smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C(Nc1ccc2c(c1)[nH]cc2C1=C[NH+]2CCC1CC2)c1cccs1	ZINC000101448397	219127663	/nfs/dbraw/zinc/12/76/63/219127663.db2.gz	MELCLAMYTKAENH-UHFFFAOYSA-N	1	0	348.475	4.733	1	0		EJAFRO
Cc1ccc([C@]2([NH+]3CCN(c4ccccc4)CC3)[C@@H]3C[C@@H](C)C[C@@H]32)cc1	ZINC000101511252	219129697	/nfs/dbraw/zinc/12/96/97/219129697.db2.gz	JIFHMQUTOGFIQI-IQTNHBRPSA-N	1	0	346.518	4.688	1	0		EJAFRO
Fc1cccc(Cl)c1Oc1cccc(F)c1OC1CC[NH2+]CC1	ZINC000066112442	215013969	/nfs/dbraw/zinc/01/39/69/215013969.db2.gz	LGPYPLZSWZJHBL-UHFFFAOYSA-N	1	0	339.769	4.541	1	0		EJAFRO
C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OC(C)(C)c2ccccc21	ZINC000003635209	210068909	/nfs/dbraw/zinc/06/89/09/210068909.db2.gz	BEGCAIREKDZFRP-OAQYLSRUSA-N	1	0	327.443	4.676	1	0		EJAFRO
C[NH+](C)CCO[C@@]1(Cc2ccc(F)cc2)CC[C@@H](C(C)(C)C)CC1	ZINC000102968412	219243956	/nfs/dbraw/zinc/24/39/56/219243956.db2.gz	IPSVMEJXHXKMSE-XGAFWQRZSA-N	1	0	335.507	4.922	1	0		EJAFRO
[NH2+]=C1N[C@@H](c2ccccc2)C[C@H]2CC[C@H](CCCc3ccccc3)N12	ZINC000103262103	219277612	/nfs/dbraw/zinc/27/76/12/219277612.db2.gz	QAIJQWIVKQFYMH-PWRODBHTSA-N	1	0	333.479	4.512	1	0		EJAFRO
COc1ccc2c(c1)[C@@]13CC[C@@H](C)[C@H](C)[C@H]1[C@@H](C2)[N@@H+](CC1CC1)CC3	ZINC000040701141	213372131	/nfs/dbraw/zinc/37/21/31/213372131.db2.gz	LYLOSLVGPAKACS-OCAABVOHSA-N	1	0	339.523	4.656	1	0		EJAFRO
C[C@@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C	ZINC000040461332	213308069	/nfs/dbraw/zinc/30/80/69/213308069.db2.gz	LMMXKLDSSHMZCB-OCAABVOHSA-N	1	0	339.523	4.743	1	0		EJAFRO
C[NH+](C)[C@@H]1CCc2c(c3ccccc3n2Cc2ccc(Cl)cc2)C1	ZINC000039214079	213232024	/nfs/dbraw/zinc/23/20/24/213232024.db2.gz	SVPKTMDKWXYGER-QGZVFWFLSA-N	1	0	338.882	4.762	1	0		EJAFRO
COc1ccc(C[NH+](C)C)c(Oc2ccc(Cl)c(Cl)c2)c1	ZINC000038441544	213209005	/nfs/dbraw/zinc/20/90/05/213209005.db2.gz	BWBOBCUPLKYBOV-UHFFFAOYSA-N	1	0	326.223	4.856	1	0		EJAFRO
COc1c2ccccc2nc(SCC[NH+](C)C)c1-c1ccsc1	ZINC000026376153	202141935	/nfs/dbraw/zinc/14/19/35/202141935.db2.gz	NGCURTNSSNXXSE-UHFFFAOYSA-N	1	0	344.505	4.626	1	0		EJAFRO
c1coc(C2(c3ccco3)C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)c1	ZINC000026648958	202146100	/nfs/dbraw/zinc/14/61/00/202146100.db2.gz	NBYOYACKEDPLKW-SIKLNZKXSA-N	1	0	340.402	4.585	1	0		EJAFRO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCCC[C@H]3C)[C@@H]12	ZINC000028014126	202163632	/nfs/dbraw/zinc/16/36/32/202163632.db2.gz	ADHSKYZRIOAFEG-UOUVBWGTSA-N	1	0	347.543	4.645	1	0		EJAFRO
CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@H]1[NH+](C)C	ZINC000028235066	202168147	/nfs/dbraw/zinc/16/81/47/202168147.db2.gz	OHAAXOABTJKDOB-CVEARBPZSA-N	1	0	343.298	4.609	1	0		EJAFRO
CC[C@H]1CCCC[N@@H+]1CCCC(O)(c1ccccc1)c1ccccc1	ZINC000029554467	202189618	/nfs/dbraw/zinc/18/96/18/202189618.db2.gz	SONPPSJZVAYQBU-QFIPXVFZSA-N	1	0	337.507	4.967	1	0		EJAFRO
Clc1ccc(-c2nc(C[NH2+][C@@H]3C[C@H]4CC[C@@H]3C4)co2)c(Cl)c1	ZINC000072185072	216067664	/nfs/dbraw/zinc/06/76/64/216067664.db2.gz	XCKKTSDUNPCBLA-LYOVBCGYSA-N	1	0	337.250	4.927	1	0		EJAFRO
Cc1c(C2CC[NH2+]CC2)ccnc1O[C@H](C)c1cccc(Cl)c1	ZINC000040937772	202467369	/nfs/dbraw/zinc/46/73/69/202467369.db2.gz	NZCHNSFMTNOSTL-CQSZACIVSA-N	1	0	330.859	4.650	1	0		EJAFRO
COc1ccccc1-c1ccc(CC[C@@H]2CCC[NH2+]C2)c(Cl)c1	ZINC000029560525	212673436	/nfs/dbraw/zinc/67/34/36/212673436.db2.gz	AXCZNRNHTHKVAV-HNNXBMFYSA-N	1	0	329.871	4.948	1	0		EJAFRO
CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC[NH3+])c1ccc(O)cc1	ZINC000029323397	212662278	/nfs/dbraw/zinc/66/22/78/212662278.db2.gz	FHTUZNACYOYMND-RTWAWAEBSA-N	1	0	327.468	4.678	1	0		EJAFRO
COc1ccc(-c2cc3ccccc3nc2SCC[NH+](C)C)cc1	ZINC000026375916	212516543	/nfs/dbraw/zinc/51/65/43/212516543.db2.gz	KEMWSHNCQACLHQ-UHFFFAOYSA-N	1	0	338.476	4.564	1	0		EJAFRO
Clc1ccc(O[C@@H](c2cccnc2)C2CC[NH2+]CC2)c(Cl)c1	ZINC000042966222	202504819	/nfs/dbraw/zinc/50/48/19/202504819.db2.gz	VKEVCZGXCJOVET-QGZVFWFLSA-N	1	0	337.250	4.508	1	0		EJAFRO
CCC[C@@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941608	212337269	/nfs/dbraw/zinc/33/72/69/212337269.db2.gz	HJBNEXUPHCOXDH-UFYCRDLUSA-N	1	0	328.887	4.956	1	0		EJAFRO
C[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2Br)n1	ZINC000072103373	203162414	/nfs/dbraw/zinc/16/24/14/203162414.db2.gz	SQZRTDMIDIDYIM-LRDDRELGSA-N	1	0	349.272	4.772	1	0		EJAFRO
CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1	ZINC000072117153	203164020	/nfs/dbraw/zinc/16/40/20/203164020.db2.gz	QNHVQJNDXQZNAG-UGSOOPFHSA-N	1	0	327.859	4.784	1	0		EJAFRO
c1ccc(COc2ccc3c(c2)CC[N@H+](C2CCCCC2)CC3)cc1	ZINC000103244675	204069280	/nfs/dbraw/zinc/06/92/80/204069280.db2.gz	KWXWOWYXTUGOEM-UHFFFAOYSA-N	1	0	335.491	4.999	1	0		EJAFRO
Clc1cccc(O[C@H](c2ccccn2)C2CC[NH2+]CC2)c1Cl	ZINC000043023134	213552344	/nfs/dbraw/zinc/55/23/44/213552344.db2.gz	PHRPRBMCXLFXOY-KRWDZBQOSA-N	1	0	337.250	4.508	1	0		EJAFRO
COc1ccc2c(c1)[C@@]13CC[C@@H](C)C[C@@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3	ZINC000169361973	533291655	/nfs/dbraw/zinc/29/16/55/533291655.db2.gz	SXJAZXXHMTXUEE-LSUGYDDCSA-N	1	0	339.523	4.800	1	0		EJAFRO
Cc1cccc(C)c1NC(=O)C[C@@H](C)[NH2+]Cc1cccc2ccccc21	ZINC000169308669	226239786	/nfs/dbraw/zinc/23/97/86/226239786.db2.gz	CAKAVJZCCHGNBP-GOSISDBHSA-N	1	0	346.474	4.964	1	0		EJAFRO
Oc1cccc([C@@]23CC[C@@H](C2)[N@H+](CCc2cccc(Cl)c2)CC3)c1	ZINC000169314227	226240929	/nfs/dbraw/zinc/24/09/29/226240929.db2.gz	PRBGTKGBELJOPA-PZJWPPBQSA-N	1	0	341.882	4.784	1	0		EJAFRO
CC/C(C)=C\c1ccnc2c(N[C@H](C)CCC[NH3+])cc(OC)cc12	ZINC000169325909	528761236	/nfs/dbraw/zinc/76/12/36/528761236.db2.gz	CDWUKYZUHBXBGF-QKXCFHHRSA-N	1	0	327.472	4.596	1	0		EJAFRO
Oc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C/C=C\c2ccccc2)CC3)c1	ZINC000066074346	215006774	/nfs/dbraw/zinc/00/67/74/215006774.db2.gz	ZWHGAGOYWHEALB-BDVPDHEMSA-N	1	0	333.475	4.992	1	0		EJAFRO
Cc1cc(N)c2cc(NC(=O)Nc3ccc(C(C)C)cc3)ccc2[nH+]1	ZINC000103236354	219273315	/nfs/dbraw/zinc/27/33/15/219273315.db2.gz	HOQLRJLKHSSAKF-UHFFFAOYSA-N	1	0	334.423	4.893	1	0		EJAFRO
c1ccc(COc2ccc3c(c2)CC[N@@H+](Cc2ccccc2)CC3)cc1	ZINC000103244666	219274243	/nfs/dbraw/zinc/27/42/43/219274243.db2.gz	VVUUNMWXRIBMQT-UHFFFAOYSA-N	1	0	343.470	4.866	1	0		EJAFRO
CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@@]3(C[C@@H]4[NH3+])CC[C@H]12	ZINC000040894476	213397820	/nfs/dbraw/zinc/39/78/20/213397820.db2.gz	LUSCIWPNMAKTHY-TXBWYJBJSA-N	1	0	347.543	4.680	1	0		EJAFRO
CC1(C)O[C@@]2([C@H]3CCC[C@@H](Cc4ccccc4)C3)CC[C@@H]1[C@H]([NH3+])C2	ZINC000085543347	291010935	/nfs/dbraw/zinc/01/09/35/291010935.db2.gz	HZFQAIPMRCBXFO-WXOXAHCZSA-N	1	0	327.512	4.711	1	0	biogenic,in-vitro	EJAFRO
CC1(C)CN([C@@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC[NH2+]1	ZINC000022579013	202087444	/nfs/dbraw/zinc/08/74/44/202087444.db2.gz	YSCQLSNJEINTEZ-FUHWJXTLSA-N	1	0	346.927	4.662	1	0		EJAFRO
Cc1cccc(NC(=O)c2ccccc2Cn2ccc3c[nH+]ccc32)c1	ZINC000028571254	202173083	/nfs/dbraw/zinc/17/30/83/202173083.db2.gz	NDJYMUHSOSYJNC-UHFFFAOYSA-N	1	0	341.414	4.645	1	0		EJAFRO
CCCCNc1ccc(C(=O)OCC[NH+](CCCC)CCCC)cc1	ZINC000029037918	202180989	/nfs/dbraw/zinc/18/09/89/202180989.db2.gz	FUNRREPYAKXTNV-UHFFFAOYSA-N	1	0	348.531	4.958	1	0		EJAFRO
C[C@H]1[C@@H]2CC[C@@H](c3ccccc3)C[N@@H+]2CC[C@@]1(C)c1cccc(O)c1	ZINC000035075191	213006752	/nfs/dbraw/zinc/00/67/52/213006752.db2.gz	RBPDWVPVDMDPMQ-WTYSZDEDSA-N	1	0	335.491	4.938	1	0		EJAFRO
C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000034999996	213004130	/nfs/dbraw/zinc/00/41/30/213004130.db2.gz	RGXBTFPNFYCKOY-ICGULJKJSA-N	1	0	335.491	4.938	1	0		EJAFRO
C[C@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3Cl)n2)C1	ZINC000072101381	216007985	/nfs/dbraw/zinc/00/79/85/216007985.db2.gz	VXRZXKFNHLHAPB-NSHDSACASA-N	1	0	325.239	4.880	1	0		EJAFRO
CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(Cl)c1	ZINC000072114355	216011698	/nfs/dbraw/zinc/01/16/98/216011698.db2.gz	HLXMSIGQPBCGGD-UGSOOPFHSA-N	1	0	327.859	4.784	1	0		EJAFRO
C[N@@H+]1CCC[C@@H]1[C@@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1	ZINC000035273596	202294139	/nfs/dbraw/zinc/29/41/39/202294139.db2.gz	DFCLHAWGKPEFIX-AABGKKOBSA-N	1	0	331.525	4.646	1	0		EJAFRO
CCC(CC)C[NH2+]Cc1coc(-c2ccccc2Br)n1	ZINC000072184584	216066902	/nfs/dbraw/zinc/06/69/02/216066902.db2.gz	NFQQDQCRZDAYOA-UHFFFAOYSA-N	1	0	337.261	4.630	1	0		EJAFRO
Clc1ccc(-c2nc(C[NH2+]C3C4CC5CC(C4)CC3C5)co2)cc1	ZINC000072185750	216067295	/nfs/dbraw/zinc/06/72/95/216067295.db2.gz	BFYDDVPNRGGNMG-UHFFFAOYSA-N	1	0	342.870	4.909	1	0		EJAFRO
Cc1ccc([C@H]([NH3+])[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1	ZINC000022941561	212337448	/nfs/dbraw/zinc/33/74/48/212337448.db2.gz	RKLNXNIBPFCLCX-GOTSBHOMSA-N	1	0	342.486	4.859	1	0		EJAFRO
C[C@H]([NH2+]Cc1coc(-c2ccccc2Br)n1)C(C)(C)C	ZINC000072185262	203183545	/nfs/dbraw/zinc/18/35/45/203183545.db2.gz	QCAOMNVLYYKZFD-NSHDSACASA-N	1	0	337.261	4.628	1	0		EJAFRO
CC(C)(C)c1cc([C@H](O)C[C@@H]2CCCC[NH2+]2)c2cc(Cl)ccc2n1	ZINC000169335263	206552356	/nfs/dbraw/zinc/55/23/56/206552356.db2.gz	SKTCLMAPVFZUBR-KBXCAEBGSA-N	1	0	346.902	4.751	1	0		EJAFRO
Clc1ccc(Oc2cncc(C3=C[C@@H]4C[NH2+]C[C@H](C3)C4)c2)cc1	ZINC000095572885	218438643	/nfs/dbraw/zinc/43/86/43/218438643.db2.gz	GKNSLBAHDKWDHQ-KGLIPLIRSA-N	1	0	326.827	4.540	1	0		EJAFRO
CC(C)(C)c1ccc(SC[C@H](c2c[nH]cn2)C2CC[NH2+]CC2)cc1	ZINC000064553534	214791291	/nfs/dbraw/zinc/79/12/91/214791291.db2.gz	VGVKTKUHIJKMHS-SFHVURJKSA-N	1	0	343.540	4.583	1	0		EJAFRO
[NH2+]=C(Nc1ccc(Cl)cc1)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000100957485	219113007	/nfs/dbraw/zinc/11/30/07/219113007.db2.gz	HVEZIZLFEXLSJC-OAHLLOKOSA-N	1	0	325.843	4.622	1	0		EJAFRO
CC1=CC2=[NH+]C[C@H](C(=O)c3ccc(C4CCCCC4)cc3)CN2C=C1	ZINC000043061136	213555685	/nfs/dbraw/zinc/55/56/85/213555685.db2.gz	YYYOZEUXIZLRGW-FQEVSTJZSA-N	1	0	334.463	4.721	1	0		EJAFRO
CCCc1ccc(-[n+]2c(C)cc3cc(OC)cc(OC)c3c2C)cc1	ZINC000040933664	213401166	/nfs/dbraw/zinc/40/11/66/213401166.db2.gz	DQCZBEFVWMKXGT-UHFFFAOYSA-N	1	0	336.455	4.703	1	0		EJAFRO
C[NH+](C)CCCOc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1	ZINC000040845456	213392758	/nfs/dbraw/zinc/39/27/58/213392758.db2.gz	DAJBZURMACAGTL-UHFFFAOYSA-N	1	0	346.430	4.979	1	0		EJAFRO
c1ccc2c(c1)CCC[C@H]2CCCN1CC[NH+](C2CCCCC2)CC1	ZINC000022931088	202095541	/nfs/dbraw/zinc/09/55/41/202095541.db2.gz	YKRPIOCDRMZEBF-NRFANRHFSA-N	1	0	340.555	4.837	1	0		EJAFRO
Cc1ccc2c(c1)C(C)(C)[C@H]1CC[N@H+]3Cc4ccccc4C[C@H]3[C@H]1N2	ZINC000026731102	202147784	/nfs/dbraw/zinc/14/77/84/202147784.db2.gz	BRTLEVLABXVZDI-NYVOZVTQSA-N	1	0	332.491	4.514	1	0		EJAFRO
c1ccc(SC[C@@]23[NH2+][C@@H](Cc4ccccc42)c2ccccc23)cc1	ZINC000027889839	202162029	/nfs/dbraw/zinc/16/20/29/202162029.db2.gz	SROJYMZCSAUAAA-FCHUYYIVSA-N	1	0	329.468	4.923	1	0		EJAFRO
COc1cc(NCCCCC[C@H](C)[NH2+]C(C)C)c2nccc(C)c2c1	ZINC000028101973	202165869	/nfs/dbraw/zinc/16/58/69/202165869.db2.gz	RNURPBOTZUSPRS-KRWDZBQOSA-N	1	0	343.515	4.911	1	0		EJAFRO
COc1ncccc1[C@@H](C)c1c2ccccc2sc1CC[NH+](C)C	ZINC000035876177	213050396	/nfs/dbraw/zinc/05/03/96/213050396.db2.gz	VDXIBLBHDRKGBK-CQSZACIVSA-N	1	0	340.492	4.561	1	0		EJAFRO
[NH3+][C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl	ZINC000072102463	216008377	/nfs/dbraw/zinc/00/83/77/216008377.db2.gz	ISDDYLQQZJPIMF-GOSISDBHSA-N	1	0	329.230	4.639	1	0		EJAFRO
C[NH2+]Cc1cc(F)c(OC)cc1Oc1ccc(Cl)c(Cl)c1	ZINC000034279959	202273078	/nfs/dbraw/zinc/27/30/78/202273078.db2.gz	IBQGQTKTKQIZKP-UHFFFAOYSA-N	1	0	330.186	4.653	1	0		EJAFRO
C[NH+](C)CCC[C@@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O	ZINC000000347704	209544126	/nfs/dbraw/zinc/54/41/26/209544126.db2.gz	XBNLEWFFGFWJLC-BEFAXECRSA-N	1	0	347.911	4.964	1	0		EJAFRO
Clc1ccc2c(c1)[C@H]1CC[NH2+][C@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000026668034	212529852	/nfs/dbraw/zinc/52/98/52/212529852.db2.gz	SWAXUOIPNPGYRL-STZQEDGTSA-N	1	0	348.877	4.976	1	0		EJAFRO
CC1(C)CN([C@H]2C[C@@H](c3ccsc3)c3ccc(Cl)cc32)CC[NH2+]1	ZINC000022938091	212338292	/nfs/dbraw/zinc/33/82/92/212338292.db2.gz	YSCQLSNJEINTEZ-WMZOPIPTSA-N	1	0	346.927	4.662	1	0		EJAFRO
Cc1ccc([C@](SCC[NH3+])(c2ccccc2)c2cccc(O)c2)cc1	ZINC000095583950	203764350	/nfs/dbraw/zinc/76/43/50/203764350.db2.gz	ZZINFQAUQDZYJA-JOCHJYFZSA-N	1	0	349.499	4.684	1	0		EJAFRO
CC/C(C)=C\c1ccnc2c(N[C@@H](C)CCC[NH3+])cc(OC)cc12	ZINC000169325907	206550932	/nfs/dbraw/zinc/55/09/32/206550932.db2.gz	CDWUKYZUHBXBGF-SZGZABIGSA-N	1	0	327.472	4.596	1	0		EJAFRO
C[NH+](C)Cc1ccc(-c2cccc(-c3ccc(C[NH+](C)C)cc3)n2)cc1	ZINC000005140477	210398615	/nfs/dbraw/zinc/39/86/15/210398615.db2.gz	RFLWYIRYGCLWPB-UHFFFAOYSA-N	1	0	345.490	4.539	1	0		EJAFRO
FC(F)(F)c1ccccc1COCC1(c2ccccc2)CC[NH2+]CC1	ZINC000000018460	208549794	/nfs/dbraw/zinc/54/97/94/208549794.db2.gz	TVOGWRZXEVJDQP-UHFFFAOYSA-N	1	0	349.396	4.543	1	0		EJAFRO
Cc1ccc(N2CC[NH+]([C@@H](C)[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1	ZINC000040918949	132407595	/nfs/dbraw/zinc/40/75/95/132407595.db2.gz	JUUPBTSCNSERAG-BGWNEDDSSA-N	1	0	348.534	4.792	1	0		EJAFRO
C[N+](C)(C)CCCN1c2ccc(O)cc2Sc2ccc(Cl)cc21	ZINC000039208351	717126783	/nfs/dbraw/zinc/12/67/83/717126783.db2.gz	FKZGNJDEHYUJGJ-UHFFFAOYSA-O	1	0	349.907	4.745	1	0		EJAFRO
Cc1ccc(N(Cc2ccccc2)c2ccccc2C[NH+](C)C)c(N)c1	ZINC000053160186	214167469	/nfs/dbraw/zinc/16/74/69/214167469.db2.gz	MFCNYVIQGJNQQJ-UHFFFAOYSA-N	1	0	345.490	4.977	1	0		EJAFRO
c1ccc(C[C@H]2C[NH+]=C(Nc3ccccc3)N2CC2CCCCC2)cc1	ZINC000061959467	214688730	/nfs/dbraw/zinc/68/87/30/214688730.db2.gz	CKZZHUCFYFCMEJ-QFIPXVFZSA-N	1	0	347.506	4.962	3	0		EJAFRO
Clc1ccc([C@]2(OCc3ccccc3)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000101300608	219121947	/nfs/dbraw/zinc/12/19/47/219121947.db2.gz	AOYZUVNFURCEGH-PMOLBWCYSA-N	1	0	327.855	4.667	1	0		EJAFRO
Clc1cccc(O[C@H](c2ccncc2)C2CC[NH2+]CC2)c1Cl	ZINC000043024471	213553849	/nfs/dbraw/zinc/55/38/49/213553849.db2.gz	MGXQLLRKRSAUPY-QGZVFWFLSA-N	1	0	337.250	4.508	1	0		EJAFRO
CO[C@H]1[N+](=O)C(=CCc2cccc3c4ccccc4oc32)CC1(C)C	ZINC000103083149	219254416	/nfs/dbraw/zinc/25/44/16/219254416.db2.gz	ZMRYVDCEJQWEMO-YVNCXZRQSA-N	1	0	335.403	4.953	1	0		EJAFRO
CCc1ccc([C@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1	ZINC000103270935	219280023	/nfs/dbraw/zinc/28/00/23/219280023.db2.gz	UMUSLRLIVUOUJJ-WZYRSQIMSA-N	1	0	335.491	4.980	1	0		EJAFRO
Cc1cccc([C@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(F)cc2)c1	ZINC000103270921	219280399	/nfs/dbraw/zinc/28/03/99/219280399.db2.gz	SGOBSDZEJZRANP-CLAROIROSA-N	1	0	339.454	4.865	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccc(F)cc1)c1cccc(F)c1)C2	ZINC000103271724	219279734	/nfs/dbraw/zinc/27/97/34/219279734.db2.gz	MIJCRUAXIVIMFX-BQJUDKOJSA-N	1	0	343.417	4.696	1	0		EJAFRO
Cc1ccc2c(c1)[C@@H]1CC[NH2+][C@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040460545	213306536	/nfs/dbraw/zinc/30/65/36/213306536.db2.gz	UBWSICCCWLIMEQ-WWPVKYPJSA-N	1	0	328.459	4.631	1	0		EJAFRO
C[C@H](O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1	ZINC000034516834	291013743	/nfs/dbraw/zinc/01/37/43/291013743.db2.gz	POUWXWGBWYDTMW-ZGXWSNOMSA-N	1	0	327.553	4.550	1	0	biogenic,in-vitro	EJAFRO
C[C@@H](O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1	ZINC000034516833	291013078	/nfs/dbraw/zinc/01/30/78/291013078.db2.gz	POUWXWGBWYDTMW-YSTOQKLRSA-N	1	0	327.553	4.550	1	0	biogenic,in-vitro	EJAFRO
Cc1ccc(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)c(C)n1	ZINC000038894426	213229922	/nfs/dbraw/zinc/22/99/22/213229922.db2.gz	JOIFHKHDGMJBSY-QGZVFWFLSA-N	1	0	345.490	4.940	1	0		EJAFRO
[NH2+]=C1c2ccc(OC(F)(F)F)cc2CN1Cc1cccc(Cl)c1	ZINC000028948577	202179604	/nfs/dbraw/zinc/17/96/04/202179604.db2.gz	PVDYHVJORZHHLG-UHFFFAOYSA-N	1	0	340.732	4.580	1	0		EJAFRO
Cc1cccc(CCN2C(Nc3ccccc3)=[NH+]C[C@@H]2CC(C)C)c1	ZINC000036386661	213093696	/nfs/dbraw/zinc/09/36/96/213093696.db2.gz	FQFSXHLXVIFTML-NRFANRHFSA-N	1	0	335.495	4.736	3	0		EJAFRO
CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C)cc3)ccc2[nH+]1	ZINC000036351835	213087944	/nfs/dbraw/zinc/08/79/44/213087944.db2.gz	KQOAPZLBNOPQFR-FMIVXFBMSA-N	1	0	345.446	4.730	1	0		EJAFRO
C[C@H]1C[N@@H+]2C[C@@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075160	213006667	/nfs/dbraw/zinc/00/66/67/213006667.db2.gz	RGXBTFPNFYCKOY-RAKJYXHLSA-N	1	0	335.491	4.938	1	0		EJAFRO
CC[NH+](CC)CCCN1c2cc(F)ccc2CCc2ccc(F)cc21	ZINC000028896083	212642804	/nfs/dbraw/zinc/64/28/04/212642804.db2.gz	MLJOMYBPZUWVIR-UHFFFAOYSA-N	1	0	344.449	4.933	1	0		EJAFRO
Fc1ncc([C@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1-c1ccc(Cl)c(Cl)c1	ZINC000028525991	212622914	/nfs/dbraw/zinc/62/29/14/212622914.db2.gz	MSKFDCSXYJKRMY-HSMVNMDESA-N	1	0	337.225	4.802	1	0		EJAFRO
Cc1cccc([C@H]([NH3+])[C@@H]2CCN2C(c2ccccc2)c2ccccc2)c1	ZINC000022941685	212337972	/nfs/dbraw/zinc/33/79/72/212337972.db2.gz	LUWGCYQSRWNWDN-GOTSBHOMSA-N	1	0	342.486	4.859	1	0		EJAFRO
CCC[C@H](c1ccccc1)N1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941611	212337567	/nfs/dbraw/zinc/33/75/67/212337567.db2.gz	HJBNEXUPHCOXDH-HSALFYBXSA-N	1	0	328.887	4.956	1	0		EJAFRO
CCC[C@@H](c1ccccc1)N1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941614	212337495	/nfs/dbraw/zinc/33/74/95/212337495.db2.gz	HJBNEXUPHCOXDH-SLFFLAALSA-N	1	0	328.887	4.956	1	0		EJAFRO
C[NH+](C)CCCC[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1	ZINC000013436973	211556833	/nfs/dbraw/zinc/55/68/33/211556833.db2.gz	RUNAWWHMBJYHQQ-SIKLNZKXSA-N	1	0	336.479	4.574	1	0		EJAFRO
CCCC[C@H]1CN(c2ccc(Cl)c(C(F)(F)F)c2)CC[C@H]1[NH3+]	ZINC000028821809	135741814	/nfs/dbraw/zinc/74/18/14/135741814.db2.gz	ONVTUIYGLSRBSW-XHDPSFHLSA-N	1	0	334.813	4.703	1	0		EJAFRO
Cc1cc(SCC(=O)c2ccc(Br)cc2)cc(C)[o+]1	ZINC000001641234	560183199	/nfs/dbraw/zinc/18/31/99/560183199.db2.gz	KQKKQVQRQPWHKQ-UHFFFAOYSA-N	1	0	338.246	4.915	1	0	in-vitro	EJAFRO
FC(F)(F)Oc1ccccc1/C=C1\CCN2Cc3ccccc3[NH+]=C12	ZINC000101030308	219114232	/nfs/dbraw/zinc/11/42/32/219114232.db2.gz	WYXZTTITULJJOY-SDNWHVSQSA-N	1	0	344.336	4.918	1	0		EJAFRO
Clc1ccc(CO[C@@]2(c3ccccc3)C[C@H]3CC[C@@H](C2)[NH2+]3)cc1	ZINC000101300569	219121588	/nfs/dbraw/zinc/12/15/88/219121588.db2.gz	LOPJUGWAODIQIC-PMOLBWCYSA-N	1	0	327.855	4.667	1	0		EJAFRO
CCC[NH+](CCC)CCc1ccc(O)c2c1-c1ccccc1CO2	ZINC000013795864	201915523	/nfs/dbraw/zinc/91/55/23/201915523.db2.gz	HLHQKXNSWGPQAK-UHFFFAOYSA-N	1	0	325.452	4.616	1	0		EJAFRO
CC1=CC2=[NH+]C[C@@H](C(=O)c3ccc(C4CCCCC4)cc3)CN2C=C1	ZINC000043061139	213555949	/nfs/dbraw/zinc/55/59/49/213555949.db2.gz	YYYOZEUXIZLRGW-HXUWFJFHSA-N	1	0	334.463	4.721	1	0		EJAFRO
C[C@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@@H]3[C@H]1C	ZINC000040461333	213308357	/nfs/dbraw/zinc/30/83/57/213308357.db2.gz	LMMXKLDSSHMZCB-OTGDXRKGSA-N	1	0	339.523	4.743	1	0		EJAFRO
C[NH+](C)CCSc1nc2ccccc2cc1-c1ccccc1F	ZINC000026378074	202143292	/nfs/dbraw/zinc/14/32/92/202143292.db2.gz	CBNKTAWNKAJRAQ-UHFFFAOYSA-N	1	0	326.440	4.695	1	0		EJAFRO
Clc1ccc(C2=CC[N@H+](CCCCc3ccncc3)CC2)cc1	ZINC000026673969	202146948	/nfs/dbraw/zinc/14/69/48/202146948.db2.gz	QSHYUCHOHNOYKS-UHFFFAOYSA-N	1	0	326.871	4.847	1	0		EJAFRO
c1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@@H]3CCCC[N@H+]32)cc1	ZINC000031829940	202210657	/nfs/dbraw/zinc/21/06/57/202210657.db2.gz	IVCBTXQYHREPNE-MDNUFGMLSA-N	1	0	343.474	4.634	1	0		EJAFRO
CC(C)CN(Cc1cc(C(F)(F)F)ccc1Cl)C1CC[NH2+]CC1	ZINC000036093183	213061827	/nfs/dbraw/zinc/06/18/27/213061827.db2.gz	CTOADRXWRKYLHY-UHFFFAOYSA-N	1	0	348.840	4.569	1	0		EJAFRO
C[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(Cl)cc3Cl)n2)C1	ZINC000072101380	216008195	/nfs/dbraw/zinc/00/81/95/216008195.db2.gz	VXRZXKFNHLHAPB-LLVKDONJSA-N	1	0	325.239	4.880	1	0		EJAFRO
CCOP([NH2+]C1CCCC1)Oc1ccc(Br)cc1	ZINC000072124548	216016271	/nfs/dbraw/zinc/01/62/71/216016271.db2.gz	JDOFDJXUMYLQQL-UHFFFAOYSA-N	1	0	332.178	4.624	1	0		EJAFRO
C[N@@H+]1CCC[C@@H]1[C@@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1	ZINC000035273585	202293417	/nfs/dbraw/zinc/29/34/17/202293417.db2.gz	DFCLHAWGKPEFIX-HSALFYBXSA-N	1	0	331.525	4.646	1	0		EJAFRO
Fc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1	ZINC000072185174	216067723	/nfs/dbraw/zinc/06/77/23/216067723.db2.gz	ISVRVVOGOAWDSU-UHFFFAOYSA-N	1	0	326.415	4.539	1	0		EJAFRO
CCOc1ccc(/C=C/c2cc[n+](C)c3ccccc23)cc1OCC	ZINC000036382841	202323759	/nfs/dbraw/zinc/32/37/59/202323759.db2.gz	BTLGNKRFQBPPSO-ZRDIBKRKSA-N	1	0	334.439	4.632	1	0		EJAFRO
C[NH2+]C1CCC2(CC1)O[C@@H](c1ccc(Cl)cc1)c1ccccc12	ZINC000027709275	212573558	/nfs/dbraw/zinc/57/35/58/212573558.db2.gz	FFKRFBSZJMHBQD-AJPWXKBRSA-N	1	0	327.855	4.817	1	0		EJAFRO
Cc1[nH]nc2nc3c(C)cc(Cl)cc3c(C[NH+]3C4CCC3CC4)c12	ZINC000073195809	216362070	/nfs/dbraw/zinc/36/20/70/216362070.db2.gz	GLKJLVMHRKXJOL-UHFFFAOYSA-N	1	0	340.858	4.508	1	0		EJAFRO
Fc1ccc(CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)cc1	ZINC000001538025	201511470	/nfs/dbraw/zinc/51/14/70/201511470.db2.gz	YFBPOSTXEPVHBZ-UHFFFAOYSA-N	1	0	345.433	4.688	1	0		EJAFRO
Brc1ccc(-c2nc(C[NH2+]C3CCCCCC3)co2)cc1	ZINC000072184740	203183238	/nfs/dbraw/zinc/18/32/38/203183238.db2.gz	VCCOUBRZCCJPMA-UHFFFAOYSA-N	1	0	349.272	4.917	1	0		EJAFRO
Clc1ccsc1-c1nc(C[NH2+]C2C3CC4CC(C3)CC2C4)co1	ZINC000072185242	203183517	/nfs/dbraw/zinc/18/35/17/203183517.db2.gz	WJWVQBDTSZIWSB-UHFFFAOYSA-N	1	0	348.899	4.971	1	0		EJAFRO
[18F]CCC[C@@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21	ZINC000101873922	204025793	/nfs/dbraw/zinc/02/57/93/204025793.db2.gz	GLHFPIWMJOHIPT-GCSHDQMLSA-N	1	0	338.457	4.999	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1cccc(F)c1)C2	ZINC000103258429	204069801	/nfs/dbraw/zinc/06/98/01/204069801.db2.gz	MENSMDAKMYEQCK-BQJUDKOJSA-N	1	0	325.427	4.557	1	0		EJAFRO
CC(C)[NH2+][C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	ZINC000103265775	204071128	/nfs/dbraw/zinc/07/11/28/204071128.db2.gz	OHVWBNWJBQMHPB-IBGZPJMESA-N	1	0	325.843	4.818	1	0		EJAFRO
[NH3+]CCSC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000084709933	217634384	/nfs/dbraw/zinc/63/43/84/217634384.db2.gz	DZJWJRHSMMBHIJ-UHFFFAOYSA-N	1	0	347.483	4.505	1	0		EJAFRO
O[C@H](c1cc(-c2ccccc2)nc(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1	ZINC000169330431	206550725	/nfs/dbraw/zinc/55/07/25/206550725.db2.gz	GRABOXNVJQVTDN-NFBKMPQASA-N	1	0	344.458	4.591	1	0		EJAFRO
COc1ccc2cc(-c3n[nH]cc3C[N@@H+]3C[C@H]4C[C@@H]3CCC4)ccc2c1	ZINC000012430703	211378457	/nfs/dbraw/zinc/37/84/57/211378457.db2.gz	FNSSPPXCRYEEGG-QRWLVFNGSA-N	1	0	347.462	4.613	3	0		EJAFRO
Cc1ccc([C@@](SCC[NH3+])(c2ccccc2)c2cccc(O)c2)cc1	ZINC000095583949	218440782	/nfs/dbraw/zinc/44/07/82/218440782.db2.gz	ZZINFQAUQDZYJA-QFIPXVFZSA-N	1	0	349.499	4.684	1	0		EJAFRO
CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc3[nH]ccc3c2C1	ZINC000013741739	581094188	/nfs/dbraw/zinc/09/41/88/581094188.db2.gz	WUEDXQPULXUQHI-HXUWFJFHSA-N	1	0	332.491	4.980	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(F)c(F)c1)C2	ZINC000103258431	219278269	/nfs/dbraw/zinc/27/82/69/219278269.db2.gz	JBEBJQXFPAMUCH-OOSNJVJTSA-N	1	0	343.417	4.696	1	0		EJAFRO
Cc1cccc([C@@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccc(F)cc2)c1	ZINC000103270923	219280682	/nfs/dbraw/zinc/28/06/82/219280682.db2.gz	SGOBSDZEJZRANP-CBPXPLCBSA-N	1	0	339.454	4.865	1	0		EJAFRO
O[C@@H]1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040576652	213353680	/nfs/dbraw/zinc/35/36/80/213353680.db2.gz	IGMABIWVOAZCKV-PAZWHPHWSA-N	1	0	347.502	4.563	1	0		EJAFRO
Cc1ccc2c(c1F)[C@@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040461370	213307558	/nfs/dbraw/zinc/30/75/58/213307558.db2.gz	WHVXCZHAEQZAPK-GREBRCKQSA-N	1	0	346.449	4.770	1	0		EJAFRO
Cc1c(C2CC[NH2+]CC2)ccnc1O[C@@H](C)c1cccc(Cl)c1	ZINC000040409886	213300196	/nfs/dbraw/zinc/30/01/96/213300196.db2.gz	NZCHNSFMTNOSTL-AWEZNQCLSA-N	1	0	330.859	4.650	1	0		EJAFRO
[NH3+][C@H](Cc1cc(F)ccc1F)c1ccc(-c2ccncc2Cl)cc1	ZINC000040394735	213298015	/nfs/dbraw/zinc/29/80/15/213298015.db2.gz	VNBJBRMNEWHOQK-LJQANCHMSA-N	1	0	344.792	4.923	1	0		EJAFRO
Clc1c[nH]c2c1c(OCC[NH+]1Cc3ccccc3C1)ccc2Cl	ZINC000026154167	202138498	/nfs/dbraw/zinc/13/84/98/202138498.db2.gz	XSKMHRCLPQLQNB-UHFFFAOYSA-N	1	0	347.245	4.869	1	0		EJAFRO
CC[C@H]1CCC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@@H]13	ZINC000026668885	202146882	/nfs/dbraw/zinc/14/68/82/202146882.db2.gz	QWQKLVIKUXAYET-VAFVZNMKSA-N	1	0	339.523	4.800	1	0		EJAFRO
C[C@H]1CCC[C@H](C)[NH+]1CCCC(O)(c1ccccc1)c1ccccc1	ZINC000029556731	202189494	/nfs/dbraw/zinc/18/94/94/202189494.db2.gz	QFRJAOXDPKHKQD-PMACEKPBSA-N	1	0	337.507	4.966	1	0		EJAFRO
CC[C@@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1	ZINC000072117152	216012277	/nfs/dbraw/zinc/01/22/77/216012277.db2.gz	QNHVQJNDXQZNAG-ACJLOTCBSA-N	1	0	327.859	4.784	1	0		EJAFRO
C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1coc(-c3cccc(F)c3)n1)C2(C)C	ZINC000072185521	216067250	/nfs/dbraw/zinc/06/72/50/216067250.db2.gz	FAJQZXYMOIOIHP-KBEZCGTCSA-N	1	0	328.431	4.641	1	0		EJAFRO
C[NH+](C)CCC[C@H]1c2ccccc2Sc2ccc(Cl)cc2[C@H]1O	ZINC000000347703	209544099	/nfs/dbraw/zinc/54/40/99/209544099.db2.gz	XBNLEWFFGFWJLC-KXBFYZLASA-N	1	0	347.911	4.964	1	0		EJAFRO
C[C@@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CC[N@@H+]2CCc1ccccc1	ZINC000028710331	212633109	/nfs/dbraw/zinc/63/31/09/212633109.db2.gz	FJRARMQVERMSNJ-YFXJRYMSSA-N	1	0	335.491	4.767	1	0		EJAFRO
CCC(=O)[C@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C3CCCCC3)cc1)[NH2+]2	ZINC000026570390	212526388	/nfs/dbraw/zinc/52/63/88/212526388.db2.gz	GNESLQYXMBLEBJ-GPQLQYNLSA-N	1	0	325.496	4.938	1	0		EJAFRO
C[C@@H](Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=[NH+]CCN1	ZINC000073311702	216377049	/nfs/dbraw/zinc/37/70/49/216377049.db2.gz	YCFVUTASHGKCKL-QGZVFWFLSA-N	1	0	342.442	4.790	1	0		EJAFRO
CCOc1cccc(-c2nc(C[N@@H+]3CC[C@H]4CCCC[C@@H]4C3)co2)c1	ZINC000072184783	203183609	/nfs/dbraw/zinc/18/36/09/203183609.db2.gz	VJYLSDBMOANOHT-SJLPKXTDSA-N	1	0	340.467	4.752	1	0		EJAFRO
C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CF)c1ccccc12	ZINC000073169220	203258545	/nfs/dbraw/zinc/25/85/45/203258545.db2.gz	HFZMUQSGLRRVPN-JXFKEZNVSA-N	1	0	325.427	4.780	1	0		EJAFRO
CC(C)C[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1	ZINC000019734907	212058192	/nfs/dbraw/zinc/05/81/92/212058192.db2.gz	UDFYSKSCMFCGAE-INIZCTEOSA-N	1	0	327.859	4.784	1	0		EJAFRO
COc1cc2c(cc1OCc1ccccc1)[C@H](c1ccccc1)[NH2+]CC2	ZINC000167647680	533172614	/nfs/dbraw/zinc/17/26/14/533172614.db2.gz	SUHMVDQIBAYLIK-QHCPKHFHSA-N	1	0	345.442	4.509	1	0		EJAFRO
COc1cc2c(cc1OCc1ccccc1)[C@@H](c1ccccc1)[NH2+]CC2	ZINC000167647797	533172794	/nfs/dbraw/zinc/17/27/94/533172794.db2.gz	SUHMVDQIBAYLIK-HSZRJFAPSA-N	1	0	345.442	4.509	1	0		EJAFRO
Cc1cc(C)cc(CO[C@@H]2/C(=C/c3ccccc3)[NH+]3CCC2CC3)c1	ZINC000100713651	219105272	/nfs/dbraw/zinc/10/52/72/219105272.db2.gz	HTLSINNHNFLIHS-AMCKHAKVSA-N	1	0	333.475	4.955	1	0		EJAFRO
FCC[C@@H]1OC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21	ZINC000066259576	215028151	/nfs/dbraw/zinc/02/81/51/215028151.db2.gz	FXNRWJYIQNOTNC-FQEVSTJZSA-N	1	0	331.475	4.989	1	0		EJAFRO
Fc1cc(Cl)ccc1CN1CCC([NH2+]CC2CCCCC2)CC1	ZINC000040895692	213398465	/nfs/dbraw/zinc/39/84/65/213398465.db2.gz	PBIJAWXLPNVFHY-UHFFFAOYSA-N	1	0	338.898	4.613	1	0		EJAFRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CCN(Cc3ccccc3F)CC1)C2	ZINC000040894967	213398380	/nfs/dbraw/zinc/39/83/80/213398380.db2.gz	IGYNDVNFAXCKFQ-ZNLUXHQJSA-N	1	0	344.518	4.595	1	0		EJAFRO
CC[C@H]1CCC[C@]23CC[N@H+](CC4CC4)[C@H](Cc4ccc(OC)cc42)[C@H]13	ZINC000040701121	213372139	/nfs/dbraw/zinc/37/21/39/213372139.db2.gz	QWQKLVIKUXAYET-DWJNZPNVSA-N	1	0	339.523	4.800	1	0		EJAFRO
Clc1ccc2c(c1)[C@@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040461343	213307908	/nfs/dbraw/zinc/30/79/08/213307908.db2.gz	SWAXUOIPNPGYRL-YUXAGFNASA-N	1	0	348.877	4.976	1	0		EJAFRO
CN(C(=O)C[NH2+]C1CCCCC1)[C@H](c1ccccc1)C1CCCCC1	ZINC000026385963	202142434	/nfs/dbraw/zinc/14/24/34/202142434.db2.gz	JBXRMTWBELDQPN-JOCHJYFZSA-N	1	0	342.527	4.689	1	0		EJAFRO
Cc1ccc(-c2cc([C@@H](O)[C@@H]3CCCC[NH2+]3)c3cccc(C)c3n2)cc1	ZINC000027524112	202156518	/nfs/dbraw/zinc/15/65/18/202156518.db2.gz	TWVNOGGCVPRTMP-NZQKXSOJSA-N	1	0	346.474	4.694	1	0		EJAFRO
C[NH2+]CCS[C@@H]1Cc2ccccc2Oc2ccc(SC)cc21	ZINC000027558189	202157054	/nfs/dbraw/zinc/15/70/54/202157054.db2.gz	FNWKNWTUDMPCCI-GOSISDBHSA-N	1	0	331.506	4.751	1	0		EJAFRO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/C[C@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12	ZINC000028360330	202170375	/nfs/dbraw/zinc/17/03/75/202170375.db2.gz	SVFAJETUQHWCFK-BUFPSGLVSA-N	1	0	345.527	4.564	1	0		EJAFRO
C[N@@H+]1CCc2cc(-c3ccc(O)cc3)cc3c2[C@H]1Cc1cccc(O)c1-3	ZINC000029041612	202180365	/nfs/dbraw/zinc/18/03/65/202180365.db2.gz	HQCQVUAWYQYIHX-HXUWFJFHSA-N	1	0	343.426	4.517	1	0		EJAFRO
C[N@@H+]1CCC[C@H]1[C@H]1CS[C@@](c2ccccc2)(C2CCCCC2)O1	ZINC000035274169	213016305	/nfs/dbraw/zinc/01/63/05/213016305.db2.gz	DFCLHAWGKPEFIX-ZCNNSNEGSA-N	1	0	331.525	4.646	1	0		EJAFRO
COc1ccc2c(c1)CC(CC[NH+](C)C)=C2[C@@H](C)c1nc(C)cs1	ZINC000072110281	216010379	/nfs/dbraw/zinc/01/03/79/216010379.db2.gz	DLKPLPXMMLSVDF-CQSZACIVSA-N	1	0	342.508	4.525	1	0		EJAFRO
CCCCCc1cc(O)c2c(c1)O[C@@](C)(C[NH3+])[C@@H]1CC=C(C)C[C@H]21	ZINC000029227177	212657840	/nfs/dbraw/zinc/65/78/40/212657840.db2.gz	GTWVWPZMOZPXKG-FVJLSDCUSA-N	1	0	329.484	4.675	1	0		EJAFRO
Fc1ncc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1-c1ccc(Cl)c(Cl)c1	ZINC000028525990	212622961	/nfs/dbraw/zinc/62/29/61/212622961.db2.gz	MSKFDCSXYJKRMY-WQGACYEGSA-N	1	0	337.225	4.802	1	0		EJAFRO
COc1ccc(C(CCC[NH3+])(c2ccccc2)c2ccccc2)cc1	ZINC000095585803	203763238	/nfs/dbraw/zinc/76/32/38/203763238.db2.gz	IRHHFVBHMPOEPM-UHFFFAOYSA-N	1	0	331.459	4.769	1	0		EJAFRO
CCCCC[C@H]([NH3+])Cc1ccc(OC)c(OCCc2ccccc2)c1	ZINC000013801097	211640445	/nfs/dbraw/zinc/64/04/45/211640445.db2.gz	VUWYZSIDPWQFEC-FQEVSTJZSA-N	1	0	341.495	4.767	1	0		EJAFRO
COc1ccc2c(c1)CC[C@@H](C[NH+]1CCC(Cc3ccccc3)CC1)C2	ZINC000013607250	211592050	/nfs/dbraw/zinc/59/20/50/211592050.db2.gz	JLOHHEBPRUDIKQ-OAQYLSRUSA-N	1	0	349.518	4.755	1	0		EJAFRO
COc1cc2c(cc1[C@H](C)[NH2+]CCc1ccccc1)CCC(C)(C)O2	ZINC000096932111	218901237	/nfs/dbraw/zinc/90/12/37/218901237.db2.gz	YXNHQCHFNKNFBR-INIZCTEOSA-N	1	0	339.479	4.692	1	0		EJAFRO
Cc1nn(C2CC[NH+](Cc3ccccc3)CC2)cc1-c1ccccc1	ZINC000000021390	581093235	/nfs/dbraw/zinc/09/32/35/581093235.db2.gz	RFIMVYUKZRXUJB-UHFFFAOYSA-N	1	0	331.463	4.696	1	0		EJAFRO
Cc1cc2c(cc1C)C[C@@](CC[NH+](C)C)(c1ccc(Cl)cc1)OC2	ZINC000053226579	214171453	/nfs/dbraw/zinc/17/14/53/214171453.db2.gz	CKAYIZBXWANCAU-NRFANRHFSA-N	1	0	343.898	4.877	1	0		EJAFRO
CCc1ccnc2c(N[C@H](C)CCC[NH+](CC)CC)cc(OC)cc12	ZINC000169334217	529634977	/nfs/dbraw/zinc/63/49/77/529634977.db2.gz	MOSDIBORZRAFLL-MRXNPFEDSA-N	1	0	343.515	4.728	1	0		EJAFRO
C[NH+](C)CCCC[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1	ZINC000013436970	201894637	/nfs/dbraw/zinc/89/46/37/201894637.db2.gz	RUNAWWHMBJYHQQ-DENIHFKCSA-N	1	0	336.479	4.574	1	0		EJAFRO
CCc1ccc([C@@H](O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2)cc1	ZINC000103270936	219279909	/nfs/dbraw/zinc/27/99/09/219279909.db2.gz	UMUSLRLIVUOUJJ-AFXVXQJMSA-N	1	0	335.491	4.980	1	0		EJAFRO
CCCC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](CCC)CC3	ZINC000040916834	213399107	/nfs/dbraw/zinc/39/91/07/213399107.db2.gz	PSFOXKHONDMYHK-LJQANCHMSA-N	1	0	349.474	4.924	1	0	in-vivo	EJAFRO
CC(=O)c1ccc2c(c1)/C(=C\[C@@H](C)C[NH+](C)C)c1ccccc1S2	ZINC000040718987	213375248	/nfs/dbraw/zinc/37/52/48/213375248.db2.gz	COESUVGKRQIMBJ-JVVDOCDTSA-N	1	0	337.488	4.983	1	0		EJAFRO
CC[C@@H]1CCC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13	ZINC000040663068	213367105	/nfs/dbraw/zinc/36/71/05/213367105.db2.gz	CYFYRIVKNQIWBN-DZWOVHDNSA-N	1	0	339.523	4.887	1	0		EJAFRO
Clc1ccc2c(c1)[C@@H]1CC[NH2+][C@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040461342	213308220	/nfs/dbraw/zinc/30/82/20/213308220.db2.gz	SWAXUOIPNPGYRL-VLCRHTCISA-N	1	0	348.877	4.976	1	0		EJAFRO
Cc1ccc2c(c1)[C@@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040460546	213306152	/nfs/dbraw/zinc/30/61/52/213306152.db2.gz	UBWSICCCWLIMEQ-AJSBUHFISA-N	1	0	328.459	4.631	1	0		EJAFRO
c1ccc([C@@H]2CC3([NH+]4CCCC4)C[C@@H](c4ccccc4)C2[NH2+]CC3)cc1	ZINC000040424044	213303251	/nfs/dbraw/zinc/30/32/51/213303251.db2.gz	JAUSJLJIGYRGJQ-WOLZVPSQSA-N	1	0	346.518	4.544	1	0		EJAFRO
CCc1ccc2c(c1)[C@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@H]1N2	ZINC000026666741	202146376	/nfs/dbraw/zinc/14/63/76/202146376.db2.gz	YBYORSQYQNBGFQ-QDSKXPNFSA-N	1	0	342.486	4.885	1	0		EJAFRO
Oc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](Cc1ccccc1)CC3	ZINC000027105999	202151825	/nfs/dbraw/zinc/15/18/25/202151825.db2.gz	JYDCTFIFEUMCFH-HXUWFJFHSA-N	1	0	327.427	4.715	1	0		EJAFRO
C[NH2+]CCN(C)c1cc(-c2ccc3ccccc3c2)nc2ccccc21	ZINC000027310398	202153983	/nfs/dbraw/zinc/15/39/83/202153983.db2.gz	HXIPYNNAMYDENF-UHFFFAOYSA-N	1	0	341.458	4.711	1	0		EJAFRO
Oc1cccc([C@]23CCCC[C@H]2C[N@H+](CCc2ccccc2)CC3)c1	ZINC000027636480	202158744	/nfs/dbraw/zinc/15/87/44/202158744.db2.gz	RZQYAGNFCZDLPG-JTHBVZDNSA-N	1	0	335.491	4.769	1	0		EJAFRO
Cc1c(-c2ccccc2)n[nH]c1C1CC[NH+](Cc2ccccc2)CC1	ZINC000028265074	202168326	/nfs/dbraw/zinc/16/83/26/202168326.db2.gz	PJMOAMQVWVRXEQ-UHFFFAOYSA-N	1	0	331.463	4.765	1	0		EJAFRO
C[NH+](C)C1(CCCCC2CCCCC2)COc2ccccc2OC1	ZINC000028821287	202177891	/nfs/dbraw/zinc/17/78/91/202177891.db2.gz	MREDDVDVVADTHB-UHFFFAOYSA-N	1	0	331.500	4.899	1	0		EJAFRO
C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCC[N@@H+]2CCc1ccccc1	ZINC000029056130	202180749	/nfs/dbraw/zinc/18/07/49/202180749.db2.gz	AXHFROQSXZYLLU-NLSFWIRASA-N	1	0	335.491	4.549	1	0		EJAFRO
O=C1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2	ZINC000034751672	212986322	/nfs/dbraw/zinc/98/63/22/212986322.db2.gz	WGWAEYVRQPLOTP-CQNRZJDLSA-N	1	0	345.486	4.771	1	0		EJAFRO
Cc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2[C@H](C)[NH3+])c1	ZINC000072116768	216012611	/nfs/dbraw/zinc/01/26/11/216012611.db2.gz	LZCCCBURXRANOJ-NSHDSACASA-N	1	0	334.250	4.720	1	0		EJAFRO
C[C@H]1[C@@H]2CC[C@H](c3ccccc3)C[N@@H+]2CC[C@@]1(C)c1cccc(O)c1	ZINC000035075161	202286950	/nfs/dbraw/zinc/28/69/50/202286950.db2.gz	RBPDWVPVDMDPMQ-MZGVDSNGSA-N	1	0	335.491	4.938	1	0		EJAFRO
C[C@@H]1[C@H]2C[C@@H](C[C@@H]1[NH2+]Cc1coc(-c3cccc(F)c3)n1)C2(C)C	ZINC000072185520	216066986	/nfs/dbraw/zinc/06/69/86/216066986.db2.gz	FAJQZXYMOIOIHP-OLUCIUBSSA-N	1	0	328.431	4.641	1	0		EJAFRO
C[N@@H+]1C[C@H](CSc2ccccc2)C=C2c3cccc4c3[C@@H](CN4)C[C@H]21	ZINC000029317850	212661742	/nfs/dbraw/zinc/66/17/42/212661742.db2.gz	OONDWRMFJIXGII-WHSLLNHNSA-N	1	0	348.515	4.705	1	0		EJAFRO
C[C@H]1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CC[N@@H+]2CCc1ccccc1	ZINC000013781522	211637629	/nfs/dbraw/zinc/63/76/29/211637629.db2.gz	FJRARMQVERMSNJ-OFAXGOBFSA-N	1	0	335.491	4.767	1	0		EJAFRO
Cc1ccccc1NC(=O)O[C@@H](CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000013684756	211609568	/nfs/dbraw/zinc/60/95/68/211609568.db2.gz	QGAVDJOAEACFHM-SFHVURJKSA-N	1	0	346.858	4.890	1	0		EJAFRO
[NH3+]C[C@@H]1c2ccccc2Cc2cc(CCCc3ccccc3)ccc21	ZINC000013536434	211573751	/nfs/dbraw/zinc/57/37/51/211573751.db2.gz	QOBMUVKZVJNUHV-XMMPIXPASA-N	1	0	327.471	4.857	1	0		EJAFRO
Fc1ncc([C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)cc1-c1ccc(C(F)(F)F)cc1	ZINC000095556001	218436192	/nfs/dbraw/zinc/43/61/92/218436192.db2.gz	VKYSIJWKGXVHKX-YCPHGPKFSA-N	1	0	336.332	4.514	1	0		EJAFRO
[NH2+]=c1c2c(n(Cc3ccc(Cl)cc3Cl)c3c1CCCC3)CCC2	ZINC000004142447	210131073	/nfs/dbraw/zinc/13/10/73/210131073.db2.gz	OZJZAHYJFKHRHA-UHFFFAOYSA-N	1	0	347.289	4.690	3	0		EJAFRO
CSc1ccc2c(c1)C([C@H](C)c1ccccn1)=C(CC[NH+](C)C)C2	ZINC000013493461	201897424	/nfs/dbraw/zinc/89/74/24/201897424.db2.gz	SOZIYETWMOLCLB-OAHLLOKOSA-N	1	0	338.520	4.869	1	0		EJAFRO
CCC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1	ZINC000066099040	215010389	/nfs/dbraw/zinc/01/03/89/215010389.db2.gz	QMNIWLSHBOAIRC-UHFFFAOYSA-N	1	0	338.451	4.777	1	0		EJAFRO
Fc1ccc(-c2[nH]c3cc(F)ccc3c2[C@@H]2C[NH2+]CC[C@H]2F)cc1	ZINC000013862750	201920182	/nfs/dbraw/zinc/92/01/82/201920182.db2.gz	HXEXYULSUCMWPN-HZPDHXFCSA-N	1	0	330.353	4.528	1	0		EJAFRO
C[NH+](C)C[C@@H]1Cc2ccccc2[C@@H]1Oc1ccc(C(F)(F)F)cc1	ZINC000003777600	210074971	/nfs/dbraw/zinc/07/49/71/210074971.db2.gz	UDDSGRJSILNSQD-KBXCAEBGSA-N	1	0	335.369	4.559	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](N[C@@H](c1ccccc1)c1ccc(Cl)cc1)C2	ZINC000103238155	219273546	/nfs/dbraw/zinc/27/35/46/219273546.db2.gz	NIYGPRSVPKAIKA-WOZUAGRISA-N	1	0	340.898	4.644	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccccc1F)C2	ZINC000103267902	219278784	/nfs/dbraw/zinc/27/87/84/219278784.db2.gz	FLMFVONYZLSMMT-OOSNJVJTSA-N	1	0	325.427	4.557	1	0		EJAFRO
O=C1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040764327	213384527	/nfs/dbraw/zinc/38/45/27/213384527.db2.gz	WGWAEYVRQPLOTP-WXYTXABISA-N	1	0	345.486	4.771	1	0		EJAFRO
Cc1ccc([C@@H]2[C@H](OCc3ccccc3)COCN2CC(C)C)cc1	ZINC000040430765	213303052	/nfs/dbraw/zinc/30/30/52/213303052.db2.gz	SKFAIAVOXILLIZ-FGZHOGPDSA-N	1	0	339.479	4.567	1	0		EJAFRO
C[C@H](O)CCCCCCCCCCCC[C@H]1CC[C@H](O)[C@@H](C)[NH2+]1	ZINC000084153833	291013745	/nfs/dbraw/zinc/01/37/45/291013745.db2.gz	POUWXWGBWYDTMW-YRPNKDGESA-N	1	0	327.553	4.550	1	0	biogenic,in-vitro	EJAFRO
C(C[N@@H+]1CCCC[C@H]1C12CC3CC(CC(C3)C1)C2)N1CCCCC1	ZINC000022039955	202077940	/nfs/dbraw/zinc/07/79/40/202077940.db2.gz	XIFDFNPXYSKKEK-DLBGWFIVSA-N	1	0	330.560	4.543	1	0		EJAFRO
Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CC[N@@H+]1CCc1ccccc1	ZINC000026658995	202146325	/nfs/dbraw/zinc/14/63/25/202146325.db2.gz	LSTHMGDZXZATNR-VXNXHJTFSA-N	1	0	347.502	4.693	1	0		EJAFRO
CC(C)c1noc([C@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)[N@@H+]3C)n1	ZINC000036270965	213080041	/nfs/dbraw/zinc/08/00/41/213080041.db2.gz	ZHQNCBQDCXZZPA-WCXIOVBPSA-N	1	0	345.874	4.580	1	0		EJAFRO
C[C@H](c1c2ccccc2sc1CC[NH+](C)C)c1ncccc1F	ZINC000035906132	213051632	/nfs/dbraw/zinc/05/16/32/213051632.db2.gz	GETROLYXSDDSDH-CYBMUJFWSA-N	1	0	328.456	4.691	1	0		EJAFRO
C[C@H]1C[N@@H+]2C[C@@H](c3ccccc3)CC[C@@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075159	213006900	/nfs/dbraw/zinc/00/69/00/213006900.db2.gz	RGXBTFPNFYCKOY-VARILPKDSA-N	1	0	335.491	4.938	1	0		EJAFRO
Cc1ccc(C)n1C[C@]12C[C@@]1(c1ccc(Cl)c(Cl)c1)CC[NH2+]C2	ZINC000072140872	216027261	/nfs/dbraw/zinc/02/72/61/216027261.db2.gz	AFOUVNVDHQZVBK-RTBURBONSA-N	1	0	349.305	4.733	1	0		EJAFRO
Cc1ccc2c(c1)[C@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@H]1N2	ZINC000026672530	212531113	/nfs/dbraw/zinc/53/11/13/212531113.db2.gz	UBWSICCCWLIMEQ-OIBXWCBGSA-N	1	0	328.459	4.631	1	0		EJAFRO
CC[NH+]1CCC2(CC1)c1ccccc1Oc1ccc(Cl)cc1C2=O	ZINC000060051768	202779021	/nfs/dbraw/zinc/77/90/21/202779021.db2.gz	RKAFPLRAPNKGNJ-UHFFFAOYSA-N	1	0	341.838	4.682	1	0		EJAFRO
Cc1cccc(Cn2c3ccc(C(F)(F)F)cc3nc2C(C)(C)[NH3+])c1	ZINC000072117091	203163360	/nfs/dbraw/zinc/16/33/60/203163360.db2.gz	LTNBLABBWZOKNY-UHFFFAOYSA-N	1	0	347.384	4.606	1	0		EJAFRO
Cc1ccc(N2CC[NH+]([C@H](C)[C@H]3C[C@]3(C)c3ccccc3)CC2)c(C)c1	ZINC000040421407	132399640	/nfs/dbraw/zinc/39/96/40/132399640.db2.gz	JUUPBTSCNSERAG-KIFXHHALSA-N	1	0	348.534	4.792	1	0		EJAFRO
Cc1cccc(C)c1NC(=O)[C@@H](C)[NH2+]Cc1cccc2ccccc21	ZINC000169308656	226239841	/nfs/dbraw/zinc/23/98/41/226239841.db2.gz	HLQWEPQMMQDNLI-QGZVFWFLSA-N	1	0	332.447	4.573	1	0		EJAFRO
Cc1ccc2nc(-c3ccccc3)cc([C@H](O)C[C@@H]3CCCC[NH2+]3)c2c1	ZINC000169334683	226545447	/nfs/dbraw/zinc/54/54/47/226545447.db2.gz	JFIDDWZDVLUWQJ-FDDCHVKYSA-N	1	0	346.474	4.776	1	0		EJAFRO
CC[C@]1(CCC[NH2+]C)Cc2ccccc2N(c2ccc(C)cc2)C1=O	ZINC000028528557	535946139	/nfs/dbraw/zinc/94/61/39/535946139.db2.gz	IHBSSBISPQPZFN-QFIPXVFZSA-N	1	0	336.479	4.612	1	0		EJAFRO
S=c1cc(-c2ccc(OCC[n+]3ccccc3)cc2)ss1	ZINC000053229572	214171725	/nfs/dbraw/zinc/17/17/25/214171725.db2.gz	CIUKHIQNPGWVSR-UHFFFAOYSA-N	1	0	332.495	4.573	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccccc1F)C2	ZINC000100834239	219108712	/nfs/dbraw/zinc/10/87/12/219108712.db2.gz	FLMFVONYZLSMMT-OEMYIYORSA-N	1	0	325.427	4.557	1	0		EJAFRO
[18F]CCC[C@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21	ZINC000101873924	219168974	/nfs/dbraw/zinc/16/89/74/219168974.db2.gz	GLHFPIWMJOHIPT-ARGPEUEPSA-N	1	0	338.457	4.999	1	0		EJAFRO
C[C@@H]1[C@@H](O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000003902379	210088942	/nfs/dbraw/zinc/08/89/42/210088942.db2.gz	BPCLELONGIWKCR-CITFOPHVSA-N	1	0	336.262	4.766	1	0		EJAFRO
FCC[C@H]1OC2(CC[NH+](Cc3ccc(F)cc3)CC2)c2ccccc21	ZINC000066258249	215028175	/nfs/dbraw/zinc/02/81/75/215028175.db2.gz	VMHRVUVGXYYBON-HXUWFJFHSA-N	1	0	343.417	4.748	1	0		EJAFRO
CC[C@H]1CCC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]13	ZINC000040663070	213367207	/nfs/dbraw/zinc/36/72/07/213367207.db2.gz	CYFYRIVKNQIWBN-DWJNZPNVSA-N	1	0	339.523	4.887	1	0		EJAFRO
COc1ccc2c(c1OC)[C@H](Cc1ccc3ccccc3c1)[N@@H+](C)CC2	ZINC000040575614	213354329	/nfs/dbraw/zinc/35/43/29/213354329.db2.gz	QYYPOAREJDFVDK-FQEVSTJZSA-N	1	0	347.458	4.629	1	0		EJAFRO
COc1ccc2c(c1)[C@@]13CC[C@@H](C)C[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3	ZINC000040461388	213308167	/nfs/dbraw/zinc/30/81/67/213308167.db2.gz	SXJAZXXHMTXUEE-WBLPJHHHSA-N	1	0	339.523	4.800	1	0		EJAFRO
C[C@@H]1CC[C@]23CC[N@H+](CC4CCC4)[C@H](Cc4ccc(O)cc42)[C@H]3[C@H]1C	ZINC000040461334	213308080	/nfs/dbraw/zinc/30/80/80/213308080.db2.gz	LMMXKLDSSHMZCB-AOSFDVDRSA-N	1	0	339.523	4.743	1	0		EJAFRO
COc1cc2cc(C)[n+](-c3ccc(C(C)C)cc3)c(C)c2c(OC)c1	ZINC000040410815	213299764	/nfs/dbraw/zinc/29/97/64/213299764.db2.gz	PMYAANPMZDEOPH-UHFFFAOYSA-N	1	0	336.455	4.874	1	0		EJAFRO
CC(=O)c1cccc(-c2ccc3c(c2)CC[C@]24C[N@H+](C)C[C@H]2CC[C@@H]34)c1	ZINC000038248659	213205880	/nfs/dbraw/zinc/20/58/80/213205880.db2.gz	AAYGPIMYNPLWPB-NHTMILBNSA-N	1	0	345.486	4.928	1	0		EJAFRO
CN(C(=O)C[NH2+]C1CCCCC1)[C@@H](c1ccccc1)C1CCCCC1	ZINC000026385967	202142424	/nfs/dbraw/zinc/14/24/24/202142424.db2.gz	JBXRMTWBELDQPN-QFIPXVFZSA-N	1	0	342.527	4.689	1	0		EJAFRO
COc1ccc2c(c1)c1c(n2Cc2ccccc2)CCC[C@@H]1C[NH+](C)C	ZINC000026671372	202146832	/nfs/dbraw/zinc/14/68/32/202146832.db2.gz	RLXHAWJOGOMQQU-GOSISDBHSA-N	1	0	348.490	4.680	1	0		EJAFRO
CCSc1sc(C(N)=[NH2+])cc1-c1nc(-c2ccccc2)cs1	ZINC000026830505	202148621	/nfs/dbraw/zinc/14/86/21/202148621.db2.gz	LCFWLZQDVKEWFJ-UHFFFAOYSA-N	1	0	345.518	4.935	1	0		EJAFRO
C[NH+](C)C[C@@H]1CCc2cccc3c4c(n1c32)-c1ccccc1SC4	ZINC000028096163	202165278	/nfs/dbraw/zinc/16/52/78/202165278.db2.gz	OSAGWDXLTCRPFK-HNNXBMFYSA-N	1	0	334.488	4.963	1	0		EJAFRO
Fc1cccc(CC2=[NH+][C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1	ZINC000028133848	202165416	/nfs/dbraw/zinc/16/54/16/202165416.db2.gz	RBNSMUIBIJELNJ-SZPZYZBQSA-N	1	0	330.406	4.853	1	0		EJAFRO
CCCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1[NH+](C)C	ZINC000028235713	202167972	/nfs/dbraw/zinc/16/79/72/202167972.db2.gz	ZKLIUIHGSFOUDG-HZPDHXFCSA-N	1	0	343.298	4.609	1	0		EJAFRO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@@H]3CCC(C)(C)[N@@H+]3C)[C@@H]12	ZINC000028347058	202170710	/nfs/dbraw/zinc/17/07/10/202170710.db2.gz	GGJSWQALDWFCMN-BCNVYZLRSA-N	1	0	347.543	4.643	1	0		EJAFRO
C[NH+]1CCC(c2cc(-c3cccnc3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028471982	202171704	/nfs/dbraw/zinc/17/17/04/202171704.db2.gz	VNYKDJRMMUJRJO-UHFFFAOYSA-N	1	0	335.426	4.692	1	0		EJAFRO
Fc1c(F)c(F)c([C@@H]2C[N@@H+]3CCC[C@@H]3c3ccccc32)c(F)c1F	ZINC000029235743	202183484	/nfs/dbraw/zinc/18/34/84/202183484.db2.gz	WWPPRIFZHGLNFP-VXGBXAGGSA-N	1	0	339.307	4.665	1	0		EJAFRO
Fc1ccc(-c2[nH]c(C[NH+]3CCCCC3)cc2-c2ccncc2)cc1	ZINC000036161019	213074702	/nfs/dbraw/zinc/07/47/02/213074702.db2.gz	GNDZYWUOKIJMKG-UHFFFAOYSA-N	1	0	335.426	4.869	1	0		EJAFRO
CC[C@@H](C)[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(Cl)c1	ZINC000072114354	216011033	/nfs/dbraw/zinc/01/10/33/216011033.db2.gz	HLXMSIGQPBCGGD-ACJLOTCBSA-N	1	0	327.859	4.784	1	0		EJAFRO
CCCC[N@H+](Cc1coc(-c2ccc(O)cc2)n1)Cc1ccccc1	ZINC000072102848	216008090	/nfs/dbraw/zinc/00/80/90/216008090.db2.gz	XWXPSMCTWMBLDR-UHFFFAOYSA-N	1	0	336.435	4.850	1	0		EJAFRO
C[C@H]([NH3+])c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1	ZINC000072118295	216012217	/nfs/dbraw/zinc/01/22/17/216012217.db2.gz	GVUCDKIVMDFVHK-VIFPVBQESA-N	1	0	338.213	4.550	1	0		EJAFRO
CCCC(=O)Nc1cccc2c1-c1cccc3c1[C@@H](C2)[N@H+](CCC)CC3	ZINC000072178424	216066106	/nfs/dbraw/zinc/06/61/06/216066106.db2.gz	PYWGTMQDLFOTAB-HXUWFJFHSA-N	1	0	348.490	4.958	1	0		EJAFRO
CC(C)C[C@H]([NH3+])c1nccc2c3ccc(Br)cc3[nH]c21	ZINC000015209744	201058448	/nfs/dbraw/zinc/05/84/48/201058448.db2.gz	PWUUECLZOMPMHQ-ZDUSSCGKSA-N	1	0	332.245	4.525	1	0		EJAFRO
CCC[C@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941605	212338032	/nfs/dbraw/zinc/33/80/32/212338032.db2.gz	HJBNEXUPHCOXDH-AABGKKOBSA-N	1	0	328.887	4.956	1	0		EJAFRO
[NH3+][C@@H](c1cccc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1	ZINC000022941552	212337765	/nfs/dbraw/zinc/33/77/65/212337765.db2.gz	JQJQPLYCAMQPAS-VXKWHMMOSA-N	1	0	346.449	4.689	1	0		EJAFRO
C(C[N@@H+]1CCCC[C@@H]1C12CC3CC(CC(C3)C1)C2)N1CCCCC1	ZINC000022039959	212272676	/nfs/dbraw/zinc/27/26/76/212272676.db2.gz	XIFDFNPXYSKKEK-SWXIYASGSA-N	1	0	330.560	4.543	1	0		EJAFRO
Cc1cccc(Cn2c3cc(Cl)c(Cl)cc3nc2C(C)(C)[NH3+])c1	ZINC000072118615	203164043	/nfs/dbraw/zinc/16/40/43/203164043.db2.gz	XAAVILIEWMKVDD-UHFFFAOYSA-N	1	0	348.277	4.894	1	0		EJAFRO
CC(C)[NH2+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	ZINC000103265776	204070164	/nfs/dbraw/zinc/07/01/64/204070164.db2.gz	OHVWBNWJBQMHPB-LJQANCHMSA-N	1	0	325.843	4.818	1	0		EJAFRO
[NH3+]CCS[C@@](Cc1ccccc1)(c1ccccc1)c1ccc(O)cc1	ZINC000084653511	217626913	/nfs/dbraw/zinc/62/69/13/217626913.db2.gz	CFENRMXBRFSGKL-QFIPXVFZSA-N	1	0	349.499	4.570	1	0		EJAFRO
C[C@@H](C1=C(CC[NH+](C)C)Cc2ccc(Cl)cc21)c1ccccn1	ZINC000013493458	211568006	/nfs/dbraw/zinc/56/80/06/211568006.db2.gz	LQOJFNRTYZDTBR-CQSZACIVSA-N	1	0	326.871	4.800	1	0		EJAFRO
CC(C)(C)c1cc([C@@H](O)C[C@H]2CCCC[NH2+]2)c2cc(Cl)ccc2n1	ZINC000169335267	526759391	/nfs/dbraw/zinc/75/93/91/526759391.db2.gz	SKTCLMAPVFZUBR-KDOFPFPSSA-N	1	0	346.902	4.751	1	0		EJAFRO
C[NH+](C)C[C@@H]1Cc2cccc3c2N(C1)c1cc(Cl)ccc1S3	ZINC000027989845	535949325	/nfs/dbraw/zinc/94/93/25/535949325.db2.gz	FGCQNFBBJWXWOP-LBPRGKRZSA-N	1	0	330.884	4.677	1	0		EJAFRO
CSc1sc(C(N)=[NH2+])cc1-c1csc(-c2ccccc2)n1	ZINC000028770260	581096615	/nfs/dbraw/zinc/09/66/15/581096615.db2.gz	GDERVCXRALFKIF-UHFFFAOYSA-N	1	0	331.491	4.545	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(F)cc1)C2	ZINC000100834268	219108437	/nfs/dbraw/zinc/10/84/37/219108437.db2.gz	UZEZLUPDWQLMSD-IVAOSVALSA-N	1	0	325.427	4.557	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(c1cccc(F)c1)c1cccc(F)c1)C2	ZINC000100834210	219108880	/nfs/dbraw/zinc/10/88/80/219108880.db2.gz	REWRBJXOTYIRQA-PMOLBWCYSA-N	1	0	343.417	4.696	1	0		EJAFRO
C[N@@H+]1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1	ZINC000066252660	215027841	/nfs/dbraw/zinc/02/78/41/215027841.db2.gz	CXFFUFSJNZALTH-UHFFFAOYSA-N	1	0	336.866	4.845	1	0		EJAFRO
FCC[C@@H]1OC2(CC[NH+](Cc3ccccc3)CC2)c2ccccc21	ZINC000066259349	215028263	/nfs/dbraw/zinc/02/82/63/215028263.db2.gz	LDFPQKADFLEDQV-FQEVSTJZSA-N	1	0	325.427	4.609	1	0		EJAFRO
C[C@@H]1CCC[N@H+](CCCOCCOc2ccc(C(C)(C)C)cc2)C1	ZINC000040916491	213399730	/nfs/dbraw/zinc/39/97/30/213399730.db2.gz	DNZUFCFCFMMTOY-GOSISDBHSA-N	1	0	333.516	4.502	1	0		EJAFRO
Cn1cc[n+](C)c1/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000040393105	213296584	/nfs/dbraw/zinc/29/65/84/213296584.db2.gz	RLWMALZOEDKTBS-VMPITWQZSA-N	1	0	334.226	4.587	1	0		EJAFRO
CC(C)(C)C1(O)CC[NH+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000039240600	213233394	/nfs/dbraw/zinc/23/33/94/213233394.db2.gz	HIYDGURNTXOWEV-UHFFFAOYSA-N	1	0	337.507	4.692	1	0		EJAFRO
C[NH+](C)CCSc1nc2ccccc2cc1-c1cccc(F)c1	ZINC000026379732	202142914	/nfs/dbraw/zinc/14/29/14/202142914.db2.gz	DGNXQKRCVCFMIX-UHFFFAOYSA-N	1	0	326.440	4.695	1	0		EJAFRO
CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccccc2)n1	ZINC000028005636	202164233	/nfs/dbraw/zinc/16/42/33/202164233.db2.gz	BOBLTMKWXURBGT-UHFFFAOYSA-N	1	0	346.506	4.621	1	0		EJAFRO
O=C1CC2([NH+]3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000035076153	213006418	/nfs/dbraw/zinc/00/64/18/213006418.db2.gz	WGWAEYVRQPLOTP-MNZGCLKASA-N	1	0	345.486	4.771	1	0		EJAFRO
COc1ccccc1-c1ccc(OCCC[NH+]2CCCCC2)cc1	ZINC000072179461	216066509	/nfs/dbraw/zinc/06/65/09/216066509.db2.gz	QCBWHGJPALSFJR-UHFFFAOYSA-N	1	0	325.452	4.617	1	0		EJAFRO
CC(C)(C)C[NH2+]Cc1coc(-c2ccc(OCC(C)(C)C)cc2)n1	ZINC000072180115	216065816	/nfs/dbraw/zinc/06/58/16/216065816.db2.gz	IWWNNUVWGFGIPL-UHFFFAOYSA-N	1	0	330.472	4.902	1	0		EJAFRO
CCC[C@@]1(c2ccccc2)OCC[C@@H](CC[NH2+]Cc2ccccc2)O1	ZINC000095556869	203760441	/nfs/dbraw/zinc/76/04/41/203760441.db2.gz	HFZOBSUDNHIYLN-FGZHOGPDSA-N	1	0	339.479	4.625	1	0		EJAFRO
F[C@@H]1CC[NH2+]C[C@H]1c1c2cccc(Cl)c2[nH]c1-c1ccccc1	ZINC000013862741	211654181	/nfs/dbraw/zinc/65/41/81/211654181.db2.gz	BTWSXWRYWXPDBK-GDBMZVCRSA-N	1	0	328.818	4.903	1	0		EJAFRO
O[C@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000169355010	206554214	/nfs/dbraw/zinc/55/42/14/206554214.db2.gz	IGMABIWVOAZCKV-JBRXAOCBSA-N	1	0	347.502	4.563	1	0		EJAFRO
O[C@@H](C[C@H]1CCCC[NH2+]1)c1cc(C2CCCCC2)nc2ccccc21	ZINC000169338235	226547336	/nfs/dbraw/zinc/54/73/36/226547336.db2.gz	MOFFQUCALPVKEH-VGSWGCGISA-N	1	0	338.495	4.848	1	0		EJAFRO
C[NH2+]C[C@H]1CC[C@H]2[C@H](c3ccccc3)Nc3ccc(C4CC4)cc3[C@H]2O1	ZINC000049035287	581097440	/nfs/dbraw/zinc/09/74/40/581097440.db2.gz	QQEWASHPOIZWPU-FUKQBSRTSA-N	1	0	348.490	4.787	1	0		EJAFRO
Cc1cc2c(cc1C)C[C@](CC[NH+](C)C)(c1ccc(Cl)cc1)OC2	ZINC000053226577	214171277	/nfs/dbraw/zinc/17/12/77/214171277.db2.gz	CKAYIZBXWANCAU-OAQYLSRUSA-N	1	0	343.898	4.877	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc(F)cc1)C2	ZINC000103269388	219280267	/nfs/dbraw/zinc/28/02/67/219280267.db2.gz	UZEZLUPDWQLMSD-BQJUDKOJSA-N	1	0	325.427	4.557	1	0		EJAFRO
C[n+]1ccccc1/C=C/c1ccc(-c2ccc(Br)cc2)o1	ZINC000040865513	213394646	/nfs/dbraw/zinc/39/46/46/213394646.db2.gz	YVYBIVBFUYIQAZ-MDZDMXLPSA-N	1	0	341.228	4.704	1	0		EJAFRO
O[C@@H]1CC2([NH+]3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2	ZINC000040576654	213353713	/nfs/dbraw/zinc/35/37/13/213353713.db2.gz	IGMABIWVOAZCKV-LXDQLMLUSA-N	1	0	347.502	4.563	1	0		EJAFRO
CCc1ccc2c(c1)[C@H]1CC[NH2+][C@H](Cc3cccc4ccccc43)[C@H]1N2	ZINC000026666732	202147141	/nfs/dbraw/zinc/14/71/41/202147141.db2.gz	YBYORSQYQNBGFQ-HUVFLSCGSA-N	1	0	342.486	4.885	1	0		EJAFRO
Cc1cc(C)cc(CO[C@H]2C3CC[NH+](CC3)[C@@H]2Cc2ccccc2)c1	ZINC000027546807	202156582	/nfs/dbraw/zinc/15/65/82/202156582.db2.gz	XSUZGCYNKOVZIW-PKTZIBPZSA-N	1	0	335.491	4.526	1	0		EJAFRO
Cc1ccc(O)c([C@@H](CC[N@H+]2C[C@]3(C)C[C@]3(C)C2)c2ccccc2)c1	ZINC000028474259	202171519	/nfs/dbraw/zinc/17/15/19/202171519.db2.gz	IGDUYYPNRWRNRT-AJSBUHFISA-N	1	0	335.491	4.955	1	0		EJAFRO
C[C@H]1[C@H]2CC[C@@H](c3ccccc3)C[N@@H+]2CC[C@@]1(C)c1cccc(O)c1	ZINC000035075192	213006830	/nfs/dbraw/zinc/00/68/30/213006830.db2.gz	RBPDWVPVDMDPMQ-FEWCVYDTSA-N	1	0	335.491	4.938	1	0		EJAFRO
Cc1cc([C@@H]2[C@H]3CC[C@@H](C[C@@H]2c2ccc(Cl)c(C)c2)[N@H+]3C)on1	ZINC000072106031	216009804	/nfs/dbraw/zinc/00/98/04/216009804.db2.gz	ZSEXNBSYJGXEIW-MGTHKWJCSA-N	1	0	330.859	4.679	1	0		EJAFRO
CCCCn1c(C[NH3+])c(-c2ccccc2)c2cc(Cl)ccc2c1=O	ZINC000072141570	216027088	/nfs/dbraw/zinc/02/70/88/216027088.db2.gz	VUEXKJSRWVARLI-UHFFFAOYSA-N	1	0	340.854	4.581	1	0		EJAFRO
C[C@@H]1CC(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)=CC[N@@H+]1C	ZINC000034008027	202271100	/nfs/dbraw/zinc/27/11/00/202271100.db2.gz	KATGXKGSQXAWIA-OAHLLOKOSA-N	1	0	347.437	4.990	1	0		EJAFRO
Clc1ccc(-c2nc(C[NH2+][C@H]3C[C@H]4CC[C@@H]3C4)co2)c(Cl)c1	ZINC000072185073	216067316	/nfs/dbraw/zinc/06/73/16/216067316.db2.gz	XCKKTSDUNPCBLA-USBNGQNGSA-N	1	0	337.250	4.927	1	0		EJAFRO
C[C@@H]([NH2+]Cc1coc(-c2ccccc2Br)n1)C(C)(C)C	ZINC000072185263	216067549	/nfs/dbraw/zinc/06/75/49/216067549.db2.gz	QCAOMNVLYYKZFD-LLVKDONJSA-N	1	0	337.261	4.628	1	0		EJAFRO
C[C@H]1C[N@H+](C[C@H]2C[C@@H]2c2ccccc2)CC[C@@]1(C)c1cccc(O)c1	ZINC000026150615	212509266	/nfs/dbraw/zinc/50/92/66/212509266.db2.gz	ZBKMHZDNQWQSNM-FEWCVYDTSA-N	1	0	335.491	4.795	1	0		EJAFRO
C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CF)c1ccccc12	ZINC000073169224	216359988	/nfs/dbraw/zinc/35/99/88/216359988.db2.gz	HFZMUQSGLRRVPN-OXJNMPFZSA-N	1	0	325.427	4.780	1	0		EJAFRO
Fc1ccc(CCCC[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1	ZINC000073240518	216367751	/nfs/dbraw/zinc/36/77/51/216367751.db2.gz	ARWONURFSGKTJW-UHFFFAOYSA-N	1	0	346.877	4.624	1	0		EJAFRO
CCC[NH+]1CCC(OC2c3ccccc3CCc3ccccc32)CC1	ZINC000003634098	201579673	/nfs/dbraw/zinc/57/96/73/201579673.db2.gz	HHUQTFYJGHALKN-UHFFFAOYSA-N	1	0	335.491	4.766	1	0		EJAFRO
C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](CF)c1ccccc12	ZINC000073169226	203258399	/nfs/dbraw/zinc/25/83/99/203258399.db2.gz	HFZMUQSGLRRVPN-OXQOHEQNSA-N	1	0	325.427	4.780	1	0		EJAFRO
CC[NH+](CC)Cc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1	ZINC000103216335	204067894	/nfs/dbraw/zinc/06/78/94/204067894.db2.gz	BTVZSJOTDUDSCG-UHFFFAOYSA-N	1	0	341.838	4.955	1	0		EJAFRO
[NH3+]CCS[C@@](Cc1ccccc1)(c1ccccc1)c1cccc(O)c1	ZINC000084653108	217626957	/nfs/dbraw/zinc/62/69/57/217626957.db2.gz	SMJWIGDRUAPMSN-QFIPXVFZSA-N	1	0	349.499	4.570	1	0		EJAFRO
CCc1ccccc1C(=O)O[C@H](CC[NH+](C)C)c1ccc(Cl)cc1	ZINC000013684912	211609682	/nfs/dbraw/zinc/60/96/82/211609682.db2.gz	OEIVJXOFEQCAPX-LJQANCHMSA-N	1	0	345.870	4.752	1	0		EJAFRO
O=C1c2ccccc2CCC[C@H]1C[NH+]1CCC(Cc2ccccc2)CC1	ZINC000013607238	211591471	/nfs/dbraw/zinc/59/14/71/211591471.db2.gz	ZGDALBOHMZZJLL-QFIPXVFZSA-N	1	0	347.502	4.777	1	0		EJAFRO
O[C@@H](c1cc(-c2ccccc2)nc(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1	ZINC000169330425	206551304	/nfs/dbraw/zinc/55/13/04/206551304.db2.gz	GRABOXNVJQVTDN-REWPJTCUSA-N	1	0	344.458	4.591	1	0		EJAFRO
NC(=[NH2+])c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1	ZINC000012354869	211353664	/nfs/dbraw/zinc/35/36/64/211353664.db2.gz	PUICDTWHASVUFT-UHFFFAOYSA-N	1	0	328.371	4.756	1	0		EJAFRO
CC[C@@]1(CCC[NH2+]C)Cc2ccccc2N(c2ccc(C)cc2)C1=O	ZINC000028528556	536077181	/nfs/dbraw/zinc/07/71/81/536077181.db2.gz	IHBSSBISPQPZFN-JOCHJYFZSA-N	1	0	336.479	4.612	1	0		EJAFRO
CC(C)(C)c1cnc(CSc2cnc(Nc3cc[nH+]cc3)s2)o1	ZINC000026750406	581091832	/nfs/dbraw/zinc/09/18/32/581091832.db2.gz	GXAMBYHREJMOKQ-UHFFFAOYSA-N	1	0	346.481	4.860	1	0		EJAFRO
Cc1ccc2c(c1)[C@@H](OC1C[C@H]3CC[C@@H](C1)[N@H+]3C)c1ccccc1CC2	ZINC000003636009	210068607	/nfs/dbraw/zinc/06/86/07/210068607.db2.gz	ZVJKWNUTNBSFNC-JZVYOAODSA-N	1	0	347.502	4.825	1	0		EJAFRO
Clc1cccc(O[C@@H](c2ccncc2)C2CC[NH2+]CC2)c1Cl	ZINC000043024468	213553729	/nfs/dbraw/zinc/55/37/29/213553729.db2.gz	MGXQLLRKRSAUPY-KRWDZBQOSA-N	1	0	337.250	4.508	1	0		EJAFRO
C[NH+](C)CCOc1ccc(-c2nc3c(ccc4ccccc34)o2)cc1	ZINC000040846248	213393296	/nfs/dbraw/zinc/39/32/96/213393296.db2.gz	YLUJHHRCHJXUPR-UHFFFAOYSA-N	1	0	332.403	4.588	1	0		EJAFRO
CC(=O)c1ccc2c(c1)/C(=C\[C@H](C)C[NH+](C)C)c1ccccc1S2	ZINC000040718989	213374650	/nfs/dbraw/zinc/37/46/50/213374650.db2.gz	COESUVGKRQIMBJ-DZBQEORWSA-N	1	0	337.488	4.983	1	0		EJAFRO
Cc1ccc2c(c1F)[C@@H]1CC[NH2+][C@H](Cc3cccc4ccccc43)[C@@H]1N2	ZINC000040461369	213307836	/nfs/dbraw/zinc/30/78/36/213307836.db2.gz	WHVXCZHAEQZAPK-JXHRLWIKSA-N	1	0	346.449	4.770	1	0		EJAFRO
CC(=O)CCCCCCCCCCCC[C@H]1CC[C@@H](O)[C@@H](C)[NH2+]1	ZINC000028973415	291010713	/nfs/dbraw/zinc/01/07/13/291010713.db2.gz	SMOKZFNZPZHGMX-HSALFYBXSA-N	1	0	325.537	4.758	1	0	biogenic,in-vitro	EJAFRO
C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CC[N@@H+]2CCc1ccccc1	ZINC000027332293	202153545	/nfs/dbraw/zinc/15/35/45/202153545.db2.gz	FJRARMQVERMSNJ-NMNUPHIUSA-N	1	0	335.491	4.767	1	0	in-vivo	EJAFRO
Cc1noc(C)c1[C@H](O[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)C)cc1	ZINC000028250119	202167850	/nfs/dbraw/zinc/16/78/50/202167850.db2.gz	VCYLWBPWOZUHDF-PZJWPPBQSA-N	1	0	342.483	4.615	1	0		EJAFRO
Cc1cc(-c2cc(C3CC[NH+](C)CC3)[nH]c2-c2ccc(F)cc2)on1	ZINC000028467838	202171565	/nfs/dbraw/zinc/17/15/65/202171565.db2.gz	ZOXDVMNXVMGJDF-UHFFFAOYSA-N	1	0	339.414	4.593	1	0		EJAFRO
Fc1ccc2cc(CN3CCC([NH2+]Cc4ccccc4)CC3)ccc2c1	ZINC000029123627	202181185	/nfs/dbraw/zinc/18/11/85/202181185.db2.gz	OHGPALNUHJEHDY-UHFFFAOYSA-N	1	0	348.465	4.733	1	0		EJAFRO
CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2[nH+]1	ZINC000036351703	213087953	/nfs/dbraw/zinc/08/79/53/213087953.db2.gz	IQXNLUKIYIWOQD-IZZDOVSWSA-N	1	0	349.409	4.561	1	0		EJAFRO
CC(C)CN(Cc1cccc(C(F)(F)F)c1Cl)C1CC[NH2+]CC1	ZINC000036093158	213061607	/nfs/dbraw/zinc/06/16/07/213061607.db2.gz	KBEZGSDJUWFFBK-UHFFFAOYSA-N	1	0	348.840	4.569	1	0		EJAFRO
C[C@H]1[C@@H]2C[C@H](C[C@H]1[NH2+]Cc1coc(-c3cccc(F)c3)n1)C2(C)C	ZINC000072100833	216008457	/nfs/dbraw/zinc/00/84/57/216008457.db2.gz	FAJQZXYMOIOIHP-BAGBSZHRSA-N	1	0	328.431	4.641	1	0		EJAFRO
C[N@@H+]1CCC[C@H]1[C@H]1CS[C@](c2ccccc2)(C2CCCCC2)O1	ZINC000035273591	202294436	/nfs/dbraw/zinc/29/44/36/202294436.db2.gz	DFCLHAWGKPEFIX-XUVXKRRUSA-N	1	0	331.525	4.646	1	0		EJAFRO
CCCC[C@@]1(OC(C)=O)CC[N@@H+]2C[C@H](c3ccccc3)CC[C@H]2C1	ZINC000029469201	212667567	/nfs/dbraw/zinc/66/75/67/212667567.db2.gz	FKTGNPAKYHLHDG-QHAWAJNXSA-N	1	0	329.484	4.521	1	0		EJAFRO
CC(C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029047395	212650007	/nfs/dbraw/zinc/65/00/07/212650007.db2.gz	SVBLMEPYJHSLGV-SAFIEXBJSA-N	1	0	333.560	4.599	1	0		EJAFRO
C[NH2+]CCCN1c2ccccc2N2CCc3cc(Cl)cc(c32)[C@@H]1C	ZINC000028770864	212635754	/nfs/dbraw/zinc/63/57/54/212635754.db2.gz	YVTAHWBUIHGLHG-AWEZNQCLSA-N	1	0	341.886	4.525	1	0		EJAFRO
COc1ccc(C[C@H]2c3c(cccc3C(C)C)CC[N@H+]2C)cc1OC	ZINC000028464680	212619777	/nfs/dbraw/zinc/61/97/77/212619777.db2.gz	IKHBMQCSQUTEOQ-IBGZPJMESA-N	1	0	339.479	4.599	1	0		EJAFRO
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2Br)n1	ZINC000072103372	203162594	/nfs/dbraw/zinc/16/25/94/203162594.db2.gz	SQZRTDMIDIDYIM-WBMJQRKESA-N	1	0	349.272	4.772	1	0		EJAFRO
CC(C)C[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(Cl)c1	ZINC000019734913	212058879	/nfs/dbraw/zinc/05/88/79/212058879.db2.gz	LGKLQFGMIHSCOZ-INIZCTEOSA-N	1	0	327.859	4.784	1	0		EJAFRO
c1csc(CCCC[N@H+]2[C@@H]3CC[C@H]2Cc2[nH]c4ccccc4c23)n1	ZINC000012356105	211354262	/nfs/dbraw/zinc/35/42/62/211354262.db2.gz	QQLXEKRGAGDWBA-KBXCAEBGSA-N	1	0	337.492	4.709	1	0		EJAFRO
Cc1ccc2nc(-c3ccccc3)cc([C@H](O)C[C@H]3CCCC[NH2+]3)c2c1	ZINC000169334687	226545953	/nfs/dbraw/zinc/54/59/53/226545953.db2.gz	JFIDDWZDVLUWQJ-WZONZLPQSA-N	1	0	346.474	4.776	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccc(F)cc1)c1cccc(F)c1)C2	ZINC000100834230	219108457	/nfs/dbraw/zinc/10/84/57/219108457.db2.gz	MIJCRUAXIVIMFX-IVAOSVALSA-N	1	0	343.417	4.696	1	0		EJAFRO
Cc1ccccc1-c1cc2ccccc2c(N[C@H]2CC[C@H]([NH3+])CC2)n1	ZINC000101763271	219162399	/nfs/dbraw/zinc/16/23/99/219162399.db2.gz	GPWUBYDHGILVKD-HDICACEKSA-N	1	0	331.463	4.892	1	0		EJAFRO
Nc1[nH]c(-c2ccc(C(F)(F)F)cc2)c(-c2ccc(Cl)cc2)[nH+]1	ZINC000066112248	215014291	/nfs/dbraw/zinc/01/42/91/215014291.db2.gz	VXRPGIAZNJDSSJ-UHFFFAOYSA-N	1	0	337.732	4.998	1	0		EJAFRO
FCC[C@H]1OC2(CC[NH+](CC3CCCCC3)CC2)c2ccccc21	ZINC000066259577	215028678	/nfs/dbraw/zinc/02/86/78/215028678.db2.gz	FXNRWJYIQNOTNC-HXUWFJFHSA-N	1	0	331.475	4.989	1	0		EJAFRO
COc1cc2c(c(OC)c1)[C@@H](Cc1ccc3ccccc3c1)[N@H+](C)CC2	ZINC000040568088	213352747	/nfs/dbraw/zinc/35/27/47/213352747.db2.gz	YSABVHRAOGSZMC-OAQYLSRUSA-N	1	0	347.458	4.629	1	0		EJAFRO
COc1cc2c(cc1OC)[C@H](Cc1ccc3ccccc3c1)[N@H+](C)CC2	ZINC000040567703	213352124	/nfs/dbraw/zinc/35/21/24/213352124.db2.gz	FMSQCCODYHVFJE-NRFANRHFSA-N	1	0	347.458	4.629	1	0		EJAFRO
CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)[N@@H+](CC1CCC1)CC3	ZINC000039395230	213235566	/nfs/dbraw/zinc/23/55/66/213235566.db2.gz	WWCDIERWUIOBDL-MDNUFGMLSA-N	1	0	337.507	4.748	1	0		EJAFRO
C[NH+](C)CCS[C@@H]1Cc2ccccc2Sc2ccc(F)cc21	ZINC000039291693	213233163	/nfs/dbraw/zinc/23/31/63/213233163.db2.gz	UFKZXTCJQLJXMG-GOSISDBHSA-N	1	0	333.497	4.869	1	0		EJAFRO
Cc1cc2c(s1)C[N@@H+](C)C[C@]2(C)c1ccc(Br)cc1	ZINC000038157565	213204005	/nfs/dbraw/zinc/20/40/05/213204005.db2.gz	QAOGSHJUYOKXPN-MRXNPFEDSA-N	1	0	336.298	4.570	1	0		EJAFRO
Cc1cc2c(s1)C[N@@H+](C)C[C@@]2(C)c1ccc(Br)cc1	ZINC000038157564	213204205	/nfs/dbraw/zinc/20/42/05/213204205.db2.gz	QAOGSHJUYOKXPN-INIZCTEOSA-N	1	0	336.298	4.570	1	0		EJAFRO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CC[C@H]3CCC[C@H](C)[N@@H+]3C)[C@@H]12	ZINC000028006319	202163813	/nfs/dbraw/zinc/16/38/13/202163813.db2.gz	SPWGJUOMJHFGMM-DEPSAMCGSA-N	1	0	347.543	4.643	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1[C@@H](Cc1ccc(F)cc1)C=C2Cc1ccc(F)cc1	ZINC000028526000	202172475	/nfs/dbraw/zinc/17/24/75/202172475.db2.gz	ADKBZXRUBYJYPV-BULFRSBZSA-N	1	0	339.429	4.769	1	0		EJAFRO
COc1cccc([C@@]23CC[C@@H](C2)[N@H+](CCc2ccccc2)CCC3)c1	ZINC000029247531	202183475	/nfs/dbraw/zinc/18/34/75/202183475.db2.gz	IFOCHSMKAYVGBL-GMAHTHKFSA-N	1	0	335.491	4.824	1	0		EJAFRO
c1coc(C[NH2+][C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1	ZINC000071316487	215758800	/nfs/dbraw/zinc/75/88/00/215758800.db2.gz	ZUUZPMCHOBITNT-UNMCSNQZSA-N	1	0	347.458	4.749	1	0		EJAFRO
C[C@@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[NH2+]1	ZINC000033997264	212973228	/nfs/dbraw/zinc/97/32/28/212973228.db2.gz	KIQAIDFZGPRAPJ-CQSZACIVSA-N	1	0	333.410	4.648	1	0		EJAFRO
C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2Br)n1	ZINC000072103374	216008464	/nfs/dbraw/zinc/00/84/64/216008464.db2.gz	SQZRTDMIDIDYIM-MLGOLLRUSA-N	1	0	349.272	4.772	1	0		EJAFRO
[NH3+][C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Cl	ZINC000072102464	216008477	/nfs/dbraw/zinc/00/84/77/216008477.db2.gz	ISDDYLQQZJPIMF-SFHVURJKSA-N	1	0	329.230	4.639	1	0		EJAFRO
C[C@H]1[C@H]2CC[C@H](c3ccccc3)C[N@@H+]2CC[C@@]1(C)c1cccc(O)c1	ZINC000035075162	202287009	/nfs/dbraw/zinc/28/70/09/202287009.db2.gz	RBPDWVPVDMDPMQ-KMGZYFLFSA-N	1	0	335.491	4.938	1	0		EJAFRO
C[C@@H](c1c2ccccc2sc1CC[NH+](C)C)c1cccnc1F	ZINC000035941737	202310447	/nfs/dbraw/zinc/31/04/47/202310447.db2.gz	KLFVGKSTNOVPOR-CYBMUJFWSA-N	1	0	328.456	4.691	1	0		EJAFRO
C[NH+](C)CCC[C@H]1c2ccccc2Sc2ccc(Cl)cc2[C@@H]1O	ZINC000000347705	209544487	/nfs/dbraw/zinc/54/44/87/209544487.db2.gz	XBNLEWFFGFWJLC-HNAYVOBHSA-N	1	0	347.911	4.964	1	0		EJAFRO
C[NH2+]CCSC1=Cc2ccccc2Oc2ccc(SC)cc21	ZINC000027555089	212564294	/nfs/dbraw/zinc/56/42/94/212564294.db2.gz	VTXXNFRECWBMHA-UHFFFAOYSA-N	1	0	329.490	4.965	1	0		EJAFRO
C[C@H]1C[NH+]=C2N(CCCC3CCCCC3)[C@@H](C3CCCCC3)CN21	ZINC000027211778	212550128	/nfs/dbraw/zinc/55/01/28/212550128.db2.gz	YZZYEJCCPKEQMT-FXAWDEMLSA-N	1	0	331.548	4.672	1	0		EJAFRO
C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](CF)c1ccccc12	ZINC000073169222	216359321	/nfs/dbraw/zinc/35/93/21/216359321.db2.gz	HFZMUQSGLRRVPN-UZLBHIALSA-N	1	0	325.427	4.780	1	0		EJAFRO
Clc1cc(Cl)cc(O[C@H](c2cccnc2)C2CC[NH2+]CC2)c1	ZINC000043062143	202506651	/nfs/dbraw/zinc/50/66/51/202506651.db2.gz	RMVVWYWHBYZSBH-KRWDZBQOSA-N	1	0	337.250	4.508	1	0		EJAFRO
c1ccc2c(c1)CCC[C@@H]2CCCN1CC[NH+](C2CCCCC2)CC1	ZINC000022931091	212336057	/nfs/dbraw/zinc/33/60/57/212336057.db2.gz	YKRPIOCDRMZEBF-OAQYLSRUSA-N	1	0	340.555	4.837	1	0		EJAFRO
CCOC[C@H]1[C@@H]2CC[C@H](C[C@@H]1c1ccc(Cl)c(Cl)c1)[N@@H+]2C	ZINC000084759532	563973615	/nfs/dbraw/zinc/97/36/15/563973615.db2.gz	VCVWXKKWDOJNIT-WBOJAVRRSA-N	1	0	328.283	4.596	1	0	in-man	EJAFRO
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1	ZINC000013444342	581097205	/nfs/dbraw/zinc/09/72/05/581097205.db2.gz	ZLSGXUVBYIIXKU-UHFFFAOYSA-N	1	0	343.386	4.617	1	0		EJAFRO
CCOc1ccc2c3cc[n+](Cc4ccccc4)c(C)c3n(CC)c2c1	ZINC000049808129	214034267	/nfs/dbraw/zinc/03/42/67/214034267.db2.gz	WMWCBHNQHOUOCJ-UHFFFAOYSA-N	1	0	345.466	4.857	1	0		EJAFRO
CC[NH2+]C(Cc1ccc(SC)cc1)Cc1ccc(SC)cc1	ZINC000049803678	214032736	/nfs/dbraw/zinc/03/27/36/214032736.db2.gz	XHOIEIYFFBEJMP-UHFFFAOYSA-N	1	0	331.550	4.894	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc(F)c(F)c1)C2	ZINC000100834220	219108536	/nfs/dbraw/zinc/10/85/36/219108536.db2.gz	JBEBJQXFPAMUCH-OEMYIYORSA-N	1	0	343.417	4.696	1	0		EJAFRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CCC(O)(c1ccccc1)c1ccccc1)C2	ZINC000103233179	219273779	/nfs/dbraw/zinc/27/37/79/219273779.db2.gz	SUUDZYHGMLHTBK-FJPGZJACSA-N	1	0	335.491	4.576	1	0		EJAFRO
C[NH2+][C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000095913655	291012321	/nfs/dbraw/zinc/01/23/21/291012321.db2.gz	BAWXWUZBFYSEDR-YZWRWILZSA-N	1	0	331.544	4.822	1	0	biogenic,in-vitro	EJAFRO
Clc1ccc(C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1Cl	ZINC000026669530	202146743	/nfs/dbraw/zinc/14/67/43/202146743.db2.gz	DVJWZFAPILAIAT-KRWDZBQOSA-N	1	0	331.246	4.904	1	0		EJAFRO
CCOC1(CC[NH+]2CCCC2)c2ccccc2CCc2ccccc21	ZINC000026665412	202147024	/nfs/dbraw/zinc/14/70/24/202147024.db2.gz	GMVXBDIBHTZVPH-UHFFFAOYSA-N	1	0	335.491	4.551	1	0		EJAFRO
C[NH+]1CCC2(CN(c3ccccc3F)c3cc(Cl)ccc32)CC1	ZINC000028098286	202165094	/nfs/dbraw/zinc/16/50/94/202165094.db2.gz	BSERNWGYMMEPSD-UHFFFAOYSA-N	1	0	330.834	4.594	1	0		EJAFRO
Cc1noc(C)c1[C@@H](O[C@H]1CCC[N@H+](C)C1)c1ccc(C(C)C)cc1	ZINC000028250125	202167919	/nfs/dbraw/zinc/16/79/19/202167919.db2.gz	VCYLWBPWOZUHDF-FPOVZHCZSA-N	1	0	342.483	4.615	1	0		EJAFRO
CCCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1[NH+](C)C	ZINC000028235710	202168376	/nfs/dbraw/zinc/16/83/76/202168376.db2.gz	ZKLIUIHGSFOUDG-HOTGVXAUSA-N	1	0	343.298	4.609	1	0		EJAFRO
C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2Br)n1	ZINC000072103375	216008250	/nfs/dbraw/zinc/00/82/50/216008250.db2.gz	SQZRTDMIDIDYIM-BLLLJJGKSA-N	1	0	349.272	4.772	1	0		EJAFRO
C[C@H]1[C@@H]2C[C@H](C[C@@H]1[NH2+]Cc1coc(-c3cccc(F)c3)n1)C2(C)C	ZINC000072100832	216008736	/nfs/dbraw/zinc/00/87/36/216008736.db2.gz	FAJQZXYMOIOIHP-YENGBRFLSA-N	1	0	328.431	4.641	1	0		EJAFRO
C[C@H]1C=C(c2c[nH]c(-c3ccc(F)cc3)c2-c2ccncc2)CC[NH2+]1	ZINC000033997265	202270968	/nfs/dbraw/zinc/27/09/68/202270968.db2.gz	KIQAIDFZGPRAPJ-AWEZNQCLSA-N	1	0	333.410	4.648	1	0		EJAFRO
Cc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3Cc1cccc(C(F)(F)F)c1	ZINC000026671159	212531046	/nfs/dbraw/zinc/53/10/46/212531046.db2.gz	FJUNIBZNKJSJJJ-GOSISDBHSA-N	1	0	344.380	4.925	1	0		EJAFRO
CC(C)[C@H]([NH3+])c1csc(NC(=O)Nc2ccccc2C(C)(C)C)n1	ZINC000061926768	202792995	/nfs/dbraw/zinc/79/29/95/202792995.db2.gz	KOYCNAVLCJMBIH-HNNXBMFYSA-N	1	0	346.500	4.740	3	0		EJAFRO
CCOc1cccc(-c2nc(C[N@@H+]3CC[C@@H]4CCCC[C@@H]4C3)co2)c1	ZINC000072184782	203183425	/nfs/dbraw/zinc/18/34/25/203183425.db2.gz	VJYLSDBMOANOHT-FUHWJXTLSA-N	1	0	340.467	4.752	1	0		EJAFRO
Brc1cccc(O[C@H](c2ccccc2)C2CC[NH2+]CC2)c1	ZINC000013530839	211573258	/nfs/dbraw/zinc/57/32/58/211573258.db2.gz	KUIOPSYWAFBHNQ-GOSISDBHSA-N	1	0	346.268	4.569	1	0		EJAFRO
FC(F)(F)c1ccc(O[C@H](c2ccccc2)C2CC[NH2+]CC2)cc1	ZINC000013530887	211573064	/nfs/dbraw/zinc/57/30/64/211573064.db2.gz	GWXNFOIUHHZIIQ-GOSISDBHSA-N	1	0	335.369	4.825	1	0		EJAFRO
CC(C)(C)c1ccc(C2=Cc3ccc(N)cc3C3=[NH+]CCCN23)cc1	ZINC000013555262	211577152	/nfs/dbraw/zinc/57/71/52/211577152.db2.gz	AWWFRPNILADZTP-UHFFFAOYSA-N	1	0	331.463	4.530	1	0		EJAFRO
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1	ZINC000040934333	581092089	/nfs/dbraw/zinc/09/20/89/581092089.db2.gz	MJLBZFXLDHOOMN-UHFFFAOYSA-N	1	0	340.448	4.563	1	0		EJAFRO
c1nc(Nc2ccc(C[NH+]3CCCC3)cn2)sc1-c1ccccc1	ZINC000013586288	581093060	/nfs/dbraw/zinc/09/30/60/581093060.db2.gz	CRATWJDHVNOZDE-UHFFFAOYSA-N	1	0	336.464	4.545	1	0		EJAFRO
c1nc(Nc2cc(C[NH+]3CCCC3)ccn2)sc1-c1ccccc1	ZINC000013586289	581093143	/nfs/dbraw/zinc/09/31/43/581093143.db2.gz	JBIXJDQVQFSQHB-UHFFFAOYSA-N	1	0	336.464	4.545	1	0		EJAFRO
CCC[N@H+](CCc1ccccc1)[C@H]1CCc2ccc3[nH]ccc3c2C1	ZINC000013741740	581094311	/nfs/dbraw/zinc/09/43/11/581094311.db2.gz	WUEDXQPULXUQHI-FQEVSTJZSA-N	1	0	332.491	4.980	1	0		EJAFRO
[NH3+]Cc1ccccc1C(F)(F)C(F)(F)C(F)(F)c1ccccc1	ZINC000060222857	214630547	/nfs/dbraw/zinc/63/05/47/214630547.db2.gz	JBPJZPYAKLFRFZ-UHFFFAOYSA-N	1	0	333.275	4.664	1	0		EJAFRO
C[C@H]1[C@H](O)C[C@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000003902378	210088484	/nfs/dbraw/zinc/08/84/84/210088484.db2.gz	BPCLELONGIWKCR-RMDDBIGQSA-N	1	0	336.262	4.766	1	0		EJAFRO
Cc1cccc2c1CCc1ccccc1[C@H]2OC1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000003633960	210068643	/nfs/dbraw/zinc/06/86/43/210068643.db2.gz	RKIQFVVDNLFUNH-NNYGOGDTSA-N	1	0	347.502	4.825	1	0		EJAFRO
Clc1ccc(O[C@H](c2ccncc2)C2CC[NH2+]CC2)c(Cl)c1	ZINC000042921795	213541644	/nfs/dbraw/zinc/54/16/44/213541644.db2.gz	IEAAUYDUGMCSHI-QGZVFWFLSA-N	1	0	337.250	4.508	1	0		EJAFRO
COc1ccc(-c2ccc(/C=C/c3cccc[n+]3C)o2)cc1Cl	ZINC000040879026	213397978	/nfs/dbraw/zinc/39/79/78/213397978.db2.gz	WFOWBMSKNUPADB-BQYQJAHWSA-N	1	0	326.803	4.604	1	0		EJAFRO
CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@@H](C)[NH2+]1	ZINC000013384074	291010712	/nfs/dbraw/zinc/01/07/12/291010712.db2.gz	AACOWOOKWQCRBQ-YZGWKJHDSA-N	1	0	339.520	4.549	1	0	biogenic,in-vitro	EJAFRO
c1coc(C2(c3ccco3)C[C@@H]3c4ccccc4[C@H]2c2cccc[n+]23)c1	ZINC000026648953	202146233	/nfs/dbraw/zinc/14/62/33/202146233.db2.gz	NBYOYACKEDPLKW-KNQAVFIVSA-N	1	0	340.402	4.585	1	0		EJAFRO
Clc1ccc2c(c1)[C@H]1CC[NH2+][C@@H](Cc3cccc4ccccc43)[C@H]1N2	ZINC000026668038	202146627	/nfs/dbraw/zinc/14/66/27/202146627.db2.gz	SWAXUOIPNPGYRL-COPCDDAFSA-N	1	0	348.877	4.976	1	0		EJAFRO
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCC[N@@H+]3CCC[C@@H](C)C3)[C@@H]12	ZINC000028008166	202164325	/nfs/dbraw/zinc/16/43/25/202164325.db2.gz	KDTXPLWOUMFWJY-UOUVBWGTSA-N	1	0	347.543	4.503	1	0		EJAFRO
CC(C)c1noc([C@@H]2[C@@H]3CC[C@H](C[C@@H]2c2ccc(Cl)cc2)[N@@H+]3C)n1	ZINC000036270963	213079807	/nfs/dbraw/zinc/07/98/07/213079807.db2.gz	ZHQNCBQDCXZZPA-NCOADZHNSA-N	1	0	345.874	4.580	1	0		EJAFRO
C[NH2+]CC[C@@H](c1ccccc1)N1c2ccccc2C2(CCCCC2)C1=O	ZINC000034986249	213004080	/nfs/dbraw/zinc/00/40/80/213004080.db2.gz	ILKQBHSHNTVIIC-FQEVSTJZSA-N	1	0	348.490	4.586	1	0		EJAFRO
Cc1cc(C)n(C[C@]23C[C@@]2(c2ccc(Cl)c(Cl)c2)CC[NH2+]C3)c1	ZINC000072114434	216011677	/nfs/dbraw/zinc/01/16/77/216011677.db2.gz	KWIJNWQXQHEXSP-RTBURBONSA-N	1	0	349.305	4.733	1	0		EJAFRO
C[C@H]1C[N@@H+]2C[C@H](c3ccccc3)CC[C@H]2C[C@@]1(C)c1cccc(O)c1	ZINC000035075190	202287050	/nfs/dbraw/zinc/28/70/50/202287050.db2.gz	RGXBTFPNFYCKOY-QYAKYFNYSA-N	1	0	335.491	4.938	1	0		EJAFRO
CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CCc1ccc(F)cc1	ZINC000036386666	202323892	/nfs/dbraw/zinc/32/38/92/202323892.db2.gz	HCXMEOJYOSXYAZ-FQEVSTJZSA-N	1	0	339.458	4.567	3	0		EJAFRO
C[NH+]1CCC(c2cc(-c3ccccn3)c(-c3ccc(F)cc3)[nH]2)CC1	ZINC000028474371	212620378	/nfs/dbraw/zinc/62/03/78/212620378.db2.gz	IWWGCRAMRFPWKM-UHFFFAOYSA-N	1	0	335.426	4.692	1	0		EJAFRO
CC(=O)c1ccc2c(c1)[C@H](CCC[NH+](C)C)c1ccccc1S2	ZINC000027741868	212575413	/nfs/dbraw/zinc/57/54/13/212575413.db2.gz	NAAYVPCJKOYVEB-MRXNPFEDSA-N	1	0	325.477	4.828	1	0		EJAFRO
C[NH+](C)C1(c2ccc(Cl)cc2)CCC(O)(Cc2ccccc2)CC1	ZINC000027326139	212553393	/nfs/dbraw/zinc/55/33/93/212553393.db2.gz	UBNJSUOLOCCDAI-UHFFFAOYSA-N	1	0	343.898	4.645	1	0		EJAFRO
C[C@H]([NH2+]Cc1coc(-c2ccc(Br)cc2)n1)C(C)(C)C	ZINC000072181266	203182540	/nfs/dbraw/zinc/18/25/40/203182540.db2.gz	LBCBRSZRFDNJRW-NSHDSACASA-N	1	0	337.261	4.628	1	0		EJAFRO
C[C@H](Oc1c(-c2ccccc2)cccc1-c1ccccc1)C1=[NH+]CCN1	ZINC000073311699	203263499	/nfs/dbraw/zinc/26/34/99/203263499.db2.gz	YCFVUTASHGKCKL-KRWDZBQOSA-N	1	0	342.442	4.790	1	0		EJAFRO
CC[NH+](CC)Cc1ccc2c(=O)cc(-c3ccccc3Cl)oc2c1	ZINC000103221435	204067670	/nfs/dbraw/zinc/06/76/70/204067670.db2.gz	LOQZKVRYCGAEEP-UHFFFAOYSA-N	1	0	341.838	4.955	1	0		EJAFRO
c1ccc([C@H]2N3CCc4c5ccccc5[nH]c4[C@H]3[C@H]3CCCC[N@H+]32)cc1	ZINC000019318915	212015797	/nfs/dbraw/zinc/01/57/97/212015797.db2.gz	IVCBTXQYHREPNE-YMPZKCBVSA-N	1	0	343.474	4.634	1	0		EJAFRO
Cc1ccc(C(SCC[NH3+])(c2ccccc2)c2ccccc2)cc1	ZINC000082152869	217478255	/nfs/dbraw/zinc/47/82/55/217478255.db2.gz	OWQZSPCKUCPBPY-UHFFFAOYSA-N	1	0	333.500	4.979	1	0		EJAFRO
c1csc(-c2cc(C3CC[NH+](CCc4ccccc4)CC3)[nH]n2)c1	ZINC000013763834	211634163	/nfs/dbraw/zinc/63/41/63/211634163.db2.gz	RQRBGNHBNQYSEI-UHFFFAOYSA-N	1	0	337.492	4.560	1	0		EJAFRO
CCC[NH+](CCC)[C@H]1CCc2cc(F)c3[nH]cc(C(=O)CC)c3c2C1	ZINC000013741699	211629329	/nfs/dbraw/zinc/62/93/29/211629329.db2.gz	UTKHSRGDDNRWQN-HNNXBMFYSA-N	1	0	344.474	4.879	1	0		EJAFRO
CC(=O)CCCCCCCCCCCC[C@@H]1CC[C@@H](O)[C@@H](C)[NH2+]1	ZINC000045496089	560078613	/nfs/dbraw/zinc/07/86/13/560078613.db2.gz	SMOKZFNZPZHGMX-VAMGGRTRSA-N	1	0	325.537	4.758	1	0	biogenic,in-vitro	EJAFRO
CC(=O)CCCCCCCCCC[C@H]1CC[C@@H](OC(C)=O)[C@H](C)[NH2+]1	ZINC000013384075	560216145	/nfs/dbraw/zinc/21/61/45/560216145.db2.gz	AACOWOOKWQCRBQ-YSIASYRMSA-N	1	0	339.520	4.549	1	0	biogenic,in-vitro	EJAFRO