJQMMJOSCOD-AWEZNQCLSA-N	1	0	326.400	0.985	40	0		ECABRO
C[C@H](C(=O)NCC[NH+](C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000224745281	564043652	/nfs/dbraw/zinc/04/36/52/564043652.db2.gz	COQDFJWKISYYRX-SNVBAGLBSA-N	1	0	349.403	0.797	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(C(=O)c1ccccn1)C2	ZINC000096045454	282109205	/nfs/dbraw/zinc/10/92/05/282109205.db2.gz	VQEUIUJACMTSON-CYBMUJFWSA-N	1	0	344.419	0.528	40	0		ECABRO
C[NH2+]CC(=O)N1CCC(c2cc(CCC(=O)N(C)C)nc(C)n2)CC1	ZINC000072367004	216173017	/nfs/dbraw/zinc/17/30/17/216173017.db2.gz	LIGODPFEUKWISN-UHFFFAOYSA-N	1	0	347.463	0.731	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218131207	241300012	/nfs/dbraw/zinc/30/00/12/241300012.db2.gz	DPYIVCDNAIVXRK-VNHYZAJKSA-N	1	0	341.385	0.434	40	0		ECABRO
CC(=O)N1CC[N@H+](CC2=Cc3ccccc3OC2)C[C@@H](C(N)=O)C1	ZINC000257208455	244144474	/nfs/dbraw/zinc/14/44/74/244144474.db2.gz	BMFBGGDQBXRTNS-MRXNPFEDSA-N	1	0	329.400	0.728	40	0		ECABRO
O=C(N[C@@H]1CCC[C@@H]([NH+]2CCCC2)[C@@H]1O)c1cnn2cccnc12	ZINC000257217499	244170007	/nfs/dbraw/zinc/17/00/07/244170007.db2.gz	CZFMBYJSYWXFPN-RBSFLKMASA-N	1	0	329.404	0.837	40	0		ECABRO
CC(C)([NH3+])C(=O)N1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000012144261	211305312	/nfs/dbraw/zinc/30/53/12/211305312.db2.gz	COKJYEXEOZPEFF-UHFFFAOYSA-N	1	0	343.431	0.835	40	0		ECABRO
CN1CCN(CCO)C(=O)C12CC[NH+](Cc1ccc(F)cc1)CC2	ZINC000096050080	218540572	/nfs/dbraw/zinc/54/05/72/218540572.db2.gz	VJKSOLZICHMHRS-UHFFFAOYSA-N	1	0	335.423	0.927	40	0		ECABRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2ccc[nH]2)CC3)CC1	ZINC000096067979	218564858	/nfs/dbraw/zinc/56/48/58/218564858.db2.gz	IXLOKKTZDMLEHW-UHFFFAOYSA-N	1	0	328.420	0.615	40	0		ECABRO
O=C(c1cnccn1)N1CCOC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000096240656	218714016	/nfs/dbraw/zinc/71/40/16/218714016.db2.gz	QJJQJKFLPYREBR-MAUKXSAKSA-N	1	0	346.431	0.820	40	0		ECABRO
COc1cc2c(cc1OC)[C@H]1C[C@@](CC(N)=O)(C(N)=O)CC[N@@H+]1CC2	ZINC000005766726	286261278	/nfs/dbraw/zinc/26/12/78/286261278.db2.gz	ZYLDOXRRCGMALP-ACJLOTCBSA-N	1	0	347.415	0.744	40	0		ECABRO
CC(=O)Nc1ccc(N2C(=O)C[C@H](N3CCC[N@@H+](C)CC3)C2=O)cc1	ZINC000100619748	277077326	/nfs/dbraw/zinc/07/73/26/277077326.db2.gz	AVEGWBUGBHQHEH-INIZCTEOSA-N	1	0	344.415	0.914	40	0		ECABRO
CC1(C)O[C@@H]2CO[C@H](C[NH2+]C[C@H]3OC[C@H]4OC(C)(C)O[C@@H]34)[C@H]2O1	ZINC000004963560	435983621	/nfs/dbraw/zinc/98/36/21/435983621.db2.gz	JWWJZLQBXPIMDY-UQPQVDFHSA-N	1	0	329.393	0.414	40	0		ECABRO
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[N@@H+]2CCC[C@H]2C1	ZINC000005767480	435991906	/nfs/dbraw/zinc/99/19/06/435991906.db2.gz	SXWOYINHNFSCIE-NSHDSACASA-N	1	0	339.417	0.263	40	0		ECABRO
O=S(=O)(c1cncc(Cl)c1N1CC[NH2+]CC1)N1CCOCC1	ZINC000072210774	436036699	/nfs/dbraw/zinc/03/66/99/436036699.db2.gz	WRBJRGCSQOENNY-UHFFFAOYSA-N	1	0	346.840	0.166	40	0		ECABRO
CC(=O)N[C@]12CN(S(=O)(=O)Cc3ccccc3)C[C@H]1C[NH2+]CC2	ZINC000019713017	436107515	/nfs/dbraw/zinc/10/75/15/436107515.db2.gz	BTIMCVZWWVWTAG-HZPDHXFCSA-N	1	0	337.445	0.316	40	0		ECABRO
CCn1ccc(C(=O)N2CC[C@@H](C(=O)NCC[NH+]3CCCCC3)C2)n1	ZINC000019745449	436109035	/nfs/dbraw/zinc/10/90/35/436109035.db2.gz	ODDJMTWYSCLAKP-OAHLLOKOSA-N	1	0	347.463	0.967	40	0		ECABRO
Cc1ccc(S(=O)(=O)NC[C@H]2OC[C@@H]([NH2+]CC3CC3)[C@@H]2O)cc1	ZINC000077264738	436228933	/nfs/dbraw/zinc/22/89/33/436228933.db2.gz	OKYDUWBRQRAPAH-OAGGEKHMSA-N	1	0	340.445	0.401	40	0	biogenic,in-vitro	ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(CNC(=O)c3cccn3C)C2)cn1	ZINC000096108434	436514375	/nfs/dbraw/zinc/51/43/75/436514375.db2.gz	JGQGSJBQSSVKKR-QAPCUYQASA-N	1	0	343.431	0.637	40	0		ECABRO
CC(=O)N1CCC2(CC1)[C@@H]1C[N@@H+](Cc3cccnc3)C[C@@H]1C(=O)N2C	ZINC000096143579	436515902	/nfs/dbraw/zinc/51/59/02/436515902.db2.gz	KSTBBGGQWOTMCC-DLBZAZTESA-N	1	0	342.443	0.983	40	0		ECABRO
Cn1ccnc1C(=O)NC[C@@H]1OC[C@H]2C[N@H+](C[C@H]3CCOC3)CC[C@H]21	ZINC000096185335	436518889	/nfs/dbraw/zinc/51/88/89/436518889.db2.gz	IGOUGGNRWAMJJS-FPCVCCKLSA-N	1	0	348.447	0.523	40	0		ECABRO
COCC[N@@H+]1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21	ZINC000096186721	436519291	/nfs/dbraw/zinc/51/92/91/436519291.db2.gz	AAANHZDVWLOOQL-PMPSAXMXSA-N	1	0	326.437	0.894	40	0		ECABRO
CCOCC(=O)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21	ZINC000096041630	436504994	/nfs/dbraw/zinc/50/49/94/436504994.db2.gz	NSOZXMKLIPMVTL-ZMSDIMECSA-N	1	0	326.437	0.894	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cccnc3)C[C@H]21	ZINC000096057197	436507117	/nfs/dbraw/zinc/50/71/17/436507117.db2.gz	CRGARWKHRLJYRS-ZACQAIPSSA-N	1	0	333.432	0.929	40	0		ECABRO
Cc1csc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)N3CCOCC3)C2)n1	ZINC000096206298	436523683	/nfs/dbraw/zinc/52/36/83/436523683.db2.gz	FIPDQWHNLWQDHJ-CZUORRHYSA-N	1	0	337.445	0.759	40	0		ECABRO
O=C(C[C@@H]1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2O1)N1CCOCC1	ZINC000096216600	436525118	/nfs/dbraw/zinc/52/51/18/436525118.db2.gz	BMTVLOYXNFDJJQ-YESZJQIVSA-N	1	0	331.416	0.920	40	0		ECABRO
COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1	ZINC000096228774	436527217	/nfs/dbraw/zinc/52/72/17/436527217.db2.gz	FNSZMJHDGAXWSA-DOTOQJQBSA-N	1	0	326.437	0.753	40	0		ECABRO
O=c1n(Cc2ccc(F)cc2)nc2c(N3CC[NH2+]CC3)nccn12	ZINC000096530670	436534957	/nfs/dbraw/zinc/53/49/57/436534957.db2.gz	FMKRCNZSHUXSNW-UHFFFAOYSA-N	1	0	328.351	0.488	40	0		ECABRO
CCOC(=O)[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O	ZINC000242463911	436758854	/nfs/dbraw/zinc/75/88/54/436758854.db2.gz	DPYIVCDNAIVXRK-GZBFAFLISA-N	1	0	341.385	0.434	40	0		ECABRO
COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1	ZINC000247825359	436796711	/nfs/dbraw/zinc/79/67/11/436796711.db2.gz	FNSZMJHDGAXWSA-WBVHZDCISA-N	1	0	326.437	0.753	40	0		ECABRO
COCC[N@@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccnnc1)CC2	ZINC000247910770	436797696	/nfs/dbraw/zinc/79/76/96/436797696.db2.gz	YCEGQSMFRHDWCZ-MRXNPFEDSA-N	1	0	348.447	0.924	40	0		ECABRO
Cc1ncc(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cn1	ZINC000257228848	436858886	/nfs/dbraw/zinc/85/88/86/436858886.db2.gz	FVNUMTYDOKVPOI-HNNXBMFYSA-N	1	0	333.436	0.183	40	0		ECABRO
C[N@@H+]1CCC[C@](C)(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)C1	ZINC000257294993	436864137	/nfs/dbraw/zinc/86/41/37/436864137.db2.gz	QWNOYVYCQPISOW-IRXDYDNUSA-N	1	0	325.453	0.014	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cccc3c2OCCO3)CC[N@H+](C)C1	ZINC000257298122	436866021	/nfs/dbraw/zinc/86/60/21/436866021.db2.gz	RKGJVKSSKKFMJK-LBPRGKRZSA-N	1	0	333.388	0.208	40	0		ECABRO
CNC(=O)CCc1cc(C2CCN(C(=O)C[NH2+]C)CC2)nc(C)n1	ZINC000257304294	436867086	/nfs/dbraw/zinc/86/70/86/436867086.db2.gz	SKXPLVPQIIZXBZ-UHFFFAOYSA-N	1	0	333.436	0.389	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cncs2)CC[N@@H+](C2CCOCC2)C1	ZINC000257312856	436868437	/nfs/dbraw/zinc/86/84/37/436868437.db2.gz	UPVVCEFRVOULJN-CYBMUJFWSA-N	1	0	338.477	0.802	40	0		ECABRO
CC(=O)N1CC[NH+]([C@@H]2CCCC[C@@H](NC(=O)C3CCC3)[C@H]2O)CC1	ZINC000257316883	436869525	/nfs/dbraw/zinc/86/95/25/436869525.db2.gz	VHKOJBKJNQKPCD-BRWVUGGUSA-N	1	0	337.464	0.739	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)CC[N@H+](C)C1	ZINC000257318705	436869726	/nfs/dbraw/zinc/86/97/26/436869726.db2.gz	VPALTNOWRNDRQI-ZDUSSCGKSA-N	1	0	329.404	0.621	40	0		ECABRO
Cc1nc2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@@H](C(N)=O)C1	ZINC000257314107	436870099	/nfs/dbraw/zinc/87/00/99/436870099.db2.gz	UVIPTILXWPBTAV-CYBMUJFWSA-N	1	0	329.404	0.220	40	0		ECABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@H](Cc3ccncn3)C2)CC1	ZINC000257319759	436870966	/nfs/dbraw/zinc/87/09/66/436870966.db2.gz	VTYPOHXWEBJCPF-MRXNPFEDSA-N	1	0	348.447	0.341	40	0		ECABRO
CCCS(=O)(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2	ZINC000257316924	436871095	/nfs/dbraw/zinc/87/10/95/436871095.db2.gz	VHOXZYBSYPWRGI-KBPBESRZSA-N	1	0	334.482	0.662	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@]1(O)CCN(c2ccnc3cccnc32)C1	ZINC000257325915	436873207	/nfs/dbraw/zinc/87/32/07/436873207.db2.gz	WVAAKRMDUPCLFR-QGZVFWFLSA-N	1	0	329.404	0.426	40	0		ECABRO
CCNc1nc(NCCN2CC[NH+](C)CC2)cc(-c2ccncc2)n1	ZINC000328968491	437294001	/nfs/dbraw/zinc/29/40/01/437294001.db2.gz	DAFBESSAZSYBCR-UHFFFAOYSA-N	1	0	341.463	0.474	40	0		ECABRO
CC(=O)N1C[C@@H]2CN(Cc3ccc(F)cc3)CCN2[C@](C)(CO)C1	ZINC000514288332	438813170	/nfs/dbraw/zinc/81/31/70/438813170.db2.gz	IHCVFMIFCYCVOM-ROUUACIJSA-N	1	0	335.423	0.925	40	0	biogenic,in-vitro	ECABRO
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@H]1C[NH+]1CCCC1	ZINC000585097253	439628935	/nfs/dbraw/zinc/62/89/35/439628935.db2.gz	JEUCJVGKTMGXIZ-INIZCTEOSA-N	1	0	347.463	0.412	40	0		ECABRO
O=C(CN1CCOCC1)N1Cc2ccnn2CC[C@@H]1C[NH+]1CCCC1	ZINC000585097255	439629888	/nfs/dbraw/zinc/62/98/88/439629888.db2.gz	JEUCJVGKTMGXIZ-MRXNPFEDSA-N	1	0	347.463	0.412	40	0		ECABRO
COc1ccc([C@H]2C[NH2+]CCN2C(=O)CCN2CCOCC2)cc1	ZINC000257214349	536944585	/nfs/dbraw/zinc/94/45/85/536944585.db2.gz	CLQWDQIFYUNHSZ-QGZVFWFLSA-N	1	0	333.432	0.890	40	0		ECABRO
C[NH+](C)CCN1CCOCC2(CCN(C(=O)[C@H]3CCCO3)CC2)C1	ZINC000096239852	282101284	/nfs/dbraw/zinc/10/12/84/282101284.db2.gz	PNOLVYQXWBICQA-MRXNPFEDSA-N	1	0	339.480	0.668	40	0		ECABRO
C[NH+](C)CCNC(=O)c1nc2c(o1)CN(C(=O)c1cccnc1)C2	ZINC000096147303	282105794	/nfs/dbraw/zinc/10/57/94/282105794.db2.gz	ZNYPPLCZPIAGNZ-UHFFFAOYSA-N	1	0	329.360	0.517	40	0		ECABRO
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1OC[C@@H](O[N+](=O)[O-])C2	ZINC000003812911	210076199	/nfs/dbraw/zinc/07/61/99/210076199.db2.gz	OMCPLEZZPVJJIS-OLZOCXBDSA-N	1	0	326.349	0.936	40	0	world	ECABRO
Cc1nc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](C(CO)CO)C2)n1	ZINC000072363679	216169522	/nfs/dbraw/zinc/16/95/22/216169522.db2.gz	GAGAUKCHHHBCIH-ZDUSSCGKSA-N	1	0	344.419	0.851	40	0		ECABRO
COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1	ZINC000257208432	244144004	/nfs/dbraw/zinc/14/40/04/244144004.db2.gz	BMDODCSNFIVQTO-HUUCEWRRSA-N	1	0	326.418	0.525	40	0		ECABRO
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)Cn3cccn3)C[C@H]2O)cc1	ZINC000257223596	244191661	/nfs/dbraw/zinc/19/16/61/244191661.db2.gz	DYBDFYKZIXGPBQ-IAGOWNOFSA-N	1	0	344.415	0.595	40	0		ECABRO
O=C(Cn1ccc(C(F)(F)F)n1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257233799	244224425	/nfs/dbraw/zinc/22/44/25/244224425.db2.gz	GQUARJSACRVFCT-GHMZBOCLSA-N	1	0	332.326	0.569	40	0		ECABRO
NC(=O)CCC(=O)N1CCC[C@@](O)(C[NH+]2CCC(F)(F)CC2)CC1	ZINC000257276930	244393754	/nfs/dbraw/zinc/39/37/54/244393754.db2.gz	NVSXCRWGMKKUQJ-HNNXBMFYSA-N	1	0	347.406	0.727	40	0		ECABRO
CN1C[C@H](C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1=O	ZINC000019587345	212048010	/nfs/dbraw/zinc/04/80/10/212048010.db2.gz	FPBGWTZXIZVNLO-CHWSQXEVSA-N	1	0	343.431	0.307	40	0		ECABRO
COc1ccccc1CN1CC[C@@H]([NH2+]CCN2CCOCC2)[C@H](O)C1	ZINC000019570543	212043587	/nfs/dbraw/zinc/04/35/87/212043587.db2.gz	YYOJWXOKVWMBFP-QZTJIDSGSA-N	1	0	349.475	0.552	40	0		ECABRO
COCCN[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]Cc2ccc(F)cc2)[C@@H]1O	ZINC000012483780	211391648	/nfs/dbraw/zinc/39/16/48/211391648.db2.gz	BHISAHWLOUZINM-DGXTUMSLSA-N	1	0	326.368	0.005	40	0	biogenic,in-vitro	ECABRO
CCS(=O)(=O)N1CCc2nc([C@H]3CCCC[NH2+]3)[nH]c(=O)c2C1	ZINC000257342942	286668470	/nfs/dbraw/zinc/66/84/70/286668470.db2.gz	ZQRVYMOUNDPEPI-GFCCVEGCSA-N	1	0	326.422	0.705	40	0		ECABRO
CC(C)([NH3+])C(=O)NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[nH]c1=O)O2	ZINC000257237347	277305959	/nfs/dbraw/zinc/30/59/59/277305959.db2.gz	HGBNRZGCMASBRF-ABKXIKBNSA-N	1	0	336.392	0.920	40	0		ECABRO
CC(C)[N@H+](C)C[C@@H]1CO[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2	ZINC000096052004	279372652	/nfs/dbraw/zinc/37/26/52/279372652.db2.gz	VNQWLUJDJBFZHO-ZBFHGGJFSA-N	1	0	346.493	0.926	40	0		ECABRO
CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccncc1)C2	ZINC000096108374	436514244	/nfs/dbraw/zinc/51/42/44/436514244.db2.gz	CTQISFRGOSKEOX-CABCVRRESA-N	1	0	325.434	0.469	40	0		ECABRO
Cn1cc(C[C@H]2[C@H](N3CCOCC3)CC[N@@H+]2C2CCOCC2)cn1	ZINC000096200962	436523030	/nfs/dbraw/zinc/52/30/30/436523030.db2.gz	LDSRSJQXNSVSGI-MSOLQXFVSA-N	1	0	334.464	0.917	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccco1)C2	ZINC000096045445	436506699	/nfs/dbraw/zinc/50/66/99/436506699.db2.gz	CIUIIQANERHAQA-LBPRGKRZSA-N	1	0	333.392	0.726	40	0		ECABRO
CN(C)C(=O)CN1CCC2(CC[NH+](CC3CCOCC3)CC2)C1=O	ZINC000096046862	436506755	/nfs/dbraw/zinc/50/67/55/436506755.db2.gz	UFFORPFWCCFHOQ-UHFFFAOYSA-N	1	0	337.464	0.816	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)C1=CCCC1)C2	ZINC000096045471	436506957	/nfs/dbraw/zinc/50/69/57/436506957.db2.gz	YHCHMUJLDRPCMX-AWEZNQCLSA-N	1	0	333.436	0.929	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCOC2)C1	ZINC000096066824	436509106	/nfs/dbraw/zinc/50/91/06/436509106.db2.gz	HQCZBGBQIVJGAH-CABCVRRESA-N	1	0	336.436	0.456	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@]2(CC[N@@H+](C3CCOCC3)C2)C1	ZINC000096062342	436509272	/nfs/dbraw/zinc/50/92/72/436509272.db2.gz	XOAIJWQAAVZNDT-INIZCTEOSA-N	1	0	344.477	0.682	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H](NS(=O)(=O)C1CC1)C2	ZINC000096067614	436510669	/nfs/dbraw/zinc/51/06/69/436510669.db2.gz	FZLJWIKKLLTJLT-CYBMUJFWSA-N	1	0	339.461	0.349	40	0		ECABRO
CCCCCn1c(CN2CC[NH+](C)CC2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000096306392	436530201	/nfs/dbraw/zinc/53/02/01/436530201.db2.gz	DCSAMKSCWKUDQC-UHFFFAOYSA-N	1	0	348.451	0.361	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]C2CCCCC2)[C@@H]1O)N1CCOCC1	ZINC000096296126	436530463	/nfs/dbraw/zinc/53/04/63/436530463.db2.gz	DTCDXFBZZYCXSI-KFWWJZLASA-N	1	0	327.425	0.079	40	0	biogenic,in-vitro	ECABRO
Cc1cn(CCCC[C@H]([NH3+])C(=O)[O-])c[n+]1CCCC[C@@H]([NH3+])C(=O)[O-]	ZINC000059067632	436631068	/nfs/dbraw/zinc/63/10/68/436631068.db2.gz	NVJLIMSDAPOFHF-UONOGXRCSA-O	1	0	341.432	0.248	40	0		ECABRO
CNC(=O)[C@@]1(CCCc2cnccn2)CCCN(C(=O)C(C)(C)[NH3+])C1	ZINC000257292859	436864163	/nfs/dbraw/zinc/86/41/63/436864163.db2.gz	QNFLTSJYXGHCSA-SFHVURJKSA-N	1	0	347.463	0.891	40	0		ECABRO
CNC(=O)CCc1cccc(C2CC[NH+]([C@@H]3COC[C@@H]3O)CC2)n1	ZINC000257288587	436864628	/nfs/dbraw/zinc/86/46/28/436864628.db2.gz	PUVURPXBODRXHM-SJORKVTESA-N	1	0	333.432	0.699	40	0		ECABRO
Cn1cc(C(=O)N2CC[C@](O)(C[NH+]3CCC(F)(F)CC3)C2)cn1	ZINC000257310321	436868919	/nfs/dbraw/zinc/86/89/19/436868919.db2.gz	UEQFZOKGOCVQON-AWEZNQCLSA-N	1	0	328.363	0.728	40	0		ECABRO
O=C(N[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)C[C@H]1O)c1ccn[nH]1	ZINC000257321736	436870413	/nfs/dbraw/zinc/87/04/13/436870413.db2.gz	WDAFPTHSUWXJLO-HZPDHXFCSA-N	1	0	325.372	0.866	40	0		ECABRO
Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CC[NH3+])C3)c2n1	ZINC000257315119	436871389	/nfs/dbraw/zinc/87/13/89/436871389.db2.gz	UZZBWDRBJJSSRT-SFHVURJKSA-N	1	0	343.431	0.687	40	0		ECABRO
Nc1cc(CC[C@H]2CN(C(=O)CCCn3cncn3)CCO2)cc[nH+]1	ZINC000257330445	436872406	/nfs/dbraw/zinc/87/24/06/436872406.db2.gz	XOLVOPHVRWWVPZ-HNNXBMFYSA-N	1	0	344.419	0.896	40	0		ECABRO
CC(C)[N@@H+]1CC[C@@]2(CCn3c2nn(Cc2cccnc2)c(=O)c3=O)C1	ZINC000306145044	437168468	/nfs/dbraw/zinc/16/84/68/437168468.db2.gz	ZWABRTPKNCCXKO-GOSISDBHSA-N	1	0	341.415	0.604	40	0		ECABRO
C[C@@]1(N(CC[NH3+])S(=O)(=O)c2ccccc2)CCS(=O)(=O)C1	ZINC000575426527	438749724	/nfs/dbraw/zinc/74/97/24/438749724.db2.gz	UWSSIDPNSNHMRL-CYBMUJFWSA-N	1	0	332.447	0.213	40	0		ECABRO
CC(=O)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514289268	438812089	/nfs/dbraw/zinc/81/20/89/438812089.db2.gz	KODQEKSVFNWFJZ-ZWKOTPCHSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCC(F)(F)CC2)[C@@H]1O	ZINC000514289066	438812813	/nfs/dbraw/zinc/81/28/13/438812813.db2.gz	QIRKUUCTUASSHM-SDDRHHMPSA-N	1	0	342.408	0.175	40	0	biogenic,in-vitro	ECABRO
COc1ccccc1CN1CC2(C1)CN(C(C)=O)C[C@@H]1C[C@@H](O)CN12	ZINC000514288769	438813012	/nfs/dbraw/zinc/81/30/12/438813012.db2.gz	DUXNLXNMFZETBJ-DLBZAZTESA-N	1	0	345.443	0.547	40	0	biogenic,in-vitro	ECABRO
CC(=O)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514288900	438813087	/nfs/dbraw/zinc/81/30/87/438813087.db2.gz	GTQJAMCRPWMLGA-IAGOWNOFSA-N	1	0	343.427	0.107	40	0	biogenic,in-vitro	ECABRO
Cn1ncnc1C(=O)N1CCC2(CO[C@H](C[NH+]3CCCC3)C2)CC1	ZINC000585104207	439629150	/nfs/dbraw/zinc/62/91/50/439629150.db2.gz	MWFRJGDYJAVKEW-AWEZNQCLSA-N	1	0	333.436	0.922	40	0		ECABRO
CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)c1ccnn1C)CCC2	ZINC000585108160	439631298	/nfs/dbraw/zinc/63/12/98/439631298.db2.gz	IIHPPMVRPKZFFJ-DYVFJYSZSA-N	1	0	334.420	0.767	40	0		ECABRO
CCOC(=O)[C@@]12C[N@H+](CC)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2	ZINC000585108148	439631318	/nfs/dbraw/zinc/63/13/18/439631318.db2.gz	DTSVAJRAEWJRAX-DYVFJYSZSA-N	1	0	349.435	0.552	40	0		ECABRO
CNC(=O)CC[C@]1(O)CCCN(C(=O)C2(C)CC[NH+](C)CC2)C1	ZINC000585276680	439637671	/nfs/dbraw/zinc/63/76/71/439637671.db2.gz	CIDFUHADRBENEF-QGZVFWFLSA-N	1	0	325.453	0.598	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC[C@@]2(C[C@@H](O)[C@H](c3ccccc3)NC2=O)C1	ZINC000585283705	439639644	/nfs/dbraw/zinc/63/96/44/439639644.db2.gz	CWWQRFXSWIAJOU-HHXXYDBFSA-N	1	0	345.443	0.779	40	0		ECABRO
Cc1cncc(C[NH+]2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1	ZINC000585290811	439642350	/nfs/dbraw/zinc/64/23/50/439642350.db2.gz	GRJUAIFVBOVPLG-QRVBRYPASA-N	1	0	349.475	0.654	40	0		ECABRO
NC(=[NH2+])c1ccc(N2CCN(C3CC[NH+](CC(=O)[O-])CC3)CC2)cc1	ZINC000000005719	526823448	/nfs/dbraw/zinc/82/34/48/526823448.db2.gz	QGEGSJUSWLLZLH-UHFFFAOYSA-N	1	0	345.447	0.642	40	0	investigational	ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(C)(=O)=O	ZINC000218070273	535596712	/nfs/dbraw/zinc/59/67/12/535596712.db2.gz	PFDNRDUVVJRKFR-IPYPFGDCSA-N	1	0	327.402	0.714	40	0		ECABRO
CN1C(=O)CO[C@@H]2CCN(C(=O)CC[N@H+](C)Cc3ccccn3)C[C@@H]21	ZINC000257257830	536304166	/nfs/dbraw/zinc/30/41/66/536304166.db2.gz	KRGBGCKFLIBRCG-JKSUJKDBSA-N	1	0	346.431	0.362	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)/C=C/c3ccccc3)C2)CC1	ZINC000257199754	536414065	/nfs/dbraw/zinc/41/40/65/536414065.db2.gz	AARQCVOHDHVJNE-UCFODXPJSA-N	1	0	329.444	0.911	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@@H](C(=O)N4CCCCO4)[C@@H]3C2)cn1	ZINC000097953320	219063777	/nfs/dbraw/zinc/06/37/77/219063777.db2.gz	MYMUJLULUNSYQD-BZUAXINKSA-N	1	0	334.420	0.669	40	0		ECABRO
Cc1cc(CCC(=O)N(C)C)nc(C2CCN(C(=O)C[NH3+])CC2)n1	ZINC000072366982	216173170	/nfs/dbraw/zinc/17/31/70/216173170.db2.gz	VBUGBCWFGSQVJI-UHFFFAOYSA-N	1	0	333.436	0.471	40	0		ECABRO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1)Nc1ccccc1	ZINC000020465714	212134158	/nfs/dbraw/zinc/13/41/58/212134158.db2.gz	ICIIWLHYRWSDKG-LTIDMASMSA-N	1	0	349.431	0.783	40	0	biogenic,in-vitro	ECABRO
O=C(C[NH+]1CCCCC1)N1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1	ZINC000257214385	244159515	/nfs/dbraw/zinc/15/95/15/244159515.db2.gz	CLTVNRFEHVLTSE-HNNXBMFYSA-N	1	0	334.420	0.828	40	0		ECABRO
Cc1cc(CN(C)C(=O)C2CN(C(=O)C3CC[NH+](C)CC3)C2)[nH]n1	ZINC000019747172	212061306	/nfs/dbraw/zinc/06/13/06/212061306.db2.gz	SXRDCKDRWVEYSN-UHFFFAOYSA-N	1	0	333.436	0.477	40	0		ECABRO
CCS(=O)(=O)N1CCc2nc([C@H]3CCC[NH2+]3)nc(NC)c2C1	ZINC000019711536	212057666	/nfs/dbraw/zinc/05/76/66/212057666.db2.gz	SUSFVIAJNJFWCJ-GFCCVEGCSA-N	1	0	325.438	0.651	40	0		ECABRO
O=C(CN1CCC[C@H](c2nnc3n2CC[NH2+]CC3)C1)N1CCCCC1	ZINC000019709199	212055829	/nfs/dbraw/zinc/05/58/29/212055829.db2.gz	SUKSSIGFAGWWHW-HNNXBMFYSA-N	1	0	346.479	0.616	40	0		ECABRO
COCCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C)CC3)C1	ZINC000019590233	212049379	/nfs/dbraw/zinc/04/93/79/212049379.db2.gz	IVTMLBPCYUCPSD-GFCCVEGCSA-N	1	0	334.420	0.913	40	0		ECABRO
CN1C[C@@H](C(=O)N2CCc3nc(C4CC[NH2+]CC4)ncc3C2)CC1=O	ZINC000019587351	212049442	/nfs/dbraw/zinc/04/94/42/212049442.db2.gz	YIIDIBVXTJBQCF-ZDUSSCGKSA-N	1	0	343.431	0.307	40	0		ECABRO
COc1ccc(CN2CC[C@@H]([NH2+]CCN3CCOCC3)[C@H](O)C2)cc1	ZINC000019555462	212041295	/nfs/dbraw/zinc/04/12/95/212041295.db2.gz	TWCUTJHKLJRPDA-RTBURBONSA-N	1	0	349.475	0.552	40	0		ECABRO
C[C@@H]1CCc2c(sc(NC(=O)CN3CC[NH2+]CC3)c2C(N)=O)C1	ZINC000019497183	212032537	/nfs/dbraw/zinc/03/25/37/212032537.db2.gz	VIKKQGVAWJOUOM-SNVBAGLBSA-N	1	0	336.461	0.816	40	0		ECABRO
COCCNC(=O)[C@H]1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)O1	ZINC000096109922	218604982	/nfs/dbraw/zinc/60/49/82/218604982.db2.gz	BRSXVUJWUPYBAN-OAHLLOKOSA-N	1	0	336.436	0.696	40	0		ECABRO
CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCCc1ccc(OC)cc1	ZINC000298124023	265225029	/nfs/dbraw/zinc/22/50/29/265225029.db2.gz	AMPNOTXKNRIWOF-HNNXBMFYSA-N	1	0	333.432	0.954	40	0		ECABRO
CNC(=O)c1cnn2c1nccc2[C@H]1CC[N@@H+](C2CCN(C)CC2)C1	ZINC000257216875	277019237	/nfs/dbraw/zinc/01/92/37/277019237.db2.gz	CWLMUNLKENNBKC-ZDUSSCGKSA-N	1	0	342.447	0.972	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2nccc2CN(C(=O)[C@H]2CCCO2)C1	ZINC000096188996	289170967	/nfs/dbraw/zinc/17/09/67/289170967.db2.gz	GOZRJUXIOPGJGV-GOEBONIOSA-N	1	0	336.436	0.599	40	0		ECABRO
Cn1ccnc1C(=O)N[C@@H]1C[N@H+](C[C@H]2CCOC2)[C@@H]2CCCO[C@H]12	ZINC000096185934	436519403	/nfs/dbraw/zinc/51/94/03/436519403.db2.gz	COABLFHCUBWNOP-KBUPBQIOSA-N	1	0	334.420	0.418	40	0		ECABRO
O=C(C[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)N1CCOCC1	ZINC000096205831	436522507	/nfs/dbraw/zinc/52/25/07/436522507.db2.gz	KMQHLMPRCSYHJZ-AEFFLSMTSA-N	1	0	331.416	0.779	40	0		ECABRO
Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C(=O)N4CCOCC4)[C@@H]3C2)n1	ZINC000096040719	436505658	/nfs/dbraw/zinc/50/56/58/436505658.db2.gz	HPDVAEQAJXFGJX-NXHRZFHOSA-N	1	0	345.443	0.943	40	0		ECABRO
Cn1cc(N2C[C@]3(CC[N@H+](CC4CCOCC4)C3)N(C)CC2=O)cn1	ZINC000096050398	436507265	/nfs/dbraw/zinc/50/72/65/436507265.db2.gz	FRXXZDUELQLKMI-GOSISDBHSA-N	1	0	347.463	0.570	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)[C@@H]2Cc2ccncc2)c1	ZINC000096070083	436509957	/nfs/dbraw/zinc/50/99/57/436509957.db2.gz	UGVXYCYSTPLQFF-CABCVRRESA-N	1	0	349.460	0.751	40	0		ECABRO
CC(=O)N1CCC[C@]2(C(=O)N(C)C)C[N@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC000096083068	436511547	/nfs/dbraw/zinc/51/15/47/436511547.db2.gz	PCCJWUAKUFHWAN-AEFFLSMTSA-N	1	0	347.463	0.569	40	0		ECABRO
COCC[N@@H+]1CC2(C[C@H]1COC)CCN(S(=O)(=O)N(C)C)CC2	ZINC000096206121	436523830	/nfs/dbraw/zinc/52/38/30/436523830.db2.gz	DPYCGUMCBZARTQ-AWEZNQCLSA-N	1	0	349.497	0.242	40	0		ECABRO
Cn1ccc(C(=O)N2CCC[C@@]3(C2)COCCN(CC[NH+](C)C)C3)n1	ZINC000096228833	436527350	/nfs/dbraw/zinc/52/73/50/436527350.db2.gz	UTCUXOIVOYNUTH-GOSISDBHSA-N	1	0	349.479	0.536	40	0		ECABRO
[NH3+][C@@H]1CCN(c2nccn3c(=O)n(Cc4ccc(F)cc4)nc23)C1	ZINC000096530699	436533741	/nfs/dbraw/zinc/53/37/41/436533741.db2.gz	GCQRXGZYLFJDBU-CYBMUJFWSA-N	1	0	328.351	0.616	40	0		ECABRO
O=C(NCCN1CC[NH2+]CC1)C(=O)Nc1cccc(Cl)c1Cl	ZINC000059417691	436631756	/nfs/dbraw/zinc/63/17/56/436631756.db2.gz	MOEPNTJMWSYFOK-UHFFFAOYSA-N	1	0	345.230	0.953	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3cnc(C)cn3)CC2)OC[C@]1(C)O	ZINC000257339816	436874554	/nfs/dbraw/zinc/87/45/54/436874554.db2.gz	ZDIZFURGLTYDAG-HOCLYGCPSA-N	1	0	334.420	0.519	40	0		ECABRO
Cn1c(=O)oc2ccc(C(=O)N3C[C@@H](O)[C@H]([NH+]4CCCC4)C3)cc21	ZINC000257263843	436862771	/nfs/dbraw/zinc/86/27/71/436862771.db2.gz	LRSKOLIJBDRZDT-ZIAGYGMSSA-N	1	0	331.372	0.413	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2ccnc(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257288575	436863676	/nfs/dbraw/zinc/86/36/76/436863676.db2.gz	PUUSZSOMUITIDT-OAHLLOKOSA-N	1	0	347.463	0.444	40	0		ECABRO
CNC(=O)[C@H]1CN(c2nc(C)cc(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257343313	436874771	/nfs/dbraw/zinc/87/47/71/436874771.db2.gz	ZSJDZZGMRNTIMF-OAHLLOKOSA-N	1	0	347.463	0.757	40	0		ECABRO
C[NH+](C)[C@@H]1[C@@H](O)[C@H](Oc2cccnc2)C[C@H]1NC(=O)c1cccnc1	ZINC000257316875	436871276	/nfs/dbraw/zinc/87/12/76/436871276.db2.gz	VHJLWFQCDQOOIZ-NCOADZHNSA-N	1	0	342.399	0.717	40	0		ECABRO
NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1	ZINC000257328784	436871773	/nfs/dbraw/zinc/87/17/73/436871773.db2.gz	XHCOLBWCKQEMRF-CYBMUJFWSA-N	1	0	327.388	0.669	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)Cn3ccnc3)CC2)OC[C@]1(C)O	ZINC000257327452	436873468	/nfs/dbraw/zinc/87/34/68/436873468.db2.gz	XBKLNYYVRYUJKO-HOCLYGCPSA-N	1	0	336.436	0.346	40	0		ECABRO
C[NH+](C)CCC(=O)N1Cc2ccnn2[C@@H](C(=O)N2CCCCO2)C1	ZINC000575405968	438747795	/nfs/dbraw/zinc/74/77/95/438747795.db2.gz	VWDXBOOBONKQPS-CQSZACIVSA-N	1	0	335.408	0.272	40	0		ECABRO
[NH3+][C@H]1CO[C@@H](C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H]1O	ZINC000514288393	438812745	/nfs/dbraw/zinc/81/27/45/438812745.db2.gz	CFYYUKLIFBBFLF-SOUVJXGZSA-N	1	0	345.365	0.914	40	0	biogenic,in-vitro	ECABRO
C[C@@H](C(=O)NCC[NH+](C)C)N(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000224745233	564043649	/nfs/dbraw/zinc/04/36/49/564043649.db2.gz	COQDFJWKISYYRX-JTQLQIEISA-N	1	0	349.403	0.797	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1cnccn1)CCC2	ZINC000096058833	282109181	/nfs/dbraw/zinc/10/91/81/282109181.db2.gz	MWIUAJPWZRLQMZ-UHFFFAOYSA-N	1	0	345.407	0.192	40	0		ECABRO
COCCN1C(=O)[C@H]2[C@@H](C)[NH2+][C@]3(C(=O)Nc4ccc(F)cc43)[C@@H]2C1=O	ZINC000103515467	219311410	/nfs/dbraw/zinc/31/14/10/219311410.db2.gz	QJIUVPWGPQBSDY-JOOGKSIWSA-N	1	0	347.346	0.212	40	0		ECABRO
Cc1cc(Nc2cnccn2)nc([C@@H]2CCCN(C(=O)C[NH3+])C2)n1	ZINC000072360885	216167116	/nfs/dbraw/zinc/16/71/16/216167116.db2.gz	CQFPIZGBEBAYMX-GFCCVEGCSA-N	1	0	327.392	0.983	40	0		ECABRO
CCS(=O)(=O)[C@H]1[C@@H](c2ccc3c(c2)OCO3)[C@@]1(C[NH3+])COC	ZINC000218145820	241301472	/nfs/dbraw/zinc/30/14/72/241301472.db2.gz	LLXSNSPNPDJJQN-QLFBSQMISA-N	1	0	327.402	0.907	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	ZINC000020511765	212141386	/nfs/dbraw/zinc/14/13/86/212141386.db2.gz	UKUGTHSANDDSEY-CQSZACIVSA-N	1	0	346.497	0.107	40	0		ECABRO
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)NCC[NH+](C)C)cc1	ZINC000020484422	212136814	/nfs/dbraw/zinc/13/68/14/212136814.db2.gz	GBATWQCNMVYKLS-UHFFFAOYSA-N	1	0	328.438	0.221	40	0		ECABRO
CN(CCc1ccccn1)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H]([NH2+]CC2CC2)[C@@H]1O	ZINC000020463996	212134880	/nfs/dbraw/zinc/13/48/80/212134880.db2.gz	MKBZTZYUYAOEBD-HSFUPAIVSA-N	1	0	333.432	0.409	40	0	biogenic,in-vitro	ECABRO
Cc1cc(C)nc(N2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)n1	ZINC000257205335	244132665	/nfs/dbraw/zinc/13/26/65/244132665.db2.gz	AYOSAEFUXOXSKX-CQSZACIVSA-N	1	0	333.436	0.496	40	0		ECABRO
Cc1ccsc1C[N@@H+]1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	ZINC000257225085	244198367	/nfs/dbraw/zinc/19/83/67/244198367.db2.gz	FETDJYPUJZBHHT-NSHDSACASA-N	1	0	331.463	0.235	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCn2ncc3ccccc32)C[C@@H](C(N)=O)C1	ZINC000257226072	244202741	/nfs/dbraw/zinc/20/27/41/244202741.db2.gz	FJADJRKSDOJJRS-AWEZNQCLSA-N	1	0	329.404	0.302	40	0		ECABRO
C[C@H]1CCc2c(sc(NC(=O)CN3CC[NH2+]CC3)c2C(N)=O)C1	ZINC000019497184	212032135	/nfs/dbraw/zinc/03/21/35/212032135.db2.gz	VIKKQGVAWJOUOM-JTQLQIEISA-N	1	0	336.461	0.816	40	0		ECABRO
CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[NH+](C)C)c1	ZINC000267511249	251117711	/nfs/dbraw/zinc/11/77/11/251117711.db2.gz	BYQGVGVDOCICMM-UHFFFAOYSA-N	1	0	349.478	0.119	40	0		ECABRO
CNc1ncccc1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257320131	277306044	/nfs/dbraw/zinc/30/60/44/277306044.db2.gz	VVMIFFDOXNGAKI-OAHLLOKOSA-N	1	0	347.463	0.521	40	0		ECABRO
CN([C@@H](C(=O)NC1CC[NH+](C)CC1)c1ccccc1)S(C)(=O)=O	ZINC000224663655	289777646	/nfs/dbraw/zinc/77/76/46/289777646.db2.gz	YVUWVJOAGIMDOV-OAHLLOKOSA-N	1	0	339.461	0.830	40	0		ECABRO
Cc1ccccc1OC[C@H](O)C[NH2+]CCn1cc(C)c(=O)[nH]c1=O	ZINC000001532362	435959612	/nfs/dbraw/zinc/95/96/12/435959612.db2.gz	RETPFDTUCPKFEC-CQSZACIVSA-N	1	0	333.388	0.183	40	0	in-man	ECABRO
O=C1N=C(NCN2CCCCC2)S[C@]1(CO)C[NH+]1CCCCC1	ZINC000006760974	436002770	/nfs/dbraw/zinc/00/27/70/436002770.db2.gz	SXPYOYCBXCAXHO-INIZCTEOSA-N	1	0	340.493	0.866	40	0		ECABRO
Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCC[NH+](C)C)cc1	ZINC000013688687	436063923	/nfs/dbraw/zinc/06/39/23/436063923.db2.gz	GVIQTZQRILNBRD-UHFFFAOYSA-N	1	0	327.450	0.683	40	0		ECABRO
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2cccnc2)[C@@H]1O)c1ccc(F)cc1	ZINC000077264432	436229055	/nfs/dbraw/zinc/22/90/55/436229055.db2.gz	GHEPRKMYHAESEM-ZACQAIPSSA-N	1	0	345.374	0.869	40	0	biogenic,in-vitro	ECABRO
CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)Nc3ccccc3)[C@H]2O)CC1	ZINC000077265475	436231088	/nfs/dbraw/zinc/23/10/88/436231088.db2.gz	HFHGUYITTYZCKE-ZACQAIPSSA-N	1	0	348.447	0.620	40	0	biogenic,in-vitro	ECABRO
Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@H+](C[C@H]4CCOC4)CC[C@H]32)cn1	ZINC000096185328	436519911	/nfs/dbraw/zinc/51/99/11/436519911.db2.gz	DOMDNEAFTDZVMP-DZUCGIPZSA-N	1	0	348.447	0.523	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2ccccn2)C3)cn1	ZINC000096199175	436520478	/nfs/dbraw/zinc/52/04/78/436520478.db2.gz	DZKAJNCDSODZML-AWEZNQCLSA-N	1	0	325.376	0.762	40	0		ECABRO
COCCNC(=O)[C@@H]1C[N@H+](Cc2cccc(C)n2)C[C@H]2OCC[C@H]21	ZINC000096038858	436504718	/nfs/dbraw/zinc/50/47/18/436504718.db2.gz	VRSIQHPHQDGPQL-GVDBMIGSSA-N	1	0	333.432	0.990	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cc(C)on3)C[C@H]21	ZINC000096040835	436504925	/nfs/dbraw/zinc/50/49/25/436504925.db2.gz	SWSZYWMJEWNNMJ-FMKPAKJESA-N	1	0	337.420	0.830	40	0		ECABRO
CCn1nnc2c1[C@H](COCC[NH+](C)C)CN(S(=O)(=O)CC)C2	ZINC000096045539	436505946	/nfs/dbraw/zinc/50/59/46/436505946.db2.gz	CTLDPFACXOAUQK-LBPRGKRZSA-N	1	0	345.469	0.125	40	0		ECABRO
O=C([C@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@H]2O1)N1CCOCC1	ZINC000096066094	436509018	/nfs/dbraw/zinc/50/90/18/436509018.db2.gz	QPCNKMQVLJIWDK-GVDBMIGSSA-N	1	0	338.448	0.751	40	0		ECABRO
Cc1cnc(C(=O)N2CCC3(CC2)C(=O)NCC[N@H+]3CC(C)C)cn1	ZINC000096230178	436527255	/nfs/dbraw/zinc/52/72/55/436527255.db2.gz	JEJZVALNUPQITF-UHFFFAOYSA-N	1	0	345.447	0.848	40	0		ECABRO
COc1ccc(C[N@H+](C)C[C@]2(O)CCN(C(=O)CNC(C)=O)C2)cc1	ZINC000257284212	436861672	/nfs/dbraw/zinc/86/16/72/436861672.db2.gz	PBTXQRCCDPPNFX-GOSISDBHSA-N	1	0	349.431	0.227	40	0		ECABRO
Cc1ccc(CN2C(=O)C[C@]23COCCN(C(=O)C[NH+](C)C)C3)cc1	ZINC000257311614	436868845	/nfs/dbraw/zinc/86/88/45/436868845.db2.gz	UKHXESBDQGLNFC-IBGZPJMESA-N	1	0	345.443	0.887	40	0		ECABRO
CC(=O)N1CCC(O)(C[N@@H+]2CCOC[C@@H](Cc3ccncn3)C2)CC1	ZINC000257319758	436870549	/nfs/dbraw/zinc/87/05/49/436870549.db2.gz	VTYPOHXWEBJCPF-INIZCTEOSA-N	1	0	348.447	0.341	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCc2cc(Cl)no2)CC[N@H+](C)C1	ZINC000257326027	436873602	/nfs/dbraw/zinc/87/36/02/436873602.db2.gz	WVMBIUTVJLXDNQ-SNVBAGLBSA-N	1	0	328.800	0.397	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(C)=O)CC[N@H+](CC2=Cc3ccccc3OC2)C1	ZINC000257334626	436873869	/nfs/dbraw/zinc/87/38/69/436873869.db2.gz	YGSCNMIABJQRGR-KRWDZBQOSA-N	1	0	343.427	0.989	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C(N)=O)C1	ZINC000257337339	436875377	/nfs/dbraw/zinc/87/53/77/436875377.db2.gz	YSKUVJWBGRSVNT-INIZCTEOSA-N	1	0	346.431	0.154	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](CC[NH+]2CCCCC2)C1	ZINC000306139950	437168250	/nfs/dbraw/zinc/16/82/50/437168250.db2.gz	UFBQVGLGZSVBMU-OAHLLOKOSA-N	1	0	341.481	0.922	40	0		ECABRO
O=C(CN1CCOCC1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257264633	303615249	/nfs/dbraw/zinc/61/52/49/303615249.db2.gz	LVJMMDPQWBDMQV-HNNXBMFYSA-N	1	0	347.406	0.013	40	0		ECABRO
Cn1cc(N2C[C@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2=O)ccc1=O	ZINC000585099422	439628977	/nfs/dbraw/zinc/62/89/77/439628977.db2.gz	IVXYHDMLSNSNSW-MAUKXSAKSA-N	1	0	331.416	0.993	40	0		ECABRO
O=C(C1CC[NH2+]CC1)N1CCO[C@](CO)(Cc2cccc(F)c2)C1	ZINC000585278525	439639117	/nfs/dbraw/zinc/63/91/17/439639117.db2.gz	UERVWVCFIUMWCB-GOSISDBHSA-N	1	0	336.407	0.958	40	0		ECABRO
COCCN1C(=O)CO[C@H]2C[N@@H+](CC3(O)CCCCCC3)C[C@@H]21	ZINC000585283292	439640202	/nfs/dbraw/zinc/64/02/02/439640202.db2.gz	MZOAHKZFJRBIPP-GJZGRUSLSA-N	1	0	326.437	0.630	40	0		ECABRO
CC(=O)N1CCCN(C(=O)[C@@H]2CN(c3ccc(F)cc3)CC[NH2+]2)CC1	ZINC000257336739	517352784	/nfs/dbraw/zinc/35/27/84/517352784.db2.gz	YPUPNZXYYCFADL-KRWDZBQOSA-N	1	0	348.422	0.685	40	0		ECABRO
CC1(C)NC(=O)N(CC(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)C1=O	ZINC000257241963	534972686	/nfs/dbraw/zinc/97/26/86/534972686.db2.gz	IAKUDXGURPCJOK-CYBMUJFWSA-N	1	0	330.388	0.490	40	0		ECABRO
C[N@H+](CCC(=O)N1CC[C@H]2OCC(=O)N[C@H]2C1)Cc1ccccn1	ZINC000257235803	536304346	/nfs/dbraw/zinc/30/43/46/536304346.db2.gz	GZOGCDVOKWMCJK-LSDHHAIUSA-N	1	0	332.404	0.019	40	0		ECABRO
C[NH+](C)Cc1ccnc([C@@H]2CCCN2C(=O)CCN2CCOCC2)n1	ZINC000257245565	282150253	/nfs/dbraw/zinc/15/02/53/282150253.db2.gz	IQDATQMGSGNVHR-INIZCTEOSA-N	1	0	347.463	0.924	40	0		ECABRO
CC(C)(CNC(N)=O)[NH2+]C[C@@H](O)COC(=O)c1ccccc1F	ZINC000002017625	209810781	/nfs/dbraw/zinc/81/07/81/209810781.db2.gz	ZPLOQFLCMVIWRY-SNVBAGLBSA-N	1	0	327.356	0.380	40	0	in-man	ECABRO
CNC(=O)c1cccc(C[C@@H]2COCC[N@H+](Cc3cnn(C)c3)C2)n1	ZINC000072382818	216183728	/nfs/dbraw/zinc/18/37/28/216183728.db2.gz	DOCSXFUFBXMAPJ-AWEZNQCLSA-N	1	0	343.431	0.866	40	0		ECABRO
C[C@H]1c2ncc(CN3CC[NH+](C)CC3)n2CCN1Cc1cnn(C)c1	ZINC000096062009	291327610	/nfs/dbraw/zinc/32/76/10/291327610.db2.gz	JIBHXICIRXCBOZ-HNNXBMFYSA-N	1	0	343.479	0.941	40	0		ECABRO
[NH3+]CCc1ccc(C(=O)N[C@@H]2CCC[C@@H](N3CCOCC3)[C@@H]2O)cc1	ZINC000257204272	244130767	/nfs/dbraw/zinc/13/07/67/244130767.db2.gz	ATTUYXUYDRYCPI-KZNAEPCWSA-N	1	0	347.459	0.532	40	0		ECABRO
C[NH2+]CCOc1cccc(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)c1	ZINC000257209292	244145996	/nfs/dbraw/zinc/14/59/96/244145996.db2.gz	BPUMDQSUUJZCGT-LSDHHAIUSA-N	1	0	333.388	0.014	40	0		ECABRO
Cc1cc(N2CC[C@](O)(CNC(=O)C[NH+]3CCC(C)CC3)C2)ncn1	ZINC000257216651	244169803	/nfs/dbraw/zinc/16/98/03/244169803.db2.gz	CVNOVLCFQYUSPY-SFHVURJKSA-N	1	0	347.463	0.574	40	0		ECABRO
Nc1cc(CC[C@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)cc[nH+]1	ZINC000257229551	244207563	/nfs/dbraw/zinc/20/75/63/244207563.db2.gz	FYMPOVNCAUUXLO-LBPRGKRZSA-N	1	0	337.405	0.409	40	0		ECABRO
COc1cccc2cc(C(=O)OCCN3CC[NH2+]CC3)c(=O)oc21	ZINC000020219143	212113295	/nfs/dbraw/zinc/11/32/95/212113295.db2.gz	DICKPKHMASLYSV-UHFFFAOYSA-N	1	0	332.356	0.864	40	0		ECABRO
Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccn[nH]3)C2)s1	ZINC000257233171	244219856	/nfs/dbraw/zinc/21/98/56/244219856.db2.gz	GOCOYFHSCHMOCK-HIFRSBDPSA-N	1	0	336.417	0.117	40	0		ECABRO
C[N@@H+]1CC[C@H](c2nc(CNC(=O)CN3CCCCCC3=O)c[nH]2)C1	ZINC000257246184	244258150	/nfs/dbraw/zinc/25/81/50/244258150.db2.gz	ISXJMZHNPDKRBR-ZDUSSCGKSA-N	1	0	333.436	0.848	40	0		ECABRO
Cc1nn(C)c(C)c1CN1CC[N@@H+](C2CCOCC2)C[C@H](C(N)=O)C1	ZINC000257263041	244352650	/nfs/dbraw/zinc/35/26/50/244352650.db2.gz	LOCVXDVJVQZYOU-OAHLLOKOSA-N	1	0	349.479	0.435	40	0		ECABRO
CN(C)c1ncc(F)c(CC2CC3(C2)COCC[N@H+](CCO)C3)n1	ZINC000257264650	244358142	/nfs/dbraw/zinc/35/81/42/244358142.db2.gz	LVLDZLYSGNBLIU-UHFFFAOYSA-N	1	0	338.427	0.945	40	0		ECABRO
COc1ccc(C(=O)N2CC[C@](O)(C[NH+]3CCN(C)CC3)C2)cc1	ZINC000257273774	244387207	/nfs/dbraw/zinc/38/72/07/244387207.db2.gz	NICXPDQMBMSVGZ-SFHVURJKSA-N	1	0	333.432	0.520	40	0		ECABRO
COc1ccccc1CN1CC[C@@H]([NH+]2CCC(C(N)=O)CC2)[C@H](O)C1	ZINC000019570537	212044425	/nfs/dbraw/zinc/04/44/25/212044425.db2.gz	KHUSXGGGVSYDRY-IAGOWNOFSA-N	1	0	347.459	0.828	40	0		ECABRO
CC1(C)OC(=O)C[C@@H]1C(=O)N1CCc2nc([C@@H]3CC[NH2+]C3)ncc2C1	ZINC000019460483	212030313	/nfs/dbraw/zinc/03/03/13/212030313.db2.gz	RVFFRHRDUAWNFT-DGCLKSJQSA-N	1	0	344.415	0.780	40	0		ECABRO
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@@]1(C[NH3+])CO	ZINC000218192314	278117131	/nfs/dbraw/zinc/11/71/31/278117131.db2.gz	RJIROVUMEBHVLO-IJLUTSLNSA-N	1	0	334.235	0.897	40	0		ECABRO
Cn1ccnc1C(=O)N[C@@H]1C[N@@H+](C2CCOCC2)[C@@H]2CCCO[C@H]12	ZINC000096185937	279373039	/nfs/dbraw/zinc/37/30/39/279373039.db2.gz	IQORYKWCLWYMON-RBSFLKMASA-N	1	0	334.420	0.561	40	0		ECABRO
CC[NH+](CC)CCN(S(C)(=O)=O)S(=O)(=O)c1ccccc1	ZINC000005453254	435988385	/nfs/dbraw/zinc/98/83/85/435988385.db2.gz	WTIXXZOJHDWNLQ-UHFFFAOYSA-N	1	0	334.463	0.979	40	0		ECABRO
CC(=O)N[C@]12CN(S(=O)(=O)c3ccccc3)C[C@H]1C[N@H+](C)CC2	ZINC000019713008	436108433	/nfs/dbraw/zinc/10/84/33/436108433.db2.gz	UYAZVUIJUBEIAQ-GDBMZVCRSA-N	1	0	337.445	0.518	40	0		ECABRO
CN(C)C(=O)CN1CCC2(CC[NH+](Cc3cnn(C)c3)CC2)C1=O	ZINC000096157798	436518115	/nfs/dbraw/zinc/51/81/15/436518115.db2.gz	XGUMNHBHXFLFIP-UHFFFAOYSA-N	1	0	333.436	0.323	40	0		ECABRO
Cn1cc(C(=O)NC[C@@H]2OC[C@H]3C[N@H+](C[C@@H]4CCOC4)CC[C@H]32)cn1	ZINC000096185327	436519920	/nfs/dbraw/zinc/51/99/20/436519920.db2.gz	DOMDNEAFTDZVMP-SVGFKBNWSA-N	1	0	348.447	0.523	40	0		ECABRO
O=C([C@@H]1COC[C@H]2C[N@H+](Cc3ccccn3)C[C@H]21)N1CCOCC1	ZINC000096038598	436505387	/nfs/dbraw/zinc/50/53/87/436505387.db2.gz	USJYORVRESQPED-DJIMGWMZSA-N	1	0	331.416	0.635	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2CC1CCOCC1	ZINC000096057873	436508386	/nfs/dbraw/zinc/50/83/86/436508386.db2.gz	MDJWWSVOWQTTKV-ZMSDIMECSA-N	1	0	326.437	0.750	40	0		ECABRO
C[NH+](C)CC(=O)N1CC2(C1)CCN(S(=O)(=O)c1ccccc1)C2	ZINC000096202418	436523897	/nfs/dbraw/zinc/52/38/97/436523897.db2.gz	FYEQTNBWMBWTTL-UHFFFAOYSA-N	1	0	337.445	0.471	40	0		ECABRO
CCS(=O)(=O)N1CC[C@@H](OC)[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21	ZINC000096217494	436524845	/nfs/dbraw/zinc/52/48/45/436524845.db2.gz	JWUHYKFYPQVDSL-ARFHVFGLSA-N	1	0	339.461	0.952	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@]3(C2)C(=O)NC[C@@H]3COc2ccccn2)cn1	ZINC000096218374	436525561	/nfs/dbraw/zinc/52/55/61/436525561.db2.gz	UWOKUYRRNGKFNG-CRAIPNDOSA-N	1	0	341.415	0.832	40	0		ECABRO
Cc1noc(C)c1C[NH2+]C[C@@]1(COc2cnccn2)C[C@@H](O)[C@@H](O)C1	ZINC000107430557	436612385	/nfs/dbraw/zinc/61/23/85/436612385.db2.gz	NZHKAHFVLNLLFQ-SCAQPMJSSA-N	1	0	348.403	0.752	40	0	biogenic,in-vitro	ECABRO
O=C(N[C@@H]1C[N@@H+](C2CCOCC2)C[C@@H]2CCCO[C@H]12)c1cnccn1	ZINC000107713350	436614566	/nfs/dbraw/zinc/61/45/66/436614566.db2.gz	YDHNOXRJGHTSIT-XKQJLSEDSA-N	1	0	346.431	0.865	40	0		ECABRO
CC(=O)NCC(=O)N1CC[C@@H]2OCCN(Cc3ccncc3)[C@H]2C1	ZINC000108525150	436619521	/nfs/dbraw/zinc/61/95/21/436619521.db2.gz	JBMIAZAFRUGCMQ-HOTGVXAUSA-N	1	0	332.404	0.019	40	0		ECABRO
C(CN1CCOCC1)OC[C@@H]1CC[C@H]2[C@H](CC[N@@H+]2[C@@H]2CCOC2)O1	ZINC000247899411	436798213	/nfs/dbraw/zinc/79/82/13/436798213.db2.gz	VNUKIGKABVFRSG-OWSLCNJRSA-N	1	0	340.464	0.746	40	0		ECABRO
CCc1cnc(N2C[C@H]3C[C@@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)nc1	ZINC000248042160	436799101	/nfs/dbraw/zinc/79/91/01/436799101.db2.gz	VUVQFWIBEFHUQP-RBSFLKMASA-N	1	0	333.436	0.311	40	0		ECABRO
C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)CNS(C)(=O)=O)nc1	ZINC000257292267	436862974	/nfs/dbraw/zinc/86/29/74/436862974.db2.gz	QKSPFCGNOJMJQO-CQSZACIVSA-N	1	0	340.449	0.356	40	0		ECABRO
Cc1cn(C)c([C@H]2CC[N@@H+](C3CCN(S(C)(=O)=O)CC3)C2)n1	ZINC000257296286	436866680	/nfs/dbraw/zinc/86/66/80/436866680.db2.gz	RCBKZXNKHKVWMI-ZDUSSCGKSA-N	1	0	326.466	0.942	40	0		ECABRO
CN(C[C@@]1(O)CCN(c2cnccn2)C1)C(=O)C[NH+]1CCCCC1	ZINC000257304438	436866808	/nfs/dbraw/zinc/86/68/08/436866808.db2.gz	SLQSRYGOQBSDHP-KRWDZBQOSA-N	1	0	333.436	0.362	40	0		ECABRO
COc1ccc2[nH]cc(C(=O)N3[C@@H](CC(N)=O)CC[C@H]3C[NH3+])c2c1	ZINC000257336307	436873865	/nfs/dbraw/zinc/87/38/65/436873865.db2.gz	YNVSBWCFPFASGA-MNOVXSKESA-N	1	0	330.388	0.984	40	0		ECABRO
C[C@@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329033246	437305536	/nfs/dbraw/zinc/30/55/36/437305536.db2.gz	QRWFSUXNDJYEEK-JTQLQIEISA-N	1	0	347.385	0.934	40	0		ECABRO
CC(=O)N1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514289267	438813662	/nfs/dbraw/zinc/81/36/62/438813662.db2.gz	KODQEKSVFNWFJZ-QZTJIDSGSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCN1CCOCC2(CCN(C(=O)C3CC(O)C3)CC2)C1	ZINC000585102421	439629819	/nfs/dbraw/zinc/62/98/19/439629819.db2.gz	BURURKYSKDYDJU-UHFFFAOYSA-N	1	0	339.480	0.260	40	0		ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@@H]1CN1CCC(F)(F)C1	ZINC000585098626	439630045	/nfs/dbraw/zinc/63/00/45/439630045.db2.gz	ZTXKCKIDLGLIME-CYBMUJFWSA-N	1	0	341.406	0.887	40	0		ECABRO
CCOC(=O)[C@@]12C[N@H+](C)C[C@@H]1CN(C(=O)c1ncn(C)n1)CCC2	ZINC000585108199	439631505	/nfs/dbraw/zinc/63/15/05/439631505.db2.gz	QYFBUQDUTAHKRQ-WBMJQRKESA-N	1	0	335.408	0.162	40	0		ECABRO
CO[C@@H]1COC[C@@H]([N@H+](C)Cc2cccc(OCC[NH+](C)C)c2)[C@@H]1O	ZINC000585291599	439641188	/nfs/dbraw/zinc/64/11/88/439641188.db2.gz	QOKCQJAPUXJABU-KURKYZTESA-N	1	0	338.448	0.834	40	0		ECABRO
CCCN(Cc1cc2c(cc1OC)OCO2)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585290298	439642229	/nfs/dbraw/zinc/64/22/29/439642229.db2.gz	BFPQMERZQATGAG-XNJGSVPQSA-N	1	0	339.388	0.757	40	0		ECABRO
CC(C)CC[NH2+]C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	ZINC000585291884	439642240	/nfs/dbraw/zinc/64/22/40/439642240.db2.gz	UWWSWLHMGPTZJZ-CVEARBPZSA-N	1	0	342.461	0.419	40	0		ECABRO
CC[N@H+](C)CCN1C(C)=CC(=C2C(=O)NC(=S)NC2=O)C=C1C	ZINC000584906275	439626117	/nfs/dbraw/zinc/62/61/17/439626117.db2.gz	NQWWPKNLTZRRGC-UHFFFAOYSA-N	1	0	334.445	0.889	40	0		ECABRO
CN(c1cnccn1)[C@@H]1CC[C@@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]12	ZINC000257271920	536302133	/nfs/dbraw/zinc/30/21/33/536302133.db2.gz	NAIYCMOOZYOGOE-OWCLPIDISA-N	1	0	345.447	0.482	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)Cc3cccc(F)c3)C2)CC1	ZINC000257206244	536414163	/nfs/dbraw/zinc/41/41/63/536414163.db2.gz	BCOHPXHYKWMWBN-SFHVURJKSA-N	1	0	335.423	0.579	40	0		ECABRO
CN([C@H](C(=O)NCCC[NH+](C)C)c1ccccc1)S(C)(=O)=O	ZINC000224698716	282086855	/nfs/dbraw/zinc/08/68/55/282086855.db2.gz	MFNBROCARKYXBV-AWEZNQCLSA-N	1	0	327.450	0.687	40	0		ECABRO
CCN(CC)C(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2C(C)C)[N@@H+]1C	ZINC000035442526	213028795	/nfs/dbraw/zinc/02/87/95/213028795.db2.gz	INZSVMMQOHNSFI-UXLLHSPISA-N	1	0	338.496	0.917	40	0	biogenic,in-vitro	ECABRO
COc1ccc(Cl)cc1S(=O)(=O)NCCN1CC[NH2+]CC1	ZINC000022259059	212286825	/nfs/dbraw/zinc/28/68/25/212286825.db2.gz	WJTAZMCKWXQTDQ-UHFFFAOYSA-N	1	0	333.841	0.532	40	0		ECABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2cccs2)C[C@H]1O)c1ccccn1	ZINC000257206858	244137833	/nfs/dbraw/zinc/13/78/33/244137833.db2.gz	BFEPLUWSANHXNG-ZBFHGGJFSA-N	1	0	333.413	0.481	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@@H](c2cncc(Nc3cnccn3)n2)C1	ZINC000257217772	244175276	/nfs/dbraw/zinc/17/52/76/244175276.db2.gz	DANXRQFXHLMLDP-GFCCVEGCSA-N	1	0	327.392	0.936	40	0		ECABRO
CC[NH2+][C@@H]1CCOC2(CCN(S(=O)(=O)c3cnn(C)c3)CC2)C1	ZINC000257236165	244230193	/nfs/dbraw/zinc/23/01/93/244230193.db2.gz	HBAQACKETRIFSS-CYBMUJFWSA-N	1	0	342.465	0.732	40	0		ECABRO
CC(=O)N1CCC(c2nccnc2CNC(=O)[C@H]2CCC[N@H+]2C)CC1	ZINC000257271858	244379652	/nfs/dbraw/zinc/37/96/52/244379652.db2.gz	NABRNHVLFXFTQA-MRXNPFEDSA-N	1	0	345.447	0.913	40	0		ECABRO
COC(=O)C1=C(O)NC(N2CCN(C)CC2)=[NH+][C@H]1c1ccccc1	ZINC000019818038	212071546	/nfs/dbraw/zinc/07/15/46/212071546.db2.gz	ICYGTKXWRYSLGX-KBPBESRZSA-N	1	0	330.388	0.250	40	0		ECABRO
CC[NH+](CC)CCN1CC[C@H]2OCC[C@@]2(C(=O)N2CCOCC2)C1	ZINC000096038728	218520245	/nfs/dbraw/zinc/52/02/45/218520245.db2.gz	LQZYCKZRTNICOG-SJLPKXTDSA-N	1	0	339.480	0.668	40	0		ECABRO
COc1cc(N2CCC[C@@]3(CCN(CC[NH+](C)C)C3=O)C2)ncn1	ZINC000096073945	286229142	/nfs/dbraw/zinc/22/91/42/286229142.db2.gz	QSPCUVUFNMYZNS-QGZVFWFLSA-N	1	0	333.436	0.866	40	0		ECABRO
CC[NH+](CC)CCn1c(C)cn2c1nc1c2c(=O)n(C)c(=O)n1C	ZINC000033590069	276101901	/nfs/dbraw/zinc/10/19/01/276101901.db2.gz	QZDHPHZLHBFHAS-UHFFFAOYSA-N	1	0	332.408	0.337	40	0		ECABRO
COc1cc2c(cc1OC)[C@@H]1C[C@](CC(N)=O)(C(N)=O)CC[N@@H+]1CC2	ZINC000005766727	435992470	/nfs/dbraw/zinc/99/24/70/435992470.db2.gz	ZYLDOXRRCGMALP-SCLBCKFNSA-N	1	0	347.415	0.744	40	0		ECABRO
COCC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C	ZINC000019079633	436105715	/nfs/dbraw/zinc/10/57/15/436105715.db2.gz	GTLLJYZPOCKMOI-DZGCQCFKSA-N	1	0	349.431	0.489	40	0		ECABRO
Cc1cccc(C[N@@H+]2CC[C@H]3CO[C@H](CNS(C)(=O)=O)[C@H]3C2)n1	ZINC000096185450	436518609	/nfs/dbraw/zinc/51/86/09/436518609.db2.gz	UVTQLZYEHUIAFE-CWRNSKLLSA-N	1	0	339.461	0.776	40	0		ECABRO
CC[N@@H+]1C[C@H]2[C@@H](C1)N(S(=O)(=O)c1cn(C)cn1)CC[C@H]2OC	ZINC000096206449	436522691	/nfs/dbraw/zinc/52/26/91/436522691.db2.gz	BORPDDQSFHKPSR-YNEHKIRRSA-N	1	0	328.438	0.150	40	0		ECABRO
C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCN(c4ncccn4)C[C@@H]3O2)CC1	ZINC000096041026	436504566	/nfs/dbraw/zinc/50/45/66/436504566.db2.gz	VPTDWWHIDQVMQD-BPUTZDHNSA-N	1	0	345.447	0.671	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052043	436506573	/nfs/dbraw/zinc/50/65/73/436506573.db2.gz	ZWQPWHMZEXHXOV-GOEBONIOSA-N	1	0	344.477	0.682	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21	ZINC000096057202	436507054	/nfs/dbraw/zinc/50/70/54/436507054.db2.gz	KIEGWZDDIKLYDS-ZACQAIPSSA-N	1	0	340.464	0.760	40	0		ECABRO
COc1ccc(C[NH+]2CCC3(CC2)C(=O)N(CCO)CCN3C)cc1	ZINC000096050081	436507094	/nfs/dbraw/zinc/50/70/94/436507094.db2.gz	MFGVONRRQLIALO-UHFFFAOYSA-N	1	0	347.459	0.796	40	0		ECABRO
CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1cnn(C)c1)C2	ZINC000096060858	436508842	/nfs/dbraw/zinc/50/88/42/436508842.db2.gz	LWACESJLBRWFBE-OAHLLOKOSA-N	1	0	347.467	0.709	40	0		ECABRO
COCCn1cc2c(n1)[C@@H](CNC(=O)C1CC[NH+](C)CC1)OCC2	ZINC000096068166	436510439	/nfs/dbraw/zinc/51/04/39/436510439.db2.gz	RZURJRREINBVTG-OAHLLOKOSA-N	1	0	336.436	0.601	40	0		ECABRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3cc(C)nn3C)C2)C1	ZINC000096076385	436510820	/nfs/dbraw/zinc/51/08/20/436510820.db2.gz	MQNQTNBAPBTGDI-GOSISDBHSA-N	1	0	349.479	0.389	40	0		ECABRO
COCC(=O)N[C@@H]1COCCC12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096215822	436524399	/nfs/dbraw/zinc/52/43/99/436524399.db2.gz	SPHCPXNTUBLBMU-OAHLLOKOSA-N	1	0	336.436	0.554	40	0		ECABRO
CN(C)C(=O)CN1CC[C@]2(CCC[N@H+](Cc3cccn3C)C2)C1=O	ZINC000096224168	436525141	/nfs/dbraw/zinc/52/51/41/436525141.db2.gz	LSRUFXTWQMFJSJ-SFHVURJKSA-N	1	0	332.448	0.928	40	0		ECABRO
CS(=O)(=O)N1CCC2(C[N@H+](CC3CC3)C[C@]23CCNC3=O)CC1	ZINC000096243908	436527052	/nfs/dbraw/zinc/52/70/52/436527052.db2.gz	XUTQLMSDTPLFRM-INIZCTEOSA-N	1	0	341.477	0.260	40	0		ECABRO
COCCn1cnc2nnc3ccc(C(=O)NCC[NH+](C)C)cc3c21	ZINC000096264249	436528404	/nfs/dbraw/zinc/52/84/04/436528404.db2.gz	UFSMXVFZQYRNND-UHFFFAOYSA-N	1	0	342.403	0.917	40	0		ECABRO
C[NH+](C)CC(=O)N1CCCn2cnc(CNc3ncccn3)c2C1	ZINC000096259426	436528819	/nfs/dbraw/zinc/52/88/19/436528819.db2.gz	ZMGBWQQAQIZSEV-UHFFFAOYSA-N	1	0	329.408	0.579	40	0		ECABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2cccs2)C[C@H]1O)c1cscn1	ZINC000257336377	436874370	/nfs/dbraw/zinc/87/43/70/436874370.db2.gz	YODPJHSAJWNPAT-OCCSQVGLSA-N	1	0	339.442	0.542	40	0		ECABRO
CNC(=O)[C@@H]1CN(c2nc(C)cc(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257343312	436874562	/nfs/dbraw/zinc/87/45/62/436874562.db2.gz	ZSJDZZGMRNTIMF-HNNXBMFYSA-N	1	0	347.463	0.757	40	0		ECABRO
Cc1ncsc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257341757	436874713	/nfs/dbraw/zinc/87/47/13/436874713.db2.gz	ZLWLOWVWAKEAJZ-ZDUSSCGKSA-N	1	0	338.477	0.850	40	0		ECABRO
Cc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)cn1	ZINC000257306334	436869081	/nfs/dbraw/zinc/86/90/81/436869081.db2.gz	STWBGNNUJQOTPK-MRXNPFEDSA-N	1	0	332.448	0.788	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccc3[nH]c(C)nc3c2)CC[N@H+](C)C1	ZINC000257318704	436869890	/nfs/dbraw/zinc/86/98/90/436869890.db2.gz	VPALTNOWRNDRQI-CYBMUJFWSA-N	1	0	329.404	0.621	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](CC2CCOCC2)C[C@H]1O)c1ccccn1	ZINC000257342535	436874989	/nfs/dbraw/zinc/87/49/89/436874989.db2.gz	ZPBLVNRPJSKYGN-SJLPKXTDSA-N	1	0	349.431	0.036	40	0		ECABRO
C[NH+](C)CCCNc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1	ZINC000329064221	437312150	/nfs/dbraw/zinc/31/21/50/437312150.db2.gz	XHXBOKRHLFVNAL-UHFFFAOYSA-N	1	0	348.495	0.306	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2cccnc2)n1	ZINC000328967546	437295020	/nfs/dbraw/zinc/29/50/20/437295020.db2.gz	CUXKOGCXRCSULY-OAHLLOKOSA-N	1	0	342.447	0.947	40	0		ECABRO
COCCn1nccc1C(=O)N1CCC[C@@]2(CC[N@@H+]2CCOC)C1	ZINC000585101753	439629299	/nfs/dbraw/zinc/62/92/99/439629299.db2.gz	DRKRAJMRULURMV-QGZVFWFLSA-N	1	0	336.436	0.856	40	0		ECABRO
C[NH+](C)C[C@@H]1CCn2nccc2CN1S(=O)(=O)c1cccnc1	ZINC000585097283	439629557	/nfs/dbraw/zinc/62/95/57/439629557.db2.gz	JQMWOHQUWIFXNS-AWEZNQCLSA-N	1	0	335.433	0.803	40	0		ECABRO
COCC[N@@H+]1CCOC[C@@]2(CC(=O)N(Cc3c(C)noc3C)C2)C1	ZINC000585104993	439629764	/nfs/dbraw/zinc/62/97/64/439629764.db2.gz	XPCBLCIYYMHEBD-KRWDZBQOSA-N	1	0	337.420	0.989	40	0		ECABRO
CO[C@@H]1CC[N@H+](Cc2c[nH]nc2C)C[C@H]1CC(=O)N1CCOCC1	ZINC000585273319	439637273	/nfs/dbraw/zinc/63/72/73/439637273.db2.gz	BXJIRNSBOLSLSR-GDBMZVCRSA-N	1	0	336.436	0.804	40	0		ECABRO
CCOC(=O)N1CCC(O)(C[N@H+](C)[C@@]2(C)CCS(=O)(=O)C2)CC1	ZINC000585283287	439640289	/nfs/dbraw/zinc/64/02/89/439640289.db2.gz	MVPXLRFWZKMSKP-AWEZNQCLSA-N	1	0	348.465	0.479	40	0		ECABRO
O[C@@H]1COC[C@@H](N2CCN(Cc3ccc4[nH]ccc4c3)CC2)[C@@H]1O	ZINC000585290246	439641762	/nfs/dbraw/zinc/64/17/62/439641762.db2.gz	AEDQFYQIUGQFMR-KURKYZTESA-N	1	0	331.416	0.406	40	0		ECABRO
CCCn1nc(C)c(C(=O)N2CC[N@H+](C)C[C@H](C(=O)NC)C2)c1C	ZINC000257265976	535621387	/nfs/dbraw/zinc/62/13/87/535621387.db2.gz	MBBZJRGTRNXPTR-AWEZNQCLSA-N	1	0	335.452	0.660	40	0		ECABRO
C[NH+](C)CCN1CCOCC2(CCN(C(=O)[C@@H]3CCOC3)CC2)C1	ZINC000096239847	282101266	/nfs/dbraw/zinc/10/12/66/282101266.db2.gz	NUKCGTYYHWVFMT-MRXNPFEDSA-N	1	0	339.480	0.526	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2nccc2CN(C(=O)[C@@H]2CCOC2)C1	ZINC000096188993	282109131	/nfs/dbraw/zinc/10/91/31/282109131.db2.gz	VKJIHZGHDXJXAO-HUUCEWRRSA-N	1	0	336.436	0.456	40	0		ECABRO
CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218134151	241299643	/nfs/dbraw/zinc/29/96/43/241299643.db2.gz	CPFFRSNGZKOVOH-SOUVJXGZSA-N	1	0	327.402	0.907	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@@H](C(N)=O)C1	ZINC000257202044	244121107	/nfs/dbraw/zinc/12/11/07/244121107.db2.gz	AKFNBCLZQMFDSQ-NSHDSACASA-N	1	0	327.787	0.897	40	0		ECABRO
Cc1cc2ncc(C(=O)N3CCC[C@](O)(C[NH+](C)C)CC3)c(N)n2n1	ZINC000257242077	244247812	/nfs/dbraw/zinc/24/78/12/244247812.db2.gz	IAZZJRZGFCQELW-QGZVFWFLSA-N	1	0	346.435	0.539	40	0		ECABRO
O=C(c1cncnc1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257248912	244263816	/nfs/dbraw/zinc/26/38/16/244263816.db2.gz	JFTYZIHENQUKAF-CQSZACIVSA-N	1	0	326.347	0.785	40	0		ECABRO
C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)nc2)C[C@@H](C(N)=O)C1	ZINC000257255645	244282374	/nfs/dbraw/zinc/28/23/74/244282374.db2.gz	KIIFXRWOMCAQRO-INIZCTEOSA-N	1	0	325.416	0.993	40	0		ECABRO
CN(C)S(=O)(=O)N1CC[C@](O)(C[N@H+](C)Cc2ccc(F)cc2)C1	ZINC000257263516	244352767	/nfs/dbraw/zinc/35/27/67/244352767.db2.gz	LQHDERGZFWZFMC-HNNXBMFYSA-N	1	0	345.440	0.501	40	0		ECABRO
C[C@@H](C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[NH2+]C2)N1CCOCC1	ZINC000019078814	211998819	/nfs/dbraw/zinc/99/88/19/211998819.db2.gz	FRZSXXOOYYVGBR-XJKSGUPXSA-N	1	0	345.447	0.507	40	0		ECABRO
O=C(c1cnccn1)N1CCOC[C@]2(C[C@H](C[NH+]3CCCC3)CO2)C1	ZINC000096240653	218713991	/nfs/dbraw/zinc/71/39/91/218713991.db2.gz	QJJQJKFLPYREBR-QAPCUYQASA-N	1	0	346.431	0.820	40	0		ECABRO
COCC[NH+]1CCC2(CC1)O[C@H](C(=O)N1CCCC1)Cn1ccnc12	ZINC000096243702	285014091	/nfs/dbraw/zinc/01/40/91/285014091.db2.gz	NFXIXBNFRLXJNM-HNNXBMFYSA-N	1	0	348.447	0.842	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2[C@H](C[NH+]2CCCCC2)C1	ZINC000306142094	257924917	/nfs/dbraw/zinc/92/49/17/257924917.db2.gz	WPGPITCHIFOFNJ-CQSZACIVSA-N	1	0	327.454	0.532	40	0		ECABRO
COc1ccc2c(c1)C(=O)NC[C@@]1(CCCN(C(=O)[C@H](C)[NH3+])C1)O2	ZINC000012122831	286386350	/nfs/dbraw/zinc/38/63/50/286386350.db2.gz	ZLPRBAUHNDQSCV-APPDUMDISA-N	1	0	333.388	0.526	40	0		ECABRO
COCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@]1([NH2+][C@H]2C)C(=O)Nc2ccc(F)cc21	ZINC000103515469	292520769	/nfs/dbraw/zinc/52/07/69/292520769.db2.gz	QJIUVPWGPQBSDY-RSOSEEAYSA-N	1	0	347.346	0.212	40	0		ECABRO
Nc1nc2c(c(N)n1)C[C@@]1(CCCN(C(=O)C3CC[NH2+]CC3)CC1)O2	ZINC000257263092	295369878	/nfs/dbraw/zinc/36/98/78/295369878.db2.gz	LOIYLZOUJCOKIG-KRWDZBQOSA-N	1	0	346.435	0.327	40	0		ECABRO
CC(C)[NH2+]C[C@@H](O)COc1cccc2c1OC[C@H](O[N+](=O)[O-])C2	ZINC000005442195	435987891	/nfs/dbraw/zinc/98/78/91/435987891.db2.gz	OMCPLEZZPVJJIS-CHWSQXEVSA-N	1	0	326.349	0.936	40	0	world	ECABRO
C[NH+](C)CCCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2ccccc2O1	ZINC000020492928	436110885	/nfs/dbraw/zinc/11/08/85/436110885.db2.gz	WEGVYJICALSNFB-AWEZNQCLSA-N	1	0	341.433	0.282	40	0		ECABRO
CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)c3cccs3)[C@H]2O)CC1	ZINC000077265368	436231215	/nfs/dbraw/zinc/23/12/15/436231215.db2.gz	LAIWXHFVLUJKTB-NFAWXSAZSA-N	1	0	339.461	0.290	40	0	biogenic,in-vitro	ECABRO
CC(C)C(=O)N1CC[C@H]2[N@H+](C)CC[C@@]2(C(=O)N2CCOCC2)CC1	ZINC000096145296	436515189	/nfs/dbraw/zinc/51/51/89/436515189.db2.gz	UKPGWQPLABIVEJ-CRAIPNDOSA-N	1	0	337.464	0.814	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCC(=O)N3CCN2CCOCC2)cn1	ZINC000096186314	436520163	/nfs/dbraw/zinc/52/01/63/436520163.db2.gz	GEHYQRHQIVPRRE-IRXDYDNUSA-N	1	0	347.463	0.318	40	0		ECABRO
Cn1cc(C(=O)NCc2cnc3n2CC[N@H+]([C@@H]2CCOC2)CC3)cn1	ZINC000096197079	436521041	/nfs/dbraw/zinc/52/10/41/436521041.db2.gz	KHELIIGPGZLJEH-CQSZACIVSA-N	1	0	344.419	0.194	40	0		ECABRO
O=C(c1cnccn1)N1CCO[C@H]2[C@H](OCC[NH+]3CCCC3)CC[C@@H]21	ZINC000096041627	436504399	/nfs/dbraw/zinc/50/43/99/436504399.db2.gz	FOVAFPIRNRASII-GVDBMIGSSA-N	1	0	346.431	0.961	40	0		ECABRO
C[NH+](C)CC(=O)NC[C@H]1OCCc2cn(Cc3ccccn3)nc21	ZINC000096044462	436504508	/nfs/dbraw/zinc/50/45/08/436504508.db2.gz	IICGHWQMOAMANV-OAHLLOKOSA-N	1	0	329.404	0.618	40	0		ECABRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3cccnc3)C2)C1	ZINC000096049492	436506293	/nfs/dbraw/zinc/50/62/93/436506293.db2.gz	JZOGFVSGROLXFR-GOSISDBHSA-N	1	0	332.448	0.742	40	0		ECABRO
O=C([C@H]1CC[C@@H]2[C@@H](CC[N@@H+]2CC2CCOCC2)O1)N1CCOCC1	ZINC000096057500	436506581	/nfs/dbraw/zinc/50/65/81/436506581.db2.gz	XEKONYZMJMCIGV-BRWVUGGUSA-N	1	0	338.448	0.894	40	0		ECABRO
O=C(c1ccncc1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096054385	436506747	/nfs/dbraw/zinc/50/67/47/436506747.db2.gz	KDEPILCBBYJQNE-SJORKVTESA-N	1	0	330.432	0.703	40	0		ECABRO
CCOCC[N@@H+]1CC[C@H]2C[C@@H](C(=O)NCc3cnc(C)cn3)O[C@@H]2C1	ZINC000096066225	436508821	/nfs/dbraw/zinc/50/88/21/436508821.db2.gz	TUPYLAUEGIDOQT-BHYGNILZSA-N	1	0	348.447	0.917	40	0		ECABRO
CC(C)NC(=O)N1Cc2nccn2C[C@H](C[NH+]2CCN(C)CC2)C1	ZINC000096067038	436509986	/nfs/dbraw/zinc/50/99/86/436509986.db2.gz	LRJXDMPZRBVBQS-HNNXBMFYSA-N	1	0	334.468	0.680	40	0		ECABRO
CNC(=O)[C@@H](Cc1ccccc1)N1CCC[C@H]1C(=O)NCC[NH+](C)C	ZINC000096113018	436513127	/nfs/dbraw/zinc/51/31/27/436513127.db2.gz	WGDQFBPZVNXXDG-DLBZAZTESA-N	1	0	346.475	0.486	40	0	biogenic,in-vitro	ECABRO
CS(=O)(=O)N[C@@H]1COCCC12CC[NH+](CC1CCOCC1)CC2	ZINC000096219965	436524486	/nfs/dbraw/zinc/52/44/86/436524486.db2.gz	VTXACOJSEPLJTM-OAHLLOKOSA-N	1	0	346.493	0.833	40	0		ECABRO
CC[N@@H+]1CC2(CCN(S(=O)(=O)C3CC3)CC2)[C@]2(CCNC2=O)C1	ZINC000096243919	436526887	/nfs/dbraw/zinc/52/68/87/436526887.db2.gz	GQINTFRMYWECBH-MRXNPFEDSA-N	1	0	341.477	0.403	40	0		ECABRO
Cn1cccc1C(=O)N1CC[C@H]2OCCN(CC[NH+](C)C)[C@@H]2CC1	ZINC000096249266	436528996	/nfs/dbraw/zinc/52/89/96/436528996.db2.gz	WYJPTRDPSKQYFC-NVXWUHKLSA-N	1	0	334.464	0.892	40	0		ECABRO
COCC(=O)NCC[C@H]1Cn2nccc2C[N@@H+](C2CCOCC2)C1	ZINC000247855206	436797680	/nfs/dbraw/zinc/79/76/80/436797680.db2.gz	TWYNHVCHGKKBIP-CQSZACIVSA-N	1	0	336.436	0.647	40	0		ECABRO
C[NH2+]CC(=O)N1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)N(C)C2=O	ZINC000257281691	436862722	/nfs/dbraw/zinc/86/27/22/436862722.db2.gz	OQNDULDKHMOFEV-WBVHZDCISA-N	1	0	345.443	0.779	40	0		ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@H](S(C)(=O)=O)[C@H]1c1ccc(OC)cc1	ZINC000252516005	436836038	/nfs/dbraw/zinc/83/60/38/436836038.db2.gz	PFDNRDUVVJRKFR-UMVBOHGHSA-N	1	0	327.402	0.714	40	0		ECABRO
Cc1nccn1CC(=O)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257274178	302714426	/nfs/dbraw/zinc/71/44/26/302714426.db2.gz	NJWNLBAZINRSLJ-HNNXBMFYSA-N	1	0	342.390	0.886	40	0		ECABRO
COCC(=O)N[C@@H]1C[N@H+](CCCOc2ccccc2F)C[C@H]1O	ZINC000257336189	436875541	/nfs/dbraw/zinc/87/55/41/436875541.db2.gz	YNMPNTOXWVSBOV-ZIAGYGMSSA-N	1	0	326.368	0.402	40	0		ECABRO
O=C(NC1CC1)c1cn2c(nc1=O)C[C@@]1(CC[N@H+](CC3CC3)C1)C2	ZINC000306136230	437167181	/nfs/dbraw/zinc/16/71/81/437167181.db2.gz	PNORQLZRQANONY-GOSISDBHSA-N	1	0	328.416	0.794	40	0		ECABRO
CC(C)NC(=O)c1nnc2n1C[C@H]1C[N@@H+](Cc3cnn(C)c3)C[C@@H]1C2	ZINC000306136088	437167423	/nfs/dbraw/zinc/16/74/23/437167423.db2.gz	PISBSNXNUBZQMM-UONOGXRCSA-N	1	0	343.435	0.454	40	0		ECABRO
Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3ccco3)C[C@H]12	ZINC000306137029	437168401	/nfs/dbraw/zinc/16/84/01/437168401.db2.gz	QJISADKUDASDEF-XNRPHZJLSA-N	1	0	330.388	0.890	40	0		ECABRO
CN(C)[C@@H](C(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccccc1	ZINC000178878942	437236499	/nfs/dbraw/zinc/23/64/99/437236499.db2.gz	APNMIEUKSWZUIQ-HUUCEWRRSA-N	1	0	339.461	0.830	40	0		ECABRO
CNC(=O)CC[C@@]1(O)CCCN(C(=O)C2(C)CC[NH+](C)CC2)C1	ZINC000585276677	439637416	/nfs/dbraw/zinc/63/74/16/439637416.db2.gz	CIDFUHADRBENEF-KRWDZBQOSA-N	1	0	325.453	0.598	40	0		ECABRO
O[C@@H]1COC[C@@H](N2CCN(Cc3ccc4ncccc4c3)CC2)[C@@H]1O	ZINC000585291613	439641569	/nfs/dbraw/zinc/64/15/69/439641569.db2.gz	QRQCCUNETMCGPG-QRVBRYPASA-N	1	0	343.427	0.473	40	0		ECABRO
CN(C)C(=O)CO[C@H]1CSC2(CN(C(=O)CC[NH+](C)C)C2)C1	ZINC000585093556	439627233	/nfs/dbraw/zinc/62/72/33/439627233.db2.gz	CNGSLWDESDNXTD-GFCCVEGCSA-N	1	0	329.466	0.129	40	0		ECABRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)CNC(=O)c2ccccc2)CC1	ZINC000257204370	535974847	/nfs/dbraw/zinc/97/48/47/535974847.db2.gz	AUGGWPDLMJZHQN-SFHVURJKSA-N	1	0	333.432	0.722	40	0		ECABRO
Cc1ccc(CN(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000224524877	564043056	/nfs/dbraw/zinc/04/30/56/564043056.db2.gz	MORJOMCZHOTUPX-UHFFFAOYSA-N	1	0	327.450	0.434	40	0		ECABRO
CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000004373358	210182254	/nfs/dbraw/zinc/18/22/54/210182254.db2.gz	FDMVHHVYOGARCF-DUVNUKRYSA-N	1	0	349.431	0.854	40	0		ECABRO
CN1[C@@H]2CC[NH2+][C@@H]2C(=O)NC[C@@H]1CCC(=O)NCc1ccc(F)cc1	ZINC000035442402	213028554	/nfs/dbraw/zinc/02/85/54/213028554.db2.gz	JFMNZOUSCBGMOJ-UXLLHSPISA-N	1	0	348.422	0.383	40	0	biogenic,in-vitro	ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)Cc3cccc(F)c3)C2)CC1	ZINC000257206243	244133275	/nfs/dbraw/zinc/13/32/75/244133275.db2.gz	BCOHPXHYKWMWBN-GOSISDBHSA-N	1	0	335.423	0.579	40	0		ECABRO
Nc1cc(CC[C@@H]2CN(S(=O)(=O)c3cn[nH]c3)CCO2)cc[nH+]1	ZINC000257229550	244207757	/nfs/dbraw/zinc/20/77/57/244207757.db2.gz	FYMPOVNCAUUXLO-GFCCVEGCSA-N	1	0	337.405	0.409	40	0		ECABRO
O=C(CC[NH+]1CCCCCC1)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257243499	244251297	/nfs/dbraw/zinc/25/12/97/244251297.db2.gz	IHHPKOUPIHAJIW-GOSISDBHSA-N	1	0	339.480	0.548	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2cnc(C)nc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257258999	244291732	/nfs/dbraw/zinc/29/17/32/244291732.db2.gz	KWJZTULPSUBSDT-INIZCTEOSA-N	1	0	347.463	0.444	40	0		ECABRO
NC(=O)CCC(=O)N1CCC[C@](O)(C[NH+]2CCC(F)(F)CC2)CC1	ZINC000257276931	244395189	/nfs/dbraw/zinc/39/51/89/244395189.db2.gz	NVSXCRWGMKKUQJ-OAHLLOKOSA-N	1	0	347.406	0.727	40	0		ECABRO
CNC(=O)CCc1cccc(C2CC[NH+]([C@H]3COC[C@@H]3O)CC2)n1	ZINC000257288586	244430018	/nfs/dbraw/zinc/43/00/18/244430018.db2.gz	PUVURPXBODRXHM-IRXDYDNUSA-N	1	0	333.432	0.699	40	0		ECABRO
CN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCC[NH2+]C4)ncc3C2)CC1=O	ZINC000019587347	212047957	/nfs/dbraw/zinc/04/79/57/212047957.db2.gz	FPBGWTZXIZVNLO-STQMWFEESA-N	1	0	343.431	0.307	40	0		ECABRO
O=C(c1cc2c([nH]c1=O)CCCC2)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257218764	284622017	/nfs/dbraw/zinc/62/20/17/284622017.db2.gz	DEIPUXQZCKIYAK-HZPDHXFCSA-N	1	0	331.416	0.947	40	0		ECABRO
COCCc1ccc(OC[C@@H](O)COC[C@@H](O)C[NH2+]C(C)C)cc1	ZINC000065742920	258012177	/nfs/dbraw/zinc/01/21/77/258012177.db2.gz	SETHZMZYJZUIRG-IRXDYDNUSA-N	1	0	341.448	0.991	40	0	in-vitro	ECABRO
CN(c1ccccc1C(=O)NC1CC[NH+](C)CC1)S(C)(=O)=O	ZINC000047615622	277003034	/nfs/dbraw/zinc/00/30/34/277003034.db2.gz	BPFBSSQOUCYLPB-UHFFFAOYSA-N	1	0	325.434	0.906	40	0		ECABRO
CNC(=O)[C@H]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2N1S(C)(=O)=O	ZINC000107197258	277253639	/nfs/dbraw/zinc/25/36/39/277253639.db2.gz	RUFKCYIKSGTDLH-KFWWJZLASA-N	1	0	337.445	0.267	40	0		ECABRO
CCOC(=O)[C@H]1CCC[N@H+](C[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)C1	ZINC000034781522	436255516	/nfs/dbraw/zinc/25/55/16/436255516.db2.gz	OUCUGSVEWPYBKR-GGAZOKNXSA-N	1	0	329.393	0.499	40	0		ECABRO
C[NH+](C)CCN1CC[C@H]2C[C@@H](C(=O)NCCc3ccccn3)O[C@@H]2C1	ZINC000096043100	436504291	/nfs/dbraw/zinc/50/42/91/436504291.db2.gz	TXMHOGBIRGLBLL-RYQLBKOJSA-N	1	0	346.475	0.781	40	0		ECABRO
COCCNC(=O)[C@H]1C[N@H+](Cc2cccc(C)n2)C[C@H]2OCC[C@H]21	ZINC000096041134	436504479	/nfs/dbraw/zinc/50/44/79/436504479.db2.gz	VRSIQHPHQDGPQL-YESZJQIVSA-N	1	0	333.432	0.990	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cn1	ZINC000096049237	436506965	/nfs/dbraw/zinc/50/69/65/436506965.db2.gz	IOARZHNZEXSDGR-UHFFFAOYSA-N	1	0	342.403	0.608	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCOC2)C1	ZINC000096066825	436508253	/nfs/dbraw/zinc/50/82/53/436508253.db2.gz	HQCZBGBQIVJGAH-GJZGRUSLSA-N	1	0	336.436	0.456	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@H](C(=O)N4CCCO4)[C@@H]3C2)cn1	ZINC000096058300	436508375	/nfs/dbraw/zinc/50/83/75/436508375.db2.gz	KFIOQHFHPGAJCB-OWCLPIDISA-N	1	0	334.420	0.811	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]CC2CCOCC2)C3)cn1	ZINC000096061024	436508434	/nfs/dbraw/zinc/50/84/34/436508434.db2.gz	RHXMBPXSSLVIKU-AWEZNQCLSA-N	1	0	332.408	0.594	40	0		ECABRO
C[NH+]1CCC(COC[C@H]2CC[C@H]3[C@H](CCN3S(C)(=O)=O)O2)CC1	ZINC000096064792	436509206	/nfs/dbraw/zinc/50/92/06/436509206.db2.gz	UNLDDURARPISIL-PMPSAXMXSA-N	1	0	346.493	0.926	40	0		ECABRO
CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3cc(C)nn3C)C2)C1	ZINC000096076386	436510570	/nfs/dbraw/zinc/51/05/70/436510570.db2.gz	MQNQTNBAPBTGDI-SFHVURJKSA-N	1	0	349.479	0.389	40	0		ECABRO
C(c1nnn2c1C[N@H+](CC1CCOCC1)CCC2)N1CCOCC1	ZINC000096084744	436512436	/nfs/dbraw/zinc/51/24/36/436512436.db2.gz	JUWOZERBSCPAKO-UHFFFAOYSA-N	1	0	335.452	0.743	40	0		ECABRO
COCC(=O)N[C@H]1COCCC12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096215820	436525043	/nfs/dbraw/zinc/52/50/43/436525043.db2.gz	SPHCPXNTUBLBMU-HNNXBMFYSA-N	1	0	336.436	0.554	40	0		ECABRO
CNC(=O)CN1CCOC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1	ZINC000096228843	436526667	/nfs/dbraw/zinc/52/66/67/436526667.db2.gz	RTVGNLMPRODAMJ-GOSISDBHSA-N	1	0	332.448	0.742	40	0		ECABRO
COCC[N@@H+]1CCOC[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1	ZINC000096228775	436526835	/nfs/dbraw/zinc/52/68/35/436526835.db2.gz	FNSZMJHDGAXWSA-RDJZCZTQSA-N	1	0	326.437	0.753	40	0		ECABRO
CN(C)S(=O)(=O)c1cccc(C(=O)NC2CC[NH+](C)CC2)c1	ZINC000225425625	436710536	/nfs/dbraw/zinc/71/05/36/436710536.db2.gz	BEALYHFEYJKUQA-UHFFFAOYSA-N	1	0	325.434	0.761	40	0		ECABRO
Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@H+](Cc3cccnc3)C[C@H]12	ZINC000248013205	436799488	/nfs/dbraw/zinc/79/94/88/436799488.db2.gz	FJUATAHTTVMDCV-BFYDXBDKSA-N	1	0	341.415	0.692	40	0		ECABRO
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CO[C@@H]3CNS(C)(=O)=O)C2)o1	ZINC000248087879	436801097	/nfs/dbraw/zinc/80/10/97/436801097.db2.gz	KRPMCPMZCJTUDM-BPLDGKMQSA-N	1	0	328.434	0.974	40	0		ECABRO
COCC(=O)N1CCN2[C@@H](C1)C[N@H+](Cc1ccccc1)C[C@@]2(C)CO	ZINC000253402816	436841650	/nfs/dbraw/zinc/84/16/50/436841650.db2.gz	OVHCGBMVARIOHO-MJGOQNOKSA-N	1	0	347.459	0.412	40	0	biogenic,in-vitro	ECABRO
CNC(=O)[C@H]1CN(C(=O)CCc2nnc(C(C)C)o2)CC[N@H+](C)C1	ZINC000257282494	436862151	/nfs/dbraw/zinc/86/21/51/436862151.db2.gz	OTYMPKCNENZFLL-GFCCVEGCSA-N	1	0	337.424	0.262	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cn3cc(C)ccc3n2)CC[N@H+](C)C1	ZINC000257297819	436865455	/nfs/dbraw/zinc/86/54/55/436865455.db2.gz	RIXKUMSKPISNLN-CYBMUJFWSA-N	1	0	329.404	0.393	40	0		ECABRO
CN(C)c1cc(C[C@@H]2C[NH2+]CCN(C(=O)c3cccnc3)C2)ncn1	ZINC000257312764	436867516	/nfs/dbraw/zinc/86/75/16/436867516.db2.gz	UPKWGBXRRSMCLH-CQSZACIVSA-N	1	0	340.431	0.842	40	0		ECABRO
CO[C@@H]1CCC[C@@H](N(C)C(=O)CN2CC[NH+](C(C)C)CC2)[C@H]1O	ZINC000257323066	436870998	/nfs/dbraw/zinc/87/09/98/436870998.db2.gz	WIPHOBZCHTYXJZ-BFYDXBDKSA-N	1	0	327.469	0.399	40	0		ECABRO
CCCn1cc(Cl)c(C(=O)N2CC[N@H+](C)C[C@@H](C(=O)NC)C2)n1	ZINC000257340367	436875504	/nfs/dbraw/zinc/87/55/04/436875504.db2.gz	ZFSCLFOQRAMWCW-LLVKDONJSA-N	1	0	341.843	0.696	40	0		ECABRO
O=C(NC[C@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12)c1cnccn1	ZINC000306141098	437168659	/nfs/dbraw/zinc/16/86/59/437168659.db2.gz	VLFOZTDVYGBNMS-ZMSDIMECSA-N	1	0	346.431	0.580	40	0		ECABRO
COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](C3CCCCC3)C2)C1	ZINC000604381651	439312645	/nfs/dbraw/zinc/31/26/45/439312645.db2.gz	JHEYCBHZYGQHJV-MRXNPFEDSA-N	1	0	337.464	0.563	40	0	biogenic,in-vitro	ECABRO
Cc1nccc(C[C@H]2[C@H]([NH2+]CC3CCOCC3)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382089	439311542	/nfs/dbraw/zinc/31/15/42/439311542.db2.gz	CXWFXHCJDYPXEK-BRSBDYLESA-N	1	0	335.448	0.702	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)C[C@H]1CCn2nccc2CN1S(=O)(=O)c1cccnc1	ZINC000585097286	439629939	/nfs/dbraw/zinc/62/99/39/439629939.db2.gz	JQMWOHQUWIFXNS-CQSZACIVSA-N	1	0	335.433	0.803	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cnn3c2nc(C)cc3C)CC[N@H+](C)C1	ZINC000585182333	439636106	/nfs/dbraw/zinc/63/61/06/439636106.db2.gz	NWZPVAPXOQPWTO-HNNXBMFYSA-N	1	0	330.436	0.456	40	0		ECABRO
COC[C@@]1(CC(N)=O)CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1	ZINC000585276714	439637685	/nfs/dbraw/zinc/63/76/85/439637685.db2.gz	DAZZJVBNSNYJKM-GOSISDBHSA-N	1	0	349.431	0.481	40	0		ECABRO
COCC[NH2+]C[C@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@H]1O	ZINC000585285847	439639814	/nfs/dbraw/zinc/63/98/14/439639814.db2.gz	NDZJBMSIXAHBQI-ZBFHGGJFSA-N	1	0	342.823	0.514	40	0		ECABRO
C[N@@H+]1C[C@@H](COCc2ccncc2)CC12CN(C(=O)C1CC(O)C1)C2	ZINC000585093734	439627629	/nfs/dbraw/zinc/62/76/29/439627629.db2.gz	BBWNFZDJZSRLJS-GTPINHCMSA-N	1	0	345.443	0.902	40	0		ECABRO
COc1cc(N2CC3(C2)C[C@H](COCC(=O)N(C)C)C[N@@H+]3C)ncn1	ZINC000585093813	439628027	/nfs/dbraw/zinc/62/80/27/439628027.db2.gz	GZUZERDQILQNLQ-ZDUSSCGKSA-N	1	0	349.435	0.101	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCO[C@@H](c3nc(C)cc(C)n3)C2)CC1	ZINC000257210728	535651867	/nfs/dbraw/zinc/65/18/67/535651867.db2.gz	BVWVADCOIFUYER-MRXNPFEDSA-N	1	0	347.463	0.631	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1cccnc1)C2	ZINC000096060681	282108642	/nfs/dbraw/zinc/10/86/42/282108642.db2.gz	ADBZNVALSBNNTK-AWEZNQCLSA-N	1	0	344.419	0.528	40	0		ECABRO
CCN1CCN(C2=[NH+][C@@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1	ZINC000054121087	214216528	/nfs/dbraw/zinc/21/65/28/214216528.db2.gz	FQBNKBBVURYZHV-CABCVRRESA-N	1	0	344.415	0.640	40	0		ECABRO
Cc1nc[nH]c1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(=O)N(C)C)C1	ZINC000257320121	282139973	/nfs/dbraw/zinc/13/99/73/282139973.db2.gz	VVLNYQKZVUCXRE-HNNXBMFYSA-N	1	0	349.479	0.719	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC[C@@H](c2cc(C(=O)N3CCOCC3)n[nH]2)C1	ZINC000072380489	216182427	/nfs/dbraw/zinc/18/24/27/216182427.db2.gz	TYRVCROLBOLQLD-CYBMUJFWSA-N	1	0	349.435	0.150	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)N2CCCCC2)C1	ZINC000020511767	212141772	/nfs/dbraw/zinc/14/17/72/212141772.db2.gz	UKUGTHSANDDSEY-AWEZNQCLSA-N	1	0	346.497	0.107	40	0		ECABRO
CCS(=O)(=O)NCC[C@H]1CCOC12C[NH+](CC1CCOCC1)C2	ZINC000253492453	244004934	/nfs/dbraw/zinc/00/49/34/244004934.db2.gz	PWPKGKQDUBUECM-HNNXBMFYSA-N	1	0	346.493	0.833	40	0		ECABRO
CC1CCN(C(=O)CN2CCc3nnc([C@H]4CCC[NH2+]4)n3CC2)CC1	ZINC000019706305	212055484	/nfs/dbraw/zinc/05/54/84/212055484.db2.gz	IZIYXFATRPBOKW-OAHLLOKOSA-N	1	0	346.479	0.819	40	0		ECABRO
CN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCC[NH2+]C4)ncc3C2)CC1=O	ZINC000019587343	212048819	/nfs/dbraw/zinc/04/88/19/212048819.db2.gz	FPBGWTZXIZVNLO-OLZOCXBDSA-N	1	0	343.431	0.307	40	0		ECABRO
O=c1[nH]c2cc3c(cc2cc1C[NH2+]C[C@@H]1COCCO1)OCCO3	ZINC000019292525	212012788	/nfs/dbraw/zinc/01/27/88/212012788.db2.gz	DWMGRRKCELBBRJ-CYBMUJFWSA-N	1	0	332.356	0.804	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCn2cnc3ccccc32)C[C@H](C(N)=O)C1	ZINC000257319804	290011424	/nfs/dbraw/zinc/01/14/24/290011424.db2.gz	VUCDPHLTWXFMPP-CYBMUJFWSA-N	1	0	329.404	0.302	40	0		ECABRO
C[NH+]1CCN(C[C@H]2OC[C@@H]3CCN(S(=O)(=O)C4CC4)C[C@@H]32)CC1	ZINC000096056268	290046878	/nfs/dbraw/zinc/04/68/78/290046878.db2.gz	FAWFQKXOHGKMJO-CWRNSKLLSA-N	1	0	343.493	0.063	40	0		ECABRO
C[NH+]1CCN([C@@H]2CCN(S(C)(=O)=O)[C@H]2Cc2ccncc2)CC1	ZINC000096201032	290055269	/nfs/dbraw/zinc/05/52/69/290055269.db2.gz	MMMOXCBOUFAYGE-CVEARBPZSA-N	1	0	338.477	0.274	40	0		ECABRO
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(N)=O	ZINC000007991640	436018756	/nfs/dbraw/zinc/01/87/56/436018756.db2.gz	FDMVHHVYOGARCF-BJJXKVORSA-N	1	0	349.431	0.854	40	0		ECABRO
Cn1cc(C[C@H]2[C@H](N3CCN(C)CC3)CC[N@@H+]2C2CCOCC2)cn1	ZINC000096200969	436522339	/nfs/dbraw/zinc/52/23/39/436522339.db2.gz	ZQCBHHVIHABOGO-MOPGFXCFSA-N	1	0	347.507	0.832	40	0		ECABRO
O=C([C@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@@H]2O1)N1CCOCC1	ZINC000096043204	436504847	/nfs/dbraw/zinc/50/48/47/436504847.db2.gz	QPCNKMQVLJIWDK-BBWFWOEESA-N	1	0	338.448	0.751	40	0		ECABRO
CN(C)C(=O)CN1CCC2(CC[NH+](Cc3cccnc3)CC2)C1=O	ZINC000096046852	436507225	/nfs/dbraw/zinc/50/72/25/436507225.db2.gz	ZOGQINOCDOTWFK-UHFFFAOYSA-N	1	0	330.432	0.984	40	0		ECABRO
CN1CC[NH+]([C@@H]2COC3(C2)CCN(C(=O)c2ccnnc2)CC3)CC1	ZINC000096048861	436507384	/nfs/dbraw/zinc/50/73/84/436507384.db2.gz	ZTLRBOBYEOZALQ-INIZCTEOSA-N	1	0	345.447	0.488	40	0		ECABRO
CN1CCN(C(=O)C[C@H]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3O2)CC1	ZINC000096207259	436522846	/nfs/dbraw/zinc/52/28/46/436522846.db2.gz	ABNZSEFCBPBTAX-RCCFBDPRSA-N	1	0	344.459	0.835	40	0		ECABRO
Cn1cccc1C(=O)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC1)C2	ZINC000096076646	436509860	/nfs/dbraw/zinc/50/98/60/436509860.db2.gz	VWRFASXCWBMMOK-SFHVURJKSA-N	1	0	333.432	0.979	40	0		ECABRO
Cc1ccc(N2CCC[C@@]3(CN(C(=O)C[NH+](C)C)CCO3)C2)nn1	ZINC000096074852	436510257	/nfs/dbraw/zinc/51/02/57/436510257.db2.gz	DOQIGFZMIFLOIQ-KRWDZBQOSA-N	1	0	333.436	0.544	40	0		ECABRO
COc1cc(N2CCC[C@]3(CCN(CC[NH+](C)C)C3=O)C2)ncn1	ZINC000096073944	436510264	/nfs/dbraw/zinc/51/02/64/436510264.db2.gz	QSPCUVUFNMYZNS-KRWDZBQOSA-N	1	0	333.436	0.866	40	0		ECABRO
COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3nccn3C)C2)C1	ZINC000096076298	436510758	/nfs/dbraw/zinc/51/07/58/436510758.db2.gz	KMWXUUWUNNSTOG-QGZVFWFLSA-N	1	0	336.436	0.621	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2ccnnc2)C3)CC1	ZINC000096087567	436511943	/nfs/dbraw/zinc/51/19/43/436511943.db2.gz	FMOWKUZPUDGAAB-UHFFFAOYSA-N	1	0	341.419	0.077	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[C@]2(C[C@@H](OCC[NH+]3CCCC3)CO2)C1	ZINC000096107734	436511974	/nfs/dbraw/zinc/51/19/74/436511974.db2.gz	BSFSBFXKZLUGKX-ZBFHGGJFSA-N	1	0	344.477	0.824	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(C[C@@H](NS(C)(=O)=O)CO3)CC2)cn1	ZINC000096224813	436525163	/nfs/dbraw/zinc/52/51/63/436525163.db2.gz	OPEHPZXZNIPLBF-CYBMUJFWSA-N	1	0	328.438	0.093	40	0		ECABRO
CCOCC(=O)N1CCC[C@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1	ZINC000096228424	436525891	/nfs/dbraw/zinc/52/58/91/436525891.db2.gz	IMBHBEWGFBLDQF-WBVHZDCISA-N	1	0	326.437	0.753	40	0		ECABRO
Cc1cccc(CN2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)n1	ZINC000096253814	436528564	/nfs/dbraw/zinc/52/85/64/436528564.db2.gz	VFCGOONFAZHXQU-IXDOHACOSA-N	1	0	332.448	0.657	40	0		ECABRO
C[NH+](C)CCN1CCO[C@@H]2CCN(C(=O)c3ccncc3)CC[C@H]21	ZINC000248066357	436799182	/nfs/dbraw/zinc/79/91/82/436799182.db2.gz	ZSOCNNLVGHORTI-IAGOWNOFSA-N	1	0	332.448	0.949	40	0		ECABRO
O=C(CCn1ccnc1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000257222684	436858616	/nfs/dbraw/zinc/85/86/16/436858616.db2.gz	DUIOGHPNTQXQJI-QZTJIDSGSA-N	1	0	340.427	0.903	40	0		ECABRO
Cc1ncc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)cn1	ZINC000257228849	436859570	/nfs/dbraw/zinc/85/95/70/436859570.db2.gz	FVNUMTYDOKVPOI-OAHLLOKOSA-N	1	0	333.436	0.183	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2ccncc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257280732	436861229	/nfs/dbraw/zinc/86/12/29/436861229.db2.gz	OMCRVONXAMUHHT-MRXNPFEDSA-N	1	0	332.448	0.740	40	0		ECABRO
C[N@@H+]1CCC[C@](C)(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1	ZINC000257294991	436864680	/nfs/dbraw/zinc/86/46/80/436864680.db2.gz	QWNOYVYCQPISOW-DLBZAZTESA-N	1	0	325.453	0.014	40	0		ECABRO
CC(=O)N(C)[C@H]1CC2(CC[NH+](Cc3cc[nH]n3)CC2)OC[C@]1(C)O	ZINC000257306929	436867388	/nfs/dbraw/zinc/86/73/88/436867388.db2.gz	SWPIWCKQIVCFRF-HOTGVXAUSA-N	1	0	336.436	0.763	40	0		ECABRO
CNC(=O)c1cccc([C@@H]2CNCCN2C(=O)C2CC[NH2+]CC2)c1	ZINC000257309394	436868138	/nfs/dbraw/zinc/86/81/38/436868138.db2.gz	UAUDPMJOSDVMET-INIZCTEOSA-N	1	0	330.432	0.519	40	0		ECABRO
CC(C)S(=O)(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257312495	436868630	/nfs/dbraw/zinc/86/86/30/436868630.db2.gz	UOEXXOJBTHAUGE-GFCCVEGCSA-N	1	0	326.409	0.893	40	0		ECABRO
CCCn1ccnc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257306462	436869046	/nfs/dbraw/zinc/86/90/46/436869046.db2.gz	SUIUYJQRQNACLX-HNNXBMFYSA-N	1	0	349.479	0.691	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2ccccc2-n2cnc(C[NH3+])c2)CC1	ZINC000257313245	436870477	/nfs/dbraw/zinc/87/04/77/436870477.db2.gz	URNWDTLUZRGKIK-UHFFFAOYSA-N	1	0	327.388	0.635	40	0		ECABRO
CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)CCC[NH3+]	ZINC000257328225	436873521	/nfs/dbraw/zinc/87/35/21/436873521.db2.gz	XESLMVAQTPJUMS-UHFFFAOYSA-N	1	0	345.447	0.863	40	0		ECABRO
Cn1cc(C[N@H+]2C[C@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@@H]3C2)cn1	ZINC000306127188	437164162	/nfs/dbraw/zinc/16/41/62/437164162.db2.gz	FRDNXLVOVZZFPV-OLZOCXBDSA-N	1	0	341.419	0.208	40	0		ECABRO
O=C(NC1CC1)c1cn2c(nc1=O)C[C@]1(CC[N@H+](CC3CC3)C1)C2	ZINC000306136231	437167154	/nfs/dbraw/zinc/16/71/54/437167154.db2.gz	PNORQLZRQANONY-SFHVURJKSA-N	1	0	328.416	0.794	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2cnccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000585182337	439635480	/nfs/dbraw/zinc/63/54/80/439635480.db2.gz	QSDCPEGMHHFWIF-HNNXBMFYSA-N	1	0	347.463	0.478	40	0		ECABRO
CS(=O)(=O)N1CCCC[C@H]2C[N@H+](CC3(O)CCOCC3)CC[C@H]21	ZINC000585262943	439635968	/nfs/dbraw/zinc/63/59/68/439635968.db2.gz	QQYVCFDEIFOVHZ-LSDHHAIUSA-N	1	0	346.493	0.664	40	0		ECABRO
Cc1ccccc1N1CCC(O)(C[N@@H+]2CCO[C@@](C)(C(N)=O)C2)CC1	ZINC000585283881	439640453	/nfs/dbraw/zinc/64/04/53/439640453.db2.gz	PLVPITQSNWVZOM-GOSISDBHSA-N	1	0	347.459	0.903	40	0		ECABRO
CCn1cc(C[N@@H+]2CC[C@@H](n3ccc(=O)[nH]c3=O)[C@](C)(O)C2)c(C)n1	ZINC000257208282	536056598	/nfs/dbraw/zinc/05/65/98/536056598.db2.gz	BLMJNLNPTWOWLX-RHSMWYFYSA-N	1	0	347.419	0.672	40	0		ECABRO
CC(=O)N1CCC(O)(C[NH+]2CC(c3nn(C)c4nccnc34)C2)CC1	ZINC000072367468	216174109	/nfs/dbraw/zinc/17/41/09/216174109.db2.gz	JPPVXZMJSULNPV-UHFFFAOYSA-N	1	0	344.419	0.136	40	0		ECABRO
Cc1ccc(CN(CC(=O)NCCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000223414664	241647645	/nfs/dbraw/zinc/64/76/45/241647645.db2.gz	LZGCUMYGZWAGSP-UHFFFAOYSA-N	1	0	341.477	0.825	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257224652	244196060	/nfs/dbraw/zinc/19/60/60/244196060.db2.gz	FCSVWCGCMQZJGH-QGZVFWFLSA-N	1	0	329.404	0.426	40	0		ECABRO
O=C(CN1CCCC1=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257252707	244273091	/nfs/dbraw/zinc/27/30/91/244273091.db2.gz	JVUFQZBUFDSSKW-OAHLLOKOSA-N	1	0	345.390	0.303	40	0		ECABRO
C[NH+](C)CCOc1cccc(C(=O)N2C[C@H](O)[C@]3(CCCO3)C2)c1	ZINC000257271537	244379370	/nfs/dbraw/zinc/37/93/70/244379370.db2.gz	MYSNWSVRNWNCKY-WMZOPIPTSA-N	1	0	334.416	0.993	40	0		ECABRO
Cc1cccc(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)n1	ZINC000257269411	244370132	/nfs/dbraw/zinc/37/01/32/244370132.db2.gz	MPVQCYALXZFQJW-OAHLLOKOSA-N	1	0	332.448	0.788	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](Cc2ccsc2)C[C@H]1O)c1cnccn1	ZINC000257273389	244387078	/nfs/dbraw/zinc/38/70/78/244387078.db2.gz	NGJBWHJZVPKZOR-GDBMZVCRSA-N	1	0	348.428	0.266	40	0		ECABRO
CCS(=O)(=O)N1CCc2nc([C@@H]3CCC[NH2+]3)nc(NC)c2C1	ZINC000019711535	212056748	/nfs/dbraw/zinc/05/67/48/212056748.db2.gz	SUSFVIAJNJFWCJ-LBPRGKRZSA-N	1	0	325.438	0.651	40	0		ECABRO
COCCc1ccc(OC[C@H](O)COC[C@@H](O)C[NH2+]C(C)C)cc1	ZINC000065742922	258012145	/nfs/dbraw/zinc/01/21/45/258012145.db2.gz	SETHZMZYJZUIRG-DLBZAZTESA-N	1	0	341.448	0.991	40	0	in-vitro	ECABRO
CC(C)[N@H+](C)C[C@H]1CO[C@]2(C1)COCCN(S(=O)(=O)C1CC1)C2	ZINC000096052003	279383956	/nfs/dbraw/zinc/38/39/56/279383956.db2.gz	VNQWLUJDJBFZHO-HOCLYGCPSA-N	1	0	346.493	0.926	40	0		ECABRO
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)C[C@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000001607691	295006549	/nfs/dbraw/zinc/00/65/49/295006549.db2.gz	RRJCLYMGCZJLBQ-WCQYABFASA-N	1	0	336.392	0.185	40	0		ECABRO
Nc1nc2c(c(N)n1)C[C@]1(CCCN(C(=O)C3CC[NH2+]CC3)CC1)O2	ZINC000257263093	295369763	/nfs/dbraw/zinc/36/97/63/295369763.db2.gz	LOIYLZOUJCOKIG-QGZVFWFLSA-N	1	0	346.435	0.327	40	0		ECABRO
[NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000002384979	435964991	/nfs/dbraw/zinc/96/49/91/435964991.db2.gz	RVKIPWVMZANZLI-ZFWWWQNUSA-N	1	0	332.404	0.736	40	0	endogenous,in-man	ECABRO
CCC(=O)N1CCC[C@H](N2C(=O)NC3(CC[NH+](CC)CC3)C2=O)C1	ZINC000019699887	436107635	/nfs/dbraw/zinc/10/76/35/436107635.db2.gz	ZWMUNFBHOQMASB-ZDUSSCGKSA-N	1	0	336.436	0.794	40	0		ECABRO
CN(C)C(=O)[C@@]12CCC3(CC[NH2+]CC3)[C@@H]1CN(S(C)(=O)=O)C2	ZINC000096143737	436515720	/nfs/dbraw/zinc/51/57/20/436515720.db2.gz	DONMXSXGWLIHHW-SWLSCSKDSA-N	1	0	329.466	0.116	40	0		ECABRO
CCCS(=O)(=O)N1CC[C@H]2[C@@H]1CCC(=O)N2CC[NH+]1CCCC1	ZINC000096186308	436519773	/nfs/dbraw/zinc/51/97/73/436519773.db2.gz	VLLLFEJGBPVNCR-GJZGRUSLSA-N	1	0	343.493	0.887	40	0		ECABRO
Cc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3CCN2CCOCC2)n1	ZINC000096183953	436519890	/nfs/dbraw/zinc/51/98/90/436519890.db2.gz	PABKZPOXBARQQL-ZWKOTPCHSA-N	1	0	344.459	0.897	40	0		ECABRO
CS(=O)(=O)NCc1cnc2n1CC[N@@H+](Cc1cccnc1)CC2	ZINC000096197022	436521794	/nfs/dbraw/zinc/52/17/94/436521794.db2.gz	JEJCBJCFGCGDNE-UHFFFAOYSA-N	1	0	335.433	0.386	40	0		ECABRO
C[NH+](C)CCN1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@@H]2C1	ZINC000096042865	436504444	/nfs/dbraw/zinc/50/44/44/436504444.db2.gz	TXMHOGBIRGLBLL-CGTJXYLNSA-N	1	0	346.475	0.781	40	0		ECABRO
O=C([C@@H]1C[C@@H]2CC[N@H+](CC3CCOCC3)C[C@@H]2O1)N1CCOCC1	ZINC000096041000	436504788	/nfs/dbraw/zinc/50/47/88/436504788.db2.gz	QPCNKMQVLJIWDK-ULQDDVLXSA-N	1	0	338.448	0.751	40	0		ECABRO
CN1CC[NH+]([C@H]2COC3(C2)CCN(C(=O)c2ccnnc2)CC3)CC1	ZINC000096048860	436507011	/nfs/dbraw/zinc/50/70/11/436507011.db2.gz	ZTLRBOBYEOZALQ-MRXNPFEDSA-N	1	0	345.447	0.488	40	0		ECABRO
O=S(=O)(C1CC1)N1CCOC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000096052041	436507070	/nfs/dbraw/zinc/50/70/70/436507070.db2.gz	ZWQPWHMZEXHXOV-HOCLYGCPSA-N	1	0	344.477	0.682	40	0		ECABRO
CNC(=O)CO[C@@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)nc1)C2	ZINC000096073547	436510086	/nfs/dbraw/zinc/51/00/86/436510086.db2.gz	XZXYQUJZTXLBPR-YJBOKZPZSA-N	1	0	349.431	0.976	40	0		ECABRO
Cc1ccc(N2CCC3(CC2)OCC(=O)N(CC[NH+](C)C)[C@@H]3C)nn1	ZINC000096201533	436523367	/nfs/dbraw/zinc/52/33/67/436523367.db2.gz	WHHKGRABWRKNCB-OAHLLOKOSA-N	1	0	347.463	0.933	40	0		ECABRO
CCS(=O)(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1c(C)noc1C)C2	ZINC000096208474	436523812	/nfs/dbraw/zinc/52/38/12/436523812.db2.gz	NYUHSKHOKZEDTI-HIFRSBDPSA-N	1	0	343.449	0.679	40	0		ECABRO
O=C(Nc1cnccn1)[C@H]1CO[C@@H]2C[N@H+](Cc3ccccn3)C[C@H]12	ZINC000096216052	436525190	/nfs/dbraw/zinc/52/51/90/436525190.db2.gz	FBXOJOGQMDFOGE-QLFBSQMISA-N	1	0	325.372	0.957	40	0		ECABRO
Cc1ccc(N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)nn1	ZINC000096230061	436525940	/nfs/dbraw/zinc/52/59/40/436525940.db2.gz	DJDZHHGFPYEKSL-UHFFFAOYSA-N	1	0	346.479	0.460	40	0		ECABRO
OCC[N@@H+]1CCOC[C@]2(C[C@H](CNc3ncccc3F)CO2)C1	ZINC000096240678	436525993	/nfs/dbraw/zinc/52/59/93/436525993.db2.gz	XZUUDMUKLDTOSQ-CJNGLKHVSA-N	1	0	325.384	0.732	40	0		ECABRO
CC[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)COC)CC[C@@H]12	ZINC000096263648	436528045	/nfs/dbraw/zinc/52/80/45/436528045.db2.gz	XXXGXSQYGOLHFR-CRAIPNDOSA-N	1	0	337.464	0.958	40	0		ECABRO
COCCNC(=O)C[C@@H]1C[N@H+](CC2CCOCC2)Cc2ccnn21	ZINC000247816841	436796948	/nfs/dbraw/zinc/79/69/48/436796948.db2.gz	BKYLGZZHWVPBTA-MRXNPFEDSA-N	1	0	336.436	0.819	40	0		ECABRO
COCC[N@@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccnnc1)CC2	ZINC000247909532	436798300	/nfs/dbraw/zinc/79/83/00/436798300.db2.gz	YCEGQSMFRHDWCZ-INIZCTEOSA-N	1	0	348.447	0.924	40	0		ECABRO
C[NH+](C)CCN1CCO[C@H]2CCN(C(=O)c3ccncc3)CC[C@H]21	ZINC000248066362	436798796	/nfs/dbraw/zinc/79/87/96/436798796.db2.gz	ZSOCNNLVGHORTI-SJORKVTESA-N	1	0	332.448	0.949	40	0		ECABRO
Cn1nccc1C(=O)NC[C@@H]1CO[C@@H]2C[N@@H+](C3CCOCC3)C[C@H]12	ZINC000248047498	436798950	/nfs/dbraw/zinc/79/89/50/436798950.db2.gz	QEXJTUJVALAGMO-XNRPHZJLSA-N	1	0	334.420	0.276	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OC[C@H](CNC(=O)c4ccncc4)[C@H]3C2)cn1	ZINC000248153467	436800699	/nfs/dbraw/zinc/80/06/99/436800699.db2.gz	UZPLODZGARHLHY-GVDBMIGSSA-N	1	0	341.415	0.692	40	0		ECABRO
CCn1cc(C[N@@H+]2CC[C@H](n3cc(C)c(=O)[nH]c3=O)[C@@](C)(O)C2)cn1	ZINC000257281941	436862738	/nfs/dbraw/zinc/86/27/38/436862738.db2.gz	ORQAJFHURWRNGG-YOEHRIQHSA-N	1	0	347.419	0.672	40	0		ECABRO
CNC(=O)[C@]1(C)CN(C(=O)CC[N@H+](C)Cc2cccnc2)CCO1	ZINC000257294702	436863514	/nfs/dbraw/zinc/86/35/14/436863514.db2.gz	QVHXMZIULKLXOB-KRWDZBQOSA-N	1	0	334.420	0.267	40	0		ECABRO
Cn1cnc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+]3CCCC3)[C@@H]2O)c1	ZINC000257295213	436864025	/nfs/dbraw/zinc/86/40/25/436864025.db2.gz	QXLUBANIQDVUPO-YRGRVCCFSA-N	1	0	328.438	0.076	40	0		ECABRO
Cc1cccc(C)c1C[N@@H+]1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	ZINC000257297888	436865241	/nfs/dbraw/zinc/86/52/41/436865241.db2.gz	RJFCPZKPBMQMRF-CQSZACIVSA-N	1	0	339.461	0.482	40	0		ECABRO
O=C(C[N@@H+]1CCOC[C@@H](Cc2cc(=O)[nH]cn2)C1)N1CCCCC1	ZINC000257307542	436867837	/nfs/dbraw/zinc/86/78/37/436867837.db2.gz	SZDQMBXOSCGXBR-AWEZNQCLSA-N	1	0	334.420	0.686	40	0		ECABRO
O=C(C[NH+]1CCCCCC1)N1CC[C@@](O)(CN2CCOCC2)C1	ZINC000257306196	436868647	/nfs/dbraw/zinc/86/86/47/436868647.db2.gz	STGIXIQFXHXQLW-QGZVFWFLSA-N	1	0	325.453	0.158	40	0		ECABRO
CC(=O)NC1CC[NH+](C[C@@]2(O)CCCN(C(=O)C(C)C)CC2)CC1	ZINC000257316979	436870881	/nfs/dbraw/zinc/87/08/81/436870881.db2.gz	VHUZNJSLJWXSJM-GOSISDBHSA-N	1	0	339.480	0.987	40	0		ECABRO
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)cc1C	ZINC000575420599	438748613	/nfs/dbraw/zinc/74/86/13/438748613.db2.gz	DHQPXZADQJGJCO-CYBMUJFWSA-N	1	0	346.474	0.358	40	0		ECABRO
CCCNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCCC3)[C@@H](O)[C@H]2O1	ZINC000604381810	439312743	/nfs/dbraw/zinc/31/27/43/439312743.db2.gz	PLEBRRBUQXDLJZ-SZVRAQGESA-N	1	0	326.437	0.721	40	0	biogenic,in-vitro	ECABRO
COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](CCC(C)(C)C)C2)C1	ZINC000604381994	439311644	/nfs/dbraw/zinc/31/16/44/439311644.db2.gz	YBKOGOAKNSEUQQ-OAHLLOKOSA-N	1	0	339.480	0.666	40	0	biogenic,in-vitro	ECABRO
COCC[NH2+]C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O	ZINC000585289090	439640937	/nfs/dbraw/zinc/64/09/37/439640937.db2.gz	DJTAADLEMVQAMP-HOCLYGCPSA-N	1	0	342.823	0.514	40	0		ECABRO
CN1C(=O)CO[C@H]2C[N@H+]([C@H]3CCC[C@@H](Oc4ccccc4)[C@@H]3O)C[C@@H]21	ZINC000585289251	439641176	/nfs/dbraw/zinc/64/11/76/439641176.db2.gz	OVGKYRRJKADXRW-YUAHOQAQSA-N	1	0	346.427	0.889	40	0		ECABRO
COc1cc(N2CC3(C2)C[C@@H](COCC(=O)N(C)C)C[N@@H+]3C)ncn1	ZINC000585093812	439627797	/nfs/dbraw/zinc/62/77/97/439627797.db2.gz	GZUZERDQILQNLQ-CYBMUJFWSA-N	1	0	349.435	0.101	40	0		ECABRO
CC(=O)N1CCC[C@@H]1C(=O)NCc1nccnc1C1CC[NH+](C)CC1	ZINC000257266413	534769725	/nfs/dbraw/zinc/76/97/25/534769725.db2.gz	MCXMCEXRRUSNGV-MRXNPFEDSA-N	1	0	345.447	0.913	40	0		ECABRO
Cc1nc(Nc2cnccn2)cc([C@H]2CC[N@@H+](C(CO)CO)C2)n1	ZINC000072363669	216169813	/nfs/dbraw/zinc/16/98/13/216169813.db2.gz	KYXSHIKTYGNNNM-LBPRGKRZSA-N	1	0	330.392	0.461	40	0		ECABRO
C[C@@]12C[C@H](C[NH3+])N(C(=O)CCCn3cncn3)[C@@H]1CCCC[C@H]2O	ZINC000257204525	244131023	/nfs/dbraw/zinc/13/10/23/244131023.db2.gz	AVAHOMYXLPRTBM-KCYZZUKISA-N	1	0	335.452	0.928	40	0		ECABRO
O=C(CCn1nnc2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257245853	244254639	/nfs/dbraw/zinc/25/46/39/244254639.db2.gz	IRIFPRHWLJQANS-HZPDHXFCSA-N	1	0	329.404	0.489	40	0		ECABRO
O=C(c1n[nH]c(=O)c2ccccc21)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257235189	244226593	/nfs/dbraw/zinc/22/65/93/244226593.db2.gz	GWVGZAQWFSPCLN-ZIAGYGMSSA-N	1	0	328.372	0.204	40	0		ECABRO
C[NH2+]CC(=O)N1CCC[C@H](c2nc(C)cc(CCC(=O)N(C)C)n2)C1	ZINC000257241851	244245629	/nfs/dbraw/zinc/24/56/29/244245629.db2.gz	HZXDCCNIFCCNTR-AWEZNQCLSA-N	1	0	347.463	0.731	40	0		ECABRO
NC(=O)c1ccnc2c1ccn2[C@@H]1CN(C(=O)CCCC[NH3+])C[C@H]1O	ZINC000257280983	244406515	/nfs/dbraw/zinc/40/65/15/244406515.db2.gz	ONERCQLZGHDOTI-ZIAGYGMSSA-N	1	0	345.403	0.008	40	0		ECABRO
COCCC(=O)N1CCC(c2nc3c(c(=O)[nH]2)CC[N@H+](C)C3)CC1	ZINC000019590734	212048285	/nfs/dbraw/zinc/04/82/85/212048285.db2.gz	DEVLRBSBRFRFHW-UHFFFAOYSA-N	1	0	334.420	0.913	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1	ZINC000122839660	222170368	/nfs/dbraw/zinc/17/03/68/222170368.db2.gz	MMRFCYWZDKJKNM-CQSZACIVSA-N	1	0	339.461	0.765	40	0		ECABRO
CC(C)(C(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O)n1cncn1	ZINC000257296506	278275174	/nfs/dbraw/zinc/27/51/74/278275174.db2.gz	RDDUGQPLOSJPDF-RBSFLKMASA-N	1	0	335.452	0.897	40	0		ECABRO
C[NH+](C)CCN1C(=O)CC[C@@]12CCCN(S(=O)(=O)C1CC1)CC2	ZINC000096217728	289151874	/nfs/dbraw/zinc/15/18/74/289151874.db2.gz	GQLOWEGGEUZPLO-MRXNPFEDSA-N	1	0	343.493	0.887	40	0		ECABRO
COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cn2cccnc2=O)cc1	ZINC000257277528	295225626	/nfs/dbraw/zinc/22/56/26/295225626.db2.gz	NYHKDZSSADAOLL-HNNXBMFYSA-N	1	0	328.372	0.425	40	0		ECABRO
COCC(=O)N[C@H](C)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C	ZINC000019079636	436104484	/nfs/dbraw/zinc/10/44/84/436104484.db2.gz	GTLLJYZPOCKMOI-UKRRQHHQSA-N	1	0	349.431	0.489	40	0		ECABRO
NC(=O)[C@@H]1CCC[N@H+](CCN2CCN3CCc4cccc(c43)C2=O)C1	ZINC000019346802	436108403	/nfs/dbraw/zinc/10/84/03/436108403.db2.gz	BYVJTIBECGJXLT-OAHLLOKOSA-N	1	0	342.443	0.702	40	0		ECABRO
CN(C)CC[N@@H+]1CC[C@@H]2O[C@@H](COCC(=O)N3CCCC3)CC[C@@H]21	ZINC000096186722	436518590	/nfs/dbraw/zinc/51/85/90/436518590.db2.gz	LQLUZQTVUJXJPA-IKGGRYGDSA-N	1	0	339.480	0.809	40	0		ECABRO
CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc2c(c1)OCO2	ZINC000096183903	436518739	/nfs/dbraw/zinc/51/87/39/436518739.db2.gz	MPQCLYIWYINUHR-UONOGXRCSA-N	1	0	345.399	0.679	40	0		ECABRO
COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@@H](N3CCOCC3)[C@@H]2C1	ZINC000096186826	436520093	/nfs/dbraw/zinc/52/00/93/436520093.db2.gz	MPHYLBPVKPCOFA-BRWVUGGUSA-N	1	0	333.432	0.869	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CCN(C(=O)[C@H]1CCOC1)CC2	ZINC000096196659	436521308	/nfs/dbraw/zinc/52/13/08/436521308.db2.gz	QZSAZJHBQXJMCU-HNNXBMFYSA-N	1	0	333.432	0.374	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@@]2(C[C@H](C[N@H+](C)C(C)C)CO2)C1	ZINC000096052002	436507092	/nfs/dbraw/zinc/50/70/92/436507092.db2.gz	SIZHIPXARBTAOB-HUUCEWRRSA-N	1	0	334.482	0.784	40	0		ECABRO
Cc1noc(C)c1C[NH2+]C[C@@H]1Cn2nnc(-c3ccnn3C)c2CO1	ZINC000096069330	436510284	/nfs/dbraw/zinc/51/02/84/436510284.db2.gz	DKYAVMPGYKNFDF-GFCCVEGCSA-N	1	0	343.391	0.972	40	0		ECABRO
CS(=O)(=O)N[C@@H]1CCO[C@]2(CC[N@H+](CC3CCOCC3)C2)C1	ZINC000096107909	436512308	/nfs/dbraw/zinc/51/23/08/436512308.db2.gz	VTKHFWUULBSARH-HUUCEWRRSA-N	1	0	332.466	0.586	40	0		ECABRO
CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+]([C@H]3CCOC3)CC2)O1	ZINC000096243669	436526647	/nfs/dbraw/zinc/52/66/47/436526647.db2.gz	QICGVQNMWBMJQI-GJZGRUSLSA-N	1	0	348.447	0.887	40	0		ECABRO
CN1CCN(c2ncnc3c2CC[N@@H+](C2CCOCC2)CC3)CC1	ZINC000096255700	436528791	/nfs/dbraw/zinc/52/87/91/436528791.db2.gz	ONHHUXRMXPAJRM-UHFFFAOYSA-N	1	0	331.464	0.808	40	0		ECABRO
CNC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+](Cc3cnn(C)c3)CC2)O1	ZINC000096263054	436529391	/nfs/dbraw/zinc/52/93/91/436529391.db2.gz	AFTGIQNEGVUFMA-AWEZNQCLSA-N	1	0	344.419	0.253	40	0		ECABRO
COc1cc(N2C[C@H]3C[C@@H](C(=O)NCC4CC4)N(C)[C@H]3C2)ncn1	ZINC000107203825	436608813	/nfs/dbraw/zinc/60/88/13/436608813.db2.gz	KNNRDJOHPBTYGA-RDBSUJKOSA-N	1	0	331.420	0.520	40	0		ECABRO
CN(C)C(=O)CO[C@H]1CCOC2(C[NH+](CC3CCOCC3)C2)C1	ZINC000248061504	436799515	/nfs/dbraw/zinc/79/95/15/436799515.db2.gz	ZAKFFCSKHLIVED-HNNXBMFYSA-N	1	0	326.437	0.751	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2ncc[nH]2)CC[N@@H+](C2CCOCC2)C1	ZINC000257246795	436860150	/nfs/dbraw/zinc/86/01/50/436860150.db2.gz	IVWBMLALXMBTEP-CQSZACIVSA-N	1	0	335.452	0.411	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC[N@H+](C)C1	ZINC000257290984	436864839	/nfs/dbraw/zinc/86/48/39/436864839.db2.gz	QFCOBIJSJJWUTR-AWEZNQCLSA-N	1	0	342.403	0.017	40	0		ECABRO
Cc1ccnc([C@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CCO2)n1	ZINC000257311636	436868216	/nfs/dbraw/zinc/86/82/16/436868216.db2.gz	UKJRZRGNPZLXMY-MRXNPFEDSA-N	1	0	347.463	0.711	40	0		ECABRO
NC(=O)[C@@H]1CN(C(=O)CC2CCCC2)CC[N@@H+](C2CCOCC2)C1	ZINC000257325356	436872279	/nfs/dbraw/zinc/87/22/79/436872279.db2.gz	WSPIVXBYARGDSC-HNNXBMFYSA-N	1	0	337.464	0.991	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)C2=Cc3ccccc3OC2)CC[N@H+](C)C1	ZINC000257338885	436873903	/nfs/dbraw/zinc/87/39/03/436873903.db2.gz	YZHLTIRVVUXKDK-OAHLLOKOSA-N	1	0	329.400	0.599	40	0		ECABRO
CS(=O)(=O)CCN1C[C@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1=O	ZINC000585099311	439629446	/nfs/dbraw/zinc/62/94/46/439629446.db2.gz	COLXCVFOJWTYHF-DZGCQCFKSA-N	1	0	330.450	0.134	40	0		ECABRO
COCCN1C(=O)CCC[C@H]2CN(C(=O)/C=C/C[NH+](C)C)CC[C@H]21	ZINC000585289811	439641800	/nfs/dbraw/zinc/64/18/00/439641800.db2.gz	NZQLPPVQJJAXHQ-AUPUMLSVSA-N	1	0	337.464	0.980	40	0		ECABRO
CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000585292083	439642021	/nfs/dbraw/zinc/64/20/21/439642021.db2.gz	WTNNUEIOUHILGN-HTTMXYCZSA-N	1	0	337.464	0.321	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCCn2nc(C)cc2C)CC[N@H+](C)C1	ZINC000257252683	536398693	/nfs/dbraw/zinc/39/86/93/536398693.db2.gz	JVSGAKJENMTYAE-HNNXBMFYSA-N	1	0	335.452	0.416	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2ccnc(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257288574	536400411	/nfs/dbraw/zinc/40/04/11/536400411.db2.gz	PUUSZSOMUITIDT-HNNXBMFYSA-N	1	0	347.463	0.444	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1	ZINC000257213258	536414044	/nfs/dbraw/zinc/41/40/44/536414044.db2.gz	CGUQIOPLFZXYNA-GOSISDBHSA-N	1	0	348.447	0.392	40	0		ECABRO
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)[C@]1(C[NH3+])CO	ZINC000242648885	545934418	/nfs/dbraw/zinc/93/44/18/545934418.db2.gz	RJIROVUMEBHVLO-UTUOFQBUSA-N	1	0	334.235	0.897	40	0		ECABRO
C[NH+](C)CCNC(=O)CN(Cc1ccccc1Cl)S(C)(=O)=O	ZINC000224874003	564043860	/nfs/dbraw/zinc/04/38/60/564043860.db2.gz	YXQHQKRNALNBBS-UHFFFAOYSA-N	1	0	347.868	0.779	40	0		ECABRO
c1c(CC2([NH2+]C3CCOCC3)COC2)noc1CN1CCOCC1	ZINC000067898414	215245873	/nfs/dbraw/zinc/24/58/73/215245873.db2.gz	RZBDICMMADELHQ-UHFFFAOYSA-N	1	0	337.420	0.587	40	0	biogenic,in-vitro	ECABRO
Cc1cc(NCC[NH+](C)C)nc([C@H]2CCCN2S(C)(=O)=O)n1	ZINC000072365010	216171246	/nfs/dbraw/zinc/17/12/46/216171246.db2.gz	UUGXYKGZWGWCSG-GFCCVEGCSA-N	1	0	327.454	0.855	40	0		ECABRO
Cc1ccsc1C[N@@H+]1C[C@@H](O)[C@](O)(CNC(=O)c2cnccn2)C1	ZINC000257249733	244266095	/nfs/dbraw/zinc/26/60/95/244266095.db2.gz	JJOKRSRVNARMBE-ZBFHGGJFSA-N	1	0	348.428	0.184	40	0		ECABRO
Cn1cc(-c2cc(C(=O)N3CC[C@@](O)(C[NH+]4CCCC4)C3)no2)cn1	ZINC000257268653	244370285	/nfs/dbraw/zinc/37/02/85/244370285.db2.gz	MMOYVXVCIDWUIU-QGZVFWFLSA-N	1	0	345.403	0.748	40	0		ECABRO
CN1CC[NH+]([C@H]2CCN(C(=O)CCCn3cccn3)CC[C@@H]2O)CC1	ZINC000257262455	244350091	/nfs/dbraw/zinc/35/00/91/244350091.db2.gz	LLLOIXFKJPUUBD-IRXDYDNUSA-N	1	0	349.479	0.263	40	0		ECABRO
O=C1CCC(=O)N1C[C@H]1CC[C@H]2CN(c3ncccn3)CC[N@@H+]2C1	ZINC000003780500	275016683	/nfs/dbraw/zinc/01/66/83/275016683.db2.gz	UXWBIYCPUVWKHP-KBPBESRZSA-N	1	0	329.404	0.526	40	0	investigational	ECABRO
COc1cc2c(cc1OC)[C@H]1C[C@](CC(N)=O)(C(N)=O)CC[N@@H+]1CC2	ZINC000001612268	277395217	/nfs/dbraw/zinc/39/52/17/277395217.db2.gz	ZYLDOXRRCGMALP-FZKQIMNGSA-N	1	0	347.415	0.744	40	0		ECABRO
C[NH+](C)CCN1CC[C@@]2(CCCN(S(=O)(=O)C3CC3)C2)C1=O	ZINC000096223885	289156554	/nfs/dbraw/zinc/15/65/54/289156554.db2.gz	CXGKNYAOLGRHHM-OAHLLOKOSA-N	1	0	329.466	0.355	40	0		ECABRO
Cc1nc(N)cc([C@@H]2CCC[N@@H+]2C2CCN(S(C)(=O)=O)CC2)n1	ZINC000257292270	293290529	/nfs/dbraw/zinc/29/05/29/293290529.db2.gz	QKSREEFUDGVDEN-AWEZNQCLSA-N	1	0	339.465	0.928	40	0		ECABRO
C[NH+](C)CCn1c2ccc(C(=O)CN3CCOCC3)cc2oc1=O	ZINC000001652403	435961068	/nfs/dbraw/zinc/96/10/68/435961068.db2.gz	YYNTUUXAKMKYKL-UHFFFAOYSA-N	1	0	333.388	0.671	40	0		ECABRO
CC(C)NC(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	ZINC000008297959	436026021	/nfs/dbraw/zinc/02/60/21/436026021.db2.gz	AZLNHLQPMVGKDE-BMFZPTHFSA-N	1	0	334.468	0.575	40	0	biogenic,in-vitro	ECABRO
Cc1cn(CCCC[C@H]([NH3+])C(=O)[O-])c[n+]1CCCC[C@H]([NH3+])C(=O)[O-]	ZINC000059067630	301022555	/nfs/dbraw/zinc/02/25/55/301022555.db2.gz	NVJLIMSDAPOFHF-KBPBESRZSA-O	1	0	341.432	0.248	40	0	in-vitro	ECABRO
O=S1(=O)[C@H]2C[C@@H]3C[NH2+]C[C@@]2(CN1Cc1cccc(Cl)c1)O3	ZINC000096145977	436516426	/nfs/dbraw/zinc/51/64/26/436516426.db2.gz	CHBGNFUAXNWUQQ-RDBSUJKOSA-N	1	0	328.821	0.985	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CCC3(C[C@@H]([NH+](C)C)CO3)CC2)c1	ZINC000096158638	436517054	/nfs/dbraw/zinc/51/70/54/436517054.db2.gz	OUUNTQXGVKPFGD-GFCCVEGCSA-N	1	0	328.438	0.294	40	0		ECABRO
CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCCO1)CCC2	ZINC000096197562	436521057	/nfs/dbraw/zinc/52/10/57/436521057.db2.gz	DOSDFXPJJQKPHT-OAHLLOKOSA-N	1	0	348.447	0.995	40	0		ECABRO
Cc1cc(C(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)no1	ZINC000096197315	436521208	/nfs/dbraw/zinc/52/12/08/436521208.db2.gz	PGZHZHREBAKVQX-UHFFFAOYSA-N	1	0	344.419	0.583	40	0		ECABRO
Cn1cc(C[N@@H+]2CC[C@H]3OCC[C@@]3(C(=O)N3CCOCC3)C2)cn1	ZINC000096038716	436504191	/nfs/dbraw/zinc/50/41/91/436504191.db2.gz	FZYCPWBGIPKFSN-NVXWUHKLSA-N	1	0	334.420	0.260	40	0		ECABRO
CNC(=O)CN1CCOC[C@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1	ZINC000096049481	436507238	/nfs/dbraw/zinc/50/72/38/436507238.db2.gz	YSPOVZOJQZULLV-KRWDZBQOSA-N	1	0	335.452	0.081	40	0		ECABRO
C[NH+]1CCN(Cc2cn3c(n2)CN(CC2CCOCC2)CC3)CC1	ZINC000096059428	436508940	/nfs/dbraw/zinc/50/89/40/436508940.db2.gz	SZDCEWPOQAVHAX-UHFFFAOYSA-N	1	0	333.480	0.873	40	0		ECABRO
Cc1cc(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3C)C2)no1	ZINC000096064391	436509186	/nfs/dbraw/zinc/50/91/86/436509186.db2.gz	ZCDZEFKQZYKRCC-IPYPFGDCSA-N	1	0	330.392	0.810	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)c2ccncc2)C3)CC1	ZINC000096070115	436510554	/nfs/dbraw/zinc/51/05/54/436510554.db2.gz	RNPMXKUFKIRJJU-UHFFFAOYSA-N	1	0	340.431	0.682	40	0		ECABRO
CS(=O)(=O)N1CCCn2nnc(COCC[NH+]3CCCC3)c2C1	ZINC000096258993	436528227	/nfs/dbraw/zinc/52/82/27/436528227.db2.gz	OWAOZYHLJQCMAQ-UHFFFAOYSA-N	1	0	343.453	0.056	40	0		ECABRO
CN(C)C(=O)Cn1c(=O)ccc2c1CC[N@H+](Cc1ccccn1)CC2	ZINC000096260682	436528867	/nfs/dbraw/zinc/52/88/67/436528867.db2.gz	QJENNOOVHLLMQY-UHFFFAOYSA-N	1	0	340.427	0.932	40	0		ECABRO
CCS(=O)(=O)N1CCOC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000107738877	436615040	/nfs/dbraw/zinc/61/50/40/436615040.db2.gz	GMHKFDBQJVURRU-GJZGRUSLSA-N	1	0	332.466	0.539	40	0		ECABRO
CS(=O)(=O)CCC(=O)N1Cc2cncn2[C@@H](C[NH+]2CCCC2)C1	ZINC000247538815	436796297	/nfs/dbraw/zinc/79/62/97/436796297.db2.gz	ROJKWGFADVEJKO-AWEZNQCLSA-N	1	0	340.449	0.297	40	0		ECABRO
Cc1cc(C[N@@H+]2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)oc1C	ZINC000247990024	436799297	/nfs/dbraw/zinc/79/92/97/436799297.db2.gz	AIWXJICPZSSJDX-YUELXQCFSA-N	1	0	328.434	0.892	40	0		ECABRO
O=C(Cn1nnc2ccccc21)N1CC[C@](O)(C[NH+]2CCCC2)C1	ZINC000257201917	436859718	/nfs/dbraw/zinc/85/97/18/436859718.db2.gz	AJQDMEDEBUWBCV-KRWDZBQOSA-N	1	0	329.404	0.491	40	0		ECABRO
CCOc1ccc(C[N@@H+]2CCN(C(C)=O)C[C@@H](C(N)=O)C2)cc1CO	ZINC000257287427	436861136	/nfs/dbraw/zinc/86/11/36/436861136.db2.gz	PPXXLPQOKPCYPT-INIZCTEOSA-N	1	0	349.431	0.343	40	0		ECABRO
O=C(Cn1cccn1)N1CC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1	ZINC000257284272	436862128	/nfs/dbraw/zinc/86/21/28/436862128.db2.gz	PBZWHZCSTVKCMN-IBGZPJMESA-N	1	0	340.427	0.905	40	0		ECABRO
Cc1ncc(CNC(=O)CN2CCOCC2)c([C@H]2CCC[N@H+]2C)n1	ZINC000257274582	436862667	/nfs/dbraw/zinc/86/26/67/436862667.db2.gz	NLRBIPABJIFFGJ-OAHLLOKOSA-N	1	0	333.436	0.500	40	0		ECABRO
CNC(=O)[C@H]1CN(C(C)=O)CC[N@H+](CCOc2ccc(F)cc2)C1	ZINC000257303922	436865946	/nfs/dbraw/zinc/86/59/46/436865946.db2.gz	SJHWVWGJBVXQKG-CQSZACIVSA-N	1	0	337.395	0.731	40	0		ECABRO
Cc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575424379	438749475	/nfs/dbraw/zinc/74/94/75/438749475.db2.gz	KTZQQNUHPQARAN-ZDUSSCGKSA-N	1	0	346.474	0.440	40	0		ECABRO
C[N@@H+]1C[C@@H]2COCCN2C2(CN(C(=O)COc3ccccc3)C2)C1	ZINC000604381650	439311667	/nfs/dbraw/zinc/31/16/67/439311667.db2.gz	JGHGEWLOHPWRSK-OAHLLOKOSA-N	1	0	331.416	0.293	40	0	biogenic,in-vitro	ECABRO
CN1CCN([C@H]2C[N@H+](Cc3ccc(OCCF)cc3)C[C@@H]2O)CC1	ZINC000585270315	439637316	/nfs/dbraw/zinc/63/73/16/439637316.db2.gz	UMVDLLIIHNDADV-ROUUACIJSA-N	1	0	337.439	0.827	40	0		ECABRO
CCOC(=O)[C@@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218131302	535596923	/nfs/dbraw/zinc/59/69/23/535596923.db2.gz	DPYIVCDNAIVXRK-YDHLFZDLSA-N	1	0	341.385	0.434	40	0		ECABRO
Cc1cc(Nc2cnccn2)nc([C@H]2CCCN(C(=O)C[NH3+])C2)n1	ZINC000072360886	216167387	/nfs/dbraw/zinc/16/73/87/216167387.db2.gz	CQFPIZGBEBAYMX-LBPRGKRZSA-N	1	0	327.392	0.983	40	0		ECABRO
Cc1nc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](C(CO)CO)C2)n1	ZINC000072363678	216169942	/nfs/dbraw/zinc/16/99/42/216169942.db2.gz	GAGAUKCHHHBCIH-CYBMUJFWSA-N	1	0	344.419	0.851	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2cc(C)nc([C@@H]3CCC[N@@H+](C)C3)n2)CC1	ZINC000072387212	216187322	/nfs/dbraw/zinc/18/73/22/216187322.db2.gz	BKDOQTRJAGASQX-OAHLLOKOSA-N	1	0	345.447	0.899	40	0		ECABRO
[NH3+]CCCCC(=O)NC[C@@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257206527	244137651	/nfs/dbraw/zinc/13/76/51/244137651.db2.gz	BDWFRRQTTXIWTO-SFHVURJKSA-N	1	0	343.431	0.816	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)Cn2c(C)nc3ccccc32)CC[N@H+](C)C1	ZINC000257206622	244137768	/nfs/dbraw/zinc/13/77/68/244137768.db2.gz	BEGQJZYHYXELFL-CQSZACIVSA-N	1	0	343.431	0.481	40	0		ECABRO
O=C(c1ccc(=O)[nH]n1)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000257216557	244172183	/nfs/dbraw/zinc/17/21/83/244172183.db2.gz	CVARDBOXCFJDDF-HZPDHXFCSA-N	1	0	340.383	0.014	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccc(-n3cccn3)nc2)CC[N@H+](C)C1	ZINC000257212795	244157468	/nfs/dbraw/zinc/15/74/68/244157468.db2.gz	CEYVALPJRMNXEI-CQSZACIVSA-N	1	0	342.403	0.017	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCCN(C(=O)c3ccc(=O)[nH]c3)CC2)CC1	ZINC000257213259	244157676	/nfs/dbraw/zinc/15/76/76/244157676.db2.gz	CGUQIOPLFZXYNA-SFHVURJKSA-N	1	0	348.447	0.392	40	0		ECABRO
CCS(=O)(=O)N1CC[C@](O)(C[N@H+](C)Cc2ccc(OC)cc2)C1	ZINC000257245186	244256215	/nfs/dbraw/zinc/25/62/15/244256215.db2.gz	IOKUJOQRIBUDJO-INIZCTEOSA-N	1	0	342.461	0.914	40	0		ECABRO
C[N@H+](C1CCOCC1)[C@H]1CCN(C(=O)Cn2ccnc2)CC[C@@H]1O	ZINC000257237812	244235111	/nfs/dbraw/zinc/23/51/11/244235111.db2.gz	HIGNZFKQRLXRCI-HOTGVXAUSA-N	1	0	336.436	0.346	40	0		ECABRO
Cc1c[nH]c([C@@H]2COCCN2C(=O)CN2CC[NH+](C(C)C)CC2)n1	ZINC000257251021	244268521	/nfs/dbraw/zinc/26/85/21/244268521.db2.gz	JPBVHOYKLCODOS-HNNXBMFYSA-N	1	0	335.452	0.644	40	0		ECABRO
CC(=O)N[C@H]1CC[N@H+](Cc2cnn3c2nc(C)cc3C)CC[C@@H]1O	ZINC000257257670	244287037	/nfs/dbraw/zinc/28/70/37/244287037.db2.gz	KQQMFLQXLQGQKO-HOTGVXAUSA-N	1	0	331.420	0.808	40	0		ECABRO
C[C@@H](c1ccccc1)n1cc(C(=O)NCCN2CC[NH+](C)CC2)nn1	ZINC000020027272	212094613	/nfs/dbraw/zinc/09/46/13/212094613.db2.gz	XKDBXFQHAQTQAS-HNNXBMFYSA-N	1	0	342.447	0.865	40	0		ECABRO
CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccccc3C)CC(=O)N2)CC1	ZINC000020029555	212094660	/nfs/dbraw/zinc/09/46/60/212094660.db2.gz	VOKQLQWVFTUGJF-OAHLLOKOSA-N	1	0	343.431	0.816	40	0		ECABRO
CCCN1c2ccccc2[C@@]2(N=C(N3CCOCC3)NC(=[NH2+])N2)C1=O	ZINC000019330845	212017155	/nfs/dbraw/zinc/01/71/55/212017155.db2.gz	YSGQYRWHYCYJKP-QGZVFWFLSA-N	1	0	342.403	0.202	40	0		ECABRO
CNC(=O)C[NH+]1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O	ZINC000257209511	277229166	/nfs/dbraw/zinc/22/91/66/277229166.db2.gz	BQSIXJWGFXVFLY-ZBFHGGJFSA-N	1	0	331.416	0.437	40	0		ECABRO
Cc1nonc1CC(=O)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257341889	293997303	/nfs/dbraw/zinc/99/73/03/293997303.db2.gz	ZMIFKFHONCYKRV-XNRPHZJLSA-N	1	0	338.408	0.041	40	0		ECABRO
C[C@H](C(=O)NCCC[NH+](C)C)N(c1ccccc1)S(C)(=O)=O	ZINC000010111404	298152472	/nfs/dbraw/zinc/15/24/72/298152472.db2.gz	HONHDCKBHQANNC-CYBMUJFWSA-N	1	0	327.450	0.909	40	0		ECABRO
CN1CCC([NH2+][C@@H]2CO[C@H](CNC(=O)C3CCCC3)[C@H]2O)CC1	ZINC000077265344	436230383	/nfs/dbraw/zinc/23/03/83/436230383.db2.gz	URXJULYSLSZRAU-OAGGEKHMSA-N	1	0	325.453	0.105	40	0	biogenic,in-vitro	ECABRO
Cn1cccc1C(=O)N1CC[C@H]2CO[C@H](C[NH+]3CCN(C)CC3)[C@H]2C1	ZINC000096056263	436505905	/nfs/dbraw/zinc/50/59/05/436505905.db2.gz	USDWYWAWGOBQQX-XYJFISCASA-N	1	0	346.475	0.750	40	0		ECABRO
CCn1nnc2c1[C@@H](COCC[NH+](C)C)CN(S(=O)(=O)CC)C2	ZINC000096045538	436506435	/nfs/dbraw/zinc/50/64/35/436506435.db2.gz	CTLDPFACXOAUQK-GFCCVEGCSA-N	1	0	345.469	0.125	40	0		ECABRO
O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccnc2)N1CCN1CCOCC1	ZINC000096056567	436507081	/nfs/dbraw/zinc/50/70/81/436507081.db2.gz	JUNCQNLCHBHKNQ-QZTJIDSGSA-N	1	0	344.459	0.979	40	0		ECABRO
CN1CCN(C(=O)[C@H]2CC[C@@H]3[C@@H](CC[N@@H+]3Cc3ccccn3)O2)CC1	ZINC000096057508	436507321	/nfs/dbraw/zinc/50/73/21/436507321.db2.gz	IDVCJYXCWLSQLR-KZNAEPCWSA-N	1	0	344.459	0.978	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1ccccn1)C2	ZINC000096060673	436508629	/nfs/dbraw/zinc/50/86/29/436508629.db2.gz	FVHBCSYVEAMFHK-AWEZNQCLSA-N	1	0	330.436	0.888	40	0		ECABRO
CNC(=O)CO[C@@H]1CO[C@@]2(C1)CCC[N@H+](Cc1ccc(OC)nc1)C2	ZINC000096073545	436509524	/nfs/dbraw/zinc/50/95/24/436509524.db2.gz	XZXYQUJZTXLBPR-MAUKXSAKSA-N	1	0	349.431	0.976	40	0		ECABRO
O[C@@H]1C[C@@](C[NH2+]Cc2cccnc2)(COc2cnccn2)C[C@@H]1O	ZINC000107430551	436612337	/nfs/dbraw/zinc/61/23/37/436612337.db2.gz	ZDZTUVZVUZBCKX-SCAQPMJSSA-N	1	0	330.388	0.542	40	0	biogenic,in-vitro	ECABRO
O=S(=O)(C1CC1)N1CCO[C@H]2CCN(Cc3ccccn3)C[C@@H]21	ZINC000108525922	436619813	/nfs/dbraw/zinc/61/98/13/436619813.db2.gz	KSTFCXBQOGPAAZ-HOTGVXAUSA-N	1	0	337.445	0.849	40	0		ECABRO
O=C(NCC[C@H]1CCOC12C[NH+](C1CCOCC1)C2)c1cnccn1	ZINC000247464560	436794512	/nfs/dbraw/zinc/79/45/12/436794512.db2.gz	CDPYKJUIWBWDQZ-AWEZNQCLSA-N	1	0	346.431	0.866	40	0		ECABRO
Cc1c(CN2CC[N@@H+](C3CCOCC3)C[C@@H](C(N)=O)C2)cnn1C	ZINC000257280497	436861213	/nfs/dbraw/zinc/86/12/13/436861213.db2.gz	OLCRZCQRQXXLEU-HNNXBMFYSA-N	1	0	335.452	0.127	40	0		ECABRO
Cn1nccc1C(=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257284318	436861944	/nfs/dbraw/zinc/86/19/44/436861944.db2.gz	PCFIOYABUDYODX-CQSZACIVSA-N	1	0	328.363	0.728	40	0		ECABRO
O=C(Cn1nc2ccccc2n1)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257300271	436865236	/nfs/dbraw/zinc/86/52/36/436865236.db2.gz	RTROTGKGZUSJHR-QGZVFWFLSA-N	1	0	329.404	0.491	40	0		ECABRO
CC(=O)NC[C@]1(O)CC[N@H+](CCOc2ccc(F)cc2)C[C@H]1O	ZINC000257303704	436865698	/nfs/dbraw/zinc/86/56/98/436865698.db2.gz	SIJCAEBYSYOKHF-HZPDHXFCSA-N	1	0	326.368	0.138	40	0		ECABRO
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)/C=C/c3ccncc3)C2)CC1	ZINC000257308126	436867611	/nfs/dbraw/zinc/86/76/11/436867611.db2.gz	TVMVSGPPZBXLKW-DCKQQPRJSA-N	1	0	330.432	0.306	40	0		ECABRO
COc1cccc(CC(=O)N2CC[C@@](O)(C[NH+]3CCN(C)CC3)C2)c1	ZINC000257306696	436868004	/nfs/dbraw/zinc/86/80/04/436868004.db2.gz	SVKQOMAMKZRYFV-LJQANCHMSA-N	1	0	347.459	0.449	40	0		ECABRO
Cc1nc2ccccc2n1CC(=O)N1CC[N@@H+](C)C[C@H](C(N)=O)C1	ZINC000257314108	436870528	/nfs/dbraw/zinc/87/05/28/436870528.db2.gz	UVIPTILXWPBTAV-ZDUSSCGKSA-N	1	0	329.404	0.220	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccccc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257338699	436875056	/nfs/dbraw/zinc/87/50/56/436875056.db2.gz	YYOMVBHGBPVOQN-MRXNPFEDSA-N	1	0	345.443	0.986	40	0		ECABRO
CN1C[C@H](c2ccccc2)[C@@]2(CN(C(=O)C[NH+](C)C)CCO2)C1=O	ZINC000306139609	437166809	/nfs/dbraw/zinc/16/68/09/437166809.db2.gz	TVSFXMJTNRPNRW-QAPCUYQASA-N	1	0	331.416	0.401	40	0		ECABRO
C[C@@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000329064662	437312173	/nfs/dbraw/zinc/31/21/73/437312173.db2.gz	XKZPCPITECWTRZ-JSGCOSHPSA-N	1	0	329.404	0.766	40	0		ECABRO
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1	ZINC000514289521	438813528	/nfs/dbraw/zinc/81/35/28/438813528.db2.gz	NCZSHOYHVUSLOX-HZPDHXFCSA-N	1	0	333.407	0.677	40	0	biogenic,in-vitro	ECABRO
CO[C@@H]1CC[N@H+](Cc2cncnc2)C[C@H]1CC(=O)N1CCOCC1	ZINC000585273156	439637004	/nfs/dbraw/zinc/63/70/04/439637004.db2.gz	ATRWYJXDQPTGNW-HZPDHXFCSA-N	1	0	334.420	0.562	40	0		ECABRO
COCCN1CCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1	ZINC000257255499	536871765	/nfs/dbraw/zinc/87/17/65/536871765.db2.gz	KHSSATYVYCVQFD-UHFFFAOYSA-N	1	0	343.431	0.735	40	0		ECABRO
O=C(Nc1nccs1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CO)nn1	ZINC000008298446	545656356	/nfs/dbraw/zinc/65/63/56/545656356.db2.gz	IKBVCTCWJMSXLQ-RTXFEEFZSA-N	1	0	348.432	0.576	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CCN1C(=O)CC[C@]12CCCN(S(=O)(=O)C1CC1)CC2	ZINC000096217730	282098270	/nfs/dbraw/zinc/09/82/70/282098270.db2.gz	GQLOWEGGEUZPLO-INIZCTEOSA-N	1	0	343.493	0.887	40	0		ECABRO
CCN1C(=O)[C@@H]2[C@H](c3ccc(O)cc3)N[C@](CC)(C(=O)OC)[C@H]2C1=O	ZINC000100420630	219099015	/nfs/dbraw/zinc/09/90/15/219099015.db2.gz	PBVUXEVKFKGMQM-AHXJXLJNSA-N	1	0	346.383	0.979	40	0		ECABRO
CC(C)[N@@H+]1CC[C@@H]2[C@H]1C(=O)NC[C@H](CCC(=O)N1CCCC1)N2C	ZINC000035442386	213028530	/nfs/dbraw/zinc/02/85/30/213028530.db2.gz	LAASYKLWWXAWNN-UXLLHSPISA-N	1	0	336.480	0.671	40	0	biogenic,in-vitro	ECABRO
CC(=O)N1CCC[C@@](O)(C[NH+]2CC(c3[nH]nc4nccnc43)C2)CC1	ZINC000072367467	216174635	/nfs/dbraw/zinc/17/46/35/216174635.db2.gz	RDZALAYKDMHKHN-KRWDZBQOSA-N	1	0	344.419	0.516	40	0		ECABRO
COCCNc1ccc(C[C@@H]2CCC[N@H+](CC(=O)N(C)C)C2)nn1	ZINC000072387302	216187225	/nfs/dbraw/zinc/18/72/25/216187225.db2.gz	FPLTZUCGMPTRBM-AWEZNQCLSA-N	1	0	335.452	0.878	40	0		ECABRO
C[NH+]1CCN(CCNC(=O)c2ccc(NS(C)(=O)=O)cc2)CC1	ZINC000022935120	212338588	/nfs/dbraw/zinc/33/85/88/212338588.db2.gz	WXCPPZTUCPFCRJ-UHFFFAOYSA-N	1	0	340.449	0.035	40	0		ECABRO
COc1cccc(O[C@@H]2C[C@@H](NC(C)=O)[C@H]([N@H+](C)CCO)[C@H]2O)c1	ZINC000257242773	244247363	/nfs/dbraw/zinc/24/73/63/244247363.db2.gz	IEBPLHCEEVHLPR-NCOADZHNSA-N	1	0	338.404	0.005	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)CC1	ZINC000257258254	244287103	/nfs/dbraw/zinc/28/71/03/244287103.db2.gz	KSZTUFYTRPYSGK-OAHLLOKOSA-N	1	0	349.435	0.028	40	0		ECABRO
C[NH+](C)CC(=O)N1C[C@H]2OCC(=O)N(Cc3ccc(F)cc3)[C@@H]2C1	ZINC000257260540	244348568	/nfs/dbraw/zinc/34/85/68/244348568.db2.gz	LDHXAJHEBWUCOP-HUUCEWRRSA-N	1	0	335.379	0.326	40	0		ECABRO
CN(C)S(=O)(=O)N1Cc2ccnn2[C@@H](CC[NH+]2CCCCC2)C1	ZINC000306139949	257924284	/nfs/dbraw/zinc/92/42/84/257924284.db2.gz	UFBQVGLGZSVBMU-HNNXBMFYSA-N	1	0	341.481	0.922	40	0		ECABRO
CCOCC(=O)N1CCC[C@@]2(C[C@H](C[NH+]3CCOCC3)CO2)C1	ZINC000096228425	276312754	/nfs/dbraw/zinc/31/27/54/276312754.db2.gz	IMBHBEWGFBLDQF-NVXWUHKLSA-N	1	0	326.437	0.753	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cnc(C)nc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257259000	277009840	/nfs/dbraw/zinc/00/98/40/277009840.db2.gz	KWJZTULPSUBSDT-MRXNPFEDSA-N	1	0	347.463	0.444	40	0		ECABRO
CC(=O)Nc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1	ZINC000022830048	277081755	/nfs/dbraw/zinc/08/17/55/277081755.db2.gz	ANWBULZUBFAJSM-UHFFFAOYSA-N	1	0	340.449	0.171	40	0		ECABRO
CN1CC[NH+]([C@@H]2COC3(C2)CCN(C(=O)c2cnccn2)CC3)CC1	ZINC000096048859	277111097	/nfs/dbraw/zinc/11/10/97/277111097.db2.gz	CSDZEGQQUZXEAD-HNNXBMFYSA-N	1	0	345.447	0.488	40	0		ECABRO
Cc1n[nH]c(C)c1CCC(=O)N1CC[C@](O)(C[NH+]2CCN(C)CC2)C1	ZINC000257313125	279054294	/nfs/dbraw/zinc/05/42/94/279054294.db2.gz	URDCYCBWOVJHSE-SFHVURJKSA-N	1	0	349.479	0.170	40	0		ECABRO
COc1ncccc1C[N@@H+]1C[C@@H]2COC[C@]2(COCC(=O)N(C)C)C1	ZINC000096108701	436513701	/nfs/dbraw/zinc/51/37/01/436513701.db2.gz	LYDBDYAPMONIOP-QAPCUYQASA-N	1	0	349.431	0.643	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@@H]3COC[C@]3(C(=O)NCc3ccccn3)C2)cn1	ZINC000096110096	436513809	/nfs/dbraw/zinc/51/38/09/436513809.db2.gz	DCKHOYYMUBPZRN-CRAIPNDOSA-N	1	0	341.415	0.580	40	0		ECABRO
O=C1CC[C@H]2[C@H](CCN2S(=O)(=O)C2CC2)N1CC[NH+]1CCCC1	ZINC000096186309	436519806	/nfs/dbraw/zinc/51/98/06/436519806.db2.gz	AEQRQEUCBWXPPQ-GJZGRUSLSA-N	1	0	341.477	0.640	40	0		ECABRO
C[NH+](C)CCn1c(=O)ccc2c1CC[C@@H](NC(=O)c1cnccn1)C2	ZINC000096189645	436522136	/nfs/dbraw/zinc/52/21/36/436522136.db2.gz	PKUIWPSGTDLUOE-CQSZACIVSA-N	1	0	341.415	0.487	40	0		ECABRO
CCC(=O)N(CCCNC(=O)CBr)C1CC[NH2+]CC1	ZINC000095627697	436499297	/nfs/dbraw/zinc/49/92/97/436499297.db2.gz	BBTPUCNRKPFDGL-UHFFFAOYSA-N	1	0	334.258	0.878	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H]3OCC[C@H]3[C@@H](C(=O)N3CCCCO3)C2)cn1	ZINC000096041191	436505687	/nfs/dbraw/zinc/50/56/87/436505687.db2.gz	UUBLOTTUNMSCLO-HRCADAONSA-N	1	0	334.420	0.811	40	0		ECABRO
CC(C)[N@@H+]1CCOC[C@@]2(CN(C(=O)C3CCOCC3)CCO2)C1	ZINC000096049768	436506471	/nfs/dbraw/zinc/50/64/71/436506471.db2.gz	DLCYPYCRRCFLFA-KRWDZBQOSA-N	1	0	326.437	0.751	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)N2CCCC2)C3)CC1	ZINC000096061805	436508481	/nfs/dbraw/zinc/50/84/81/436508481.db2.gz	XNASBEGPVZMCPJ-UHFFFAOYSA-N	1	0	332.452	0.662	40	0		ECABRO
C[NH+](C)CC(=O)N1C[C@H]2OCC(=O)N(Cc3cccc(F)c3)[C@@H]2C1	ZINC000096081663	436510663	/nfs/dbraw/zinc/51/06/63/436510663.db2.gz	JEKZLRNVMSYKGZ-HUUCEWRRSA-N	1	0	335.379	0.326	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(CC2CCOCC2)C3)CC1	ZINC000096087570	436511481	/nfs/dbraw/zinc/51/14/81/436511481.db2.gz	HPKSBGHXEZYNQE-UHFFFAOYSA-N	1	0	333.480	0.873	40	0		ECABRO
O=S(=O)(C1CC1)N1CCO[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2C1	ZINC000096108055	436513025	/nfs/dbraw/zinc/51/30/25/436513025.db2.gz	CHVUPIRBSWGXBJ-GDBMZVCRSA-N	1	0	344.477	0.538	40	0		ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)c1ccnnc1	ZINC000096217547	436524996	/nfs/dbraw/zinc/52/49/96/436524996.db2.gz	ZDXIYGCDHPFVIN-AEFFLSMTSA-N	1	0	339.399	0.750	40	0		ECABRO
Cn1cc(N2C[C@]3(CC[N@H+](Cc4cccnc4)C3)N(C)CC2=O)cn1	ZINC000096230534	436526556	/nfs/dbraw/zinc/52/65/56/436526556.db2.gz	WPGRGWZJUOIFCB-GOSISDBHSA-N	1	0	340.431	0.738	40	0		ECABRO
Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccco4)C3)N(C)CC2=O)cn1	ZINC000096230529	436527137	/nfs/dbraw/zinc/52/71/37/436527137.db2.gz	QERWANYDHMRRNU-KRWDZBQOSA-N	1	0	329.404	0.936	40	0		ECABRO
O=c1n(Cc2ccccc2F)nc2c(N3CC[NH2+]CC3)nccn12	ZINC000096530666	436534067	/nfs/dbraw/zinc/53/40/67/436534067.db2.gz	IAXDLMSDQGQUOF-UHFFFAOYSA-N	1	0	328.351	0.488	40	0		ECABRO
CC(C)[NH2+]C[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCC(F)(F)C3)O[C@@H]2[C@@H]1O	ZINC000225518688	436711577	/nfs/dbraw/zinc/71/15/77/436711577.db2.gz	IEEHVMOCTFEUGG-PRSHDEELSA-N	1	0	348.390	0.528	40	0	biogenic,in-vitro	ECABRO
NC(=O)C[C@H]1CC[C@@H](C[NH3+])N1C(=O)c1cccc(-n2cnnc2)c1	ZINC000257202986	436858754	/nfs/dbraw/zinc/85/87/54/436858754.db2.gz	AODXEWDYYANAOF-KGLIPLIRSA-N	1	0	328.376	0.075	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2ccn(C)n2)CC[N@@H+](C2CCOCC2)C1	ZINC000257315562	436870543	/nfs/dbraw/zinc/87/05/43/436870543.db2.gz	VBYCNMBSRPXWMN-AWEZNQCLSA-N	1	0	335.452	0.079	40	0		ECABRO
Cc1c[nH]c([C@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CCO2)n1	ZINC000257323520	436871166	/nfs/dbraw/zinc/87/11/66/436871166.db2.gz	WKOQGGOYXCTAGQ-OAHLLOKOSA-N	1	0	335.452	0.644	40	0		ECABRO
CNC(=O)[C@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccc(C)s2)C1	ZINC000257332140	436872127	/nfs/dbraw/zinc/87/21/27/436872127.db2.gz	XVXOAYWECGQPPQ-GFCCVEGCSA-N	1	0	345.490	0.496	40	0		ECABRO
Cn1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccc(F)cc3)C1)OC2	ZINC000306138585	437166781	/nfs/dbraw/zinc/16/67/81/437166781.db2.gz	SBCXHRPBBOTFSG-KRWDZBQOSA-N	1	0	346.362	0.256	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@@H]1C2	ZINC000306135629	437168513	/nfs/dbraw/zinc/16/85/13/437168513.db2.gz	OWGZBYWLXFWLMT-QWRGUYRKSA-N	1	0	344.444	0.931	40	0		ECABRO
C[NH+](C)CCNc1nc(NC[C@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000328960024	437292907	/nfs/dbraw/zinc/29/29/07/437292907.db2.gz	AWIHGWAAROVKKL-OAHLLOKOSA-N	1	0	342.447	0.947	40	0		ECABRO
CC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)Cc3ccccc3)C2)C1	ZINC000514288778	438812315	/nfs/dbraw/zinc/81/23/15/438812315.db2.gz	DYNPZLAFRGHTCA-IAGOWNOFSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
CCN1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12	ZINC000514288468	438813476	/nfs/dbraw/zinc/81/34/76/438813476.db2.gz	AYMZWGUVIZEEMO-DLBZAZTESA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
c1ccc(C[N@@H+]2C[C@@H]3COCCN3C3(CN(C4COC4)C3)C2)cc1	ZINC000604381684	439311840	/nfs/dbraw/zinc/31/18/40/439311840.db2.gz	KZYHLNDIKFJKRI-QGZVFWFLSA-N	1	0	329.444	0.656	40	0	biogenic,in-vitro	ECABRO
Cc1ccccc1N1CCC(O)(C[N@@H+]2CCO[C@](C)(C(N)=O)C2)CC1	ZINC000585283882	439640384	/nfs/dbraw/zinc/64/03/84/439640384.db2.gz	PLVPITQSNWVZOM-SFHVURJKSA-N	1	0	347.459	0.903	40	0		ECABRO
O[C@@H]1COC[C@@H](N2CCN(Cc3ccc4ccccc4n3)CC2)[C@@H]1O	ZINC000585292258	439641330	/nfs/dbraw/zinc/64/13/30/439641330.db2.gz	ZKNZTTQANQYPRI-QRVBRYPASA-N	1	0	343.427	0.473	40	0		ECABRO
Cn1cnc2c1C[C@H](COCc1ccccn1)N(C(=O)C[NH+](C)C)C2	ZINC000585094906	439628038	/nfs/dbraw/zinc/62/80/38/439628038.db2.gz	TYPJSJAZMHGBJF-OAHLLOKOSA-N	1	0	343.431	0.847	40	0		ECABRO
CC(C)[NH+]1CCN(CC(=O)N2CCO[C@H](c3cnccn3)C2)CC1	ZINC000257232167	535196709	/nfs/dbraw/zinc/19/67/09/535196709.db2.gz	GJRVVGYSBXDRIP-INIZCTEOSA-N	1	0	333.436	0.403	40	0		ECABRO
COc1ccc(S(N)(=O)=O)cc1C(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000004214355	210145284	/nfs/dbraw/zinc/14/52/84/210145284.db2.gz	QCKAYJICSQJJCU-JTQLQIEISA-N	1	0	327.406	0.167	40	0	in-man	ECABRO
C[NH2+]CC(=O)N1CCC[C@@H](c2ccnc(Nc3cnccn3)n2)C1	ZINC000072383019	216184264	/nfs/dbraw/zinc/18/42/64/216184264.db2.gz	CXPHLVUDAWJVRZ-GFCCVEGCSA-N	1	0	327.392	0.936	40	0		ECABRO
O=C(CCn1ccnc1)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257235537	283804143	/nfs/dbraw/zinc/80/41/43/283804143.db2.gz	GYFTXUMGRIZLGK-BFYDXBDKSA-N	1	0	336.436	0.394	40	0		ECABRO
Cc1ccccc1CC(=O)N1CC[C@@](O)(C[NH+]2CCN(C)CC2)C1	ZINC000257199722	244116085	/nfs/dbraw/zinc/11/60/85/244116085.db2.gz	AAPDQDTTXXAHJH-LJQANCHMSA-N	1	0	331.460	0.748	40	0		ECABRO
NC(=O)c1ccc2ccn([C@@H]3CN(C(=O)CCCC[NH3+])C[C@H]3O)c2n1	ZINC000257213602	244160533	/nfs/dbraw/zinc/16/05/33/244160533.db2.gz	CIGYZYARAYPKLY-ZIAGYGMSSA-N	1	0	345.403	0.008	40	0		ECABRO
Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](n3ccc(=O)[nH]c3=O)CC2)cn1	ZINC000257233418	244220026	/nfs/dbraw/zinc/22/00/26/244220026.db2.gz	GPEPEGQMHKEODQ-GJZGRUSLSA-N	1	0	330.388	0.850	40	0		ECABRO
CN(CC1(O)CCN(c2cccc3nccn32)CC1)C(=O)CC[NH3+]	ZINC000257236108	244229771	/nfs/dbraw/zinc/22/97/71/244229771.db2.gz	HAUQIVXYSREXPT-UHFFFAOYSA-N	1	0	331.420	0.473	40	0		ECABRO
CCS(=O)(=O)N1CCc2c(nc(C3CC[NH2+]CC3)nc2NC)C1	ZINC000019711310	212057435	/nfs/dbraw/zinc/05/74/35/212057435.db2.gz	ASDJLHYWNFDPSE-UHFFFAOYSA-N	1	0	339.465	0.693	40	0		ECABRO
Cc1cc(=O)n2c(n1)NC(N1CC[NH+](C)CC1)=N[C@@H]2c1cccnc1	ZINC000009265096	211060421	/nfs/dbraw/zinc/06/04/21/211060421.db2.gz	YQAJJUMKNYTPCX-HNNXBMFYSA-N	1	0	339.403	0.523	40	0		ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2C[C@@H](CCNc2ncccn2)C1	ZINC000306134965	257921467	/nfs/dbraw/zinc/92/14/67/257921467.db2.gz	OCWCOKUIGRDQOI-AWEZNQCLSA-N	1	0	343.435	0.695	40	0		ECABRO
Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1NCCO[C@@H]1C	ZINC000262268232	165320001	/nfs/dbraw/zinc/32/00/01/165320001.db2.gz	MSTGHERRRAQNAV-NFAWXSAZSA-N	1	0	338.477	0.767	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000030868462	436222488	/nfs/dbraw/zinc/22/24/88/436222488.db2.gz	MIHYGQOSLYHNRG-GFCCVEGCSA-N	1	0	345.490	0.827	40	0		ECABRO
OCCN1CC[NH+](C[C@@H](O)COCCOc2ccc(F)cc2)CC1	ZINC000041690324	436280759	/nfs/dbraw/zinc/28/07/59/436280759.db2.gz	AMEPMHHNOXGZHP-MRXNPFEDSA-N	1	0	342.411	0.192	40	0		ECABRO
COCC[N@@H+]1C[C@@H](C)[C@]2(C1)COCCN(C(=O)c1cnccn1)C2	ZINC000096202384	436523168	/nfs/dbraw/zinc/52/31/68/436523168.db2.gz	JMCQZPHFLQDQKG-PBHICJAKSA-N	1	0	334.420	0.534	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@H](C[NH2+]Cc2nccs2)C3)cn1	ZINC000096199170	436520916	/nfs/dbraw/zinc/52/09/16/436520916.db2.gz	FFAVPJVYEBFWTB-LLVKDONJSA-N	1	0	331.405	0.824	40	0		ECABRO
O=C(c1cnccn1)N1CC[N@@H+]2C[C@H](Oc3cccnc3)C[C@H]2C1	ZINC000096038541	436504314	/nfs/dbraw/zinc/50/43/14/436504314.db2.gz	IHMYTYNRKUWHTB-DZGCQCFKSA-N	1	0	325.372	0.849	40	0		ECABRO
CCS(=O)(=O)N1CCCn2c(=O)cc(C[NH+]3CCCC3)nc2C1	ZINC000096059591	436508641	/nfs/dbraw/zinc/50/86/41/436508641.db2.gz	MAPIVXKNDAQEBF-UHFFFAOYSA-N	1	0	340.449	0.395	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@H]3c2cnn(C)c2)cn1	ZINC000096061486	436508677	/nfs/dbraw/zinc/50/86/77/436508677.db2.gz	XZWASRKUHWUQSW-HNNXBMFYSA-N	1	0	328.420	0.792	40	0		ECABRO
Cn1nnc2c1[C@@H](COCC[NH+](C)C)CN(Cc1nccs1)C2	ZINC000096060662	436508914	/nfs/dbraw/zinc/50/89/14/436508914.db2.gz	QZUKNBLSNOCMCS-GFCCVEGCSA-N	1	0	336.465	0.949	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC2(CC1)COCCN(c1ncccn1)C2	ZINC000096078259	436510166	/nfs/dbraw/zinc/51/01/66/436510166.db2.gz	AQUXSGKVOHLEES-UHFFFAOYSA-N	1	0	333.436	0.484	40	0		ECABRO
O=C(Cn1cccn1)N1CCO[C@@]2(C1)COCC[N@H+](CC1CC1)C2	ZINC000096076650	436510676	/nfs/dbraw/zinc/51/06/76/436510676.db2.gz	GUEZPACMHONESV-KRWDZBQOSA-N	1	0	334.420	0.223	40	0		ECABRO
CN1CCN(C(=O)C[C@@H]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3O2)CC1	ZINC000096207265	436523300	/nfs/dbraw/zinc/52/33/00/436523300.db2.gz	ABNZSEFCBPBTAX-OKZBNKHCSA-N	1	0	344.459	0.835	40	0		ECABRO
O=C(C[C@H]1C[C@H]2C[N@H+](Cc3ccncc3)C[C@H]2O1)N1CCOCC1	ZINC000096215541	436525426	/nfs/dbraw/zinc/52/54/26/436525426.db2.gz	BMTVLOYXNFDJJQ-GVDBMIGSSA-N	1	0	331.416	0.920	40	0		ECABRO
CSc1ccc(S(=O)(=O)N(C)CC(=O)NCC[NH+](C)C)cc1	ZINC000225615557	436712142	/nfs/dbraw/zinc/71/21/42/436712142.db2.gz	XKJTWYRSQIAPSC-UHFFFAOYSA-N	1	0	345.490	0.707	40	0		ECABRO
O=S(=O)(c1cn[nH]c1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1	ZINC000257338659	436874537	/nfs/dbraw/zinc/87/45/37/436874537.db2.gz	YYJLXWLIUPNBHW-CQSZACIVSA-N	1	0	328.438	0.411	40	0		ECABRO
Cc1cc(C)nc(N2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)n1	ZINC000257205334	436860189	/nfs/dbraw/zinc/86/01/89/436860189.db2.gz	AYOSAEFUXOXSKX-AWEZNQCLSA-N	1	0	333.436	0.496	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cc(C)nc3onc(C)c32)CC[N@H+](C)C1	ZINC000257236456	436860416	/nfs/dbraw/zinc/86/04/16/436860416.db2.gz	HCHOTHYYXUSMCS-GFCCVEGCSA-N	1	0	345.403	0.589	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(Cc2cncn2C)CC[N@@H+](C2CCOCC2)C1	ZINC000257263387	436861300	/nfs/dbraw/zinc/86/13/00/436861300.db2.gz	LPRMDIVBEQANBT-HNNXBMFYSA-N	1	0	349.479	0.421	40	0		ECABRO
C[N@@H+]1CCC[C@@](C)(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1	ZINC000257294992	436864582	/nfs/dbraw/zinc/86/45/82/436864582.db2.gz	QWNOYVYCQPISOW-IAGOWNOFSA-N	1	0	325.453	0.014	40	0		ECABRO
CNC(=O)c1cccc([C@H]2CNCCN2C(=O)C2CC[NH2+]CC2)c1	ZINC000257309395	436868810	/nfs/dbraw/zinc/86/88/10/436868810.db2.gz	UAUDPMJOSDVMET-MRXNPFEDSA-N	1	0	330.432	0.519	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2c(F)cccc2Cl)C[C@H](C(N)=O)C1	ZINC000257327846	436872162	/nfs/dbraw/zinc/87/21/62/436872162.db2.gz	XCZZKUBMKBVEFP-SNVBAGLBSA-N	1	0	327.787	0.897	40	0		ECABRO
CNc1nccnc1C[C@H]1CCC[N@H+](CC(=O)N2CCOCC2)C1	ZINC000257335236	436875018	/nfs/dbraw/zinc/87/50/18/436875018.db2.gz	YJGQYXGWADLQDB-CQSZACIVSA-N	1	0	333.436	0.632	40	0		ECABRO
CC(C)[N@@H+]1CC[C@]2(CCn3c2nn(Cc2cccnc2)c(=O)c3=O)C1	ZINC000306145045	437166675	/nfs/dbraw/zinc/16/66/75/437166675.db2.gz	ZWABRTPKNCCXKO-SFHVURJKSA-N	1	0	341.415	0.604	40	0		ECABRO
C[C@@]1([NH2+]CCNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1	ZINC000575421121	438748735	/nfs/dbraw/zinc/74/87/35/438748735.db2.gz	GOIPPKHVMOSRBD-CYBMUJFWSA-N	1	0	332.447	0.132	40	0		ECABRO
CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@]2(O)CCC[NH2+]C2)CC1	ZINC000575624141	438751508	/nfs/dbraw/zinc/75/15/08/438751508.db2.gz	MEHQIYWCSGECBO-INIZCTEOSA-N	1	0	327.425	0.570	40	0		ECABRO
CC(C)N1CC2(C1)CN(C(=O)Cc1ccccc1)C[C@@H]1C[C@@H](O)C[N@H+]12	ZINC000514289450	438812655	/nfs/dbraw/zinc/81/26/55/438812655.db2.gz	LGLBOQMFECCROE-ZWKOTPCHSA-N	1	0	343.471	0.969	40	0	biogenic,in-vitro	ECABRO
COCCc1nccc(C[C@H]2[C@H]([NH2+]C3CCC3)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382383	439312409	/nfs/dbraw/zinc/31/24/09/439312409.db2.gz	PWMKDRAAEVVHMU-QBPKDAKJSA-N	1	0	335.448	0.708	40	0	biogenic,in-vitro	ECABRO
CCCCCC[NH+]1CC2(C1)CN(C(=O)COC)C[C@@H]1COCCN12	ZINC000604381634	439313189	/nfs/dbraw/zinc/31/31/89/439313189.db2.gz	IJVLTLSYTZCBDU-MRXNPFEDSA-N	1	0	339.480	0.811	40	0	biogenic,in-vitro	ECABRO
COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@@H+](CC(=O)N(C)C)C[C@@H]21	ZINC000585109769	439631001	/nfs/dbraw/zinc/63/10/01/439631001.db2.gz	RNWIREJSQBVQFT-RLFYNMQTSA-N	1	0	331.416	0.608	40	0		ECABRO
Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN(C(=O)C[NH3+])C2)n1	ZINC000072360881	216167002	/nfs/dbraw/zinc/16/70/02/216167002.db2.gz	XXAPHKOYYHJOLV-GFCCVEGCSA-N	1	0	327.392	0.983	40	0		ECABRO
OCC(CO)[N@@H+]1CCC[C@@H](c2cnc(Nc3ncccn3)cn2)C1	ZINC000072363670	216169971	/nfs/dbraw/zinc/16/99/71/216169971.db2.gz	OWHQRNOPBBGNOW-GFCCVEGCSA-N	1	0	330.392	0.543	40	0		ECABRO
Cc1cc(NCC[NH+](C)C)nc(C2CCN(S(C)(=O)=O)CC2)n1	ZINC000072365854	216171749	/nfs/dbraw/zinc/17/17/49/216171749.db2.gz	QGRUXKCNIGFTMJ-UHFFFAOYSA-N	1	0	341.481	0.898	40	0		ECABRO
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1[NH+]1CCCCC1)c1ccccc1	ZINC000020465689	212134892	/nfs/dbraw/zinc/13/48/92/212134892.db2.gz	OGGYIDQXXOSLIP-LTIDMASMSA-N	1	0	334.416	0.392	40	0	biogenic,in-vitro	ECABRO
O=C(CCn1ccnc1)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257209707	244147137	/nfs/dbraw/zinc/14/71/37/244147137.db2.gz	BROXNYVHSNRYLM-OAHLLOKOSA-N	1	0	342.390	0.968	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)c2cnn(C)c2)C1	ZINC000257216610	244171119	/nfs/dbraw/zinc/17/11/19/244171119.db2.gz	CVIWPHAOKHWHPZ-GOSISDBHSA-N	1	0	343.431	0.914	40	0		ECABRO
C[NH+](C)[C@H]1CC2(CCN(C(=O)c3ncccn3)CC2)OC[C@]1(C)O	ZINC000257256210	244280709	/nfs/dbraw/zinc/28/07/09/244280709.db2.gz	KKMNHCAALGBBGN-BBRMVZONSA-N	1	0	334.420	0.553	40	0		ECABRO
CC(=O)NC1CC[NH+](C[C@]2(O)CCN(C(=O)c3cccn3C)C2)CC1	ZINC000257309375	244487457	/nfs/dbraw/zinc/48/74/57/244487457.db2.gz	UARSTTGFNAHRCF-GOSISDBHSA-N	1	0	348.447	0.203	40	0		ECABRO
Cn1nnc2c1CCN(C(=O)C1CC1)[C@@H]2COCC[NH+]1CCCC1	ZINC000096045311	218530986	/nfs/dbraw/zinc/53/09/86/218530986.db2.gz	PTRLJFHGMHOIDQ-OAHLLOKOSA-N	1	0	333.436	0.763	40	0		ECABRO
Cn1cccc1C(=O)N1CCO[C@]2(C1)COCC[N@H+](CC1CC1)C2	ZINC000096076645	218576298	/nfs/dbraw/zinc/57/62/98/218576298.db2.gz	VWRFASXCWBMMOK-GOSISDBHSA-N	1	0	333.432	0.979	40	0		ECABRO
C[NH+](C)CCCNC(=O)CN(Cc1ccccc1)S(C)(=O)=O	ZINC000222958583	289115631	/nfs/dbraw/zinc/11/56/31/289115631.db2.gz	BQFWMZQKWRMMGC-UHFFFAOYSA-N	1	0	327.450	0.516	40	0		ECABRO
CS(=O)(=O)N[C@H]1COCCC12CC[NH+](CC1CCOCC1)CC2	ZINC000096219967	295538502	/nfs/dbraw/zinc/53/85/02/295538502.db2.gz	VTXACOJSEPLJTM-HNNXBMFYSA-N	1	0	346.493	0.833	40	0		ECABRO
O=C(Nc1ccccc1)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([NH+]2CCCC2)[C@H]1O	ZINC000012529658	436049825	/nfs/dbraw/zinc/04/98/25/436049825.db2.gz	DZUVRUMDKRHNLF-DGXTUMSLSA-N	1	0	333.388	0.757	40	0	biogenic,in-vitro	ECABRO
COCC(=O)N[C@@H](C)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C	ZINC000019079626	436105985	/nfs/dbraw/zinc/10/59/85/436105985.db2.gz	GTLLJYZPOCKMOI-ZFWWWQNUSA-N	1	0	349.431	0.489	40	0		ECABRO
COCC[NH+](CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC(C)C)O1	ZINC000030878746	436223837	/nfs/dbraw/zinc/22/38/37/436223837.db2.gz	ZETVJEKQCUQNOM-JYJNAYRXSA-N	1	0	346.468	0.404	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@]12COC[C@H]1C[N@H+](Cc1cccnc1)C2)c1ccno1	ZINC000096108475	436513748	/nfs/dbraw/zinc/51/37/48/436513748.db2.gz	KNEMOIDQORMPOM-PBHICJAKSA-N	1	0	328.372	0.948	40	0		ECABRO
O=C1CC[C@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1CCN1CCOCC1	ZINC000096186319	436519730	/nfs/dbraw/zinc/51/97/30/436519730.db2.gz	ZXWFQZZVXBEZFT-ROUUACIJSA-N	1	0	344.459	0.979	40	0		ECABRO
Cn1cc(CN2Cc3ccnn3C[C@H](COCC[NH+](C)C)C2)cn1	ZINC000096188960	436521405	/nfs/dbraw/zinc/52/14/05/436521405.db2.gz	GDVVZEDZUHWCJO-MRXNPFEDSA-N	1	0	332.452	0.827	40	0		ECABRO
Cn1cc(-c2nnn3c2CO[C@@H](C[NH2+]Cc2nccs2)C3)cn1	ZINC000096199169	436521891	/nfs/dbraw/zinc/52/18/91/436521891.db2.gz	FFAVPJVYEBFWTB-NSHDSACASA-N	1	0	331.405	0.824	40	0		ECABRO
C[NH+](C)CCN1CC2(CCN(C(=O)c3ccc[nH]3)CC2)OCC1=O	ZINC000096070206	436509785	/nfs/dbraw/zinc/50/97/85/436509785.db2.gz	HYLCLCCCXJVNTK-UHFFFAOYSA-N	1	0	334.420	0.410	40	0		ECABRO
CNC(=O)CO[C@H]1CO[C@]2(C1)CCC[N@H+](Cc1ccc(OC)nc1)C2	ZINC000096073546	436509907	/nfs/dbraw/zinc/50/99/07/436509907.db2.gz	XZXYQUJZTXLBPR-QAPCUYQASA-N	1	0	349.431	0.976	40	0		ECABRO
CN(C)C(=O)NCc1cc(=O)n2c(n1)C[N@H+](C1CCOCC1)CCC2	ZINC000096068123	436509969	/nfs/dbraw/zinc/50/99/69/436509969.db2.gz	KEGOJWXKTDKPCF-UHFFFAOYSA-N	1	0	349.435	0.399	40	0		ECABRO
COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1cccc(OC)c1)C2	ZINC000096108405	436512985	/nfs/dbraw/zinc/51/29/85/436512985.db2.gz	ZJYROUMUKRWJBD-QAPCUYQASA-N	1	0	334.416	0.906	40	0		ECABRO
CN1CCN(C(=O)C[C@H]2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3O2)CC1	ZINC000096207382	436523557	/nfs/dbraw/zinc/52/35/57/436523557.db2.gz	OLGUBBHKBVECRT-CGTJXYLNSA-N	1	0	344.459	0.835	40	0		ECABRO
Cc1ccc(N2CCC3(CC2)OCC(=O)N(CC[NH+](C)C)[C@H]3C)nn1	ZINC000096201532	436523703	/nfs/dbraw/zinc/52/37/03/436523703.db2.gz	WHHKGRABWRKNCB-HNNXBMFYSA-N	1	0	347.463	0.933	40	0		ECABRO
COc1cc(C)ccc1S(=O)(=O)N1C[C@@H]2C[N@H+](C)CCO[C@@H]2C1	ZINC000096214992	436525234	/nfs/dbraw/zinc/52/52/34/436525234.db2.gz	STCCCYGHRKUPOK-DZGCQCFKSA-N	1	0	340.445	0.955	40	0		ECABRO
Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccco4)C3)N(C)CC2=O)cn1	ZINC000096230530	436525910	/nfs/dbraw/zinc/52/59/10/436525910.db2.gz	QERWANYDHMRRNU-QGZVFWFLSA-N	1	0	329.404	0.936	40	0		ECABRO
CS(=O)(=O)N1CCOCC2(CC[NH+](Cc3ccc[nH]3)CC2)C1	ZINC000096240040	436526142	/nfs/dbraw/zinc/52/61/42/436526142.db2.gz	WVWDKYPMMSRZRA-UHFFFAOYSA-N	1	0	327.450	0.889	40	0		ECABRO
OCC[N@@H+]1CCOC[C@@]2(C[C@@H](CNc3ncccc3F)CO2)C1	ZINC000096240679	436526318	/nfs/dbraw/zinc/52/63/18/436526318.db2.gz	XZUUDMUKLDTOSQ-XJKSGUPXSA-N	1	0	325.384	0.732	40	0		ECABRO
Cc1nc(CN2C[C@H]3C[C@H](C(=O)NCC[NH+](C)C)[C@@H](C2)O3)cs1	ZINC000096253813	436527943	/nfs/dbraw/zinc/52/79/43/436527943.db2.gz	NSZZCINNMKTWQC-QLFBSQMISA-N	1	0	338.477	0.719	40	0		ECABRO
O=C(c1cc[nH]n1)N1CC[C@H]2OCCN(CC[NH+]3CCCC3)[C@H]2CC1	ZINC000096249364	436529116	/nfs/dbraw/zinc/52/91/16/436529116.db2.gz	UXSRZGKLEXRRDU-DLBZAZTESA-N	1	0	347.463	0.811	40	0		ECABRO
COCC[N@@H+]1CCOC[C@]2(CCCN(C(=O)[C@H]3CCCO3)C2)C1	ZINC000247825354	436796965	/nfs/dbraw/zinc/79/69/65/436796965.db2.gz	FNSZMJHDGAXWSA-NVXWUHKLSA-N	1	0	326.437	0.753	40	0		ECABRO
CNC(=O)c1cnn2c1nccc2[C@@H]1CCCN1C(=O)C[NH+](C)C	ZINC000257249499	436858349	/nfs/dbraw/zinc/85/83/49/436858349.db2.gz	JIQVORVHYLDCOT-LBPRGKRZSA-N	1	0	330.392	0.314	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@H+](C2CCCC2)C[C@H]1O)c1cscn1	ZINC000257292740	436864525	/nfs/dbraw/zinc/86/45/25/436864525.db2.gz	QMTJICPMOLFGHS-UKRRQHHQSA-N	1	0	325.434	0.613	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CC[N@H+](C)C1	ZINC000257301702	436867137	/nfs/dbraw/zinc/86/71/37/436867137.db2.gz	RZMXQUHUDCKQSI-GFCCVEGCSA-N	1	0	325.359	0.644	40	0		ECABRO
Cn1cc(C(=O)N2CC[C@@](O)(C[NH+]3CCC(F)(F)CC3)C2)cn1	ZINC000257310322	436868423	/nfs/dbraw/zinc/86/84/23/436868423.db2.gz	UEQFZOKGOCVQON-CQSZACIVSA-N	1	0	328.363	0.728	40	0		ECABRO
CC(=O)NC1CC[NH+](C[C@]2(O)CCCN(C(=O)C(C)C)CC2)CC1	ZINC000257316980	436871045	/nfs/dbraw/zinc/87/10/45/436871045.db2.gz	VHUZNJSLJWXSJM-SFHVURJKSA-N	1	0	339.480	0.987	40	0		ECABRO
Cc1nc(C)c(CC(=O)N2CCC[C@@](O)(C[NH+](C)C)CC2)c(=O)[nH]1	ZINC000257332263	436871671	/nfs/dbraw/zinc/87/16/71/436871671.db2.gz	XWMBUOGVMKEMBR-KRWDZBQOSA-N	1	0	336.436	0.647	40	0		ECABRO
[NH3+]CCCC(=O)NC[C@@]1(O)CCCN(c2ccnc3cccnc32)C1	ZINC000257333550	436871839	/nfs/dbraw/zinc/87/18/39/436871839.db2.gz	YCASZLRETLILAO-SFHVURJKSA-N	1	0	343.431	0.816	40	0		ECABRO
[NH3+]Cc1cn(-c2ccccc2C(=O)NCCN2CCOCC2)cn1	ZINC000257324817	436872663	/nfs/dbraw/zinc/87/26/63/436872663.db2.gz	WQHWHXFJNKOABM-UHFFFAOYSA-N	1	0	329.404	0.393	40	0		ECABRO
O=C(C[N@@H+]1CCC[C@@H](c2ccc3c[nH]nc3n2)C1)N1CCOCC1	ZINC000257327761	436873459	/nfs/dbraw/zinc/87/34/59/436873459.db2.gz	XCPAKVBYNCNPJZ-CQSZACIVSA-N	1	0	329.404	0.996	40	0		ECABRO
CCS(=O)(=O)CCN1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1	ZINC000306124917	437164549	/nfs/dbraw/zinc/16/45/49/437164549.db2.gz	CCBUTZMVERXYHQ-BFHYXJOUSA-N	1	0	340.449	0.270	40	0		ECABRO
C[NH+](C)CC(=O)N1CCC(C(=O)NCC2CC2)(n2cccn2)CC1	ZINC000306133846	437166832	/nfs/dbraw/zinc/16/68/32/437166832.db2.gz	MXUGFWHGEUIVOM-UHFFFAOYSA-N	1	0	333.436	0.289	40	0		ECABRO
C[C@H](CO)Nc1nc(NC[C@@H]2CCCO2)cc(-c2ccncc2)n1	ZINC000329064663	437310610	/nfs/dbraw/zinc/31/06/10/437310610.db2.gz	XKZPCPITECWTRZ-OCCSQVGLSA-N	1	0	329.404	0.766	40	0		ECABRO
Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575425572	438749321	/nfs/dbraw/zinc/74/93/21/438749321.db2.gz	STJSZESXFZJGFQ-CYBMUJFWSA-N	1	0	346.474	0.358	40	0		ECABRO
OCCC[N@@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3)C2)C1	ZINC000514289005	438812348	/nfs/dbraw/zinc/81/23/48/438812348.db2.gz	HZRFZTKBQTXGRH-QZTJIDSGSA-N	1	0	331.460	0.374	40	0	biogenic,in-vitro	ECABRO
CS(=O)(=O)CCN1C[C@]2(CCC[N@H+](C[C@H]3CCCO3)C2)C1=O	ZINC000585099313	439628852	/nfs/dbraw/zinc/62/88/52/439628852.db2.gz	COLXCVFOJWTYHF-UKRRQHHQSA-N	1	0	330.450	0.134	40	0		ECABRO
CNC(=O)[C@@H]1COC2(C[NH+](CC3CCOCC3)C2)CN1CC1CC1	ZINC000585109444	439630486	/nfs/dbraw/zinc/63/04/86/439630486.db2.gz	PJTIZAFDEARQTD-INIZCTEOSA-N	1	0	337.464	0.324	40	0		ECABRO
CNC(=O)C[C@@]1(O)COCC[N@H+](Cc2ccc3ccccc3n2)C1	ZINC000585280230	439638558	/nfs/dbraw/zinc/63/85/58/439638558.db2.gz	DEUXZSUQAYCNKD-SFHVURJKSA-N	1	0	329.400	0.934	40	0		ECABRO
Cc1cccc(N2CCC(O)(C[N@@H+]3CCO[C@@](C)(C(N)=O)C3)CC2)c1	ZINC000585282581	439640022	/nfs/dbraw/zinc/64/00/22/439640022.db2.gz	HFUOVULGZFOREG-GOSISDBHSA-N	1	0	347.459	0.903	40	0		ECABRO
COCC[NH2+]C[C@]1(O)CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1O	ZINC000585291585	439641085	/nfs/dbraw/zinc/64/10/85/439641085.db2.gz	SBJONDXPFNNHJT-ZBFHGGJFSA-N	1	0	342.823	0.053	40	0		ECABRO
COc1cc2c(cc1CN(C)[C@@H]1COC[C@@H](OC)[C@H]1O)OCO2	ZINC000585290596	439642145	/nfs/dbraw/zinc/64/21/45/439642145.db2.gz	FVIGVZRMINOPOZ-LYRGGWFBSA-N	1	0	325.361	0.630	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccccn1)C2	ZINC000096045455	282108684	/nfs/dbraw/zinc/10/86/84/282108684.db2.gz	VQEUIUJACMTSON-ZDUSSCGKSA-N	1	0	344.419	0.528	40	0		ECABRO
COC(=O)C1[C@H](c2ccc(NC(C)=O)cc2)[C@H](C(=O)OC)O[N+]1=O	ZINC000001590417	290929596	/nfs/dbraw/zinc/92/95/96/290929596.db2.gz	CVGQQXQYESYBBF-WCQYABFASA-N	1	0	336.300	0.340	40	0		ECABRO
CNC(=O)c1cccc(C[C@H]2COCC[N@H+](Cc3cnn(C)c3)C2)n1	ZINC000072382817	216184003	/nfs/dbraw/zinc/18/40/03/216184003.db2.gz	DOCSXFUFBXMAPJ-CQSZACIVSA-N	1	0	343.431	0.866	40	0		ECABRO
CCOC[C@]1(C[NH3+])[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(C)(=O)=O	ZINC000218133994	241299310	/nfs/dbraw/zinc/29/93/10/241299310.db2.gz	CPFFRSNGZKOVOH-QLFBSQMISA-N	1	0	327.402	0.907	40	0		ECABRO
O=C(c1cncc(O)c1)N1CCC[C@](O)(C[NH+]2CCOCC2)CC1	ZINC000257217440	244171814	/nfs/dbraw/zinc/17/18/14/244171814.db2.gz	CYYHZEYQUJOHJC-QGZVFWFLSA-N	1	0	335.404	0.477	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)Cn3cc(C)cn3)CC2)OC[C@]1(C)O	ZINC000257211462	244152692	/nfs/dbraw/zinc/15/26/92/244152692.db2.gz	BYYAAAJSYLONRL-HOCLYGCPSA-N	1	0	336.436	0.312	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)C2(c3ccccc3F)CC2)CC[N@H+](C)C1	ZINC000257267071	244365402	/nfs/dbraw/zinc/36/54/02/244365402.db2.gz	MFWLBCOKOUWDGV-CYBMUJFWSA-N	1	0	333.407	0.994	40	0		ECABRO
Nc1cc(CC[C@H]2CN(C(=O)CCN3CCCC3=O)CCO2)cc[nH+]1	ZINC000257268399	244366183	/nfs/dbraw/zinc/36/61/83/244366183.db2.gz	MLMYGOOVWIHCRE-HNNXBMFYSA-N	1	0	346.431	0.836	40	0		ECABRO
Cc1ccc(S(=O)(=O)NC2=NCN(CCC[NH+](C)C)CN2)cc1	ZINC000019959102	212090474	/nfs/dbraw/zinc/09/04/74/212090474.db2.gz	FTPWWEZKUPDIAT-UHFFFAOYSA-N	1	0	339.465	0.401	40	0		ECABRO
Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CC[NH3+])C3)c2n1	ZINC000257315118	244500012	/nfs/dbraw/zinc/50/00/12/244500012.db2.gz	UZZBWDRBJJSSRT-GOSISDBHSA-N	1	0	343.431	0.687	40	0		ECABRO
CC[NH+]1CCN(C2=[NH+][C@@H](c3ccco3)[C@H](C(=O)OC)C([O-])=N2)CC1	ZINC000019818096	212072453	/nfs/dbraw/zinc/07/24/53/212072453.db2.gz	ONCGDCALAKQHAE-STQMWFEESA-N	1	0	334.376	0.233	40	0		ECABRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([NH3+])C(C)C)C(C)C)C(C)C	ZINC000004778063	210276564	/nfs/dbraw/zinc/27/65/64/210276564.db2.gz	LIUXYJCYYMVZRA-AGIUHOORSA-N	1	0	329.441	0.424	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)CCc3cccs3)C2)CC1	ZINC000257309929	277108727	/nfs/dbraw/zinc/10/87/27/277108727.db2.gz	UCYAZIPSGSUWCV-QGZVFWFLSA-N	1	0	337.489	0.892	40	0		ECABRO
CN1CC[NH+](C[C@]2(O)CCN(C(=O)CCc3ccc(F)cc3)C2)CC1	ZINC000257296826	277108777	/nfs/dbraw/zinc/10/87/77/277108777.db2.gz	RENLMYNAJMGSDT-LJQANCHMSA-N	1	0	349.450	0.969	40	0		ECABRO
C[C@@]1(CO)C[N@H+](Cc2ccccc2)C[C@@H]2CN(C3COC3)CCN21	ZINC000253394162	289177465	/nfs/dbraw/zinc/17/74/65/289177465.db2.gz	AMUMSAGRKPZAPE-MJGOQNOKSA-N	1	0	331.460	0.638	40	0	biogenic,in-vitro	ECABRO
C[C@@]12C[C@H]3CN(C(=O)CN4CCCCS4(=O)=O)[C@@H]1CCC[C@@H]2[NH2+]3	ZINC000257324715	297943074	/nfs/dbraw/zinc/94/30/74/297943074.db2.gz	WPUVBKZUKNMVCP-AYDFFVQHSA-N	1	0	341.477	0.544	40	0		ECABRO
COC(=O)C1[C@H](c2ccc(NC(C)=O)cc2)[C@@H](C(=O)OC)O[N+]1=O	ZINC000001590415	435957818	/nfs/dbraw/zinc/95/78/18/435957818.db2.gz	CVGQQXQYESYBBF-AAEUAGOBSA-N	1	0	336.300	0.340	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2ccncc2)C1	ZINC000096188843	436520495	/nfs/dbraw/zinc/52/04/95/436520495.db2.gz	VFLFQZMYSFSILE-MRXNPFEDSA-N	1	0	342.447	0.588	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1Cn2nccc2CN(Cc2nccs2)C1	ZINC000096188835	436521009	/nfs/dbraw/zinc/52/10/09/436521009.db2.gz	WEPOINMIDLPZDH-CYBMUJFWSA-N	1	0	348.476	0.649	40	0		ECABRO
C[N@@H+]1[C@H](Cn2cncn2)C[C@@H]2CN(C(=O)c3ccncc3)CC[C@@H]21	ZINC000096064390	436508983	/nfs/dbraw/zinc/50/89/83/436508983.db2.gz	PNVODVRWEMTKFX-PMPSAXMXSA-N	1	0	326.404	0.908	40	0		ECABRO
Cc1nc(CN2CCO[C@@H]3CN(C(=O)C[NH+](C)C)C[C@@H]3C2)cs1	ZINC000096206502	436523433	/nfs/dbraw/zinc/52/34/33/436523433.db2.gz	QIPNNIVTFYSRPD-DZGCQCFKSA-N	1	0	338.477	0.672	40	0		ECABRO
CN1CCN(Cc2cccnc2)[C@@]2(CC[N@@H+](C3CCOCC3)C2)C1=O	ZINC000096229609	436526916	/nfs/dbraw/zinc/52/69/16/436526916.db2.gz	DOFLDLJWDYJDCW-LJQANCHMSA-N	1	0	344.459	0.979	40	0		ECABRO
O=C(N1CCOCC1)[C@@]12CCO[C@@H]1CC[N@H+](Cc1ccncc1)C2	ZINC000107710155	436615183	/nfs/dbraw/zinc/61/51/83/436615183.db2.gz	LQZYEOZFCMEKEO-SJLPKXTDSA-N	1	0	331.416	0.921	40	0		ECABRO
CNC(=O)C1([N@@H+]2CCC[C@H]2C(=O)NCCNC(C)=O)CCCCC1	ZINC000225403345	436710116	/nfs/dbraw/zinc/71/01/16/436710116.db2.gz	KAGOSLWQMDSMRK-AWEZNQCLSA-N	1	0	338.452	0.152	40	0	biogenic,in-vitro	ECABRO
O=C(CCn1nnc2ccccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257337317	436874229	/nfs/dbraw/zinc/87/42/29/436874229.db2.gz	YSHYXWJJCIMCGX-GOSISDBHSA-N	1	0	343.431	0.881	40	0		ECABRO
C[N@@H+]1CCN(C(=O)CCc2nc3ccccc3[nH]2)C[C@@H](C(N)=O)C1	ZINC000257298349	436866835	/nfs/dbraw/zinc/86/68/35/436866835.db2.gz	RLHXEVGAUJYMBM-LBPRGKRZSA-N	1	0	329.404	0.371	40	0		ECABRO
COc1ccc([C@@H]2C[NH2+]CCN2C(=O)Cn2nc(C)ccc2=O)cc1	ZINC000257316780	436869686	/nfs/dbraw/zinc/86/96/86/436869686.db2.gz	VGYXCZMGYATDOZ-INIZCTEOSA-N	1	0	342.399	0.733	40	0		ECABRO
CC(=O)N1CCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1	ZINC000257318248	436870484	/nfs/dbraw/zinc/87/04/84/436870484.db2.gz	VNCBWQCVYXXJAD-UHFFFAOYSA-N	1	0	327.388	0.635	40	0		ECABRO
NC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]([NH3+])Cc1ccc(O)cc1	ZINC000169521389	436943323	/nfs/dbraw/zinc/94/33/23/436943323.db2.gz	KIHQBNDANGJYBJ-IAGOWNOFSA-N	1	0	339.395	0.701	40	0		ECABRO
C[C@H](CO)Nc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329033247	437304662	/nfs/dbraw/zinc/30/46/62/437304662.db2.gz	QRWFSUXNDJYEEK-SNVBAGLBSA-N	1	0	347.385	0.934	40	0		ECABRO
Cc1ccc(S(=O)(=O)N(CC[NH3+])[C@H]2CCS(=O)(=O)C2)cc1C	ZINC000575420476	438748261	/nfs/dbraw/zinc/74/82/61/438748261.db2.gz	BYEKDCWSRCSDAL-ZDUSSCGKSA-N	1	0	346.474	0.440	40	0		ECABRO
O=C(c1ccccc1)N1CC2(C1)C[N@H+](CCCO)C[C@@H]1C[C@@H](O)CN12	ZINC000514289876	438811559	/nfs/dbraw/zinc/81/15/59/438811559.db2.gz	PLYKKEUBAOJEEU-DLBZAZTESA-N	1	0	345.443	0.014	40	0	biogenic,in-vitro	ECABRO
Cn1ccnc1CN1C[C@H]2NS(=O)(=O)c3ccccc3O[C@H]2C1	ZINC000514289988	438812617	/nfs/dbraw/zinc/81/26/17/438812617.db2.gz	QOUUBNJOTPNWOB-YPMHNXCESA-N	1	0	334.401	0.344	40	0	biogenic,in-vitro	ECABRO
CS(=O)(=O)CCN1C[C@@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1=O	ZINC000585099314	439629778	/nfs/dbraw/zinc/62/97/78/439629778.db2.gz	COLXCVFOJWTYHF-ZFWWWQNUSA-N	1	0	330.450	0.134	40	0		ECABRO
CN(C(=O)CC1=CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585285623	439640249	/nfs/dbraw/zinc/64/02/49/439640249.db2.gz	FMNDHFWVTCHLPI-NFAWXSAZSA-N	1	0	326.437	0.432	40	0		ECABRO
C[NH+](C)C/C=C/C(=O)N1CC[C@H](O)[C@@H]([N@H+](C)C2CCOCC2)CC1	ZINC000585290315	439641827	/nfs/dbraw/zinc/64/18/27/439641827.db2.gz	UWIRNQAWIQOHLV-XLYSIVADSA-N	1	0	339.480	0.567	40	0		ECABRO
CC(C)n1nccc1CN1CC[N@@H+](C2CCOCC2)C[C@@H](C(N)=O)C1	ZINC000257205823	535146425	/nfs/dbraw/zinc/14/64/25/535146425.db2.gz	BASZDBHPCORJBG-HNNXBMFYSA-N	1	0	349.479	0.862	40	0		ECABRO
Cc1cc(NC(=O)[C@H]2C[C@H]3[C@H](CC[N@H+]3Cc3cnn(C)c3)O2)n(C)n1	ZINC000097954346	219064588	/nfs/dbraw/zinc/06/45/88/219064588.db2.gz	HDYFYXQJUCEILF-SOUVJXGZSA-N	1	0	344.419	0.833	40	0		ECABRO
Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nc([C@@H]2CCC[N@@H+](C)C2)n1	ZINC000072365917	216171269	/nfs/dbraw/zinc/17/12/69/216171269.db2.gz	VDHACTDAJDCNRL-CQSZACIVSA-N	1	0	345.447	0.932	40	0		ECABRO
O=C(c1ccc(-n2cccn2)nc1)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257205344	244133612	/nfs/dbraw/zinc/13/36/12/244133612.db2.gz	AYPMXNREVQGZOA-GOSISDBHSA-N	1	0	341.415	0.940	40	0		ECABRO
O=C(NC[C@]1(O)CC[N@@H+](CC2CCCCC2)C[C@H]1O)c1cnccn1	ZINC000257210083	244145876	/nfs/dbraw/zinc/14/58/76/244145876.db2.gz	BTBVAPXVYJNXFW-SJLPKXTDSA-N	1	0	348.447	0.584	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2ccnc2)C1	ZINC000257215993	244167300	/nfs/dbraw/zinc/16/73/00/244167300.db2.gz	CSPCMZSHWSPJQQ-SFHVURJKSA-N	1	0	343.431	0.764	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2cc3nc(C)cc(C)n3n2)CC[N@H+](C)C1	ZINC000257260544	244346671	/nfs/dbraw/zinc/34/66/71/244346671.db2.gz	LDIAZJWHVKBARX-CYBMUJFWSA-N	1	0	344.419	0.096	40	0		ECABRO
C[N@@H+]1CCC[C@@H](NC(=O)Cn2cc(NC(=O)c3ccccn3)cn2)C1	ZINC000019749813	212062025	/nfs/dbraw/zinc/06/20/25/212062025.db2.gz	UINQVOQGWNLMCS-CYBMUJFWSA-N	1	0	342.403	0.741	40	0		ECABRO
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCCC[C@@H]1C[NH+]1CCCCC1	ZINC000012238165	211328479	/nfs/dbraw/zinc/32/84/79/211328479.db2.gz	SAEKLLSEYDWQDC-CQSZACIVSA-N	1	0	348.447	0.781	40	0		ECABRO
O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)N1CCOCC1	ZINC000004895179	210315040	/nfs/dbraw/zinc/31/50/40/210315040.db2.gz	ACVAJMKBEIXDSL-UHFFFAOYSA-N	1	0	329.404	0.927	40	0		ECABRO
CC(C)C[NH+]1CC2(C1)CN(C(=O)c1cccnc1)C[C@@H]1C[C@@H](O)CN12	ZINC000514290432	257845431	/nfs/dbraw/zinc/84/54/31/257845431.db2.gz	ZIMZCIAAFRJEKT-DLBZAZTESA-N	1	0	344.459	0.683	40	0	biogenic,in-vitro	ECABRO
O=C([C@H]1CCOC1)N1CCC[C@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096224266	304446678	/nfs/dbraw/zinc/44/66/78/304446678.db2.gz	ZFAHRDOLYBLJPI-LPHOPBHVSA-N	1	0	349.475	0.960	40	0		ECABRO
CN(C)C(=O)C[NH+]1CCC2(CC1)C[C@@H](O)[C@H](c1ccccc1)NC2=O	ZINC000257263882	276752416	/nfs/dbraw/zinc/75/24/16/276752416.db2.gz	LRVYWCNFOLJJGS-WBVHZDCISA-N	1	0	345.443	0.779	40	0		ECABRO
C[NH+](C)CCNC(=O)CN(c1ccccc1Cl)S(C)(=O)=O	ZINC000010111556	289160534	/nfs/dbraw/zinc/16/05/34/289160534.db2.gz	FTGQRIUOZDVWQV-UHFFFAOYSA-N	1	0	333.841	0.784	40	0		ECABRO
Cc1cccc(N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O)c1C	ZINC000010111571	436037356	/nfs/dbraw/zinc/03/73/56/436037356.db2.gz	DZIHLNVFSVCCDW-UHFFFAOYSA-N	1	0	327.450	0.747	40	0		ECABRO
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCCN(C(C)=O)C1)C2=O	ZINC000019699980	436106677	/nfs/dbraw/zinc/10/66/77/436106677.db2.gz	IKFVKFHPFHRLLF-CQSZACIVSA-N	1	0	336.436	0.794	40	0		ECABRO
CN(C)c1cc(CN(C)S(=O)(=O)N(C)C)nc([C@H]2CCC[NH2+]2)n1	ZINC000019760276	436107127	/nfs/dbraw/zinc/10/71/27/436107127.db2.gz	YJRPZECGHUBNQW-GFCCVEGCSA-N	1	0	342.469	0.205	40	0		ECABRO
O=S1(=O)CC[C@@H]([NH2+]CCCCCO[C@@H]2CCS(=O)(=O)C2)C1	ZINC000040177507	436262496	/nfs/dbraw/zinc/26/24/96/436262496.db2.gz	DWSCIUVDGYPMSM-CHWSQXEVSA-N	1	0	339.479	0.137	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[NH+](C)C)OC[C@@H]3C2)c1	ZINC000096185250	436519980	/nfs/dbraw/zinc/51/99/80/436519980.db2.gz	BWVMAVFDRIJQSS-RWMBFGLXSA-N	1	0	328.438	0.007	40	0		ECABRO
C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)c2ccccn2)CC3)CC1	ZINC000096197316	436521160	/nfs/dbraw/zinc/52/11/60/436521160.db2.gz	SOYKTJXEFPZXRD-UHFFFAOYSA-N	1	0	340.431	0.682	40	0		ECABRO
CS(=O)(=O)N[C@@H]1CC[N@H+](C[C@H]2CCOC2)[C@H]1Cc1cccnc1	ZINC000096200883	436522388	/nfs/dbraw/zinc/52/23/88/436522388.db2.gz	FCTULRPCRBGGHG-OAGGEKHMSA-N	1	0	339.461	0.653	40	0		ECABRO
Cn1cc(N2C[C@]3(CC[N@H+](Cc4ccoc4)C3)N(C)CC2=O)cn1	ZINC000096050342	436505985	/nfs/dbraw/zinc/50/59/85/436505985.db2.gz	FMYIHNHFCMIZPF-QGZVFWFLSA-N	1	0	329.404	0.936	40	0		ECABRO
C[NH+](C)CCOC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCOC2)C1	ZINC000096066822	436508501	/nfs/dbraw/zinc/50/85/01/436508501.db2.gz	HQCZBGBQIVJGAH-HUUCEWRRSA-N	1	0	336.436	0.456	40	0		ECABRO
Cn1cc(C[N@@H+]2C[C@H](C(=O)N3CCCCO3)C[C@H]3OCC[C@H]32)cn1	ZINC000096064935	436509210	/nfs/dbraw/zinc/50/92/10/436509210.db2.gz	SPCPSRLDFWWUEG-BZUAXINKSA-N	1	0	334.420	0.954	40	0		ECABRO
CS(=O)(=O)NC[C@@H]1CCC[C@]2(CC[N@@H+](C3CCOCC3)C2)O1	ZINC000096207927	436522957	/nfs/dbraw/zinc/52/29/57/436522957.db2.gz	RQLQCXZLBVNJTR-LSDHHAIUSA-N	1	0	332.466	0.728	40	0		ECABRO
CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(S(C)(=O)=O)C3)O2)CC1	ZINC000096216745	436524184	/nfs/dbraw/zinc/52/41/84/436524184.db2.gz	DBBSXUYFNFIVON-HUUCEWRRSA-N	1	0	331.482	0.207	40	0		ECABRO
C[NH+](C)CC(=O)N1CCO[C@]2(CCCN(c3ncccc3F)C2)C1	ZINC000096226410	436526906	/nfs/dbraw/zinc/52/69/06/436526906.db2.gz	PFPOBEQURZXIRO-QGZVFWFLSA-N	1	0	336.411	0.980	40	0		ECABRO
COCC[N@@H+]1C[C@H]2N(c3ncccn3)CCC[C@@]2(C(=O)N(C)C)C1	ZINC000096251171	436528277	/nfs/dbraw/zinc/52/82/77/436528277.db2.gz	PDTOMHTZDBSFLI-RHSMWYFYSA-N	1	0	333.436	0.482	40	0		ECABRO
COc1cccc(CN2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)c1	ZINC000108527129	436618861	/nfs/dbraw/zinc/61/88/61/436618861.db2.gz	HKCOUTMEJCGMFJ-HOTGVXAUSA-N	1	0	340.445	0.930	40	0		ECABRO
C[NH+]1CCN(Cc2cnc3n2CCN(C(=O)[C@@H]2CCOC2)C3)CC1	ZINC000248071765	436798871	/nfs/dbraw/zinc/79/88/71/436798871.db2.gz	XPTASCMPKFSURW-CQSZACIVSA-N	1	0	333.436	0.009	40	0		ECABRO
COCC(=O)NC[C@H]1CCC2(CN(c3cc(N(C)C)ncn3)C2)OC1	ZINC000248118233	436800870	/nfs/dbraw/zinc/80/08/70/436800870.db2.gz	MHVUSVWQBIZMJJ-CYBMUJFWSA-N	1	0	349.435	0.291	40	0		ECABRO
CCN(C)S(=O)(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO	ZINC000248405722	436802196	/nfs/dbraw/zinc/80/21/96/436802196.db2.gz	AUQSFEJTHHOJOZ-INIZCTEOSA-N	1	0	341.477	0.929	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CC[N@H+](C)C1	ZINC000257336123	436874301	/nfs/dbraw/zinc/87/43/01/436874301.db2.gz	YNHOSWKJKYTEAY-OAHLLOKOSA-N	1	0	345.447	0.432	40	0		ECABRO
OCCCOc1ccc(C[N@@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)cc1	ZINC000257340131	436874130	/nfs/dbraw/zinc/87/41/30/436874130.db2.gz	ZERQDTPCDHWZGE-ROUUACIJSA-N	1	0	336.432	0.325	40	0		ECABRO
Cc1cc(C)n2ncc(CN3CC[N@H+](C)C[C@@H](C(=O)N(C)C)C3)c2n1	ZINC000257343517	436878080	/nfs/dbraw/zinc/87/80/80/436878080.db2.gz	ZTIBQHPELHGRMU-MRXNPFEDSA-N	1	0	344.463	0.798	40	0		ECABRO
CN1c2nn(Cc3ccccc3)c(=O)c(=O)n2CC12CC[NH+](C)CC2	ZINC000306130553	437164109	/nfs/dbraw/zinc/16/41/09/437164109.db2.gz	JJNJWWCJNUVMOT-UHFFFAOYSA-N	1	0	341.415	0.368	40	0		ECABRO
O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCNC[C@H]1c1ccncc1	ZINC000333353784	437268167	/nfs/dbraw/zinc/26/81/67/437268167.db2.gz	BQHDKFTVNGJSTJ-HOCLYGCPSA-N	1	0	341.419	0.384	40	0		ECABRO
CC(=O)N1C[C@H]2C[C@@H](O)C[N@@H+]2C2(CN(CCc3ccccc3)C2)C1	ZINC000514288571	438811534	/nfs/dbraw/zinc/81/15/34/438811534.db2.gz	CSWKEGBMWDTUQC-QZTJIDSGSA-N	1	0	329.444	0.581	40	0	biogenic,in-vitro	ECABRO
COc1ccccc1CN1CC2(C1)CN(C(C)=O)C[C@H]1C[C@@H](O)CN12	ZINC000514288772	438811751	/nfs/dbraw/zinc/81/17/51/438811751.db2.gz	DUXNLXNMFZETBJ-IAGOWNOFSA-N	1	0	345.443	0.547	40	0	biogenic,in-vitro	ECABRO
Cc1nccc(C[C@H]2[C@H]([NH2+]Cc3cccnc3)C[C@@H](O)[C@@H]2CO)n1	ZINC000604382124	439312862	/nfs/dbraw/zinc/31/28/62/439312862.db2.gz	GFBFEUMEVUXSLC-BRSBDYLESA-N	1	0	328.416	0.870	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1C[C@@H](COCC(=O)N2CCCC2)CC12CN(Cc1cn[nH]c1)C2	ZINC000585093732	439628376	/nfs/dbraw/zinc/62/83/76/439628376.db2.gz	AVTYNOZOBUYBOO-HNNXBMFYSA-N	1	0	347.463	0.555	40	0		ECABRO
Cc1noc(C)c1CN1C[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1=O	ZINC000585099322	439629615	/nfs/dbraw/zinc/62/96/15/439629615.db2.gz	DKWLBZZEYLIJBV-QGZVFWFLSA-N	1	0	334.420	0.804	40	0		ECABRO
CS(=O)(=O)CCN1C[C@@]2(CCC[N@H+](C[C@H]3CCCO3)C2)C1=O	ZINC000585099312	439629711	/nfs/dbraw/zinc/62/97/11/439629711.db2.gz	COLXCVFOJWTYHF-HIFRSBDPSA-N	1	0	330.450	0.134	40	0		ECABRO
CNC(=O)[C@H]1CN(Cc2cnn3c2nc(C)cc3C)CC[N@H+](C)C1	ZINC000585182334	439636017	/nfs/dbraw/zinc/63/60/17/439636017.db2.gz	NWZPVAPXOQPWTO-OAHLLOKOSA-N	1	0	330.436	0.456	40	0		ECABRO
O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH+]2CCC(O)CC2)C1	ZINC000585290604	439642201	/nfs/dbraw/zinc/64/22/01/439642201.db2.gz	DIQAHYIIMBCMGU-MJGOQNOKSA-N	1	0	348.443	0.010	40	0		ECABRO
CNC(=O)c1c[nH]nc1[C@@H]1CC[N@H+](Cc2cnn3cccnc23)C1	ZINC000257275117	536438840	/nfs/dbraw/zinc/43/88/40/536438840.db2.gz	NNYZJKWUYRKBKN-LLVKDONJSA-N	1	0	325.376	0.802	40	0		ECABRO
CC[NH+]1CCN(CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1	ZINC000257263274	535653749	/nfs/dbraw/zinc/65/37/49/535653749.db2.gz	LPCFFBXQVLGIFW-IAGOWNOFSA-N	1	0	333.432	0.275	40	0		ECABRO
C[NH+](C)C[C@]1(O)CCCN(C(=O)CCNC(=O)c2cccnc2)CC1	ZINC000257255028	535974399	/nfs/dbraw/zinc/97/43/99/535974399.db2.gz	KFUONMJEASZEFX-SFHVURJKSA-N	1	0	348.447	0.507	40	0		ECABRO
C[NH2+]CC(=O)N1CC[C@H](c2nc(C)cc(Nc3cnccn3)n2)C1	ZINC000072383033	216183618	/nfs/dbraw/zinc/18/36/18/216183618.db2.gz	XXONPFREIVHLDY-LBPRGKRZSA-N	1	0	327.392	0.854	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)c2ccn(C)n2)C1	ZINC000257219329	244179166	/nfs/dbraw/zinc/17/91/66/244179166.db2.gz	DGKPNVCEKWGGAP-SFHVURJKSA-N	1	0	343.431	0.914	40	0		ECABRO
O=C(NCC[NH2+]CCO)c1c(O)c2c(n(C3CC3)c1=O)CCCC2	ZINC000020029582	212094965	/nfs/dbraw/zinc/09/49/65/212094965.db2.gz	HRUJLKKNBZDQEZ-UHFFFAOYSA-N	1	0	335.404	0.079	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cccnc2)CC[N@@H+](C2CCOCC2)C1	ZINC000257271558	244380735	/nfs/dbraw/zinc/38/07/35/244380735.db2.gz	MYUVIGYLELGYMV-HNNXBMFYSA-N	1	0	346.431	0.381	40	0		ECABRO
CCN1CCN(C2=[NH+][C@H](c3ccccc3)C(C(=O)OC)=C(O)N2)CC1	ZINC000019817994	212071986	/nfs/dbraw/zinc/07/19/86/212071986.db2.gz	FQBNKBBVURYZHV-LSDHHAIUSA-N	1	0	344.415	0.640	40	0		ECABRO
Cc1cccc(CN2CCO[C@]3(C2)COCCN(CC[NH+](C)C)C3)n1	ZINC000096228918	281216927	/nfs/dbraw/zinc/21/69/27/281216927.db2.gz	TUDARFIHBHWNHX-LJQANCHMSA-N	1	0	348.491	0.855	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(c2ncccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257250793	289007993	/nfs/dbraw/zinc/00/79/93/289007993.db2.gz	JOAJLPCFXKVKLU-AWEZNQCLSA-N	1	0	333.436	0.482	40	0		ECABRO
CNc1cc(CN(C)S(=O)(=O)N(C)C)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019760714	436107853	/nfs/dbraw/zinc/10/78/53/436107853.db2.gz	RVGVCNOQUQJQSN-NSHDSACASA-N	1	0	328.442	0.181	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@@H]1Cn2nccc2CN(Cc2ccco2)C1	ZINC000096188824	436521259	/nfs/dbraw/zinc/52/12/59/436521259.db2.gz	HBKOFUPUYRMNDR-AWEZNQCLSA-N	1	0	331.420	0.786	40	0		ECABRO
CN1CCN(C(=O)c2[nH]nc3c2C[N@@H+](C2CCOCC2)CC3)CC1	ZINC000096044162	436505303	/nfs/dbraw/zinc/50/53/03/436505303.db2.gz	ZIDBWGIYLPTHNT-UHFFFAOYSA-N	1	0	333.436	0.334	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21	ZINC000096057190	436506897	/nfs/dbraw/zinc/50/68/97/436506897.db2.gz	PISGTYMLJZZUEW-OAGGEKHMSA-N	1	0	336.436	0.267	40	0		ECABRO
O=C(C1CCOCC1)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+]1CCCC1	ZINC000096081765	436510638	/nfs/dbraw/zinc/51/06/38/436510638.db2.gz	YNHPXKLWMAPIQH-SJORKVTESA-N	1	0	337.464	0.420	40	0		ECABRO
CC(C)C[N@@H+]1CC2(CCN(S(C)(=O)=O)CC2)[C@]2(CCNC2=O)C1	ZINC000096091168	436511539	/nfs/dbraw/zinc/51/15/39/436511539.db2.gz	JTWGJLDVXHYJML-MRXNPFEDSA-N	1	0	343.493	0.506	40	0		ECABRO
C[NH+](C)CCN1CC2(CCN(C(=O)c3ccccn3)CC2)OCC1=O	ZINC000096201359	436523714	/nfs/dbraw/zinc/52/37/14/436523714.db2.gz	GYGBASYXDVYFGV-UHFFFAOYSA-N	1	0	346.431	0.477	40	0		ECABRO
Cc1cccc(OC[C@]2(C[NH2+]Cc3cnn(C)c3)C[C@@H](O)[C@@H](O)C2)n1	ZINC000107430383	436611844	/nfs/dbraw/zinc/61/18/44/436611844.db2.gz	RCGBTWQCVZJORK-ALXJQNPVSA-N	1	0	346.431	0.794	40	0	biogenic,in-vitro	ECABRO
COCCNC(=S)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCCC1	ZINC000067870754	436727971	/nfs/dbraw/zinc/72/79/71/436727971.db2.gz	GJSLCXKENLEMKZ-HRCADAONSA-N	1	0	340.537	0.903	40	0	biogenic,in-vitro	ECABRO
O=C(NC[C@]1(O)C[N@@H+](Cc2ccccc2)C[C@H]1O)c1cscn1	ZINC000257280276	436862787	/nfs/dbraw/zinc/86/27/87/436862787.db2.gz	OKGYLSBGTSXJMW-ZBFHGGJFSA-N	1	0	333.413	0.481	40	0		ECABRO
O=c1ccn([C@@H]2[C@@H](O)[C@@H](O)C[C@H]2C[NH2+]Cc2ccccc2)c(=O)[nH]1	ZINC000257333280	436872026	/nfs/dbraw/zinc/87/20/26/436872026.db2.gz	YAYCQBBDJVKHNA-SDADXPQNSA-N	1	0	331.372	0.022	40	0		ECABRO
Cn1cc(C[N@H+]2C[C@@H]3Cc4nnc(C(=O)NC5CC5)n4C[C@H]3C2)cn1	ZINC000306127189	437164690	/nfs/dbraw/zinc/16/46/90/437164690.db2.gz	FRDNXLVOVZZFPV-QWHCGFSZSA-N	1	0	341.419	0.208	40	0		ECABRO
CCc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)nc(NC)[nH+]1	ZINC000328985806	437299599	/nfs/dbraw/zinc/29/95/99/437299599.db2.gz	HVNIFBSHLNTVMA-UHFFFAOYSA-N	1	0	347.444	1.291	40	0		ECABRO
C[NH+](C)CCC(=O)N1Cc2ccnn2[C@H](C(=O)N2CCCCO2)C1	ZINC000575405966	438747814	/nfs/dbraw/zinc/74/78/14/438747814.db2.gz	VWDXBOOBONKQPS-AWEZNQCLSA-N	1	0	335.408	0.272	40	0		ECABRO
OCCCN1CC2(C1)C[N@H+](CCc1ccccc1)C[C@H]1C[C@@H](O)CN12	ZINC000514289529	438811593	/nfs/dbraw/zinc/81/15/93/438811593.db2.gz	NGUCWUXQWKNELA-RTBURBONSA-N	1	0	345.487	0.417	40	0	biogenic,in-vitro	ECABRO
Cc1cncc(OC[C@H]2Cc3c(ncn3C)CN2C(=O)C[NH+](C)C)n1	ZINC000585094559	439628339	/nfs/dbraw/zinc/62/83/39/439628339.db2.gz	BBTNJYGGEKXJMA-CYBMUJFWSA-N	1	0	344.419	0.412	40	0		ECABRO
O=C(C1CC[NH2+]CC1)N1CCO[C@@](CO)(Cc2cccc(F)c2)C1	ZINC000585278526	439638664	/nfs/dbraw/zinc/63/86/64/439638664.db2.gz	UERVWVCFIUMWCB-SFHVURJKSA-N	1	0	336.407	0.958	40	0		ECABRO
CSCC[C@H]([NH3+])C(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000585285599	439640626	/nfs/dbraw/zinc/64/06/26/439640626.db2.gz	PJRLPTYFYKVXPF-KCQAQPDRSA-N	1	0	337.445	0.439	40	0		ECABRO
O=C(c1ccc(Cl)cc1)N1CC[C@](O)(C[NH2+]CCCO)[C@@H](O)C1	ZINC000585290981	439642278	/nfs/dbraw/zinc/64/22/78/439642278.db2.gz	YTIASNIIQOUCMT-HOCLYGCPSA-N	1	0	342.823	0.250	40	0		ECABRO
Cn1cnc2c1C[C@@H](COCc1ccccn1)N(C(=O)C[NH+](C)C)C2	ZINC000585094905	439628158	/nfs/dbraw/zinc/62/81/58/439628158.db2.gz	TYPJSJAZMHGBJF-HNNXBMFYSA-N	1	0	343.431	0.847	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)C2(c3ccccc3F)CC2)CC[N@H+](C)C1	ZINC000257267072	536398440	/nfs/dbraw/zinc/39/84/40/536398440.db2.gz	MFWLBCOKOUWDGV-ZDUSSCGKSA-N	1	0	333.407	0.994	40	0		ECABRO
O=C(C[NH2+]CCCN1CCOCC1)NCc1ccc2c(c1)OCO2	ZINC000035311464	213019790	/nfs/dbraw/zinc/01/97/90/213019790.db2.gz	LZMFEGMZOYRNJN-UHFFFAOYSA-N	1	0	335.404	0.343	40	0		ECABRO
C[NH2+]CC(=O)N1CCC(c2ccnc(Nc3cncnc3)n2)CC1	ZINC000072360905	216167096	/nfs/dbraw/zinc/16/70/96/216167096.db2.gz	ZFHGVMCLLQDODL-UHFFFAOYSA-N	1	0	327.392	0.936	40	0		ECABRO
C[NH2+]CC(=O)N1CCC(CCCc2cnccn2)(C(=O)N(C)C)CC1	ZINC000257204686	244130034	/nfs/dbraw/zinc/13/00/34/244130034.db2.gz	AVXAWTPJPSLTAC-UHFFFAOYSA-N	1	0	347.463	0.716	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)Cn2cccn2)C1	ZINC000257216185	244165451	/nfs/dbraw/zinc/16/54/51/244165451.db2.gz	CTMJKNCGXZDROG-SFHVURJKSA-N	1	0	343.431	0.764	40	0		ECABRO
O=C(CCCn1cncn1)N[C@@H]1CCCC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257230770	244213201	/nfs/dbraw/zinc/21/32/01/244213201.db2.gz	GDVPXDMTNPWFGH-BFYDXBDKSA-N	1	0	335.452	0.942	40	0		ECABRO
C[N@@H+]1CCN(Cc2cnc(-c3ccccc3)nc2)C[C@H](C(N)=O)C1	ZINC000257255646	244282587	/nfs/dbraw/zinc/28/25/87/244282587.db2.gz	KIIFXRWOMCAQRO-MRXNPFEDSA-N	1	0	325.416	0.993	40	0		ECABRO
Cc1cc(N2CCOC[C@H](Cc3cccc(C(N)=O)n3)C2)nc(N)[nH+]1	ZINC000257299460	244457830	/nfs/dbraw/zinc/45/78/30/244457830.db2.gz	RQDDXRXIQOWRFZ-GFCCVEGCSA-N	1	0	342.403	0.557	40	0		ECABRO
Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)CCn3cnnn3)C2)[nH+]1	ZINC000257324065	244527983	/nfs/dbraw/zinc/52/79/83/244527983.db2.gz	WMZUXPLALXXLBT-CYBMUJFWSA-N	1	0	329.408	0.849	40	0		ECABRO
CC[N@@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(S(C)(=O)=O)CC[C@@H]12	ZINC000096145339	285381553	/nfs/dbraw/zinc/38/15/53/285381553.db2.gz	QVWCGCJXIVLZBT-GDBMZVCRSA-N	1	0	343.493	0.745	40	0		ECABRO
CO[C@H]1C[N@@H+](C2CCN(S(C)(=O)=O)CC2)CC[C@@]12CCCO2	ZINC000257325230	286072883	/nfs/dbraw/zinc/07/28/83/286072883.db2.gz	WSAAZQCDELUWON-GJZGRUSLSA-N	1	0	332.466	0.680	40	0		ECABRO
COCC[N@@H+]1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12	ZINC000096244591	274033297	/nfs/dbraw/zinc/03/32/97/274033297.db2.gz	CONOFHXBNQURFC-SFHVURJKSA-N	1	0	348.447	0.742	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cc(C)nc3onc(C)c32)CC[N@H+](C)C1	ZINC000257236457	277013725	/nfs/dbraw/zinc/01/37/25/277013725.db2.gz	HCHOTHYYXUSMCS-LBPRGKRZSA-N	1	0	345.403	0.589	40	0		ECABRO
CNC(=O)c1cccc([C@H]2C[N@H+](CC3(O)CCOCC3)CCN2C)c1	ZINC000257294171	277261547	/nfs/dbraw/zinc/26/15/47/277261547.db2.gz	QSWUVSORMOBICR-QGZVFWFLSA-N	1	0	347.459	0.876	40	0		ECABRO
O=C(Cn1cccn1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257250958	295562242	/nfs/dbraw/zinc/56/22/42/295562242.db2.gz	JOTUBDQKDOVJLU-AWEZNQCLSA-N	1	0	328.363	0.578	40	0		ECABRO
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)C(C)C)C(C)C	ZINC000001668495	435962505	/nfs/dbraw/zinc/96/25/05/435962505.db2.gz	LIUXYJCYYMVZRA-AVGNSLFASA-N	1	0	329.441	0.424	40	0		ECABRO
COc1cc(C[NH2+]CCO)cc(Br)c1OCC(N)=O	ZINC000008470002	436028996	/nfs/dbraw/zinc/02/89/96/436028996.db2.gz	WXCMTNJZBYBQMG-UHFFFAOYSA-N	1	0	333.182	0.404	40	0		ECABRO
C[NH+](C)CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1	ZINC000030868468	436221622	/nfs/dbraw/zinc/22/16/22/436221622.db2.gz	MIHYGQOSLYHNRG-LBPRGKRZSA-N	1	0	345.490	0.827	40	0		ECABRO
Cc1ccc(C[NH2+][C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)cc1	ZINC000096111601	436513783	/nfs/dbraw/zinc/51/37/83/436513783.db2.gz	NSZKMZAPSSAVMV-ZACQAIPSSA-N	1	0	349.431	0.255	40	0	biogenic,in-vitro	ECABRO
Cn1cccc1C(=O)N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1	ZINC000096197314	436522092	/nfs/dbraw/zinc/52/20/92/436522092.db2.gz	XYGFQYAEBRYDIW-UHFFFAOYSA-N	1	0	342.447	0.625	40	0		ECABRO
COCCNC(=O)[C@@H]1CCO[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]21	ZINC000096043425	436505037	/nfs/dbraw/zinc/50/50/37/436505037.db2.gz	AWYGTILRAYKIDA-BZUAXINKSA-N	1	0	336.436	0.410	40	0		ECABRO
O=S(=O)(C1CC1)N1CC[N@@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC000096055053	436506876	/nfs/dbraw/zinc/50/68/76/436506876.db2.gz	HSJWUGOIRMKIKJ-CABCVRRESA-N	1	0	337.445	0.849	40	0		ECABRO
CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)c1ccco1)CC2	ZINC000096077134	436510714	/nfs/dbraw/zinc/51/07/14/436510714.db2.gz	HBVUWWYFXXSEIP-UHFFFAOYSA-N	1	0	348.447	0.590	40	0		ECABRO
CS(=O)(=O)N[C@H]1COC2(C1)CC[NH+](Cc1cccnc1)CC2	ZINC000096224814	436525715	/nfs/dbraw/zinc/52/57/15/436525715.db2.gz	IQZSDKDOHJIXQO-CQSZACIVSA-N	1	0	325.434	0.754	40	0		ECABRO
O=C(c1cnccn1)N1CCOC[C@]2(C[C@@H](C[NH+]3CCCC3)CO2)C1	ZINC000096240655	436525876	/nfs/dbraw/zinc/52/58/76/436525876.db2.gz	QJJQJKFLPYREBR-YJBOKZPZSA-N	1	0	346.431	0.820	40	0		ECABRO
Cn1ccc(C(=O)N2CCC[C@]3(C2)COCCN(CC[NH+](C)C)C3)n1	ZINC000096228832	436526705	/nfs/dbraw/zinc/52/67/05/436526705.db2.gz	UTCUXOIVOYNUTH-SFHVURJKSA-N	1	0	349.479	0.536	40	0		ECABRO
Cc1cccnc1CN1CC[C@@H]2OCCN(S(C)(=O)=O)[C@H]2C1	ZINC000108528116	436619730	/nfs/dbraw/zinc/61/97/30/436619730.db2.gz	ZFELPBIWPQRYQQ-GJZGRUSLSA-N	1	0	325.434	0.625	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3cncs3)CC2)OC[C@]1(C)O	ZINC000257341029	436874405	/nfs/dbraw/zinc/87/44/05/436874405.db2.gz	ZINHGYZMVBSDFC-JSGCOSHPSA-N	1	0	325.434	0.877	40	0		ECABRO
O=C(CCn1ccnc1)N1CC[C@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257209706	436859159	/nfs/dbraw/zinc/85/91/59/436859159.db2.gz	BROXNYVHSNRYLM-HNNXBMFYSA-N	1	0	342.390	0.968	40	0		ECABRO
COC(C)(C)C(=O)N1CC[C@H](O)[C@@H]([N@@H+]2CCCN(C)CC2)CC1	ZINC000257278868	436862298	/nfs/dbraw/zinc/86/22/98/436862298.db2.gz	ODZQUCQVLJKIIQ-GJZGRUSLSA-N	1	0	327.469	0.401	40	0		ECABRO
CCOC[C@]1(C[NH3+])[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(C)(=O)=O	ZINC000252514484	436835482	/nfs/dbraw/zinc/83/54/82/436835482.db2.gz	CPFFRSNGZKOVOH-RRFJBIMHSA-N	1	0	327.402	0.907	40	0		ECABRO
CC(C)n1nc2n(c(=O)c1=O)C[C@@]1(CC[N@H+](Cc3ccco3)C1)OC2	ZINC000306144604	437167809	/nfs/dbraw/zinc/16/78/09/437167809.db2.gz	ZJYNCLYLSDYQHS-KRWDZBQOSA-N	1	0	346.387	0.754	40	0		ECABRO
Cc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)cc1C	ZINC000575420475	438748878	/nfs/dbraw/zinc/74/88/78/438748878.db2.gz	BYEKDCWSRCSDAL-CYBMUJFWSA-N	1	0	346.474	0.440	40	0		ECABRO
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3F)C2)C1	ZINC000514289522	438812481	/nfs/dbraw/zinc/81/24/81/438812481.db2.gz	NCZSHOYHVUSLOX-JKSUJKDBSA-N	1	0	333.407	0.677	40	0	biogenic,in-vitro	ECABRO
NC(=O)[C@H]1CN(C(=O)c2cccs2)CC[N@@H+](C2CCOCC2)C1	ZINC000585182323	439636151	/nfs/dbraw/zinc/63/61/51/439636151.db2.gz	KEWZVSGHORRROX-GFCCVEGCSA-N	1	0	337.445	0.786	40	0		ECABRO
CO[C@@H]1CC[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]1CC(=O)N(C)C	ZINC000585275537	439636448	/nfs/dbraw/zinc/63/64/48/439636448.db2.gz	CJSHPMPZEHQLOA-HUUCEWRRSA-N	1	0	335.452	0.858	40	0		ECABRO
C[C@@]1(C(=O)NCCO)CCC[N@@H+]1Cc1ccc(OCCCO)cc1	ZINC000585270558	439637582	/nfs/dbraw/zinc/63/75/82/439637582.db2.gz	ZKTLGWUEEJEREP-SFHVURJKSA-N	1	0	336.432	0.911	40	0		ECABRO
CO[C@@H]1COC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1OC	ZINC000585288356	439641883	/nfs/dbraw/zinc/64/18/83/439641883.db2.gz	XBBRORHFVXKQTM-OAGGEKHMSA-N	1	0	328.453	0.994	40	0		ECABRO
C[C@]1(C(N)=O)C[N@@H+]([C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)CCO1	ZINC000585288832	439642173	/nfs/dbraw/zinc/64/21/73/439642173.db2.gz	JZPLWFHKDPSXJL-BVIKNXMNSA-N	1	0	334.416	0.924	40	0		ECABRO
C[NH+](C)Cc1ccnc([C@H]2CCCN2C(=O)CCN2CCOCC2)n1	ZINC000257245566	536050820	/nfs/dbraw/zinc/05/08/20/536050820.db2.gz	IQDATQMGSGNVHR-MRXNPFEDSA-N	1	0	347.463	0.924	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2cc3nc(C)cc(C)n3n2)CC[N@H+](C)C1	ZINC000257260545	536398874	/nfs/dbraw/zinc/39/88/74/536398874.db2.gz	LDIAZJWHVKBARX-ZDUSSCGKSA-N	1	0	344.419	0.096	40	0		ECABRO
Cc1cc(=O)oc2cc(NC(=O)[C@H]3CCCN3C(=O)C[NH3+])ccc12	ZINC000002579073	545654961	/nfs/dbraw/zinc/65/49/61/545654961.db2.gz	UTDVHCQTKWTQEA-CYBMUJFWSA-N	1	0	329.356	0.990	40	0		ECABRO
CS(=O)(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCSCC1	ZINC000020503864	611360509	/nfs/dbraw/zinc/36/05/09/611360509.db2.gz	IKFBMHSXXCCDSX-MELADBBJSA-N	1	0	333.523	0.295	40	0	biogenic,in-vitro	ECABRO
Cc1nccn1CC(=O)N1C[C@@H](O)[C@H]([N@@H+]2CCc3ccccc3C2)C1	ZINC000257301734	282202556	/nfs/dbraw/zinc/20/25/56/282202556.db2.gz	RZSSHMNVEQNPHK-QZTJIDSGSA-N	1	0	340.427	0.822	40	0		ECABRO
COC[C@@H]1CN(C(=O)CNC(C)=O)CC[N@H+](CCc2ccccc2)C1	ZINC000072354513	216164802	/nfs/dbraw/zinc/16/48/02/216164802.db2.gz	JZRNWDDLNLLEQL-SFHVURJKSA-N	1	0	347.459	0.772	40	0		ECABRO
CN(CC(=O)NCCC[NH+]1CCCC1)S(=O)(=O)c1ccccc1	ZINC000073573508	216397723	/nfs/dbraw/zinc/39/77/23/216397723.db2.gz	RZLVKIRENKWXIO-UHFFFAOYSA-N	1	0	339.461	0.909	40	0		ECABRO
CCOc1ccc(S(=O)(=O)NCCN2CC[NH+](C)CC2)cc1	ZINC000022912855	212333350	/nfs/dbraw/zinc/33/33/50/212333350.db2.gz	XMAWVFCLOVKVIA-UHFFFAOYSA-N	1	0	327.450	0.611	40	0		ECABRO
C[NH+]1CCN(CCCNC(=O)CN2C(=O)COc3ccccc32)CC1	ZINC000020688206	212162596	/nfs/dbraw/zinc/16/25/96/212162596.db2.gz	SMHJPZYZKIKRCD-UHFFFAOYSA-N	1	0	346.431	0.166	40	0		ECABRO
O=C(Cn1nnc2ccccc21)N1CC[C@@](O)(C[NH+]2CCCC2)C1	ZINC000257201918	244122484	/nfs/dbraw/zinc/12/24/84/244122484.db2.gz	AJQDMEDEBUWBCV-QGZVFWFLSA-N	1	0	329.404	0.491	40	0		ECABRO
C[NH+](C)C[C@@]1(O)CCCN(C(=O)CNC(=O)c2ccccc2)CC1	ZINC000257204369	244129372	/nfs/dbraw/zinc/12/93/72/244129372.db2.gz	AUGGWPDLMJZHQN-GOSISDBHSA-N	1	0	333.432	0.722	40	0		ECABRO
CCc1nc(C)c(CN2CC[N@@H+](C3CCOCC3)C[C@H](C(N)=O)C2)[nH]1	ZINC000257216329	244166541	/nfs/dbraw/zinc/16/65/41/244166541.db2.gz	CUBDARRWSZNABH-CQSZACIVSA-N	1	0	349.479	0.679	40	0		ECABRO
COc1ccc(C2(C(=O)N3CC[N@H+](C)C[C@@H](C(N)=O)C3)CC2)cc1	ZINC000257231729	244216314	/nfs/dbraw/zinc/21/63/14/244216314.db2.gz	GHYWZOFHKFYSSZ-CYBMUJFWSA-N	1	0	331.416	0.602	40	0		ECABRO
[NH3+][C@@H]1C[C@H](n2cnc3c2ncnc3Nc2ccccc2)[C@H](O)[C@@H]1O	ZINC000257238024	244236554	/nfs/dbraw/zinc/23/65/54/244236554.db2.gz	HJHAXAMDOGJAKT-WVWOOGAGSA-N	1	0	326.360	0.564	40	0		ECABRO
Cc1ccc(C[N@@H+]2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)s1	ZINC000257308384	244484064	/nfs/dbraw/zinc/48/40/64/244484064.db2.gz	TWNLSNUKIWCIMM-LLVKDONJSA-N	1	0	331.463	0.235	40	0		ECABRO
C[NH+](C)CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1	ZINC000012199418	211318479	/nfs/dbraw/zinc/31/84/79/211318479.db2.gz	RVHOTSZBVXUBLM-UHFFFAOYSA-N	1	0	325.390	0.180	40	0		ECABRO
CN1CCN(c2ncc3c(ccn(CCC[NH+](C)C)c3=O)n2)CC1	ZINC000009290421	211061665	/nfs/dbraw/zinc/06/16/65/211061665.db2.gz	HSIABHYFMYJTQD-UHFFFAOYSA-N	1	0	330.436	0.495	40	0		ECABRO
CN1CCN(Cc2cccnc2)C(=O)C12CC[NH+]([C@@H]1CCOC1)CC2	ZINC000096230135	277109398	/nfs/dbraw/zinc/10/93/98/277109398.db2.gz	IOHBUCPDHJUXGN-QGZVFWFLSA-N	1	0	344.459	0.979	40	0		ECABRO
C[NH+](C)CCOC[C@H]1Cn2nccc2CN(C(=O)c2cnccn2)C1	ZINC000096188981	289170820	/nfs/dbraw/zinc/17/08/20/289170820.db2.gz	WDVSQDWVTSZAOJ-CQSZACIVSA-N	1	0	344.419	0.524	40	0		ECABRO
C[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)c3ccnnc3)CC[C@@H]21	ZINC000096185677	436519305	/nfs/dbraw/zinc/51/93/05/436519305.db2.gz	UHMACSPTAMNWRP-PMPSAXMXSA-N	1	0	326.404	0.908	40	0		ECABRO
O=C(C[C@]12COC[C@H]1C[N@H+](Cc1ccccn1)C2)N1CCOCC1	ZINC000096206910	436523208	/nfs/dbraw/zinc/52/32/08/436523208.db2.gz	LETWCDKFYZSAFH-QAPCUYQASA-N	1	0	331.416	0.779	40	0		ECABRO
C[NH+](C)CCN1CCOC[C@]2(CN(Cc3nccs3)CCO2)C1	ZINC000096049775	436506193	/nfs/dbraw/zinc/50/61/93/436506193.db2.gz	HBFOALUOMROWGV-MRXNPFEDSA-N	1	0	340.493	0.608	40	0		ECABRO
Cn1cc(N2C[C@@]3(CC[N@H+](Cc4ccoc4)C3)N(C)CC2=O)cn1	ZINC000096050341	436506520	/nfs/dbraw/zinc/50/65/20/436506520.db2.gz	FMYIHNHFCMIZPF-KRWDZBQOSA-N	1	0	329.404	0.936	40	0		ECABRO
CN1CC[NH+](C[C@H]2OC[C@@H]3CCN(C(=O)c4ccccn4)C[C@@H]32)CC1	ZINC000096056265	436506887	/nfs/dbraw/zinc/50/68/87/436506887.db2.gz	SOPJVULZDGDLOF-XYJFISCASA-N	1	0	344.459	0.806	40	0		ECABRO
O=c1cc(Cn2cncn2)nc2n1CCC[N@@H+](CC1CCOCC1)C2	ZINC000096059632	436509150	/nfs/dbraw/zinc/50/91/50/436509150.db2.gz	YJWCMMPFKUDYMN-UHFFFAOYSA-N	1	0	344.419	0.515	40	0		ECABRO
COCC(=O)NC[C@]12COC[C@H]1C[N@H+](Cc1ccc3c(c1)OCO3)C2	ZINC000096108397	436512882	/nfs/dbraw/zinc/51/28/82/436512882.db2.gz	FPIBDAKZEUODIS-KDOFPFPSSA-N	1	0	348.399	0.626	40	0		ECABRO
[NH3+][C@@H]1CCN(c2nccn3c(=O)n(Cc4ccccc4F)nc23)C1	ZINC000096530690	436534585	/nfs/dbraw/zinc/53/45/85/436534585.db2.gz	FIOLBRKZVHZYTE-GFCCVEGCSA-N	1	0	328.351	0.616	40	0		ECABRO
CN(C)C(=O)[C@H]1CN(c2ncccn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257250794	436862271	/nfs/dbraw/zinc/86/22/71/436862271.db2.gz	JOAJLPCFXKVKLU-CQSZACIVSA-N	1	0	333.436	0.482	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)nc2)CC[N@H+](C)C1	ZINC000257290985	436864768	/nfs/dbraw/zinc/86/47/68/436864768.db2.gz	QFCOBIJSJJWUTR-CQSZACIVSA-N	1	0	342.403	0.017	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)CC[N@H+](C)C1	ZINC000257301703	436866302	/nfs/dbraw/zinc/86/63/02/436866302.db2.gz	RZMXQUHUDCKQSI-LBPRGKRZSA-N	1	0	325.359	0.644	40	0		ECABRO
CN(C[C@]1(O)CCN(c2cnccn2)C1)C(=O)C[NH+]1CCCCC1	ZINC000257304439	436866671	/nfs/dbraw/zinc/86/66/71/436866671.db2.gz	SLQSRYGOQBSDHP-QGZVFWFLSA-N	1	0	333.436	0.362	40	0		ECABRO
CCOc1ccc(CNC(=O)C(=O)NCCCN2CCOCC2)cc1	ZINC000298129775	437027940	/nfs/dbraw/zinc/02/79/40/437027940.db2.gz	XSPIKYXPRSRKHR-UHFFFAOYSA-N	1	0	349.431	0.540	40	0		ECABRO
C[C@@H]1C[N@H+](Cc2nccs2)C[C@]12CCN(CC(=O)N(C)C)C2=O	ZINC000306125752	437165213	/nfs/dbraw/zinc/16/52/13/437165213.db2.gz	DBENZVSJTSBAHE-MLGOLLRUSA-N	1	0	336.461	0.902	40	0		ECABRO
O=C(NC1CC1)c1nnc2n1C[C@@H]1C[N@@H+](Cc3nccs3)C[C@H]1C2	ZINC000306135628	437167784	/nfs/dbraw/zinc/16/77/84/437167784.db2.gz	OWGZBYWLXFWLMT-MNOVXSKESA-N	1	0	344.444	0.931	40	0		ECABRO
Cc1nc(Cn2nc3n(c(=O)c2=O)CC[C@@]32CC[N@@H+](C)C2)cs1	ZINC000306140950	437168149	/nfs/dbraw/zinc/16/81/49/437168149.db2.gz	VHMLEAXJHLYCJE-OAHLLOKOSA-N	1	0	333.417	0.195	40	0		ECABRO
CC(C)[C@@H](CO)Nc1nc(NCCN2CCOCC2)cc(C2CC2)[nH+]1	ZINC000329040201	437307594	/nfs/dbraw/zinc/30/75/94/437307594.db2.gz	SBFKFDSFQFROJD-MRXNPFEDSA-N	1	0	349.479	1.527	40	0		ECABRO
CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)N2CC[NH2+]CC2)C1	ZINC000575624282	438752228	/nfs/dbraw/zinc/75/22/28/438752228.db2.gz	WVPFDOPMVFQEDY-MRXNPFEDSA-N	1	0	327.425	0.570	40	0		ECABRO
COCC(=O)N1C[C@@H]2COCCN2C2(C[NH+](CCC(C)C)C2)C1	ZINC000604381761	439311372	/nfs/dbraw/zinc/31/13/72/439311372.db2.gz	NIJVYGSSWWVVRN-OAHLLOKOSA-N	1	0	325.453	0.276	40	0	biogenic,in-vitro	ECABRO
C[N@@H+]1C[C@H](COCc2cccnc2)CC12CN(C(=O)C1CC(O)C1)C2	ZINC000585093955	439628426	/nfs/dbraw/zinc/62/84/26/439628426.db2.gz	SIRLUGOSTMZEHA-KLAILNCOSA-N	1	0	345.443	0.902	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCn2cnc3ccccc32)CC[N@H+](C)C1	ZINC000585182335	439636078	/nfs/dbraw/zinc/63/60/78/439636078.db2.gz	PVOUQJVAMACBCB-AWEZNQCLSA-N	1	0	343.431	0.563	40	0		ECABRO
CN(C)CC[NH2+]C[C@@]1(O)CCN(C(=O)CCc2ccccc2)C[C@@H]1O	ZINC000585289110	439642294	/nfs/dbraw/zinc/64/22/94/439642294.db2.gz	DYJOXRQSUFESBF-HKUYNNGSSA-N	1	0	349.475	0.095	40	0		ECABRO
Cn1cnc2c1C[C@@H](COCc1ccncc1)N(C(=O)C[NH+](C)C)C2	ZINC000585094723	439627441	/nfs/dbraw/zinc/62/74/41/439627441.db2.gz	JHFLNKQNHJUFFH-HNNXBMFYSA-N	1	0	343.431	0.847	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)Cn2c(C)nc3ccccc32)CC[N@H+](C)C1	ZINC000257206621	536399065	/nfs/dbraw/zinc/39/90/65/536399065.db2.gz	BEGQJZYHYXELFL-AWEZNQCLSA-N	1	0	343.431	0.481	40	0		ECABRO
COc1cc(C[NH2+]CCCO)c(Br)cc1OCC(N)=O	ZINC000036612915	213101469	/nfs/dbraw/zinc/10/14/69/213101469.db2.gz	AOXIMMXCTQOGNF-UHFFFAOYSA-N	1	0	347.209	0.794	40	0		ECABRO
CC1(C)O[C@H]2O[C@H](CN3CC[NH2+][C@@H](c4ccccc4)C3)[C@H](O)[C@H]2O1	ZINC000022115789	212277888	/nfs/dbraw/zinc/27/78/88/212277888.db2.gz	BSMLOGYQCJGNEB-NQNKBUKLSA-N	1	0	334.416	0.870	40	0		ECABRO
Cc1nccc(N2CC[N@@H+](C3CCOCC3)C[C@@H](C(=O)N(C)C)C2)n1	ZINC000257206508	244135283	/nfs/dbraw/zinc/13/52/83/244135283.db2.gz	BDUJYNNUGOJOJC-OAHLLOKOSA-N	1	0	347.463	0.790	40	0		ECABRO
COc1cccc(O[C@@H]2C[C@@H](NC(N)=O)[C@H]([NH+]3CCCC3)[C@H]2O)c1	ZINC000257203262	244125808	/nfs/dbraw/zinc/12/58/08/244125808.db2.gz	APGLUANJBHOBDS-WCVJEAGWSA-N	1	0	335.404	0.709	40	0		ECABRO
C[C@@]1(O)COCC2(CC[NH2+]CC2)C[C@H]1n1cnc2c1ncnc2N	ZINC000257203605	244128539	/nfs/dbraw/zinc/12/85/39/244128539.db2.gz	AQVNCRQEZWCYHC-IAQYHMDHSA-N	1	0	332.408	0.491	40	0		ECABRO
CCc1nc(C)c(C[N@@H+]2CC[C@H](O)[C@@H](n3ccc(=O)[nH]c3=O)CC2)[nH]1	ZINC000257218088	244173191	/nfs/dbraw/zinc/17/31/91/244173191.db2.gz	DBVFBNNFUZAENR-KBPBESRZSA-N	1	0	347.419	0.741	40	0		ECABRO
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)Cn2ccnc2)C1	ZINC000257215992	244166647	/nfs/dbraw/zinc/16/66/47/244166647.db2.gz	CSPCMZSHWSPJQQ-GOSISDBHSA-N	1	0	343.431	0.764	40	0		ECABRO
Cc1ccsc1C[N@@H+]1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	ZINC000257225084	244196995	/nfs/dbraw/zinc/19/69/95/244196995.db2.gz	FETDJYPUJZBHHT-LLVKDONJSA-N	1	0	331.463	0.235	40	0		ECABRO
COCCN1C[C@@H](c2cc(N(C)C)nc(C3CC[NH2+]CC3)n2)CC1=O	ZINC000257237714	244231677	/nfs/dbraw/zinc/23/16/77/244231677.db2.gz	HHVKCHRWTJQGCL-AWEZNQCLSA-N	1	0	347.463	0.972	40	0		ECABRO
CN(C)S(=O)(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnn(C)c1	ZINC000019748923	212062430	/nfs/dbraw/zinc/06/24/30/212062430.db2.gz	CIBFDIFEPAIRFF-CQSZACIVSA-N	1	0	329.470	0.561	40	0		ECABRO
CNc1nc([C@H]2CCC[NH2+]2)nc2c1CN(CC(=O)N1CCCC1)CC2	ZINC000019711547	212057658	/nfs/dbraw/zinc/05/76/58/212057658.db2.gz	NORXZXSSBGVILI-OAHLLOKOSA-N	1	0	344.463	0.923	40	0		ECABRO
COCCNC(=O)C[C@@H]1COC[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21	ZINC000096040833	218523672	/nfs/dbraw/zinc/52/36/72/218523672.db2.gz	ZJLQNJGCDMNNHB-ZACQAIPSSA-N	1	0	333.432	0.929	40	0		ECABRO
COCCc1ccc(OC[C@@H](O)COC[C@H](O)C[NH2+]C(C)C)cc1	ZINC000065742921	258012178	/nfs/dbraw/zinc/01/21/78/258012178.db2.gz	SETHZMZYJZUIRG-SJORKVTESA-N	1	0	341.448	0.991	40	0	in-vitro	ECABRO
CC(=O)NC1CC[NH+](C[C@@]2(O)CCN(C(=O)c3cccn3C)C2)CC1	ZINC000257309376	275478475	/nfs/dbraw/zinc/47/84/75/275478475.db2.gz	UARSTTGFNAHRCF-SFHVURJKSA-N	1	0	348.447	0.203	40	0		ECABRO
CC(C)(CNC(N)=O)[NH2+]C[C@H](O)COC(=O)c1ccccc1F	ZINC000002017624	435960669	/nfs/dbraw/zinc/96/06/69/435960669.db2.gz	ZPLOQFLCMVIWRY-JTQLQIEISA-N	1	0	327.356	0.380	40	0	in-man	ECABRO
COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCC(N)=O	ZINC000022075765	436117538	/nfs/dbraw/zinc/11/75/38/436117538.db2.gz	GTYDLVVASGVAEK-SNVBAGLBSA-N	1	0	345.827	0.273	40	0		ECABRO
CN1c2ccccc2[C@@]2(NC(=[NH2+])Nc3nc(=O)c4ccccc4n32)C1=O	ZINC000039921224	436262727	/nfs/dbraw/zinc/26/27/27/436262727.db2.gz	KXHIHKJYAPKVHK-SFHVURJKSA-N	1	0	346.350	0.814	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2C[C@H]3C[N@H+](Cc4ccccn4)C[C@H]3C2)c1	ZINC000096161600	436517206	/nfs/dbraw/zinc/51/72/06/436517206.db2.gz	KANJOHUOCBPIEU-OKILXGFUSA-N	1	0	347.444	0.568	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3C)C2)c1	ZINC000096185555	436520114	/nfs/dbraw/zinc/52/01/14/436520114.db2.gz	AORAOAYPBFAFKO-RDBSUJKOSA-N	1	0	341.481	0.065	40	0		ECABRO
CN(C)C(=O)COC[C@@H]1Cn2nccc2CN(CC[NH+]2CCCC2)C1	ZINC000096189078	436521136	/nfs/dbraw/zinc/52/11/36/436521136.db2.gz	JZPACRUQNYXMFD-INIZCTEOSA-N	1	0	349.479	0.516	40	0		ECABRO
Cc1noc(C)c1C[N@@H+]1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1	ZINC000096206853	436522417	/nfs/dbraw/zinc/52/24/17/436522417.db2.gz	YJPPNTYSDVZSBB-OCCSQVGLSA-N	1	0	329.422	0.289	40	0		ECABRO
Cn1cc(C(=O)N[C@@H]2C[N@H+](CC3CCOCC3)[C@@H]3CCCO[C@H]23)cn1	ZINC000096056346	436506671	/nfs/dbraw/zinc/50/66/71/436506671.db2.gz	JLLYPZIJNNHDNW-BRWVUGGUSA-N	1	0	348.447	0.808	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096047820	436507280	/nfs/dbraw/zinc/50/72/80/436507280.db2.gz	WBNBOPDUODZNNV-HNNXBMFYSA-N	1	0	336.436	0.648	40	0		ECABRO
O=C([C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2ccncc2)C1)N1CCOCC1	ZINC000096064919	436508049	/nfs/dbraw/zinc/50/80/49/436508049.db2.gz	NVEQPSPVGJRPJC-BRWVUGGUSA-N	1	0	331.416	0.920	40	0		ECABRO
Cn1cc(C[NH+]2CCC3(CC2)NC(=O)C[C@@H]3c2cnn(C)c2)cn1	ZINC000096061487	436508536	/nfs/dbraw/zinc/50/85/36/436508536.db2.gz	XZWASRKUHWUQSW-OAHLLOKOSA-N	1	0	328.420	0.792	40	0		ECABRO
CN(C)C(=O)CO[C@@H]1COC2(C1)CC[NH+](Cc1ccn(C)n1)CC2	ZINC000096073134	436510548	/nfs/dbraw/zinc/51/05/48/436510548.db2.gz	UPTKCRMRINWIPE-HNNXBMFYSA-N	1	0	336.436	0.648	40	0		ECABRO
Cn1cccc1C(=O)N1C[C@H]2CN(CC[NH+]3CCCC3)C(=O)[C@H]2C1	ZINC000096245059	436527156	/nfs/dbraw/zinc/52/71/56/436527156.db2.gz	QFPASIXRWAOKQS-CABCVRRESA-N	1	0	330.432	0.651	40	0		ECABRO
COCCN1CCO[C@H]2CCN(C(=O)c3snnc3C)C[C@@H]21	ZINC000108530202	436618357	/nfs/dbraw/zinc/61/83/57/436618357.db2.gz	CBJXQPPULDQGGP-RYUDHWBXSA-N	1	0	326.422	0.408	40	0		ECABRO
O=C(C[NH+]1CCCCCC1)N1CC[C@](O)(CN2CCOCC2)C1	ZINC000257306195	436867879	/nfs/dbraw/zinc/86/78/79/436867879.db2.gz	STGIXIQFXHXQLW-KRWDZBQOSA-N	1	0	325.453	0.158	40	0		ECABRO
C[NH+](C)CCNc1cccc(C[C@@H]2CCN(S(C)(=O)=O)C2)n1	ZINC000257308320	436867973	/nfs/dbraw/zinc/86/79/73/436867973.db2.gz	TWHSBPFAAISMOA-ZDUSSCGKSA-N	1	0	326.466	0.879	40	0		ECABRO
Cc1cc(N2CC[C@](O)(CN(C)C(=O)C[NH+]3CCCCC3)C2)ncn1	ZINC000257306702	436868791	/nfs/dbraw/zinc/86/87/91/436868791.db2.gz	SVLKDNYKEGOWBW-SFHVURJKSA-N	1	0	347.463	0.671	40	0		ECABRO
COc1cccc(S(=O)(=O)N2CC[C@](O)(C[NH+]3CCCC3)C2)c1	ZINC000257306543	436868890	/nfs/dbraw/zinc/86/88/90/436868890.db2.gz	SURUDXNCSOIGEP-INIZCTEOSA-N	1	0	340.445	0.917	40	0		ECABRO
Cn1nc(C(=O)N2C[C@@H](O)[C@H]([NH+]3CCCC3)C2)cc1C(F)(F)F	ZINC000257321652	436870348	/nfs/dbraw/zinc/87/03/48/436870348.db2.gz	WCOUCQFWCZNYOR-GHMZBOCLSA-N	1	0	332.326	0.720	40	0		ECABRO
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CC[N@H+](Cc2ccc(C)s2)C1	ZINC000257332141	436873443	/nfs/dbraw/zinc/87/34/43/436873443.db2.gz	XVXOAYWECGQPPQ-LBPRGKRZSA-N	1	0	345.490	0.496	40	0		ECABRO
CC(C)NC(=O)C1(CCCc2cnccn2)CCN(C(=O)C[NH3+])CC1	ZINC000257342168	436875421	/nfs/dbraw/zinc/87/54/21/436875421.db2.gz	ZNKDHITZYVPLTG-UHFFFAOYSA-N	1	0	347.463	0.891	40	0		ECABRO
Cc1csc(C[NH+]2CCC3(CCn4c3nn(C)c(=O)c4=O)CC2)n1	ZINC000306127611	437164376	/nfs/dbraw/zinc/16/43/76/437164376.db2.gz	GDNJCHCBYRHPCU-UHFFFAOYSA-N	1	0	347.444	0.644	40	0		ECABRO
CC(C)n1nc2n(c(=O)c1=O)C[C@]1(CC[N@H+](Cc3ccco3)C1)OC2	ZINC000306144605	437168555	/nfs/dbraw/zinc/16/85/55/437168555.db2.gz	ZJYNCLYLSDYQHS-QGZVFWFLSA-N	1	0	346.387	0.754	40	0		ECABRO
OCCNc1nc(NCCC2CC[NH2+]CC2)cc(C(F)(F)F)n1	ZINC000329008999	437302860	/nfs/dbraw/zinc/30/28/60/437302860.db2.gz	LUJOLXQQZIFUQQ-UHFFFAOYSA-N	1	0	333.358	0.545	40	0		ECABRO
Cc1cncc(O[C@@H]2CCOC3(CN(C(=O)CC[NH+](C)C)C3)C2)n1	ZINC000575403579	438747656	/nfs/dbraw/zinc/74/76/56/438747656.db2.gz	IXZOVKOPTFFYRG-CQSZACIVSA-N	1	0	334.420	0.876	40	0		ECABRO
Cc1ccc(C)c(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)c1	ZINC000575420857	438748187	/nfs/dbraw/zinc/74/81/87/438748187.db2.gz	FSEFGODCFCXRRH-CYBMUJFWSA-N	1	0	346.474	0.440	40	0		ECABRO
Cc1ccc(S(=O)(=O)N(CC[NH3+])[C@@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575424378	438749708	/nfs/dbraw/zinc/74/97/08/438749708.db2.gz	KTZQQNUHPQARAN-CYBMUJFWSA-N	1	0	346.474	0.440	40	0		ECABRO
CC(=O)N1CCC([N@@H+]2C[C@@H]3[C@H](C2)Oc2ncccc2C(=O)N3C)CC1	ZINC000514289688	438812450	/nfs/dbraw/zinc/81/24/50/438812450.db2.gz	NMIPRCZDTNIHHB-CVEARBPZSA-N	1	0	344.415	0.610	40	0	biogenic,in-vitro	ECABRO
O=C(C1CC[NH2+]CC1)N1CCO[C@](CO)(Cc2ccccc2F)C1	ZINC000585275864	439636602	/nfs/dbraw/zinc/63/66/02/439636602.db2.gz	AMPBLBLWPKVESA-GOSISDBHSA-N	1	0	336.407	0.958	40	0		ECABRO
Cc1cc(C)n2ncc(C[N@@H+]3C[C@H](O)[C@@H](CC(=O)N(C)C)C3)c2n1	ZINC000585279829	439638500	/nfs/dbraw/zinc/63/85/00/439638500.db2.gz	ZJWYEGLLFLEJIR-ZFWWWQNUSA-N	1	0	331.420	0.617	40	0		ECABRO
CC(=O)N(C)[C@@H]1CC[C@@H](C(=O)NCC2([NH+](C)C)CCCC2)[C@@H]1O	ZINC000585280185	439639315	/nfs/dbraw/zinc/63/93/15/439639315.db2.gz	CBLKBTPFZLZANJ-KFWWJZLASA-N	1	0	325.453	0.595	40	0		ECABRO
O=C(/C=C/CN1CCOCC1)N[C@@H]1CCC[C@@H](n2ccnc2)[C@@H]1O	ZINC000585292116	439641411	/nfs/dbraw/zinc/64/14/11/439641411.db2.gz	XXIOLZMFULUKBO-KMKLVWSPSA-N	1	0	334.420	0.342	40	0		ECABRO
C[C@H]([NH3+])C(=O)NC1CCN(C(=O)CCn2ccc3ccncc32)CC1	ZINC000012144253	524819444	/nfs/dbraw/zinc/81/94/44/524819444.db2.gz	WCXOOIKAGWRFDY-ZDUSSCGKSA-N	1	0	343.431	0.881	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccc3ncccc3c2)CC[N@H+](C)C1	ZINC000257260224	536398949	/nfs/dbraw/zinc/39/89/49/536398949.db2.gz	LBWIZHXLSXCZSA-HNNXBMFYSA-N	1	0	326.400	0.985	40	0		ECABRO
CN(c1ccc(OCC(=O)NCCC[NH+](C)C)cc1)S(C)(=O)=O	ZINC000225243209	564045501	/nfs/dbraw/zinc/04/55/01/564045501.db2.gz	KVAXFXTXASULPZ-UHFFFAOYSA-N	1	0	343.449	0.529	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(C(=O)c1ccncc1)C2	ZINC000096068818	282108702	/nfs/dbraw/zinc/10/87/02/282108702.db2.gz	UFBXACUJBVRQPJ-AWEZNQCLSA-N	1	0	344.419	0.528	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(Cc2cnn(C)c2)CC[N@@H+](C2CCOCC2)C1	ZINC000257212504	244152869	/nfs/dbraw/zinc/15/28/69/244152869.db2.gz	CDSLTMODYQYNTR-MRXNPFEDSA-N	1	0	349.479	0.421	40	0		ECABRO
CNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)C1	ZINC000257241250	244244779	/nfs/dbraw/zinc/24/47/79/244244779.db2.gz	HXHZUWYCQMLQRZ-CQSZACIVSA-N	1	0	341.415	0.929	40	0		ECABRO
CNC(=O)[C@@H]1CN(Cc2cc(C)on2)CC[N@@H+](C2CCOCC2)C1	ZINC000257252619	244272667	/nfs/dbraw/zinc/27/26/67/244272667.db2.gz	JVLUAHMYHCFJLI-CQSZACIVSA-N	1	0	336.436	0.642	40	0		ECABRO
[NH3+][C@@H]1C[C@H](n2cnc3c2ncnc3NCc2ccccc2)[C@H](O)[C@@H]1O	ZINC000257254059	244274619	/nfs/dbraw/zinc/27/46/19/244274619.db2.gz	KBJNUVACHPTIJD-OSRDXIQISA-N	1	0	340.387	0.432	40	0		ECABRO
C[C@H](c1ccccc1)n1cc(C(=O)NCCN2CC[NH+](C)CC2)nn1	ZINC000020027273	212094764	/nfs/dbraw/zinc/09/47/64/212094764.db2.gz	XKDBXFQHAQTQAS-OAHLLOKOSA-N	1	0	342.447	0.865	40	0		ECABRO
Cn1ccnc1CN[C@H]1CO[C@@H](C[NH+]2CCC(F)(F)CC2)[C@@H]1O	ZINC000514288896	257846940	/nfs/dbraw/zinc/84/69/40/257846940.db2.gz	JJPURFIDSYWSQH-SGMGOOAPSA-N	1	0	330.379	0.369	40	0	biogenic,in-vitro	ECABRO
O=C([C@@H]1CCOC1)N1CCC[C@@]2(CCN(CC[NH+]3CCCC3)C2=O)C1	ZINC000096224264	304354080	/nfs/dbraw/zinc/35/40/80/304354080.db2.gz	ZFAHRDOLYBLJPI-VQIMIIECSA-N	1	0	349.475	0.960	40	0		ECABRO
CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@@H]3CCOC3)C2)CC1	ZINC000096188536	290045946	/nfs/dbraw/zinc/04/59/46/290045946.db2.gz	GLEVNPSKTIISFW-IRXDYDNUSA-N	1	0	333.480	0.599	40	0		ECABRO
Cc1nn(C)cc1C[NH+]1CCC(O)(Cn2nc(C)ccc2=O)CC1	ZINC000019131390	436105700	/nfs/dbraw/zinc/10/57/00/436105700.db2.gz	VDRUPSUJXRVDLF-UHFFFAOYSA-N	1	0	331.420	0.621	40	0		ECABRO
COc1ccc(N([C@@H](C)C(=O)NCC[NH+](C)C)S(C)(=O)=O)cc1	ZINC000013668566	436065706	/nfs/dbraw/zinc/06/57/06/436065706.db2.gz	PUYGGJFPJMBWQK-LBPRGKRZSA-N	1	0	343.449	0.528	40	0		ECABRO
C[NH+](C)CCCNC(=O)CN(c1ccc(F)c(F)c1)S(C)(=O)=O	ZINC000013670695	436066159	/nfs/dbraw/zinc/06/61/59/436066159.db2.gz	UFOZPPUQIFKECB-UHFFFAOYSA-N	1	0	349.403	0.799	40	0		ECABRO
OCCN1CC[NH+](C[C@@H](O)COCC[C@H]2C[C@H]3CC[C@@H]2C3)CC1	ZINC000041690383	436282013	/nfs/dbraw/zinc/28/20/13/436282013.db2.gz	QUSNKRWGCRABRJ-XWTMOSNGSA-N	1	0	326.481	0.800	40	0		ECABRO
Cn1cnc(S(=O)(=O)N2CCc3c(C[NH+](C)C)cncc3C2)c1	ZINC000096189454	436521845	/nfs/dbraw/zinc/52/18/45/436521845.db2.gz	DLTQVHUBDWCYRK-UHFFFAOYSA-N	1	0	335.433	0.624	40	0		ECABRO
C[NH+](C)CCN1CCN(C(=O)N2CCOCC2)Cc2cccnc21	ZINC000096198842	436521918	/nfs/dbraw/zinc/52/19/18/436521918.db2.gz	AZAAPBRBPCJYED-UHFFFAOYSA-N	1	0	333.436	0.717	40	0		ECABRO
O=C(c1ccnnc1)N1C[C@H](OCC[NH+]2CCCC2)[C@H]2OCCC[C@H]21	ZINC000096100059	436511717	/nfs/dbraw/zinc/51/17/17/436511717.db2.gz	JNHHMNANDQRSOG-IKGGRYGDSA-N	1	0	346.431	0.961	40	0		ECABRO
CC(C)NC(=O)[C@@H]1Cn2ccnc2C2(CC[NH+]([C@@H]3CCOC3)CC2)O1	ZINC000096243667	436525852	/nfs/dbraw/zinc/52/58/52/436525852.db2.gz	QICGVQNMWBMJQI-CABCVRRESA-N	1	0	348.447	0.887	40	0		ECABRO
Cc1noc(C)c1CN1C[C@@H](NC(=O)c2cnccn2)[C@H]2COC[C@H]21	ZINC000107201425	436608758	/nfs/dbraw/zinc/60/87/58/436608758.db2.gz	NASQQOJMAPYNAM-FVQBIDKESA-N	1	0	343.387	0.711	40	0		ECABRO
O[C@@H]1C[C@@](C[NH2+]Cc2nccs2)(COc2cnccn2)C[C@@H]1O	ZINC000107430559	436611533	/nfs/dbraw/zinc/61/15/33/436611533.db2.gz	LQWGYNWDFXTRSE-JJLQDPRZSA-N	1	0	336.417	0.604	40	0	biogenic,in-vitro	ECABRO
CN(c1ccc(OCC(=O)NCC[NH+](C)C)cc1)S(C)(=O)=O	ZINC000222989008	436704287	/nfs/dbraw/zinc/70/42/87/436704287.db2.gz	PNWLJDJTIHJUQD-UHFFFAOYSA-N	1	0	329.422	0.139	40	0		ECABRO
O=C(c1ccc(-n2cccn2)nc1)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1	ZINC000257222150	436858896	/nfs/dbraw/zinc/85/88/96/436858896.db2.gz	DSDKYLWCDCGOGZ-HUUCEWRRSA-N	1	0	327.388	0.548	40	0		ECABRO
Cc1cccnc1C[N@@H+]1CC[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(O)C1	ZINC000257222878	436858961	/nfs/dbraw/zinc/85/89/61/436858961.db2.gz	DUYRIGOFYMMZKO-RHSMWYFYSA-N	1	0	330.388	0.850	40	0		ECABRO
CNC(=O)[C@@]1(C)CN(C(=O)CC[N@H+](C)Cc2cccnc2)CCO1	ZINC000257294703	436864289	/nfs/dbraw/zinc/86/42/89/436864289.db2.gz	QVHXMZIULKLXOB-QGZVFWFLSA-N	1	0	334.420	0.267	40	0		ECABRO
CC(=O)N1CC2(C[C@]1(C)CO)CC[NH+](CC(=O)N1CCCC1)CC2	ZINC000257308358	436867581	/nfs/dbraw/zinc/86/75/81/436867581.db2.gz	TWLDEZKUIRQATA-QGZVFWFLSA-N	1	0	337.464	0.694	40	0		ECABRO
CN(C[C@]1(O)CCN(c2ncccn2)C1)C(=O)C[N@H+](C)C1CCCC1	ZINC000257308576	436867680	/nfs/dbraw/zinc/86/76/80/436867680.db2.gz	TXGTYKBWXQMCJB-GOSISDBHSA-N	1	0	347.463	0.751	40	0		ECABRO
CN(C)C(=O)[C@@H]1CN(c2ccncn2)CC[N@@H+](C2CCOCC2)C1	ZINC000257305832	436869230	/nfs/dbraw/zinc/86/92/30/436869230.db2.gz	SRTCUTUJHCHCQC-AWEZNQCLSA-N	1	0	333.436	0.482	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)c2ccnc(N3CCCC3)c2)CC[N@H+](C)C1	ZINC000257336122	436874092	/nfs/dbraw/zinc/87/40/92/436874092.db2.gz	YNHOSWKJKYTEAY-HNNXBMFYSA-N	1	0	345.447	0.432	40	0		ECABRO
Cn1nccc1C(=O)N1C[C@@H](O)[C@H]([N@H+](C)Cc2ccc(F)cc2)C1	ZINC000257344467	436877153	/nfs/dbraw/zinc/87/71/53/436877153.db2.gz	ZXIZZFFZOQHINW-HZPDHXFCSA-N	1	0	332.379	0.877	40	0		ECABRO
C[C@]1([NH2+]CCNS(=O)(=O)c2ccccc2)CCS(=O)(=O)C1	ZINC000575421136	438748329	/nfs/dbraw/zinc/74/83/29/438748329.db2.gz	GOIPPKHVMOSRBD-ZDUSSCGKSA-N	1	0	332.447	0.132	40	0		ECABRO
Cn1ccnc1CN[C@H]1CO[C@@H](C[N@H+](C)CCc2ccccc2)[C@@H]1O	ZINC000514289208	438812542	/nfs/dbraw/zinc/81/25/42/438812542.db2.gz	ZSUPZPYQXAHUDB-JENIJYKNSA-N	1	0	344.459	0.813	40	0	biogenic,in-vitro	ECABRO
C[NH+](C)CC(=O)N1Cc2ccnn2CC[C@H]1COc1cnccn1	ZINC000585097431	439629658	/nfs/dbraw/zinc/62/96/58/439629658.db2.gz	LPQMSOJNDKVSDN-AWEZNQCLSA-N	1	0	330.392	0.415	40	0		ECABRO
Cn1cc(N2C[C@@]3(CCC[N@H+](C[C@@H]4CCCO4)C3)C2=O)ccc1=O	ZINC000585099426	439629924	/nfs/dbraw/zinc/62/99/24/439629924.db2.gz	IVXYHDMLSNSNSW-YJBOKZPZSA-N	1	0	331.416	0.993	40	0		ECABRO
C[NH+](C)CCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccnc(F)c1	ZINC000585108477	439631375	/nfs/dbraw/zinc/63/13/75/439631375.db2.gz	SYSOMVFEJVFBJA-ZIAGYGMSSA-N	1	0	334.395	0.988	40	0		ECABRO
CO[C@@H]1CC[N@H+](Cc2cnn(C)c2)C[C@H]1CC(=O)N1CCOCC1	ZINC000585274659	439636589	/nfs/dbraw/zinc/63/65/89/439636589.db2.gz	LVRRJMHGIOHFLU-HZPDHXFCSA-N	1	0	336.436	0.506	40	0		ECABRO
CN(CC(=O)N[C@H]1CCCc2ccccc21)C[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291211	439641989	/nfs/dbraw/zinc/64/19/89/439641989.db2.gz	NGAHLWZBKIZYTH-XZKMEQPCSA-N	1	0	348.443	0.480	40	0		ECABRO
CC(=O)N[C@H]1CC2(CC[NH+](Cc3c[nH]nc3C)CC2)OC[C@]1(C)O	ZINC000257239462	534650482	/nfs/dbraw/zinc/65/04/82/534650482.db2.gz	HPIUGIRNOWQSDT-HOTGVXAUSA-N	1	0	336.436	0.729	40	0		ECABRO
CNC(=O)[C@@H]1CN(C(=O)CCN2CCc3ccccc32)CC[N@H+](C)C1	ZINC000257218268	536398476	/nfs/dbraw/zinc/39/84/76/536398476.db2.gz	DCLVLIUUONNDNK-INIZCTEOSA-N	1	0	344.459	0.575	40	0		ECABRO
C[N@@H+]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C[C@H](C(N)=O)C1	ZINC000257240335	244241289	/nfs/dbraw/zinc/24/12/89/244241289.db2.gz	HTBIROQSQGYFHJ-QGZVFWFLSA-N	1	0	329.444	0.983	40	0		ECABRO
NC(=O)C1CCN(C(=O)c2ccccc2-n2cc(C[NH3+])cn2)CC1	ZINC000257259228	244291597	/nfs/dbraw/zinc/29/15/97/244291597.db2.gz	KXKBULAFCFKSLU-UHFFFAOYSA-N	1	0	327.388	0.669	40	0		ECABRO
CNC(=O)[C@H]1CN(C(=O)CCc2nc(C(C)C)no2)CC[N@H+](C)C1	ZINC000257272613	244383822	/nfs/dbraw/zinc/38/38/22/244383822.db2.gz	NDCBCASILUXYRH-GFCCVEGCSA-N	1	0	337.424	0.262	40	0		ECABRO
Cc1nn(C)cc1S(=O)(=O)N(C)[C@@H]1CC[C@@H]([NH+]2CCCC2)[C@@H]1O	ZINC000257274157	244386409	/nfs/dbraw/zinc/38/64/09/244386409.db2.gz	NJUGXGCSINEAFP-UMVBOHGHSA-N	1	0	342.465	0.337	40	0		ECABRO
CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)CC[NH3+]	ZINC000257276316	244395411	/nfs/dbraw/zinc/39/54/11/244395411.db2.gz	NTEFOYKQWSFJLD-UHFFFAOYSA-N	1	0	343.431	0.768	40	0		ECABRO
NC(=O)C1CC[NH+]([C@@H]2CCN(Cc3ccc(F)cc3)C[C@H]2O)CC1	ZINC000019334321	212017232	/nfs/dbraw/zinc/01/72/32/212017232.db2.gz	DXRAEVBCRGHKEF-IAGOWNOFSA-N	1	0	335.423	0.958	40	0		ECABRO
C[NH+](C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)NC1CC1	ZINC000408709834	254764810	/nfs/dbraw/zinc/76/48/10/254764810.db2.gz	XRRILNBQBXHBTJ-UHFFFAOYSA-N	1	0	332.404	0.585	40	0		ECABRO
C[NH2+][C@H]1CC2(CCN(C(=O)c3cnc(C)nc3C)CC2)OC[C@]1(C)O	ZINC000257325005	277041661	/nfs/dbraw/zinc/04/16/61/277041661.db2.gz	WRBQMOVEBRKDEI-RDJZCZTQSA-N	1	0	348.447	0.828	40	0		ECABRO
O=C(C[C@@H]1O[C@H](C[NH2+]Cc2ccc(F)cc2)[C@@H](O)[C@H]1O)NC1CC1	ZINC000012603965	436053841	/nfs/dbraw/zinc/05/38/41/436053841.db2.gz	PNHQRQMWFMNVTM-HDEZJCGLSA-N	1	0	338.379	0.073	40	0	biogenic,in-vitro	ECABRO
COc1ccccc1N(CC(=O)NCC[NH+](C)C)S(C)(=O)=O	ZINC000013676182	436065263	/nfs/dbraw/zinc/06/52/63/436065263.db2.gz	FRNWXWCEZNJGRU-UHFFFAOYSA-N	1	0	329.422	0.139	40	0		ECABRO
CCOc1cc(CNCC[NH2+]CCO)cc(Cl)c1OCC(N)=O	ZINC000022075692	436117515	/nfs/dbraw/zinc/11/75/15/436117515.db2.gz	LVSMGEMJXHDAID-UHFFFAOYSA-N	1	0	345.827	0.274	40	0		ECABRO
Cc1nc(CN2CC[C@]3(CCN(C(=O)C[NH+](C)C)C3)C2=O)cs1	ZINC000096159466	436518176	/nfs/dbraw/zinc/51/81/76/436518176.db2.gz	YIMWLXDDLHTLAJ-MRXNPFEDSA-N	1	0	336.461	0.964	40	0		ECABRO
CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](NS(C)(=O)=O)[C@@H]3C2)o1	ZINC000096185731	436519782	/nfs/dbraw/zinc/51/97/82/436519782.db2.gz	IWSSTIDCLHIMHN-DFBGVHRSSA-N	1	0	328.434	0.838	40	0		ECABRO
CN(C)C(=O)COC[C@H]1Cn2nccc2C[N@H+](C[C@@H]2CCOC2)C1	ZINC000096189077	436521572	/nfs/dbraw/zinc/52/15/72/436521572.db2.gz	XFVZOHRZSRBSKX-LSDHHAIUSA-N	1	0	336.436	0.456	40	0		ECABRO
Cn1nnc2c1[C@H](COCC[NH+](C)C)CN(Cc1ccncc1)C2	ZINC000096060677	436508394	/nfs/dbraw/zinc/50/83/94/436508394.db2.gz	HLHIEIYQUOEJFM-HNNXBMFYSA-N	1	0	330.436	0.888	40	0		ECABRO
Cn1cc(C[NH2+]C[C@@H]2Cn3nnc(-c4cnn(C)c4)c3CO2)cn1	ZINC000096061010	436508616	/nfs/dbraw/zinc/50/86/16/436508616.db2.gz	YLYGWYBNNRIBGP-CYBMUJFWSA-N	1	0	328.380	0.101	40	0		ECABRO
C[NH+](C)CCOCc1nnn2c1CN(C(=O)c1ccco1)CCC2	ZINC000096058831	436509069	/nfs/dbraw/zinc/50/90/69/436509069.db2.gz	VTAZHSYQIWFZEE-UHFFFAOYSA-N	1	0	333.392	0.995	40	0		ECABRO
COCC[N@@H+]1CCO[C@@H]2CN(C(=O)Cc3ccccn3)CC[C@@H]2C1	ZINC000096249610	436527994	/nfs/dbraw/zinc/52/79/94/436527994.db2.gz	JQYWCQPJILVYQW-NVXWUHKLSA-N	1	0	333.432	0.820	40	0		ECABRO
O=C(c1cc[nH]n1)N1CC[C@@H]2[C@H](CC1)OCCN2CC[NH+]1CCCC1	ZINC000096249365	436528730	/nfs/dbraw/zinc/52/87/30/436528730.db2.gz	UXSRZGKLEXRRDU-SJORKVTESA-N	1	0	347.463	0.811	40	0		ECABRO
O=C(NC[C@@H]1CO[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]12)c1cnccn1	ZINC000247434617	436793300	/nfs/dbraw/zinc/79/33/00/436793300.db2.gz	VLFOZTDVYGBNMS-BFYDXBDKSA-N	1	0	346.431	0.580	40	0		ECABRO
Cc1ccc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)s1	ZINC000257306719	436868529	/nfs/dbraw/zinc/86/85/29/436868529.db2.gz	SVNAKCNAJMBYHI-WBVHZDCISA-N	1	0	347.440	0.789	40	0		ECABRO
Cn1cc(C(=O)N2CC[C@H](O)[C@@H]([N@@H+]3CCCN(C)CC3)CC2)cn1	ZINC000257312579	436868742	/nfs/dbraw/zinc/86/87/42/436868742.db2.gz	UOPHZKMOQHAUQT-HOTGVXAUSA-N	1	0	335.452	0.023	40	0		ECABRO
Cc1ccnc([C@@H]2CN(C(=O)CN3CC[NH+](C(C)C)CC3)CCO2)n1	ZINC000257311635	436869014	/nfs/dbraw/zinc/86/90/14/436869014.db2.gz	UKJRZRGNPZLXMY-INIZCTEOSA-N	1	0	347.463	0.711	40	0		ECABRO
CC(=O)N[C@@H]1CC[C@H](O)[C@@H]([NH+]2CCN(c3ccccc3)CC2)[C@@H]1O	ZINC000257319088	436871074	/nfs/dbraw/zinc/87/10/74/436871074.db2.gz	VQRRTBGPGULTSD-XMTFNYHQSA-N	1	0	333.432	0.198	40	0		ECABRO
O=C(c1cnc[nH]c1=O)N1CC[C@@](O)(C[NH+]2CCC(F)(F)CC2)C1	ZINC000257341292	436875650	/nfs/dbraw/zinc/87/56/50/436875650.db2.gz	ZJSNAECGBCSELA-CQSZACIVSA-N	1	0	342.346	0.490	40	0		ECABRO
Cc1ccc(C[N@H+]2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)s1	ZINC000306127168	437164591	/nfs/dbraw/zinc/16/45/91/437164591.db2.gz	FQHTVEZUQTXDLE-MRXNPFEDSA-N	1	0	348.428	0.487	40	0		ECABRO
CC(C)NC(=O)c1nnc2n1C[C@@H]1C[N@@H+](Cc3cnn(C)c3)C[C@@H]1C2	ZINC000306136086	437167032	/nfs/dbraw/zinc/16/70/32/437167032.db2.gz	PISBSNXNUBZQMM-KBPBESRZSA-N	1	0	343.435	0.454	40	0		ECABRO
COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H](NC(=O)NC2CCC2)[C@H]1O	ZINC000514289111	438813254	/nfs/dbraw/zinc/81/32/54/438813254.db2.gz	TVYNRLFYQBXWHU-CBBWQLFWSA-N	1	0	327.425	0.077	40	0	biogenic,in-vitro	ECABRO
CO[C@@H]1CC[N@H+](CC(=O)NCc2cccc(F)c2)C[C@H]1CC(N)=O	ZINC000585275383	439637199	/nfs/dbraw/zinc/63/71/99/439637199.db2.gz	DIWLRRDXUQEUGZ-UKRRQHHQSA-N	1	0	337.395	0.654	40	0		ECABRO
C[C@]1(C(=O)NCCO)CCC[N@@H+]1Cc1ccc(OCCCO)cc1	ZINC000585270554	439637708	/nfs/dbraw/zinc/63/77/08/439637708.db2.gz	ZKTLGWUEEJEREP-GOSISDBHSA-N	1	0	336.432	0.911	40	0		ECABRO
Cc1cc(CN2CC3(C2)C[C@@H](COCC(=O)N(C)C)C[N@@H+]3C)n(C)n1	ZINC000585093801	439627769	/nfs/dbraw/zinc/62/77/69/439627769.db2.gz	GLUOBIMGPSLOTN-OAHLLOKOSA-N	1	0	349.479	0.339	40	0		ECABRO
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