smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C1(C[NH3+])C[NH3+]	ZINC000218192108	241303422	/nfs/dbraw/zinc/30/34/22/241303422.db2.gz	IDFMGVMICDREKX-WDEREUQCSA-N	2	0	333.251	0.863	40	0		ECABRP
O=C(NCCCCCCNC(=O)[C@H]1CCC[NH2+]C1)[C@H]1CCC[NH2+]C1	ZINC000005600232	435991780	/nfs/dbraw/zinc/99/17/80/435991780.db2.gz	NYIOFCICYMIZNP-HOTGVXAUSA-N	2	0	338.496	0.778	40	0		ECABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](Cc2cccn3nccc23)C1	ZINC000257199991	244115912	/nfs/dbraw/zinc/11/59/12/244115912.db2.gz	ABOCACHQQZMFCT-VYDXJSESSA-N	2	0	345.447	0.152	40	0		ECABRP
CNc1nc(C2CC[NH2+]CC2)nc2c1CCN(C(=O)C[NH+](C)C)C2	ZINC000019711356	202016640	/nfs/dbraw/zinc/01/66/40/202016640.db2.gz	KHYQJVKWYVGKJA-UHFFFAOYSA-N	2	0	332.452	0.432	40	0		ECABRP
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)C2)CC1	ZINC000072369446	277108039	/nfs/dbraw/zinc/10/80/39/277108039.db2.gz	HOMKOLMDEUFOBL-MSOLQXFVSA-N	2	0	338.496	0.072	40	0		ECABRP
NC(=O)C[N@@H+]1CCCC[C@H]2CN(C(=O)C=Cc3c[nH]cn3)CC[C@H]21	ZINC000585290259	439641432	/nfs/dbraw/zinc/64/14/32/439641432.db2.gz	ALDAKCHEZLYZTF-GMOCUTOCSA-N	2	0	331.420	0.611	40	0		ECABRP
CN(C(=O)/C=C/C[NH+](C)C)[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000585289418	439641774	/nfs/dbraw/zinc/64/17/74/439641774.db2.gz	JEDDGDKAVYGSGX-SXVPMFKMSA-N	2	0	339.480	0.567	40	0		ECABRP
[NH3+]C[C@@H](O)COc1ccc(Cc2ccc(OC[C@H](O)C[NH3+])cc2)cc1	ZINC000026896597	202149567	/nfs/dbraw/zinc/14/95/67/202149567.db2.gz	IHCPRLFOVDHDAZ-IAGOWNOFSA-N	2	0	346.427	0.674	40	0		ECABRP
[NH3+]C[C@H]1C[C@@H]2CCN1C[C@@H]2C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000020503843	436111199	/nfs/dbraw/zinc/11/11/99/436111199.db2.gz	LQNNBBQJVCTIKM-IECFSIQFSA-N	2	0	342.487	0.937	40	0	biogenic,in-vitro	ECABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cccn3nccc23)C1	ZINC000257199992	244114204	/nfs/dbraw/zinc/11/42/04/244114204.db2.gz	ABOCACHQQZMFCT-YQQAZPJKSA-N	2	0	345.447	0.152	40	0		ECABRP
NC(=O)c1ccc[n+](CCCCCC[n+]2cccc(C(N)=O)c2)c1	ZINC000003023154	205633571	/nfs/dbraw/zinc/63/35/71/205633571.db2.gz	KFLRGLMBHNEYHU-UHFFFAOYSA-P	2	0	328.416	0.720	40	0		ECABRP
COCc1cc(C[C@@H]2CC[C@H](O)[C@@H](C[NH2+]C3CC[NH2+]CC3)O2)no1	ZINC000077262732	436228136	/nfs/dbraw/zinc/22/81/36/436228136.db2.gz	VKUVUSCPSUVPLE-BHYGNILZSA-N	2	0	339.436	0.614	40	0	biogenic,in-vitro	ECABRP
Cn1cc(C[N@H+]2CCc3ncc(CN4CC[NH+](C)CC4)n3CC2)cn1	ZINC000096196925	436520678	/nfs/dbraw/zinc/52/06/78/436520678.db2.gz	UXRLRCSVNZZAGR-UHFFFAOYSA-N	2	0	343.479	0.422	40	0		ECABRP
CN(C(=O)/C=C/CN1CCOCC1)[C@@H]1CC[C@@H](n2ccnc2)[C@@H]1O	ZINC000585292073	439641294	/nfs/dbraw/zinc/64/12/94/439641294.db2.gz	WRJOEFHGMPICNR-AXTNZVBRSA-N	2	0	334.420	0.294	40	0		ECABRP
Cn1cc(C[NH2+][C@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)cn1	ZINC000096189635	436520621	/nfs/dbraw/zinc/52/06/21/436520621.db2.gz	ANZUHYVYAIAKOH-INIZCTEOSA-N	2	0	329.448	0.791	40	0		ECABRP
C[NH2+]Cc1cn(C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C(=O)N2CCCC2)nn1	ZINC000008300133	560208651	/nfs/dbraw/zinc/20/86/51/560208651.db2.gz	PDOILEBUMRZQGI-IMJJTQAJSA-N	2	0	332.452	0.330	40	0	biogenic,in-vitro	ECABRP
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000257333613	436871874	/nfs/dbraw/zinc/87/18/74/436871874.db2.gz	YCHBILQAIKHAOY-LJQANCHMSA-N	2	0	346.475	0.867	40	0		ECABRP
CNC(=O)[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1	ZINC000585182331	439635916	/nfs/dbraw/zinc/63/59/16/439635916.db2.gz	NUNZOMQNFAZJFG-INIZCTEOSA-N	2	0	332.448	0.498	40	0		ECABRP
CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)C[NH2+]C)CC1	ZINC000257230232	244211338	/nfs/dbraw/zinc/21/13/38/244211338.db2.gz	GBJSVVLKAXZKND-SFHVURJKSA-N	2	0	334.464	0.867	40	0		ECABRP
[NH3+]C[C@@H](O)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH3+])cc2)cc1	ZINC000026896592	436168405	/nfs/dbraw/zinc/16/84/05/436168405.db2.gz	IHCPRLFOVDHDAZ-CALCHBBNSA-N	2	0	346.427	0.674	40	0		ECABRP
C[C@H]1N(CC[NH+](C)C)C(=O)COC12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096201526	436523475	/nfs/dbraw/zinc/52/34/75/436523475.db2.gz	MKRMIKMKIHRJNO-OAHLLOKOSA-N	2	0	349.479	0.564	40	0		ECABRP
O=C(C=Cc1c[nH]cn1)N[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000585291205	439642283	/nfs/dbraw/zinc/64/22/83/439642283.db2.gz	NEOUZDBFFINZAJ-SYFBOWRASA-N	2	0	334.420	0.543	40	0		ECABRP
Cc1nn2c(nccc2[C@H]2CC[NH2+]C2)c1C[NH+]1CCC(C(N)=O)CC1	ZINC000072374100	216177180	/nfs/dbraw/zinc/17/71/80/216177180.db2.gz	URAUGEQZMJGMNK-AWEZNQCLSA-N	2	0	342.447	0.812	40	0		ECABRP
O=C(c1ccnnc1)N1CC[N@@H+]2C[C@H](OCC[NH+]3CCCC3)C[C@H]2C1	ZINC000096063760	436508595	/nfs/dbraw/zinc/50/85/95/436508595.db2.gz	BLPNPYUGZXITHJ-DLBZAZTESA-N	2	0	345.447	0.488	40	0		ECABRP
[NH3+]CCCCCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	ZINC000044960156	436357146	/nfs/dbraw/zinc/35/71/46/436357146.db2.gz	XUKDCKJRAWVROB-XMTFNYHQSA-N	2	0	346.512	0.605	40	0	in-vitro	ECABRP
CN1CC[NH+](C[C@]2(O)CCN(C(=O)[C@]3(C)CCCC[N@@H+]3C)C2)CC1	ZINC000248077229	436799751	/nfs/dbraw/zinc/79/97/51/436799751.db2.gz	HOMKOLMDEUFOBL-ZWKOTPCHSA-N	2	0	338.496	0.072	40	0		ECABRP
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2O)cc1	ZINC000257332836	436872882	/nfs/dbraw/zinc/87/28/82/436872882.db2.gz	XYXPYNRRQNHNSM-QZTJIDSGSA-N	2	0	347.459	0.795	40	0		ECABRP
CCN1c2ccccc2[C@@]2(NC(=[NH2+])NC(N3CCCCC3)=[NH+]2)C1=O	ZINC000019330863	276255273	/nfs/dbraw/zinc/25/52/73/276255273.db2.gz	OSHOHFABRFVJSO-KRWDZBQOSA-N	2	0	326.404	0.966	40	0		ECABRP
COc1ccc(C[N@H+](C)[C@@H]2CN(C(=O)C3([NH3+])CCCC3)C[C@H]2O)cc1	ZINC000257232223	244215319	/nfs/dbraw/zinc/21/53/19/244215319.db2.gz	GJWLJZVDIMMEGQ-IAGOWNOFSA-N	2	0	347.459	0.970	40	0		ECABRP
[NH3+]C[C@H](O)COc1ccc(Cc2ccc(OC[C@@H](O)C[NH3+])cc2)cc1	ZINC000026896594	436169455	/nfs/dbraw/zinc/16/94/55/436169455.db2.gz	IHCPRLFOVDHDAZ-IRXDYDNUSA-N	2	0	346.427	0.674	40	0		ECABRP
O=Cc1ccc2c(c1)OCC[NH2+]CCOCCOCC[NH2+]CCO2	ZINC000196036449	563950242	/nfs/dbraw/zinc/95/02/42/563950242.db2.gz	VAEOZZASXBRGRB-UHFFFAOYSA-N	2	0	338.404	0.483	40	0		ECABRP
C[N@H+](CCC(=O)N1C[C@@H](O)[C@H]([NH+]2CCCC2)C1)Cc1cccnc1	ZINC000257246507	536304677	/nfs/dbraw/zinc/30/46/77/536304677.db2.gz	IUJRSJUKORUUOF-IAGOWNOFSA-N	2	0	332.448	0.571	40	0		ECABRP
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)C[NH2+]C)CC1	ZINC000257230231	244211019	/nfs/dbraw/zinc/21/10/19/244211019.db2.gz	GBJSVVLKAXZKND-GOSISDBHSA-N	2	0	334.464	0.867	40	0		ECABRP
C[NH+](C)CCn1cc2[nH]c([C@H]3CCC[N@@H+]3CC(N)=O)ccc-2c1=O	ZINC000072355314	216163782	/nfs/dbraw/zinc/16/37/82/216163782.db2.gz	HPWHPMOYRBQRPN-OAHLLOKOSA-N	2	0	331.420	0.221	40	0		ECABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2cn3cccc3cn2)C1	ZINC000257251201	244271400	/nfs/dbraw/zinc/27/14/00/244271400.db2.gz	JPVFDVGAGABUFP-RRQGHBQHSA-N	2	0	345.447	0.152	40	0		ECABRP
C[NH+](C)CCn1cc2[nH]c([C@@H]3CCC[N@@H+]3CC(N)=O)ccc-2c1=O	ZINC000072355313	216164410	/nfs/dbraw/zinc/16/44/10/216164410.db2.gz	HPWHPMOYRBQRPN-HNNXBMFYSA-N	2	0	331.420	0.221	40	0		ECABRP
Cc1nc(C[NH+]2CCC3(CC2)C[C@H](NS(C)(=O)=O)CCO3)c[nH]1	ZINC000108525593	436619703	/nfs/dbraw/zinc/61/97/03/436619703.db2.gz	XIBREDLHIACVHL-CYBMUJFWSA-N	2	0	342.465	0.781	40	0		ECABRP
Cn1cc(C[N@@H+]2CCc3ccc(=O)n(CC[NH+](C)C)c3CC2)cn1	ZINC000096196645	436520723	/nfs/dbraw/zinc/52/07/23/436520723.db2.gz	KTCFEYLOLUAYTR-UHFFFAOYSA-N	2	0	329.448	0.744	40	0		ECABRP
CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@H]3CCOC3)CC2)C1	ZINC000096239857	436526855	/nfs/dbraw/zinc/52/68/55/436526855.db2.gz	WWEFEEPZQQAOFL-MRXNPFEDSA-N	2	0	339.480	0.526	40	0		ECABRP
C[NH+](C)CCCN1CN(CCC[NH+](C)C)CN(CCC[NH+](C)C)C1	ZINC000019203842	212004707	/nfs/dbraw/zinc/00/47/07/212004707.db2.gz	FZQMJOOSLXFQSU-UHFFFAOYSA-N	3	0	342.576	0.634	40	0		ECABRP
CN1CC[NH+](C[C@@H]2Cn3ccnc3CN(C[C@H]3CCOC3)C2)CC1	ZINC000107209770	436607881	/nfs/dbraw/zinc/60/78/81/436607881.db2.gz	GLEVNPSKTIISFW-SJORKVTESA-N	2	0	333.480	0.599	40	0		ECABRP
COc1ccc(C[N@H+](C)C[C@@]2(O)CCCN(C(=O)C[NH3+])CC2)cc1	ZINC000257340062	436874649	/nfs/dbraw/zinc/87/46/49/436874649.db2.gz	ZEHJKHXIRHIRTG-GOSISDBHSA-N	2	0	335.448	0.829	40	0		ECABRP
Cc1noc(C)c1C[N@@H+]1C[C@H]2C[C@H](C(=O)NCC[NH+](C)C)N(C)[C@H]2C1	ZINC000096182621	436518702	/nfs/dbraw/zinc/51/87/02/436518702.db2.gz	MMMXRSDKXNDDHV-OIISXLGYSA-N	2	0	349.479	0.474	40	0		ECABRP
[NH3+]CC(=O)N1CCC[C@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257309522	436868396	/nfs/dbraw/zinc/86/83/96/436868396.db2.gz	UBFPIADAZVNGAL-LJQANCHMSA-N	2	0	346.475	0.511	40	0		ECABRP
C[NH+](C)CCNc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)n1	ZINC000329039705	437307854	/nfs/dbraw/zinc/30/78/54/437307854.db2.gz	RYWGMXYNQYKTRH-UHFFFAOYSA-N	2	0	332.496	0.973	40	0		ECABRP
CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000585290453	439641253	/nfs/dbraw/zinc/64/12/53/439641253.db2.gz	DHGIMNQXNITDOD-LZYNDVPASA-N	2	0	348.447	0.886	40	0		ECABRP
C[NH+](C)CCN1CC2(CC[NH+](Cc3ccccn3)CC2)OCC1=O	ZINC000096070203	436510346	/nfs/dbraw/zinc/51/03/46/436510346.db2.gz	RRBCKRRDEHYEME-UHFFFAOYSA-N	2	0	332.448	0.837	40	0		ECABRP
C[NH+](C)C/C=C/C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)[C@@](C)(O)CO2	ZINC000585289348	439641015	/nfs/dbraw/zinc/64/10/15/439641015.db2.gz	IHPHSIHLSWQRLM-PDZIMXBZSA-N	2	0	339.480	0.567	40	0		ECABRP
CNC(=O)[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+](C)C1	ZINC000585182332	439635309	/nfs/dbraw/zinc/63/53/09/439635309.db2.gz	NUNZOMQNFAZJFG-MRXNPFEDSA-N	2	0	332.448	0.498	40	0		ECABRP
CCN1c2ccccc2[C@]2(NC(=[NH2+])NC(N3CCCCC3)=[NH+]2)C1=O	ZINC000019330859	276255059	/nfs/dbraw/zinc/25/50/59/276255059.db2.gz	OSHOHFABRFVJSO-QGZVFWFLSA-N	2	0	326.404	0.966	40	0		ECABRP
Cn1cc(C[NH+]2CCC3(CC2)CN(CC[NH+](C)C)C(=O)CO3)cn1	ZINC000247978760	436797558	/nfs/dbraw/zinc/79/75/58/436797558.db2.gz	JACGGMMKKZGEPZ-UHFFFAOYSA-N	2	0	335.452	0.175	40	0		ECABRP
Cc1cncc(CN2CCC([N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)c1	ZINC000585291573	439641305	/nfs/dbraw/zinc/64/13/05/439641305.db2.gz	QIJIIMUCHBLDAX-KURKYZTESA-N	2	0	335.448	0.407	40	0		ECABRP
C[C@]12C[N@@H+](C3CC[NH2+]CC3)C[C@H]1C(=O)Nc1ccccc1C(=O)N2	ZINC000012337905	436050828	/nfs/dbraw/zinc/05/08/28/436050828.db2.gz	LSVYDETULZJLGD-KSSFIOAISA-N	2	0	328.416	0.811	40	0		ECABRP
COC[C@H]1CCC[N@@H+]1C[C@@H]1OC[C@H]([NH2+]C2Cc3ccccc3C2)[C@H]1O	ZINC000514288829	438812854	/nfs/dbraw/zinc/81/28/54/438812854.db2.gz	FTRKKNQPKBDACO-FUMNGEBKSA-N	2	0	346.471	0.983	40	0	biogenic,in-vitro	ECABRP
COc1cc(CN2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1OCC[NH+](C)C	ZINC000585271399	439637771	/nfs/dbraw/zinc/63/77/71/439637771.db2.gz	FOXWSGHVRGUFQT-HOTGVXAUSA-N	2	0	337.464	0.742	40	0		ECABRP
Cn1nnc2c1[C@H](COCC[NH+](C)C)C[N@H+](CC1CCOCC1)C2	ZINC000096060687	436508588	/nfs/dbraw/zinc/50/85/88/436508588.db2.gz	HBDUOGIMBGMCJF-HNNXBMFYSA-N	2	0	337.468	0.719	40	0		ECABRP
C[NH2+][C@@H]1C[C@@H](O)[C@](O)(C[NH+]2CCC(c3ccccc3)CC2)[C@@H](O)C1	ZINC000257294312	436863347	/nfs/dbraw/zinc/86/33/47/436863347.db2.gz	QTNLDEATWUKCHT-ZKQFHSMGSA-N	2	0	334.460	0.701	40	0		ECABRP
Cc1cc(CN2CCC(C[N@@H+](C)[C@@H]3COC[C@@H](O)[C@H]3O)CC2)no1	ZINC000585292117	439642002	/nfs/dbraw/zinc/64/20/02/439642002.db2.gz	XXQPTJBIEXPHCY-ZACQAIPSSA-N	2	0	339.436	0.247	40	0		ECABRP
[NH3+]CCC[NH2+]CCCC[NH2+]CCCNC(=O)Cc1ccc(O)cc1	ZINC000003804752	210074804	/nfs/dbraw/zinc/07/48/04/210074804.db2.gz	DRHUIJOIIKXHEH-UHFFFAOYSA-N	3	0	336.480	0.749	40	0	in-vitro	ECABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@@H](O)[C@@H](Cc2ccc3nccn3c2)C1	ZINC000257209915	244146796	/nfs/dbraw/zinc/14/67/96/244146796.db2.gz	BSKNUWPOQXRKFO-HRCADAONSA-N	2	0	345.447	0.152	40	0		ECABRP
CS(=O)(=O)[C@H]1[C@@H](c2ccc(Br)cc2)C1(C[NH3+])C[NH3+]	ZINC000218192016	278118248	/nfs/dbraw/zinc/11/82/48/278118248.db2.gz	IDFMGVMICDREKX-MNOVXSKESA-N	2	0	333.251	0.863	40	0		ECABRP
Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H](C(=O)N4CCN(C)CC4)N(C)[C@@H]3C2)o1	ZINC000248133995	436801450	/nfs/dbraw/zinc/80/14/50/436801450.db2.gz	ZPQBOZFTEWZEEY-RYQLBKOJSA-N	2	0	346.475	0.867	40	0		ECABRP
C[NH+](C)CCOCc1nnn2c1C[N@H+](CC1CCOCC1)CCC2	ZINC000096058836	436508417	/nfs/dbraw/zinc/50/84/17/436508417.db2.gz	UWZQMJYZUYJRJQ-UHFFFAOYSA-N	2	0	337.468	0.989	40	0		ECABRP
COc1ccc(C[N@H+](C)C[C@]2(O)CCCN(C(=O)C[NH3+])CC2)cc1	ZINC000257340063	436875686	/nfs/dbraw/zinc/87/56/86/436875686.db2.gz	ZEHJKHXIRHIRTG-SFHVURJKSA-N	2	0	335.448	0.829	40	0		ECABRP
Cn1cc(C[N@H+]2CCc3nnc([C@H]4CCC[NH+](C)C4)n3CC2)cn1	ZINC000072352749	216163002	/nfs/dbraw/zinc/16/30/02/216163002.db2.gz	ZZXAWYQBGWBHFL-HNNXBMFYSA-N	2	0	329.452	0.879	40	0		ECABRP
Cn1nnc2c1[C@@H](COCC[NH+](C)C)C[N@H+](CC1CCOCC1)C2	ZINC000096060686	436508576	/nfs/dbraw/zinc/50/85/76/436508576.db2.gz	HBDUOGIMBGMCJF-OAHLLOKOSA-N	2	0	337.468	0.719	40	0		ECABRP
CN1CC[NH+](C[C@]2(O)CCN(C(=O)C[NH+]3CCCCCC3)C2)CC1	ZINC000257294231	436863382	/nfs/dbraw/zinc/86/33/82/436863382.db2.gz	QTDIKDJPKSMSQO-GOSISDBHSA-N	2	0	338.496	0.073	40	0		ECABRP
CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCN(C(=O)C2CC[NH2+]CC2)C1	ZINC000257333612	436873365	/nfs/dbraw/zinc/87/33/65/436873365.db2.gz	YCHBILQAIKHAOY-IBGZPJMESA-N	2	0	346.475	0.867	40	0		ECABRP
Cc1nn2c(nccc2[C@@H]2CC[NH2+]C2)c1C[NH+]1CCC(C(N)=O)CC1	ZINC000072374099	279218242	/nfs/dbraw/zinc/21/82/42/279218242.db2.gz	URAUGEQZMJGMNK-CQSZACIVSA-N	2	0	342.447	0.812	40	0		ECABRP
O=C(NCCCCCCNC(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1	ZINC000005600371	435990321	/nfs/dbraw/zinc/99/03/21/435990321.db2.gz	NYIOFCICYMIZNP-HZPDHXFCSA-N	2	0	338.496	0.778	40	0		ECABRP
CC(C)NC(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCN(C)CC1	ZINC000022926968	436122027	/nfs/dbraw/zinc/12/20/27/436122027.db2.gz	MUIRNODWUQLLIJ-YESZJQIVSA-N	2	0	337.512	0.652	40	0	biogenic,in-vitro	ECABRP
[NH3+]CC(=O)N1CCC[C@@](O)(C[NH+]2CCN(c3ccccc3)CC2)CC1	ZINC000257309521	436869215	/nfs/dbraw/zinc/86/92/15/436869215.db2.gz	UBFPIADAZVNGAL-IBGZPJMESA-N	2	0	346.475	0.511	40	0		ECABRP
CN1CC[NH+](C[C@H]2Cn3ccnc3CN(C[C@H]3CCOC3)C2)CC1	ZINC000107209766	436608128	/nfs/dbraw/zinc/60/81/28/436608128.db2.gz	GLEVNPSKTIISFW-IAGOWNOFSA-N	2	0	333.480	0.599	40	0		ECABRP
Cn1cc(C[N@H+]2CCc3nnc([C@@H]4CCC[NH+](C)C4)n3CC2)cn1	ZINC000072352748	216162580	/nfs/dbraw/zinc/16/25/80/216162580.db2.gz	ZZXAWYQBGWBHFL-OAHLLOKOSA-N	2	0	329.452	0.879	40	0		ECABRP
NC(=O)c1ccc[n+](Cc2ccccc2C[n+]2cccc(C(N)=O)c2)c1	ZINC000001705819	435962276	/nfs/dbraw/zinc/96/22/76/435962276.db2.gz	PZLSPSCUKDXMHF-UHFFFAOYSA-P	2	0	348.406	0.556	40	0		ECABRP
C[NH+]1CCc2nc(N)nc(-c3nc(N)nc4c3C[N@H+](C)CC4)c2C1	ZINC000031772093	436232646	/nfs/dbraw/zinc/23/26/46/436232646.db2.gz	QDOFXHLKZYKCIA-UHFFFAOYSA-N	2	0	326.408	0.074	40	0	in-vitro	ECABRP
C[NH+]1CCC(N2C[C@H]3NS(=O)(=O)c4ccccc4O[C@H]3C2)CC1	ZINC000514289846	438811267	/nfs/dbraw/zinc/81/12/67/438811267.db2.gz	PHQLUQGQLZHYSE-HIFRSBDPSA-N	2	0	337.445	0.504	40	0	biogenic,in-vitro	ECABRP
C[N@H+](C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1COC[C@@H](O)[C@H]1O	ZINC000585291989	439641811	/nfs/dbraw/zinc/64/18/11/439641811.db2.gz	UULLFOSLBMJPSO-KURKYZTESA-N	2	0	338.423	0.843	40	0		ECABRP
CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000585290598	439642338	/nfs/dbraw/zinc/64/23/38/439642338.db2.gz	FWBLZQCPXAJWDY-SYFBOWRASA-N	2	0	334.420	0.496	40	0		ECABRP
C[NH+](C)CCOCc1nnc2n1CC[N@@H+](Cc1cccnc1)CC2	ZINC000096058870	436508449	/nfs/dbraw/zinc/50/84/49/436508449.db2.gz	VAPFDRCQJGLJHK-UHFFFAOYSA-N	2	0	330.436	0.810	40	0		ECABRP
C[C@@H]1N(CC[NH+](C)C)C(=O)COC12CC[NH+](Cc1cnn(C)c1)CC2	ZINC000096201527	436522987	/nfs/dbraw/zinc/52/29/87/436522987.db2.gz	MKRMIKMKIHRJNO-HNNXBMFYSA-N	2	0	349.479	0.564	40	0		ECABRP
Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])ccc12	ZINC000004533742	210215394	/nfs/dbraw/zinc/21/53/94/210215394.db2.gz	ZSQPDAOJXSYJNP-GFCCVEGCSA-N	2	0	331.376	0.630	40	0		ECABRP
O=C(NCCCCCCNC(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CCC[NH2+]C1	ZINC000005600231	435991544	/nfs/dbraw/zinc/99/15/44/435991544.db2.gz	NYIOFCICYMIZNP-IYBDPMFKSA-N	2	0	338.496	0.778	40	0		ECABRP
CN(C)C(=O)C[N@@H+]1CCOCC2(CC[NH+](C[C@@H]3CCOC3)CC2)C1	ZINC000096239856	436525882	/nfs/dbraw/zinc/52/58/82/436525882.db2.gz	WWEFEEPZQQAOFL-INIZCTEOSA-N	2	0	339.480	0.526	40	0		ECABRP
CS(=O)(=O)[C@@H]1[C@@H](c2ccc(Br)cc2)C1(C[NH3+])C[NH3+]	ZINC000218191959	278117162	/nfs/dbraw/zinc/11/71/62/278117162.db2.gz	IDFMGVMICDREKX-GHMZBOCLSA-N	2	0	333.251	0.863	40	0		ECABRP
CN1[C@@H](C(=O)NCC[NH+](C)C)C[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]21	ZINC000096185746	436518937	/nfs/dbraw/zinc/51/89/37/436518937.db2.gz	KKCAZVPXVRHTQW-ARFHVFGLSA-N	2	0	336.505	0.930	40	0		ECABRP
CN1CC[NH+](C[C@]2(O)CCN(C(=O)[C@@]3(C)CCCC[N@@H+]3C)C2)CC1	ZINC000248077226	436799122	/nfs/dbraw/zinc/79/91/22/436799122.db2.gz	HOMKOLMDEUFOBL-QZTJIDSGSA-N	2	0	338.496	0.072	40	0		ECABRP
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)[C@]3(C)CCCC[N@@H+]3C)C2)CC1	ZINC000072369447	277107940	/nfs/dbraw/zinc/10/79/40/277107940.db2.gz	HOMKOLMDEUFOBL-ROUUACIJSA-N	2	0	338.496	0.072	40	0		ECABRP
NC(=O)[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1c1ccc(C[NH3+])cc1	ZINC000019698684	436107340	/nfs/dbraw/zinc/10/73/40/436107340.db2.gz	CQBPHVGIFHMZQZ-CVEARBPZSA-N	2	0	330.432	0.268	40	0		ECABRP
[NH3+]CCCC[C@H]([NH3+])C(=O)N1C[C@H](O)[C@H](Cc2ccc3nccn3c2)C1	ZINC000257209916	244146097	/nfs/dbraw/zinc/14/60/97/244146097.db2.gz	BSKNUWPOQXRKFO-PMPSAXMXSA-N	2	0	345.447	0.152	40	0		ECABRP
Cc1nc(C[NH+]2CCC3(CC2)C[C@@H](NS(C)(=O)=O)CCO3)c[nH]1	ZINC000108525590	436619536	/nfs/dbraw/zinc/61/95/36/436619536.db2.gz	XIBREDLHIACVHL-ZDUSSCGKSA-N	2	0	342.465	0.781	40	0		ECABRP
CN1[C@@H](C(=O)NCC[NH+](C)C)C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]21	ZINC000096182611	436519714	/nfs/dbraw/zinc/51/97/14/436519714.db2.gz	DPFRLMRBMWMQGJ-BMFZPTHFSA-N	2	0	336.505	0.930	40	0		ECABRP
Cn1cc(C[NH2+][C@@H]2CCc3c(ccc(=O)n3CC[NH+](C)C)C2)cn1	ZINC000096189634	436521981	/nfs/dbraw/zinc/52/19/81/436521981.db2.gz	ANZUHYVYAIAKOH-MRXNPFEDSA-N	2	0	329.448	0.791	40	0		ECABRP
C[NH+](C)CCOCc1nnc2n1CC[N@@H+](Cc1ccncc1)CC2	ZINC000096058871	436507967	/nfs/dbraw/zinc/50/79/67/436507967.db2.gz	IWBAMTKDZCLWHD-UHFFFAOYSA-N	2	0	330.436	0.810	40	0		ECABRP
CN1CC[NH+](C[C@@]2(O)CCN(C(=O)C[NH+]3CCCCCC3)C2)CC1	ZINC000257294232	436863409	/nfs/dbraw/zinc/86/34/09/436863409.db2.gz	QTDIKDJPKSMSQO-SFHVURJKSA-N	2	0	338.496	0.073	40	0		ECABRP