smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H](O)[C@@H]([NH+](C)C)CC[C@]12C	ZINC000095590050	185382191	/nfs/dbraw/zinc/38/21/91/185382191.db2.gz	WVTWWSDDOKFHMU-OUCVULTDSA-N	1	0	323.565	4.956	1	0		DJAFRO
C[N@@H+]1[C@@H]2CC[C@H]1[C@H](c1ccc(F)cc1)[C@H](c1ccc(F)cc1)C2	ZINC000087634382	185229882	/nfs/dbraw/zinc/22/98/82/185229882.db2.gz	HXQXDKYGUZKIHL-FUMNGEBKSA-N	1	0	313.391	4.699	1	0		DJAFRO
CC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2Cl)n1	ZINC000072102711	191036396	/nfs/dbraw/zinc/03/63/96/191036396.db2.gz	IYCAKPIEQSJGDY-AWEZNQCLSA-N	1	0	304.821	4.760	1	0		DJAFRO
C[NH+](C)Cc1ccccc1C(F)(F)C(F)(F)c1ccccc1	ZINC000143219067	186033638	/nfs/dbraw/zinc/03/36/38/186033638.db2.gz	GFXYQWLJRHUKEP-UHFFFAOYSA-N	1	0	311.322	4.632	1	0		DJAFRO
C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](C)c1ccccc12	ZINC000073224295	191295890	/nfs/dbraw/zinc/29/58/90/191295890.db2.gz	OGVMKMWWCQCBBY-SJORKVTESA-N	1	0	307.437	4.830	1	0		DJAFRO
CC(C)[N@H+](C)CCC1=C([C@H](C)c2ccccn2)c2ccccc2C1	ZINC000013493483	181856243	/nfs/dbraw/zinc/85/62/43/181856243.db2.gz	KLYUNLYWGBECRC-QGZVFWFLSA-N	1	0	320.480	4.925	1	0		DJAFRO
c1[nH]c2ccccc2c1CCC[N@H+]1CC=C(c2ccccc2)CC1	ZINC000013728574	181885408	/nfs/dbraw/zinc/88/54/08/181885408.db2.gz	XDNNWNKVOIAXTP-UHFFFAOYSA-N	1	0	316.448	4.890	1	0		DJAFRO
C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21	ZINC000029482958	182566670	/nfs/dbraw/zinc/56/66/70/182566670.db2.gz	CXYCPKLEUHDCJT-BLLLJJGKSA-N	1	0	310.199	4.929	1	0		DJAFRO
C[NH2+]CCS[C@@H]1Cc2ccccc2Sc2ccc(F)cc21	ZINC000039291717	183016470	/nfs/dbraw/zinc/01/64/70/183016470.db2.gz	QXNTYHHAXXLKHO-QGZVFWFLSA-N	1	0	319.470	4.527	1	0		DJAFRO
CO[C@@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+](C)C	ZINC000040431314	183066107	/nfs/dbraw/zinc/06/61/07/183066107.db2.gz	WIRLAQOJZGABAO-KRWDZBQOSA-N	1	0	324.251	4.791	1	0		DJAFRO
C[NH+](C)Cc1cc(Cl)ccc1Oc1ccc(Cl)cc1O	ZINC000040763231	183130754	/nfs/dbraw/zinc/13/07/54/183130754.db2.gz	NSUQURXAEBDWOZ-UHFFFAOYSA-N	1	0	312.196	4.553	1	0		DJAFRO
CCCCCCOc1ccc(C(=O)CC[NH+](C)C)c(SC)c1	ZINC000043024774	183331416	/nfs/dbraw/zinc/33/14/16/183331416.db2.gz	OROHYTBQRCVQHD-UHFFFAOYSA-N	1	0	323.502	4.502	1	0		DJAFRO
Fc1ccc(COc2ccc(Cl)cc2C2CC[NH2+]CC2)cc1	ZINC000045286841	183494964	/nfs/dbraw/zinc/49/49/64/183494964.db2.gz	NSKFLKQWPVFAAE-UHFFFAOYSA-N	1	0	319.807	4.525	1	0		DJAFRO
[NH3+]C[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066100523	184389209	/nfs/dbraw/zinc/38/92/09/184389209.db2.gz	AUOZLNRXVPELRP-IAQYHMDHSA-N	1	0	306.236	4.646	1	0		DJAFRO
CC[NH+](CC)CC[C@H](C)Cc1cc(Cl)c2cccnc2c1O	ZINC000095598371	185382283	/nfs/dbraw/zinc/38/22/83/185382283.db2.gz	YVTILXWESGQCOC-ZDUSSCGKSA-N	1	0	320.864	4.504	1	0		DJAFRO
COc1cc2c(cc1[C@@H](C)[NH2+]Cc1ccccc1)C=CC(C)(C)O2	ZINC000096932045	185392526	/nfs/dbraw/zinc/39/25/26/185392526.db2.gz	YYHBOUVNIMWRMK-OAHLLOKOSA-N	1	0	323.436	4.730	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1nc(-c2ccc(OC)cc2)oc1C	ZINC000072184282	191072446	/nfs/dbraw/zinc/07/24/46/191072446.db2.gz	ZLRWOFXEEUZVRK-AWEZNQCLSA-N	1	0	316.445	4.717	1	0		DJAFRO
C[C@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072183523	191072492	/nfs/dbraw/zinc/07/24/92/191072492.db2.gz	MNVVWCSXVDCFMZ-BLLLJJGKSA-N	1	0	304.821	4.663	1	0		DJAFRO
C[C@H]([NH3+])[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000095919418	290938593	/nfs/dbraw/zinc/93/85/93/290938593.db2.gz	HUZKCJXXNQCADJ-SKLBOBKVSA-N	1	0	317.517	4.562	1	0	biogenic,in-vitro	DJAFRO
C[NH+](C)CCc1c[nH]c2ccc(-c3ccc(Cl)s3)cc12	ZINC000000022994	180670825	/nfs/dbraw/zinc/67/08/25/180670825.db2.gz	GDFBAJHUEIJZGR-UHFFFAOYSA-N	1	0	304.846	4.654	1	0		DJAFRO
C[NH+](C)CCC[C@]1(c2ccccc2)OC(C)(C)c2ccccc21	ZINC000005765934	181282451	/nfs/dbraw/zinc/28/24/51/181282451.db2.gz	JMKKUONSGMKXDD-OAQYLSRUSA-N	1	0	309.453	4.537	1	0		DJAFRO
C[NH+](C)[C@@H]1C[C@H](c2ccc(Br)cc2)c2ccccc21	ZINC000005965152	181301596	/nfs/dbraw/zinc/30/15/96/181301596.db2.gz	FAVRAXVBHORDCR-IAGOWNOFSA-N	1	0	316.242	4.587	1	0		DJAFRO
CC[NH+](CC)CCC1=C([C@@H](C)c2ccccn2)c2ccccc2C1	ZINC000013493476	181855902	/nfs/dbraw/zinc/85/59/02/181855902.db2.gz	SZXDNUASCUAYNA-KRWDZBQOSA-N	1	0	320.480	4.927	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1ccc(C)cc1	ZINC000013588077	181866110	/nfs/dbraw/zinc/86/61/10/181866110.db2.gz	BBPHSCYBCPQBRH-FQEVSTJZSA-N	1	0	305.421	4.878	1	0		DJAFRO
c1ccc([C@H]2C[C@@H]([NH+](C3CC3)C3CC3)Cc3ccccc32)cc1	ZINC000026824471	182454348	/nfs/dbraw/zinc/45/43/48/182454348.db2.gz	DNPCTTJNHXANCI-RBBKRZOGSA-N	1	0	303.449	4.760	1	0		DJAFRO
C[NH+](C)C1CCC2(CC1)O[C@@H](c1ccccc1)c1ccccc12	ZINC000027707641	182488037	/nfs/dbraw/zinc/48/80/37/182488037.db2.gz	XWKWJLYPSGDFBE-SGDIKTSBSA-N	1	0	307.437	4.506	1	0		DJAFRO
Cc1ccc(C[N@@H+]2CC[C@@](C)(Oc3cccc(Cl)c3)C2)cc1	ZINC000061905155	184194111	/nfs/dbraw/zinc/19/41/11/184194111.db2.gz	CFAFHFCOSOKAPO-LJQANCHMSA-N	1	0	315.844	4.692	3	0		DJAFRO
c1sc(Nc2cc[nH+]cc2)nc1-c1cc(-c2ccccc2)no1	ZINC000066077330	184386834	/nfs/dbraw/zinc/38/68/34/184386834.db2.gz	QWQZXZMHZAUXNQ-UHFFFAOYSA-N	1	0	320.377	4.604	1	0		DJAFRO
c1ccc(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1	ZINC000013805327	581092027	/nfs/dbraw/zinc/09/20/27/581092027.db2.gz	XMEYRISTYAMHBD-UHFFFAOYSA-N	1	0	309.453	4.532	1	0		DJAFRO
Clc1ccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c(Cl)c1	ZINC000095587957	185381651	/nfs/dbraw/zinc/38/16/51/185381651.db2.gz	DRRQCYGCMNHHQK-GUYCJALGSA-N	1	0	322.235	4.723	1	0		DJAFRO
Clc1cccc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1Cl	ZINC000095589414	185381989	/nfs/dbraw/zinc/38/19/89/185381989.db2.gz	MCHVXQNUHBOZIA-GUYCJALGSA-N	1	0	322.235	4.723	1	0		DJAFRO
CCCC[NH+](CCCC)Cc1cc(=O)oc2cc(C)cc(C)c12	ZINC000095603373	185382315	/nfs/dbraw/zinc/38/23/15/185382315.db2.gz	QMRPATRQGWRQMB-UHFFFAOYSA-N	1	0	315.457	4.812	3	0		DJAFRO
CC[n+]1ccc2c3ccccc3n(CCCc3ccccc3)c2c1	ZINC000096922769	185391660	/nfs/dbraw/zinc/39/16/60/185391660.db2.gz	MLQMWWVWRDSAMV-UHFFFAOYSA-N	1	0	315.440	4.735	1	0		DJAFRO
CCCCn1c[n+](Cc2cc3ccccc3o2)c2ccccc21	ZINC000096930255	185392262	/nfs/dbraw/zinc/39/22/62/185392262.db2.gz	QHKYZWQZPUNOIJ-UHFFFAOYSA-N	1	0	305.401	4.523	1	0		DJAFRO
C[C@H]1CCCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072103520	191036675	/nfs/dbraw/zinc/03/66/75/191036675.db2.gz	GFTRXIBHOMDQEG-HNNXBMFYSA-N	1	0	306.409	4.869	1	0		DJAFRO
C[C@H]1CCC[N@@H+]1CCc1ccc2nc(-c3ccsc3)ccc2c1	ZINC000072182754	191072212	/nfs/dbraw/zinc/07/22/12/191072212.db2.gz	VWVKTJUUIXCTMF-HNNXBMFYSA-N	1	0	322.477	4.990	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cccc(F)c2F)n1	ZINC000072184717	191072525	/nfs/dbraw/zinc/07/25/25/191072525.db2.gz	OTMSBHNKINRSSF-LBPRGKRZSA-N	1	0	308.372	4.678	1	0		DJAFRO
c1ccc(C2(c3ccccc3)CC[C@H]([C@@H]3CCCC[NH2+]3)C2)cc1	ZINC000013453647	181851638	/nfs/dbraw/zinc/85/16/38/181851638.db2.gz	HEBSPEQPBSFXJV-RXVVDRJESA-N	1	0	305.465	4.915	1	0		DJAFRO
C[NH+](C)CCc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12	ZINC000013758589	181890673	/nfs/dbraw/zinc/89/06/73/181890673.db2.gz	WZXHSSNOEBHYEF-UHFFFAOYSA-N	1	0	316.807	4.527	1	0		DJAFRO
CC[C@H](C)CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1CC(C)C	ZINC000015924578	182024276	/nfs/dbraw/zinc/02/42/76/182024276.db2.gz	HMDZJAPFKZRDDQ-WMZOPIPTSA-N	1	0	301.478	4.621	3	0		DJAFRO
CC[C@@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941602	182343236	/nfs/dbraw/zinc/34/32/36/182343236.db2.gz	SJIMHAZVVWCGGD-FHWLQOOXSA-N	1	0	314.860	4.565	1	0		DJAFRO
C[NH+]1CCC2(CC1)S[C@H](c1cccc(F)c1)c1ccccc12	ZINC000027876256	182494791	/nfs/dbraw/zinc/49/47/91/182494791.db2.gz	ODYACZGTXLYURO-GOSISDBHSA-N	1	0	313.441	4.583	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccsc21)c1cccs1	ZINC000028387932	182522297	/nfs/dbraw/zinc/52/22/97/182522297.db2.gz	ZPXUSHQKEKPOFJ-ZDUSSCGKSA-N	1	0	303.452	4.692	1	0		DJAFRO
FC(F)(F)c1ccc([C@@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)cc1	ZINC000029233774	182557124	/nfs/dbraw/zinc/55/71/24/182557124.db2.gz	GFAORPLVFWRVNE-ROUUACIJSA-N	1	0	317.354	4.988	1	0		DJAFRO
c1[nH]c2ccccc2c1[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)CC1	ZINC000100807619	193804699	/nfs/dbraw/zinc/80/46/99/193804699.db2.gz	CVIYUDXPBSTXOK-HDICACEKSA-N	1	0	304.437	4.984	1	0		DJAFRO
Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2cc(C(C)C)no2)[N@H+]3C)cc1	ZINC000036270990	182812175	/nfs/dbraw/zinc/81/21/75/182812175.db2.gz	NNUGMIGHMIYPID-QRKMNUTDSA-N	1	0	324.468	4.840	1	0		DJAFRO
CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2c(cccc2OC)C1	ZINC000039249747	183015486	/nfs/dbraw/zinc/01/54/86/183015486.db2.gz	FIVSMYOXPMQPKY-HXUWFJFHSA-N	1	0	323.480	4.507	1	0		DJAFRO
C[NH2+]CCSC1=Cc2ccccc2Sc2ccc(F)cc21	ZINC000039291699	183016346	/nfs/dbraw/zinc/01/63/46/183016346.db2.gz	SRFCUKXJTKBZSF-UHFFFAOYSA-N	1	0	317.454	4.741	1	0		DJAFRO
C[NH+](C)CCS[C@@H]1Cc2ccccc2Sc2ccccc21	ZINC000039291688	183016638	/nfs/dbraw/zinc/01/66/38/183016638.db2.gz	YVPBDQXCDLDRKA-GOSISDBHSA-N	1	0	315.507	4.730	1	0		DJAFRO
C[C@@H](NC1=[NH+]CCCCC1)c1ccc2c(c1)Cc1ccccc1-2	ZINC000039369536	183017565	/nfs/dbraw/zinc/01/75/65/183017565.db2.gz	ICRWYJLRZKTTSZ-OAHLLOKOSA-N	1	0	304.437	4.881	1	0		DJAFRO
c1ccc(CC[C@H]2c3ccccc3O[C@H]2C[NH+]2CCCCC2)cc1	ZINC000040585335	183106000	/nfs/dbraw/zinc/10/60/00/183106000.db2.gz	GARPLAIHIRVBJF-UNMCSNQZSA-N	1	0	321.464	4.650	1	0		DJAFRO
Cc1c(OCc2cccc(Cl)c2)cccc1C1CC[NH2+]CC1	ZINC000040939714	183149541	/nfs/dbraw/zinc/14/95/41/183149541.db2.gz	OFJXQWHRWCTSTK-UHFFFAOYSA-N	1	0	315.844	4.694	1	0		DJAFRO
C[C@]1(Oc2ccccc2)CC[N@H+](Cc2csc3ccccc23)C1	ZINC000061904618	184193997	/nfs/dbraw/zinc/19/39/97/184193997.db2.gz	XCQVVJYTTVUGNG-FQEVSTJZSA-N	1	0	323.461	4.945	3	0		DJAFRO
C[NH2+][C@@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000066104721	184389863	/nfs/dbraw/zinc/38/98/63/184389863.db2.gz	YTBOYUYWXPLZQM-SJORKVTESA-N	1	0	306.236	4.660	1	0		DJAFRO
C[NH2+][C@@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000066104723	184389921	/nfs/dbraw/zinc/38/99/21/184389921.db2.gz	YTBOYUYWXPLZQM-IAGOWNOFSA-N	1	0	306.236	4.660	1	0		DJAFRO
[NH2+]=C(C=Cc1ccccc1)NCc1cc(Cl)cc(Cl)c1	ZINC000013487827	518196733	/nfs/dbraw/zinc/19/67/33/518196733.db2.gz	KERNZTSMCWMLJM-VOTSOKGWSA-N	1	0	305.208	4.774	1	0		DJAFRO
Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@@H](C)[C@@H]2C)c(C)c1	ZINC000005013724	563329145	/nfs/dbraw/zinc/32/91/45/563329145.db2.gz	JFVXGMCWCRFNIA-NEWSRXKRSA-N	1	0	303.490	4.877	1	0		DJAFRO
c1cn(-c2ccccc2)cc1C[N@H+]1CC=C(c2ccccc2)CC1	ZINC000013744971	581092263	/nfs/dbraw/zinc/09/22/63/581092263.db2.gz	LYPHIBLOFUSFAM-UHFFFAOYSA-N	1	0	314.432	4.767	1	0		DJAFRO
Cc1cc(C)[n+](CCc2ccccc2-c2ccccc2)c(C)c1	ZINC000095586800	185381515	/nfs/dbraw/zinc/38/15/15/185381515.db2.gz	GCGQIAXIZDFMJQ-UHFFFAOYSA-N	1	0	302.441	4.809	1	0		DJAFRO
C[NH+](C)CCCC[C@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000169349864	197744964	/nfs/dbraw/zinc/74/49/64/197744964.db2.gz	OPBOSQCGJGBHJP-QGZVFWFLSA-N	1	0	302.849	4.599	1	0		DJAFRO
C[NH+](C)CCc1cn(-c2cccc3ccccc32)c2ccccc12	ZINC000103265558	185442607	/nfs/dbraw/zinc/44/26/07/185442607.db2.gz	OEBXNJGSTUWAOP-UHFFFAOYSA-N	1	0	314.432	4.888	1	0		DJAFRO
c1csc(-c2ccc(OCCC[NH+]3CCCCC3)cc2)c1	ZINC000072181006	191072614	/nfs/dbraw/zinc/07/26/14/191072614.db2.gz	FNMSKRVJSVGVRH-UHFFFAOYSA-N	1	0	301.455	4.670	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1ccc(F)c2sccc21)c1ccccc1	ZINC000001913125	180901313	/nfs/dbraw/zinc/90/13/13/180901313.db2.gz	FWXAHOQYGHIPNV-INIZCTEOSA-N	1	0	315.413	4.770	1	0		DJAFRO
C[C@@H]1CCC[C@@]23CC[N@H+](C=C4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13	ZINC000195050013	201331445	/nfs/dbraw/zinc/33/14/45/201331445.db2.gz	VBZDZWBYKYVNKN-NSEXGNSCSA-N	1	0	323.480	4.764	1	0		DJAFRO
C/C=C(/CC[C@H]1[NH2+]CC[C@@H]2c3ccccc3N[C@@H]21)[Si](C)(C)C	ZINC000195516636	201396631	/nfs/dbraw/zinc/39/66/31/201396631.db2.gz	NSHWEQKTJYYKNJ-GKIMMIDHSA-N	1	0	314.549	4.530	1	0		DJAFRO
C[C@@H](C1=C(CC[NH+]2CCCC2)Cc2ccccc21)c1ccccn1	ZINC000013493474	181856087	/nfs/dbraw/zinc/85/60/87/181856087.db2.gz	RZZNAYPGBUQODF-QGZVFWFLSA-N	1	0	318.464	4.681	1	0		DJAFRO
CN1Cc2ccccc2[C@H](c2ccccc2)[NH+]=C1c1ccccc1	ZINC000013600211	181866955	/nfs/dbraw/zinc/86/69/55/181866955.db2.gz	WKEHLPNSFZPZMG-NRFANRHFSA-N	1	0	312.416	4.668	1	0		DJAFRO
CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CC1CCCCC1	ZINC000015924581	182024271	/nfs/dbraw/zinc/02/42/71/182024271.db2.gz	BBXUCYHHAGNYCF-IBGZPJMESA-N	1	0	313.489	4.765	3	0		DJAFRO
Fc1ccc(/C=C2\CCN3Cc4ccccc4[NH+]=C23)c(Cl)c1	ZINC000101008147	193806438	/nfs/dbraw/zinc/80/64/38/193806438.db2.gz	PZHNHGUXGNDVHI-UKTHLTGXSA-N	1	0	312.775	4.812	1	0		DJAFRO
CCc1cccc2c3c(n(CC)c21)[C@](C)(CC[NH+](C)C)CCC3	ZINC000039202893	183014721	/nfs/dbraw/zinc/01/47/21/183014721.db2.gz	NANKLWVEZBBEPF-NRFANRHFSA-N	1	0	312.501	4.769	1	0		DJAFRO
CC(C)(C)CC[C@@]1(C(=O)c2cc3ccccc3s2)CC[NH2+]C1	ZINC000058591502	184123990	/nfs/dbraw/zinc/12/39/90/184123990.db2.gz	MUCOWQIQUFKAFL-LJQANCHMSA-N	1	0	315.482	4.890	1	0		DJAFRO
Cc1cccc2nc(C(=O)[C@]3(CCC(C)(C)C)CC[NH2+]C3)ccc12	ZINC000062225360	184224077	/nfs/dbraw/zinc/22/40/77/184224077.db2.gz	PJIMUTYPWDGKIC-OAQYLSRUSA-N	1	0	324.468	4.532	1	0		DJAFRO
Fc1ccc(C(CCC[NH+]2CCCC2)c2ccc(F)cc2)cc1	ZINC000066080242	184387383	/nfs/dbraw/zinc/38/73/83/184387383.db2.gz	BSTMSNFGLPFRII-UHFFFAOYSA-N	1	0	315.407	4.973	1	0		DJAFRO
Clc1ccc2c(c1Cl)CC[C@H]1[NH2+]C[C@H](c3ccccc3)[C@@H]21	ZINC000096929834	185392256	/nfs/dbraw/zinc/39/22/56/185392256.db2.gz	XWQSXOFSOWLMBI-DJIMGWMZSA-N	1	0	318.247	4.779	1	0		DJAFRO
Clc1ccc([C@@H]([NH2+]Cc2ccccc2)c2cccnc2)cc1	ZINC000072103858	191037046	/nfs/dbraw/zinc/03/70/46/191037046.db2.gz	HAELQGQVVUKSQY-LJQANCHMSA-N	1	0	308.812	4.614	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cccc(F)c2F)n1	ZINC000072184716	191072019	/nfs/dbraw/zinc/07/20/19/191072019.db2.gz	OTMSBHNKINRSSF-GFCCVEGCSA-N	1	0	308.372	4.678	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cc(F)ccc2F)n1	ZINC000072184535	191072480	/nfs/dbraw/zinc/07/24/80/191072480.db2.gz	IKWALFKUNLHMFA-LBPRGKRZSA-N	1	0	308.372	4.678	1	0		DJAFRO
C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@@H](C)c1ccccc12	ZINC000073224293	191296247	/nfs/dbraw/zinc/29/62/47/191296247.db2.gz	OGVMKMWWCQCBBY-IRXDYDNUSA-N	1	0	307.437	4.830	1	0		DJAFRO
C/C=C(/CC[C@H]1[NH2+]CC[C@H]2c3ccccc3N[C@@H]21)[Si](C)(C)C	ZINC000195516632	201397265	/nfs/dbraw/zinc/39/72/65/201397265.db2.gz	NSHWEQKTJYYKNJ-LMTZPLIISA-N	1	0	314.549	4.530	1	0		DJAFRO
CC(C)[N@H+](C)CC1=C([C@@H](C)c2ccccn2)c2ccccc2C1	ZINC000013493500	181856138	/nfs/dbraw/zinc/85/61/38/181856138.db2.gz	DHRLTOSMTNHHKC-INIZCTEOSA-N	1	0	306.453	4.535	1	0		DJAFRO
c1ccc([C@@H]2C[C@H]([NH+](C3CC3)C3CC3)Cc3ccccc32)cc1	ZINC000026824468	182454537	/nfs/dbraw/zinc/45/45/37/182454537.db2.gz	DNPCTTJNHXANCI-IRLDBZIGSA-N	1	0	303.449	4.760	1	0		DJAFRO
c1ccc(CC[NH2+][C@@H]2C(c3ccccc3)=C[C@H]3CC[C@@H]2C3)cc1	ZINC000027656250	182486862	/nfs/dbraw/zinc/48/68/62/182486862.db2.gz	CBLHFUXAJZAODA-DWLFOUALSA-N	1	0	303.449	4.701	1	0		DJAFRO
FC(F)(F)c1ccc(-c2ccc3c(c2)C[C@H]2C[NH2+]C[C@@H]3C2)cc1	ZINC000028472160	182524808	/nfs/dbraw/zinc/52/48/08/182524808.db2.gz	UOODLUFDPIXJIH-WBMJQRKESA-N	1	0	317.354	4.622	1	0		DJAFRO
O[C@H]1CC[C@@](c2cc3ccccc3s2)([NH+]2CCCCC2)CC1	ZINC000100799686	193805017	/nfs/dbraw/zinc/80/50/17/193805017.db2.gz	XCRQRSQHLAPUGC-UWUNEBHHSA-N	1	0	315.482	4.517	1	0		DJAFRO
O[C@H]1CC[C@](c2cc3ccccc3s2)([NH+]2CCCCC2)CC1	ZINC000100799689	193804855	/nfs/dbraw/zinc/80/48/55/193804855.db2.gz	XCRQRSQHLAPUGC-RUCARUNLSA-N	1	0	315.482	4.517	1	0		DJAFRO
CCC[N@H+](CCc1ccccc1)[C@H]1CCc2c(cccc2OC)C1	ZINC000039249748	183015430	/nfs/dbraw/zinc/01/54/30/183015430.db2.gz	FIVSMYOXPMQPKY-FQEVSTJZSA-N	1	0	323.480	4.507	1	0		DJAFRO
c1ccc(CC[C@@H]2c3ccccc3O[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000040585329	183105711	/nfs/dbraw/zinc/10/57/11/183105711.db2.gz	GARPLAIHIRVBJF-IFMALSPDSA-N	1	0	321.464	4.650	1	0		DJAFRO
c1ccc(CC[C@H]2c3ccccc3O[C@@H]2C[NH+]2CCCCC2)cc1	ZINC000040585331	183105956	/nfs/dbraw/zinc/10/59/56/183105956.db2.gz	GARPLAIHIRVBJF-RBBKRZOGSA-N	1	0	321.464	4.650	1	0		DJAFRO
CCCCCCOc1ccc(C(=O)[C@H](C[NH+](C)C)C(C)C)cc1	ZINC000043022208	183329521	/nfs/dbraw/zinc/32/95/21/183329521.db2.gz	QXUOIARNVDAWBZ-LJQANCHMSA-N	1	0	319.489	4.662	1	0		DJAFRO
Clc1ccc2[nH]c3c[n+](CCCc4ccccc4)ccc3c2c1	ZINC000045366083	183501754	/nfs/dbraw/zinc/50/17/54/183501754.db2.gz	MVRRBTGRJATMBM-UHFFFAOYSA-O	1	0	321.831	4.895	1	0		DJAFRO
Clc1ccc(-c2cc([C@H]3C[C@@H]4CC[C@H]3[NH2+]4)cnc2Cl)cc1	ZINC000049784564	183758969	/nfs/dbraw/zinc/75/89/69/183758969.db2.gz	JBYSHMJPLMNRKF-SQWLQELKSA-N	1	0	319.235	4.663	1	0		DJAFRO
CC(C)(C)CC[C@]1(C(=O)c2cc3ccccc3s2)CC[NH2+]C1	ZINC000062225321	184224259	/nfs/dbraw/zinc/22/42/59/184224259.db2.gz	MUCOWQIQUFKAFL-IBGZPJMESA-N	1	0	315.482	4.890	1	0		DJAFRO
c1ccc(CNc2c(Cc3ccccc3)[nH+]c3ccccn32)cc1	ZINC000095559211	185380027	/nfs/dbraw/zinc/38/00/27/185380027.db2.gz	PJTRPXYJVCHELS-UHFFFAOYSA-N	1	0	313.404	4.537	1	0		DJAFRO
CC(C)n1c2ccccc2c2cc[n+](Cc3ccccc3)cc21	ZINC000096922758	185391859	/nfs/dbraw/zinc/39/18/59/185391859.db2.gz	AGFPVOGNMGXNML-UHFFFAOYSA-N	1	0	301.413	4.711	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cc(F)ccc2F)n1	ZINC000072184534	191071699	/nfs/dbraw/zinc/07/16/99/191071699.db2.gz	IKWALFKUNLHMFA-GFCCVEGCSA-N	1	0	308.372	4.678	1	0		DJAFRO
Cc1ccccc1[C@H](OC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccccc1	ZINC000003625627	181042444	/nfs/dbraw/zinc/04/24/44/181042444.db2.gz	ZYPPUARTBAUFPJ-XQXKNUKBSA-N	1	0	321.464	4.726	1	0		DJAFRO
C(=C\c1ccccc1)\COCC1CC[NH+](Cc2ccccc2)CC1	ZINC000026390580	182440011	/nfs/dbraw/zinc/44/00/11/182440011.db2.gz	AMRCLUNCVPHMMQ-GHXNOFRVSA-N	1	0	321.464	4.629	1	0		DJAFRO
CCC[NH+](CCC)[C@@H]1Cc2cc(O)ccc2[C@H]1c1ccccc1	ZINC000027420078	182472137	/nfs/dbraw/zinc/47/21/37/182472137.db2.gz	UKBSEXXIPDXGCH-NHCUHLMSSA-N	1	0	309.453	4.571	1	0		DJAFRO
CCC[NH2+][C@@H]1[C@H](CCC)Cc2cccc(OC)c2[C@@H]1CCC	ZINC000027736059	182489108	/nfs/dbraw/zinc/48/91/08/182489108.db2.gz	JEKLTWABILTIGQ-FUHIMQAGSA-N	1	0	303.490	4.920	1	0		DJAFRO
CCCCC1(O)CC[NH+](C(c2ccccc2)c2ccccc2)CC1	ZINC000028817133	182540020	/nfs/dbraw/zinc/54/00/20/182540020.db2.gz	REUKRNAMFNVGPA-UHFFFAOYSA-N	1	0	323.480	4.793	1	0	in-vivo	DJAFRO
C[NH2+]CCS[C@H]1Cc2ccccc2Sc2ccc(F)cc21	ZINC000039291719	183016649	/nfs/dbraw/zinc/01/66/49/183016649.db2.gz	QXNTYHHAXXLKHO-KRWDZBQOSA-N	1	0	319.470	4.527	1	0		DJAFRO
CC(C)[C@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CC[N@@H+]1C	ZINC000040861146	183143694	/nfs/dbraw/zinc/14/36/94/183143694.db2.gz	IEZNENQPFVMLHV-LEWJYISDSA-N	1	0	323.480	4.911	1	0		DJAFRO
[NH3+]C[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000043154435	183341507	/nfs/dbraw/zinc/34/15/07/183341507.db2.gz	AUOZLNRXVPELRP-NHYWBVRUSA-N	1	0	306.236	4.646	1	0		DJAFRO
Clc1ccccc1-c1nc(C[NH+]2CCCCCCC2)co1	ZINC000064399378	184296253	/nfs/dbraw/zinc/29/62/53/184296253.db2.gz	UPEPUVHTPIMTNZ-UHFFFAOYSA-N	1	0	304.821	4.761	1	0		DJAFRO
C[NH2+][C@H]1CCc2ccccc2[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000066260098	184399104	/nfs/dbraw/zinc/39/91/04/184399104.db2.gz	YTBOYUYWXPLZQM-IRXDYDNUSA-N	1	0	306.236	4.660	1	0		DJAFRO
C[N@H+](CCc1ccc(Cl)cc1)CC1=CC[C@H]2C[C@@H]1C2(C)C	ZINC000095564185	185380217	/nfs/dbraw/zinc/38/02/17/185380217.db2.gz	JHZOYQKZONYJMT-WMZOPIPTSA-N	1	0	303.877	4.807	1	0		DJAFRO
CCCC(CCC)[NH2+]Cc1coc(-c2ccccc2OCC)n1	ZINC000072103089	191036594	/nfs/dbraw/zinc/03/65/94/191036594.db2.gz	ULBLOCMANOMSHW-UHFFFAOYSA-N	1	0	316.445	4.799	1	0		DJAFRO
CC(C)[C@@H](C)[NH2+]Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072182694	191072236	/nfs/dbraw/zinc/07/22/36/191072236.db2.gz	PYUQHOPIJZQJMX-CQSZACIVSA-N	1	0	300.446	4.773	1	0		DJAFRO
Oc1ccc(CCCC[NH+]2CCC(c3ccccc3)CC2)cc1	ZINC000013805779	181899441	/nfs/dbraw/zinc/89/94/41/181899441.db2.gz	AYZNNBIBSAZZDZ-UHFFFAOYSA-N	1	0	309.453	4.595	1	0		DJAFRO
C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2c1cccc2OC	ZINC000013835645	181905295	/nfs/dbraw/zinc/90/52/95/181905295.db2.gz	QZDVQQONEBAAHC-SWLSCSKDSA-N	1	0	322.235	4.798	1	0		DJAFRO
CCC(CC)CN1C(Nc2ccccc2)=[NH+]C[C@@H]1CC(C)C	ZINC000015924579	182024302	/nfs/dbraw/zinc/02/43/02/182024302.db2.gz	CSBKGGODYOSAHS-SFHVURJKSA-N	1	0	301.478	4.621	3	0		DJAFRO
[NH3+]CCCS[C@H]1c2ccccc2Oc2cc(Cl)ccc21	ZINC000025969343	182426068	/nfs/dbraw/zinc/42/60/68/182426068.db2.gz	CNPLGPRNHBCNQF-INIZCTEOSA-N	1	0	305.830	4.617	1	0		DJAFRO
Cc1ccccc1NC(=[NH2+])NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2	ZINC000026486197	182442710	/nfs/dbraw/zinc/44/27/10/182442710.db2.gz	NSOJADJSIOHGHB-LGMBCPCJSA-N	1	0	311.473	4.680	1	0		DJAFRO
C[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc21	ZINC000027527216	182475657	/nfs/dbraw/zinc/47/56/57/182475657.db2.gz	SPMRKSIEUHZTAA-CXAGYDPISA-N	1	0	322.235	4.798	1	0		DJAFRO
c1[nH]c2ccccc2c1[C@@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1[NH+]1CCCCC1	ZINC000036093345	182798560	/nfs/dbraw/zinc/79/85/60/182798560.db2.gz	RBUWJVDSTORLDM-ALGWMNEGSA-N	1	0	306.453	4.702	1	0		DJAFRO
C[NH+](C)CCS[C@H]1Cc2ccccc2Sc2ccccc21	ZINC000039291690	183016306	/nfs/dbraw/zinc/01/63/06/183016306.db2.gz	YVPBDQXCDLDRKA-SFHVURJKSA-N	1	0	315.507	4.730	1	0		DJAFRO
Cc1ccc(C[N@@H+]2CC[C@](C)(Oc3ccc(Cl)cc3)C2)cc1	ZINC000061902861	184193575	/nfs/dbraw/zinc/19/35/75/184193575.db2.gz	MEAKLDDLENVIQJ-IBGZPJMESA-N	1	0	315.844	4.692	3	0		DJAFRO
Nc1[nH+]ccc2ccc(NCc3ccc(Cl)c(Cl)c3)cc21	ZINC000066166999	184394384	/nfs/dbraw/zinc/39/43/84/184394384.db2.gz	HECVCVKWJGESHH-UHFFFAOYSA-N	1	0	318.207	4.736	1	0		DJAFRO
Clc1ccc(-c2cn(Cc3ccccc3)c3c2C[NH2+]CC3)cc1	ZINC000066259090	184399177	/nfs/dbraw/zinc/39/91/77/184399177.db2.gz	LCFFJZSDTSAMQD-UHFFFAOYSA-N	1	0	322.839	4.503	1	0		DJAFRO
CCCCn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21	ZINC000096922760	185391795	/nfs/dbraw/zinc/39/17/95/185391795.db2.gz	LTWTWEQCQZROLU-UHFFFAOYSA-N	1	0	315.440	4.930	1	0		DJAFRO
Clc1ccc([C@H]([NH2+]Cc2ccccc2)c2cccnc2)cc1	ZINC000072103857	191036627	/nfs/dbraw/zinc/03/66/27/191036627.db2.gz	HAELQGQVVUKSQY-IBGZPJMESA-N	1	0	308.812	4.614	1	0		DJAFRO
C[C@H]1[C@@H]2C[C@H](C[C@H]1[NH2+]Cc1coc(-c3cccs3)n1)C2(C)C	ZINC000072101331	191037061	/nfs/dbraw/zinc/03/70/61/191037061.db2.gz	NCZITBDRVQJYBN-MYZSUADSSA-N	1	0	316.470	4.563	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1nc(-c2ccc(OC)cc2)oc1C	ZINC000072184281	191071665	/nfs/dbraw/zinc/07/16/65/191071665.db2.gz	ZLRWOFXEEUZVRK-CQSZACIVSA-N	1	0	316.445	4.717	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cc(Cl)ccc2O)n1	ZINC000072184305	191071746	/nfs/dbraw/zinc/07/17/46/191071746.db2.gz	UKFMGRFTWZBADH-LBPRGKRZSA-N	1	0	322.836	4.759	1	0		DJAFRO
C[NH+](C)CCC[C@]1(C)Oc2ccccc2Sc2ccccc21	ZINC000005747931	181280260	/nfs/dbraw/zinc/28/02/60/181280260.db2.gz	NLABLPVBJBTVIV-IBGZPJMESA-N	1	0	313.466	4.787	1	0		DJAFRO
CC[N@@H+]1CC[C@H]2[C@@H](C1)c1ccc(C)cc1[C@@H]2c1ccc(C)cc1	ZINC000005851894	181289783	/nfs/dbraw/zinc/28/97/83/181289783.db2.gz	AYJJTPLDSZAGGA-ILWGZMRPSA-N	1	0	305.465	4.874	1	0		DJAFRO
CC[NH+](CC)CCCCCCC(=O)Nc1c(C)cccc1C	ZINC000027893900	182496350	/nfs/dbraw/zinc/49/63/50/182496350.db2.gz	COCGYCGOMKJVRW-UHFFFAOYSA-N	1	0	304.478	4.534	1	0		DJAFRO
C[NH+](C)[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(O)cc21	ZINC000029481112	182567057	/nfs/dbraw/zinc/56/70/57/182567057.db2.gz	VTUWUYTVHRWRGM-GUYCJALGSA-N	1	0	322.235	4.837	1	0		DJAFRO
C[NH2+][C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21	ZINC000029482961	182567230	/nfs/dbraw/zinc/56/72/30/182567230.db2.gz	CXYCPKLEUHDCJT-LRDDRELGSA-N	1	0	310.199	4.929	1	0		DJAFRO
CC[NH+](CC)CCC[C@H](C)Nc1[nH]ccc2c3ccccc3nc1-2	ZINC000101013042	193806775	/nfs/dbraw/zinc/80/67/75/193806775.db2.gz	OVAWITMIHSJDAX-HNNXBMFYSA-N	1	0	324.472	4.590	1	0		DJAFRO
c1ccc(CC[C@@H]2c3ccccc3O[C@H]2C[NH+]2CCCCC2)cc1	ZINC000040585333	183105717	/nfs/dbraw/zinc/10/57/17/183105717.db2.gz	GARPLAIHIRVBJF-IRLDBZIGSA-N	1	0	321.464	4.650	1	0		DJAFRO
Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C1Cc2ccccc2C1	ZINC000040829506	183139070	/nfs/dbraw/zinc/13/90/70/183139070.db2.gz	FEBFASOFTDUKII-NRFANRHFSA-N	1	0	316.448	4.611	1	0		DJAFRO
Cc1c(O[C@H](C)c2cccc(F)c2)cccc1C1CC[NH2+]CC1	ZINC000040937078	183149271	/nfs/dbraw/zinc/14/92/71/183149271.db2.gz	VLFJECXUHXIQBJ-OAHLLOKOSA-N	1	0	313.416	4.741	1	0		DJAFRO
CCCCCCOc1ccc(C(=O)[C@@H](C[NH+](C)C)C(C)C)cc1	ZINC000043022206	183329919	/nfs/dbraw/zinc/32/99/19/183329919.db2.gz	QXUOIARNVDAWBZ-IBGZPJMESA-N	1	0	319.489	4.662	1	0		DJAFRO
[NH2+]=C(NCCc1ccccc1Cl)c1ccc2ccccc2c1	ZINC000045167902	183486945	/nfs/dbraw/zinc/48/69/45/183486945.db2.gz	LTVPXCJULADODR-UHFFFAOYSA-N	1	0	308.812	4.651	1	0		DJAFRO
FC(F)(F)c1ccc(-c2cccc3c2[C@@H]2C[C@H]3CC[NH2+]2)cc1	ZINC000061942439	184197594	/nfs/dbraw/zinc/19/75/94/184197594.db2.gz	PAJBEXDVWULISM-WBMJQRKESA-N	1	0	303.327	4.894	1	0		DJAFRO
Cc1ccc(C(=O)[C@]2(CCC(C)(C)C)CC[NH2+]C2)cc1Cl	ZINC000062225294	184223963	/nfs/dbraw/zinc/22/39/63/184223963.db2.gz	MZGJPVOTOHUEGK-GOSISDBHSA-N	1	0	307.865	4.637	1	0		DJAFRO
C[NH2+][C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066102395	184389547	/nfs/dbraw/zinc/38/95/47/184389547.db2.gz	KDERKEZKMQCRPQ-ZFWWWQNUSA-N	1	0	306.236	4.660	1	0		DJAFRO
C[C@@]1(c2nc3ccccc3[nH]2)CCCC2=[NH+]c3ccccc3CN21	ZINC000095568162	185380183	/nfs/dbraw/zinc/38/01/83/185380183.db2.gz	CJKMNGYTSPWFGE-FQEVSTJZSA-N	1	0	316.408	4.508	3	0		DJAFRO
C[NH+](C)CCCCC[C@H](c1ccc(Cl)cc1)c1ccccn1	ZINC000169349867	197744948	/nfs/dbraw/zinc/74/49/48/197744948.db2.gz	JEGXCIKLLPNDSJ-GOSISDBHSA-N	1	0	316.876	4.989	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(F)cc2F)n1	ZINC000072103390	191036930	/nfs/dbraw/zinc/03/69/30/191036930.db2.gz	VYDNNKJIUBVZFM-GFCCVEGCSA-N	1	0	308.372	4.678	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1nc(-c2cccc(OC)c2)oc1C	ZINC000072182168	191071915	/nfs/dbraw/zinc/07/19/15/191071915.db2.gz	GGHFLJOIDJSOID-AWEZNQCLSA-N	1	0	316.445	4.717	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1	ZINC000072180917	191071934	/nfs/dbraw/zinc/07/19/34/191071934.db2.gz	MXKHJPSDXQGVRL-LBPRGKRZSA-N	1	0	308.372	4.678	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1nc(-c2ccccc2F)oc1C	ZINC000072184277	191072168	/nfs/dbraw/zinc/07/21/68/191072168.db2.gz	VBEKLOYMDPYLET-ZDUSSCGKSA-N	1	0	304.409	4.848	1	0		DJAFRO
C[C@H]1C[C@H](C)C[NH+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072185420	191073335	/nfs/dbraw/zinc/07/33/35/191073335.db2.gz	QEGSAFTXTFQAIA-HOTGVXAUSA-N	1	0	320.436	4.973	1	0		DJAFRO
C[C@@H]1[C@H]2C[C@@H](C[C@@H]1[NH2+]Cc1coc(-c3cccs3)n1)C2(C)C	ZINC000072185200	191073652	/nfs/dbraw/zinc/07/36/52/191073652.db2.gz	NCZITBDRVQJYBN-OSRDXIQISA-N	1	0	316.470	4.563	1	0		DJAFRO
CSc1ccc([C@@H]2C[N@@H+]3CCC[C@@H]3c3c(C)cccc32)cc1	ZINC000003784440	181046475	/nfs/dbraw/zinc/04/64/75/181046475.db2.gz	XXJIJVCRQQOZNH-RBUKOAKNSA-N	1	0	309.478	4.999	1	0		DJAFRO
C[C@@H]1c2c3cc(Cl)c(Cl)cc3[nH]c2C[C@@H]2CC[N@@H+](C)C[C@@H]12	ZINC000003989925	181060728	/nfs/dbraw/zinc/06/07/28/181060728.db2.gz	UEAKXCHESFVOJA-NHCYSSNCSA-N	1	0	323.267	4.702	1	0		DJAFRO
CCSCCC[NH+](CCCSCC)CCCSCC	ZINC000005839482	181288207	/nfs/dbraw/zinc/28/82/07/181288207.db2.gz	ZIDLCNFPTORJAZ-UHFFFAOYSA-N	1	0	323.637	4.718	1	0		DJAFRO
COc1ccc2cc([C@H]3[C@H]4CC[C@H](C4)[C@@H]3C[NH+](C)C)ccc2c1	ZINC000013553223	181861434	/nfs/dbraw/zinc/86/14/34/181861434.db2.gz	GDIDBVDYSJUGMI-LGYWMIHWSA-N	1	0	309.453	4.540	1	0		DJAFRO
c1ccc2c(c1)[nH]c1c2CC[NH2+][C@H]1Cc1cccc2ccccc21	ZINC000026667981	182449725	/nfs/dbraw/zinc/44/97/25/182449725.db2.gz	DGANJOHHVPOURX-NRFANRHFSA-N	1	0	312.416	4.751	1	0		DJAFRO
CC(=O)c1ccc2c(c1)/C(=C\CC[NH+](C)C)c1ccccc1S2	ZINC000040511698	183087400	/nfs/dbraw/zinc/08/74/00/183087400.db2.gz	DCAQTZFBQRYLGZ-PXNMLYILSA-N	1	0	323.461	4.737	1	0		DJAFRO
CC[NH+](CC)Cc1ccc2c(c1)-c1[nH]nc(-c3ccsc3)c1C2	ZINC000040567277	183103739	/nfs/dbraw/zinc/10/37/39/183103739.db2.gz	SSJCJGVOKOWXHB-UHFFFAOYSA-N	1	0	323.465	4.551	1	0		DJAFRO
Cc1ccc(C[N@@H+]2CC[C@@](C)(Oc3ccc(Cl)cc3)C2)cc1	ZINC000061902860	184193596	/nfs/dbraw/zinc/19/35/96/184193596.db2.gz	MEAKLDDLENVIQJ-LJQANCHMSA-N	1	0	315.844	4.692	3	0		DJAFRO
CC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2Cl)n1	ZINC000064399339	184296240	/nfs/dbraw/zinc/29/62/40/184296240.db2.gz	IYCAKPIEQSJGDY-CQSZACIVSA-N	1	0	304.821	4.760	1	0		DJAFRO
C[NH2+][C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066102397	184389791	/nfs/dbraw/zinc/38/97/91/184389791.db2.gz	KDERKEZKMQCRPQ-HIFRSBDPSA-N	1	0	306.236	4.660	1	0		DJAFRO
Clc1cccc(-c2cn(Cc3ccccc3)c3c2C[NH2+]CC3)c1	ZINC000066258722	184399406	/nfs/dbraw/zinc/39/94/06/184399406.db2.gz	MABFHWXLMDXVQO-UHFFFAOYSA-N	1	0	322.839	4.503	1	0		DJAFRO
CC[N@@H+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@H](C)[C@H]1c1ccccc1	ZINC000013468435	563381772	/nfs/dbraw/zinc/38/17/72/563381772.db2.gz	SFCJAXKHIYXCGG-OBMJPTGESA-N	1	0	307.437	4.646	1	0		DJAFRO
COc1cc2c(cc1[C@H](C)[NH2+]Cc1ccccc1)C=CC(C)(C)O2	ZINC000096932043	185392447	/nfs/dbraw/zinc/39/24/47/185392447.db2.gz	YYHBOUVNIMWRMK-HNNXBMFYSA-N	1	0	323.436	4.730	1	0		DJAFRO
C[C@H]1CCC[N@@H+]1CCc1ccc2nc(-c3ccoc3)ccc2c1	ZINC000072182753	191072138	/nfs/dbraw/zinc/07/21/38/191072138.db2.gz	ZTMMRPYTOJQXRD-HNNXBMFYSA-N	1	0	306.409	4.522	1	0		DJAFRO
C[C@@H]1CCCC[C@H]1[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072183522	191072197	/nfs/dbraw/zinc/07/21/97/191072197.db2.gz	MNVVWCSXVDCFMZ-MLGOLLRUSA-N	1	0	304.821	4.663	1	0		DJAFRO
c1cc2c(s1)C=COC21CC[NH+](CC2CCCCC2)CC1	ZINC000084654278	192450877	/nfs/dbraw/zinc/45/08/77/192450877.db2.gz	FFAQRPBBIZKKKZ-UHFFFAOYSA-N	1	0	303.471	4.620	1	0		DJAFRO
C[C@H]1CCC[C@@]23CC[N@H+](C=C4CCC4)[C@@H](Cc4ccc(O)cc42)[C@H]13	ZINC000195050030	201331463	/nfs/dbraw/zinc/33/14/63/201331463.db2.gz	VBZDZWBYKYVNKN-NUXXPKPISA-N	1	0	323.480	4.764	1	0		DJAFRO
C[NH+](C)Cc1ccccc1Sc1cccc(C(F)(F)F)c1	ZINC000006637841	181363821	/nfs/dbraw/zinc/36/38/21/181363821.db2.gz	TVYXGLWTICSLOM-UHFFFAOYSA-N	1	0	311.372	4.918	1	0		DJAFRO
Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)c(C)c1	ZINC000013153312	181833906	/nfs/dbraw/zinc/83/39/06/181833906.db2.gz	JFVXGMCWCRFNIA-QRQLOZEOSA-N	1	0	303.490	4.877	1	0		DJAFRO
C[N@@H+]1CCCC[C@@H]1CC1(c2cccs2)SCCCS1	ZINC000013554196	181861112	/nfs/dbraw/zinc/86/11/12/181861112.db2.gz	PIQAHPVTHFYANL-CYBMUJFWSA-N	1	0	313.557	4.645	1	0		DJAFRO
C[NH+](C)C1CCC2(CC1)O[C@H](c1ccccc1)c1ccccc12	ZINC000027707646	182488146	/nfs/dbraw/zinc/48/81/46/182488146.db2.gz	XWKWJLYPSGDFBE-TWMPVWRBSA-N	1	0	307.437	4.506	1	0		DJAFRO
FC(F)(F)c1cccc([C@H]2C[N@@H+]3CCC[C@H]3c3ccccc32)c1	ZINC000028008542	182504877	/nfs/dbraw/zinc/50/48/77/182504877.db2.gz	LWXKKDYZAXBAPH-MSOLQXFVSA-N	1	0	317.354	4.988	1	0		DJAFRO
C[NH+](C)[C@@H]1C[C@@H](c2ccc(F)cc2)c2ccc(C(F)(F)F)cc21	ZINC000029482056	182566728	/nfs/dbraw/zinc/56/67/28/182566728.db2.gz	HKHUDNZBYVBGEA-DOTOQJQBSA-N	1	0	323.333	4.983	1	0		DJAFRO
CC[NH+](CC)Cn1c(/C=C/c2ccccc2)nc2ccccc21	ZINC000032016821	182631712	/nfs/dbraw/zinc/63/17/12/182631712.db2.gz	WWZBSGYFMZWAPR-CCEZHUSRSA-N	1	0	305.425	4.506	1	0		DJAFRO
C[C@H](NC1=[NH+]CCCCC1)c1ccc2c(c1)Cc1ccccc1-2	ZINC000039369534	183017432	/nfs/dbraw/zinc/01/74/32/183017432.db2.gz	ICRWYJLRZKTTSZ-HNNXBMFYSA-N	1	0	304.437	4.881	1	0		DJAFRO
C[N@@H+]1CC[C@H](OC(c2ccccc2)c2ccccc2)CC1(C)C	ZINC000040428952	183066228	/nfs/dbraw/zinc/06/62/28/183066228.db2.gz	XWDZEPBTRUYMDW-IBGZPJMESA-N	1	0	309.453	4.665	1	0		DJAFRO
CSc1ccc(Oc2ccc(Cl)cc2C[NH+](C)C)cc1	ZINC000040834039	183139877	/nfs/dbraw/zinc/13/98/77/183139877.db2.gz	YBOXDTVMHIUYEG-UHFFFAOYSA-N	1	0	307.846	4.916	1	0		DJAFRO
C[NH+](C)Cc1ccccc1Sc1ccc(C(F)(F)F)cc1	ZINC000040955883	183151414	/nfs/dbraw/zinc/15/14/14/183151414.db2.gz	JIIHYINDBVZYIB-UHFFFAOYSA-N	1	0	311.372	4.918	1	0		DJAFRO
Cc1ccc(C(=O)[C@@]2(CCC(C)(C)C)CC[NH2+]C2)cc1Cl	ZINC000058580982	184123634	/nfs/dbraw/zinc/12/36/34/184123634.db2.gz	MZGJPVOTOHUEGK-SFHVURJKSA-N	1	0	307.865	4.637	1	0		DJAFRO
COc1ccc(C[N@@H+]2CC[C@H]3C[C@@H]2c2cc(Cl)ccc23)cc1	ZINC000061942345	184197486	/nfs/dbraw/zinc/19/74/86/184197486.db2.gz	ZIEZOPLNSZFWFY-IFXJQAMLSA-N	1	0	313.828	4.783	1	0		DJAFRO
C[NH2+]C[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066099703	184388999	/nfs/dbraw/zinc/38/89/99/184388999.db2.gz	NDCNHLIWHOBKGK-BLLLJJGKSA-N	1	0	320.263	4.907	1	0		DJAFRO
[NH3+]C[C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066100520	184389069	/nfs/dbraw/zinc/38/90/69/184389069.db2.gz	AUOZLNRXVPELRP-XHDPSFHLSA-N	1	0	306.236	4.646	1	0		DJAFRO
CCCC[C@@H]1CN(c2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+]	ZINC000028821796	134671658	/nfs/dbraw/zinc/67/16/58/134671658.db2.gz	MJPQDQGCCPPUBX-DYESRHJHSA-N	1	0	324.468	4.823	1	0		DJAFRO
CC[NH+]1[C@@H](c2ccccc2)[C@H](C)C(=O)[C@@H](C)[C@@H]1c1ccccc1	ZINC000013468437	563382038	/nfs/dbraw/zinc/38/20/38/563382038.db2.gz	SFCJAXKHIYXCGG-XAMWDVODSA-N	1	0	307.437	4.646	1	0		DJAFRO
c1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1	ZINC000095584120	185381797	/nfs/dbraw/zinc/38/17/97/185381797.db2.gz	CLTKEDPZPCYCIO-YADHBBJMSA-N	1	0	317.432	4.502	1	0	in-vitro	DJAFRO
CCSC[C@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1	ZINC000096914791	185391263	/nfs/dbraw/zinc/39/12/63/185391263.db2.gz	BUHYNSCVXFKNPC-ZDUSSCGKSA-N	1	0	318.313	4.830	1	0		DJAFRO
C[C@@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072183520	191071801	/nfs/dbraw/zinc/07/18/01/191071801.db2.gz	MNVVWCSXVDCFMZ-WBMJQRKESA-N	1	0	304.821	4.663	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2ccc(F)c(F)c2)n1	ZINC000072180916	191071853	/nfs/dbraw/zinc/07/18/53/191071853.db2.gz	MXKHJPSDXQGVRL-GFCCVEGCSA-N	1	0	308.372	4.678	1	0		DJAFRO
Cc1ccccc1-c1nc(C[NH2+]C23CC4CC(CC(C4)C2)C3)co1	ZINC000072181828	191072323	/nfs/dbraw/zinc/07/23/23/191072323.db2.gz	WCINNOHVXQKQQM-UHFFFAOYSA-N	1	0	322.452	4.708	1	0		DJAFRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072185421	191072987	/nfs/dbraw/zinc/07/29/87/191072987.db2.gz	QEGSAFTXTFQAIA-HZPDHXFCSA-N	1	0	320.436	4.973	1	0		DJAFRO
Cc1ccccc1-c1nc2ccccc2c(Nc2cc[nH+]cc2)n1	ZINC000004258426	181088668	/nfs/dbraw/zinc/08/86/68/181088668.db2.gz	KGRMJQMDCWZCHR-UHFFFAOYSA-N	1	0	312.376	4.744	1	0		DJAFRO
COc1ccc2c(c1)C1(CCC2)CC[NH+](Cc2ccccc2)CC1	ZINC000013455541	181851937	/nfs/dbraw/zinc/85/19/37/181851937.db2.gz	FXQYMNMASSQJFS-UHFFFAOYSA-N	1	0	321.464	4.565	1	0		DJAFRO
C[NH2+]CC[C@@H](Oc1cccc2ccccc21)c1ccc(C)cc1	ZINC000013588076	181866458	/nfs/dbraw/zinc/86/64/58/181866458.db2.gz	BBPHSCYBCPQBRH-HXUWFJFHSA-N	1	0	305.421	4.878	1	0		DJAFRO
C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(OC)c21	ZINC000013835647	181905093	/nfs/dbraw/zinc/90/50/93/181905093.db2.gz	LYOGLLHWAGMJNE-SWLSCSKDSA-N	1	0	322.235	4.798	1	0		DJAFRO
Cc1cccc(CC[N@@H+]2CC[C@@](C)(c3cccc(O)c3)[C@@H](C)C2)c1	ZINC000013833016	181905269	/nfs/dbraw/zinc/90/52/69/181905269.db2.gz	GFAIEOUMNCNUKZ-PGRDOPGGSA-N	1	0	323.480	4.543	1	0		DJAFRO
CC(C)C[C@H]1C[NH+]=C(Nc2ccccc2)N1CCC1CCCC1	ZINC000015924657	182025353	/nfs/dbraw/zinc/02/53/53/182025353.db2.gz	ZKWBMFJRROCNHI-IBGZPJMESA-N	1	0	313.489	4.765	3	0		DJAFRO
C[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2c1cccc2OC	ZINC000027552147	182476647	/nfs/dbraw/zinc/47/66/47/182476647.db2.gz	QZDVQQONEBAAHC-IUODEOHRSA-N	1	0	322.235	4.798	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2sc(F)cc21)c1ccccc1	ZINC000028378946	182522688	/nfs/dbraw/zinc/52/26/88/182522688.db2.gz	XRNUTAPACJFQQW-HNNXBMFYSA-N	1	0	315.413	4.770	1	0		DJAFRO
CCC[NH+](CCC)[C@@H]1COc2c(cccc2-c2ccccc2)C1	ZINC000029340333	182561243	/nfs/dbraw/zinc/56/12/43/182561243.db2.gz	OYEKUFKQGCYWCG-IBGZPJMESA-N	1	0	309.453	4.779	1	0		DJAFRO
CCn1c2ccc(Cl)cc2c2c1[C@@](C)(CC[NH+](C)C)CCC2	ZINC000039202891	183014740	/nfs/dbraw/zinc/01/47/40/183014740.db2.gz	RCBLQBHDXUQMCQ-LJQANCHMSA-N	1	0	318.892	4.860	1	0		DJAFRO
CCc1cccc2c3c(n(CC)c21)[C@@](C)(CC[NH+](C)C)CCC3	ZINC000039202894	183014801	/nfs/dbraw/zinc/01/48/01/183014801.db2.gz	NANKLWVEZBBEPF-OAQYLSRUSA-N	1	0	312.501	4.769	1	0		DJAFRO
C[NH+](C)CCSC1=Cc2ccccc2Sc2ccccc21	ZINC000039291679	183016500	/nfs/dbraw/zinc/01/65/00/183016500.db2.gz	VOEHVCNOLCEKGF-UHFFFAOYSA-N	1	0	313.491	4.944	1	0		DJAFRO
N#[N+]c1ccc(-c2ccc(C3=CSC4=NCCN34)cc2)cc1	ZINC000040934814	183148723	/nfs/dbraw/zinc/14/87/23/183148723.db2.gz	WUJHXYSDEBCTOW-UHFFFAOYSA-N	1	0	305.386	4.555	1	0		DJAFRO
NC(=[NH2+])c1ccc2cc(/C=C(\Cl)c3ccccc3)ccc2c1	ZINC000042964550	183324246	/nfs/dbraw/zinc/32/42/46/183324246.db2.gz	ASCHEXJPJSWYSH-WQRHYEAKSA-N	1	0	306.796	4.861	1	0		DJAFRO
C[NH2+]C[C@@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066100524	184389038	/nfs/dbraw/zinc/38/90/38/184389038.db2.gz	NDCNHLIWHOBKGK-MLGOLLRUSA-N	1	0	320.263	4.907	1	0		DJAFRO
CCCCCn1c(N)[nH+]cc1-c1ccc(-c2ccccc2)cc1	ZINC000066103342	184389755	/nfs/dbraw/zinc/38/97/55/184389755.db2.gz	XJDFASJILKQNKT-UHFFFAOYSA-N	1	0	305.425	4.990	1	0		DJAFRO
C[NH2+][C@H]1CCc2ccccc2[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000066104725	184389925	/nfs/dbraw/zinc/38/99/25/184389925.db2.gz	YTBOYUYWXPLZQM-DLBZAZTESA-N	1	0	306.236	4.660	1	0		DJAFRO
Nc1cc(Cl)cc2c3cc(NCc4ccccc4)[nH+]cc3[nH]c21	ZINC000095556657	185379739	/nfs/dbraw/zinc/37/97/39/185379739.db2.gz	WBMXOGFEELVCJY-UHFFFAOYSA-N	1	0	322.799	4.564	1	0		DJAFRO
Clc1cccc(Cl)c1O[C@H](c1ccccc1)[C@@H]1CC[NH2+]C1	ZINC000095586919	185381496	/nfs/dbraw/zinc/38/14/96/185381496.db2.gz	URVPSAOJVKMKND-CZUORRHYSA-N	1	0	322.235	4.723	1	0		DJAFRO
COc1ccc2c(c1)CCCN2c1cc(C)[nH+]c2ccccc21	ZINC000096910970	185391049	/nfs/dbraw/zinc/39/10/49/185391049.db2.gz	JZGLPKGGBIDFME-UHFFFAOYSA-N	1	0	304.393	4.636	1	0		DJAFRO
Clc1ccc(-c2nc(C[NH2+]C3CCCCCC3)co2)cc1	ZINC000072182961	191072278	/nfs/dbraw/zinc/07/22/78/191072278.db2.gz	UXBAMUVSCRJZQU-UHFFFAOYSA-N	1	0	304.821	4.807	1	0		DJAFRO
CCCCC[C@H](C)[NH2+]Cc1coc(-c2cc(F)cc(F)c2)n1	ZINC000072183441	191072564	/nfs/dbraw/zinc/07/25/64/191072564.db2.gz	NWAFRARUYNSPAT-LBPRGKRZSA-N	1	0	308.372	4.678	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cc(Cl)ccc2O)n1	ZINC000072184304	191072601	/nfs/dbraw/zinc/07/26/01/191072601.db2.gz	UKFMGRFTWZBADH-GFCCVEGCSA-N	1	0	322.836	4.759	1	0		DJAFRO
C[C@@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](C)c1ccccc12	ZINC000073224292	191296257	/nfs/dbraw/zinc/29/62/57/191296257.db2.gz	OGVMKMWWCQCBBY-DLBZAZTESA-N	1	0	307.437	4.830	1	0		DJAFRO
FC(F)(F)c1ccccc1[C@H]1c2ccccc2[C@H]2[NH2+]CCC[C@@H]12	ZINC000005934896	181298027	/nfs/dbraw/zinc/29/80/27/181298027.db2.gz	JVJAODDHUIXLQJ-CGTJXYLNSA-N	1	0	317.354	4.892	1	0		DJAFRO
S=C(Nc1ccccc1)c1ccc(C[NH+]2CCCCC2)s1	ZINC000006578389	181356311	/nfs/dbraw/zinc/35/63/11/181356311.db2.gz	QQLZARPXTMEXSR-UHFFFAOYSA-N	1	0	316.495	4.522	1	0		DJAFRO
Cc1ccc(C[NH+]2CCC3(CCCc4ccccc43)CC2)cc1	ZINC000013455504	181852362	/nfs/dbraw/zinc/85/23/62/181852362.db2.gz	UJQXCFMWQIJGRX-UHFFFAOYSA-N	1	0	305.465	4.865	1	0		DJAFRO
CC(C)(C)c1ccc(C2=Cc3ccccc3C3=[NH+]CCCN23)cc1	ZINC000013555241	181861136	/nfs/dbraw/zinc/86/11/36/181861136.db2.gz	QFUQUZHTOIJKGG-UHFFFAOYSA-N	1	0	316.448	4.948	1	0		DJAFRO
Cc1c(Cl)cccc1O[C@H](c1ccccc1)C1CC[NH2+]CC1	ZINC000013530948	181858675	/nfs/dbraw/zinc/85/86/75/181858675.db2.gz	ZBGZSYCCKZNBEE-LJQANCHMSA-N	1	0	315.844	4.768	1	0		DJAFRO
Fc1ccc(O[C@@H](c2ccc(Cl)cc2)C2CC[NH2+]CC2)cc1	ZINC000013530930	181858796	/nfs/dbraw/zinc/85/87/96/181858796.db2.gz	RHNJZLARQGOLRU-SFHVURJKSA-N	1	0	319.807	4.599	1	0		DJAFRO
CCCCOc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)[N@@H+](C)CC3	ZINC000013651058	181873808	/nfs/dbraw/zinc/87/38/08/181873808.db2.gz	DINTXTDBANVGIA-GIVPXCGWSA-N	1	0	313.485	4.554	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1cccc(C)c1	ZINC000013588075	181866500	/nfs/dbraw/zinc/86/65/00/181866500.db2.gz	CGAIDLFOIWNVLO-FQEVSTJZSA-N	1	0	305.421	4.878	1	0		DJAFRO
CC[C@@H](C)CCN1C(Nc2ccccc2)=[NH+]C[C@@H]1CC(C)C	ZINC000015924576	182024653	/nfs/dbraw/zinc/02/46/53/182024653.db2.gz	HMDZJAPFKZRDDQ-AEFFLSMTSA-N	1	0	301.478	4.621	3	0		DJAFRO
C[C@@H](Cn1ccc2ccc3ncccc3c21)[NH2+]CC1CCCCC1	ZINC000028568273	182529199	/nfs/dbraw/zinc/52/91/99/182529199.db2.gz	WKHUJGFKHHPASV-INIZCTEOSA-N	1	0	321.468	4.748	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccsc21)c1cccc(F)c1	ZINC000028392366	182522389	/nfs/dbraw/zinc/52/23/89/182522389.db2.gz	FWZJVHHPXRZWNP-INIZCTEOSA-N	1	0	315.413	4.770	1	0		DJAFRO
COc1ccc(Nc2c3ccccc3[nH+]c3c2CCCC3)cc1	ZINC000040568054	183103728	/nfs/dbraw/zinc/10/37/28/183103728.db2.gz	AAKBMJHTPGXIDP-UHFFFAOYSA-N	1	0	304.393	4.866	1	0		DJAFRO
Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C1Cc2ccccc2C1	ZINC000040829504	183139246	/nfs/dbraw/zinc/13/92/46/183139246.db2.gz	FEBFASOFTDUKII-OAQYLSRUSA-N	1	0	316.448	4.611	1	0		DJAFRO
CCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1[C@H]2C[NH3+]	ZINC000040937717	183148854	/nfs/dbraw/zinc/14/88/54/183148854.db2.gz	IEOVMMSCCNWORJ-QFIPXVFZSA-N	1	0	323.480	4.813	1	0		DJAFRO
Cc1c(COc2cccc(Cl)c2)cccc1C1CC[NH2+]CC1	ZINC000040939805	183149577	/nfs/dbraw/zinc/14/95/77/183149577.db2.gz	UYHWYOZDMSEWHQ-UHFFFAOYSA-N	1	0	315.844	4.694	1	0		DJAFRO
CCCCCCOc1ccc(C(=O)CC[NH+](C)C)cc1SC	ZINC000042921421	183318147	/nfs/dbraw/zinc/31/81/47/183318147.db2.gz	AUIGTMRTVIJXIS-UHFFFAOYSA-N	1	0	323.502	4.502	1	0		DJAFRO
Cc1cccc2nc(C(=O)[C@@]3(CCC(C)(C)C)CC[NH2+]C3)ccc12	ZINC000058581366	184123698	/nfs/dbraw/zinc/12/36/98/184123698.db2.gz	PJIMUTYPWDGKIC-NRFANRHFSA-N	1	0	324.468	4.532	1	0		DJAFRO
Cc1ccc(C[N@@H+]2CC[C@](C)(Oc3cccc(Cl)c3)C2)cc1	ZINC000061905156	184194223	/nfs/dbraw/zinc/19/42/23/184194223.db2.gz	CFAFHFCOSOKAPO-IBGZPJMESA-N	1	0	315.844	4.692	3	0		DJAFRO
C[NH2+]C[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066100526	184389436	/nfs/dbraw/zinc/38/94/36/184389436.db2.gz	NDCNHLIWHOBKGK-WBMJQRKESA-N	1	0	320.263	4.907	1	0		DJAFRO
c1ccc(Cc2[nH+]c3ccccn3c2NC2CCCCC2)cc1	ZINC000095561634	185379945	/nfs/dbraw/zinc/37/99/45/185379945.db2.gz	BRCCTTLEVIKKQQ-UHFFFAOYSA-N	1	0	305.425	4.670	1	0		DJAFRO
CC(C)Cn1c2ccccc2c2cc[n+](Cc3ccccc3)cc21	ZINC000096922761	185391838	/nfs/dbraw/zinc/39/18/38/185391838.db2.gz	QWCVMVWNSYOIAF-UHFFFAOYSA-N	1	0	315.440	4.786	1	0		DJAFRO
Clc1ccc([C@@H]([NH2+]CC2CCCCC2)c2cccnc2)cc1	ZINC000072102716	191036428	/nfs/dbraw/zinc/03/64/28/191036428.db2.gz	CHDXMPOBTGDHKS-LJQANCHMSA-N	1	0	314.860	4.994	1	0		DJAFRO
CCOc1ccccc1-c1nc(C[N@H+]2[C@H](C)CCC[C@@H]2C)co1	ZINC000072183218	191071624	/nfs/dbraw/zinc/07/16/24/191071624.db2.gz	VNEUYUTZOVZAET-GASCZTMLSA-N	1	0	314.429	4.503	1	0		DJAFRO
c1cc(C2CCCCC2)ccc1OCCC[NH+]1CCCCC1	ZINC000072179585	191071678	/nfs/dbraw/zinc/07/16/78/191071678.db2.gz	FBZSCRZWBGBTTM-UHFFFAOYSA-N	1	0	301.474	4.989	1	0		DJAFRO
c1oc(-c2cccc3ccccc32)nc1C[NH+]1CCCCCC1	ZINC000072182610	191072675	/nfs/dbraw/zinc/07/26/75/191072675.db2.gz	FCYUPHIMPNNDJE-UHFFFAOYSA-N	1	0	306.409	4.871	1	0		DJAFRO
C[C@@H]1[C@H]2C[C@@H](C[C@H]1[NH2+]Cc1coc(-c3cccs3)n1)C2(C)C	ZINC000072185201	191073906	/nfs/dbraw/zinc/07/39/06/191073906.db2.gz	NCZITBDRVQJYBN-AYRXBEOTSA-N	1	0	316.470	4.563	1	0		DJAFRO
C[NH+](C)CCC[C@@]1(c2ccccc2)OC(C)(C)c2ccccc21	ZINC000005765947	181282016	/nfs/dbraw/zinc/28/20/16/181282016.db2.gz	JMKKUONSGMKXDD-NRFANRHFSA-N	1	0	309.453	4.537	1	0		DJAFRO
[NH2+]=C(C=Cc1ccccc1)NCc1cc(Cl)ccc1Cl	ZINC000013487826	181854901	/nfs/dbraw/zinc/85/49/01/181854901.db2.gz	IWCAMQMPTNFBOA-RMKNXTFCSA-N	1	0	305.208	4.774	1	0		DJAFRO
C[NH2+]CC[C@@H](Oc1ccc(F)c2sccc21)c1ccccc1	ZINC000028388140	182522374	/nfs/dbraw/zinc/52/23/74/182522374.db2.gz	FWXAHOQYGHIPNV-MRXNPFEDSA-N	1	0	315.413	4.770	1	0		DJAFRO
Cc1ccccc1-c1cc(NCCC[NH+](C)C)c2ccccc2n1	ZINC000028639509	182532825	/nfs/dbraw/zinc/53/28/25/182532825.db2.gz	DQKAVBMZFFAFTG-UHFFFAOYSA-N	1	0	319.452	4.574	1	0		DJAFRO
Oc1cccc([C@]23CC[C@H](C2)[N@H+](CCc2ccccc2)CCC3)c1	ZINC000040670396	183115455	/nfs/dbraw/zinc/11/54/55/183115455.db2.gz	NFAYGIAJXMVMNW-IFMALSPDSA-N	1	0	321.464	4.521	1	0		DJAFRO
Cc1c(O[C@@H](C)c2cccc(F)c2)cccc1C1CC[NH2+]CC1	ZINC000040829463	183139420	/nfs/dbraw/zinc/13/94/20/183139420.db2.gz	VLFJECXUHXIQBJ-HNNXBMFYSA-N	1	0	313.416	4.741	1	0		DJAFRO
COc1ccc2cc(C[C@@H](C)[NH2+]Cc3ccccc3)ccc2c1	ZINC000040847540	183141080	/nfs/dbraw/zinc/14/10/80/183141080.db2.gz	KYXRSMFSOLANEF-MRXNPFEDSA-N	1	0	305.421	4.569	1	0	in-vivo	DJAFRO
CCCCCCc1ccc2c(c1)Cc1cc(OC)ccc1[C@@H]2C[NH3+]	ZINC000040937716	183149039	/nfs/dbraw/zinc/14/90/39/183149039.db2.gz	IEOVMMSCCNWORJ-JOCHJYFZSA-N	1	0	323.480	4.813	1	0		DJAFRO
CC(C)([NH3+])c1cccc(C(F)(F)C(F)(F)c2ccccc2)c1	ZINC000060222806	184145774	/nfs/dbraw/zinc/14/57/74/184145774.db2.gz	QGHFCTJCUCZMSJ-UHFFFAOYSA-N	1	0	311.322	4.764	1	0		DJAFRO
Nc1[nH+]cc(-c2ccc(-c3ccccc3)cc2)n1C1CCCC1	ZINC000066104155	184389639	/nfs/dbraw/zinc/38/96/39/184389639.db2.gz	AABLZXVSOORENQ-UHFFFAOYSA-N	1	0	303.409	4.914	1	0		DJAFRO
C[C@@H]1CCCC[N@@H+]1Cc1coc(-c2cccc3ccccc32)n1	ZINC000072103519	191036972	/nfs/dbraw/zinc/03/69/72/191036972.db2.gz	GFTRXIBHOMDQEG-OAHLLOKOSA-N	1	0	306.409	4.869	1	0		DJAFRO
CC(C)[C@H](C)[NH2+]Cc1coc(-c2ccc(C(C)(C)C)cc2)n1	ZINC000072182695	191071596	/nfs/dbraw/zinc/07/15/96/191071596.db2.gz	PYUQHOPIJZQJMX-AWEZNQCLSA-N	1	0	300.446	4.773	1	0		DJAFRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072185419	191073297	/nfs/dbraw/zinc/07/32/97/191073297.db2.gz	QEGSAFTXTFQAIA-IYBDPMFKSA-N	1	0	320.436	4.973	1	0		DJAFRO
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)cc2c1	ZINC000013863706	181908234	/nfs/dbraw/zinc/90/82/34/181908234.db2.gz	ZOSXETOROOEORH-UHFFFAOYSA-N	1	0	311.388	4.786	1	0		DJAFRO
CCC[C@H]([NH3+])c1nc2ccccc2n1Cc1ccc(Cl)cc1	ZINC000019734777	182139951	/nfs/dbraw/zinc/13/99/51/182139951.db2.gz	YRHJQSJIBHRQCD-HNNXBMFYSA-N	1	0	313.832	4.538	1	0		DJAFRO
C[NH2+]CC[C@@H](Oc1cccc2sc(F)cc21)c1ccccc1	ZINC000028378151	182522500	/nfs/dbraw/zinc/52/25/00/182522500.db2.gz	XRNUTAPACJFQQW-OAHLLOKOSA-N	1	0	315.413	4.770	1	0		DJAFRO
C[NH2+]CC[C@@H](Oc1cccc2ccsc21)c1cccc(F)c1	ZINC000028392360	182522629	/nfs/dbraw/zinc/52/26/29/182522629.db2.gz	FWZJVHHPXRZWNP-MRXNPFEDSA-N	1	0	315.413	4.770	1	0		DJAFRO
CC(C)[NH2+][C@H]1CCC[C@@H](Nc2ccnc3cc(Cl)ccc32)C1	ZINC000029052660	182550400	/nfs/dbraw/zinc/55/04/00/182550400.db2.gz	HFVIXALFEXYGMK-LSDHHAIUSA-N	1	0	317.864	4.609	1	0		DJAFRO
CC(C)[C@@H]1C[C@@H](OC(c2ccccc2)c2ccccc2)CC[N@@H+]1C	ZINC000040393907	183060805	/nfs/dbraw/zinc/06/08/05/183060805.db2.gz	IEZNENQPFVMLHV-SFTDATJTSA-N	1	0	323.480	4.911	1	0		DJAFRO
C[C@@]1(Oc2ccccc2)CC[N@H+](Cc2csc3ccccc23)C1	ZINC000061904619	184194118	/nfs/dbraw/zinc/19/41/18/184194118.db2.gz	XCQVVJYTTVUGNG-HXUWFJFHSA-N	1	0	323.461	4.945	3	0		DJAFRO
FC(F)(F)c1ccc(-c2cccc3c2[C@H]2C[C@@H]3CC[NH2+]2)cc1	ZINC000061942437	184197296	/nfs/dbraw/zinc/19/72/96/184197296.db2.gz	PAJBEXDVWULISM-BLLLJJGKSA-N	1	0	303.327	4.894	1	0		DJAFRO
C[C@]1(C2CCCCC2)O[C@@]2(C3CCCCC3)CC[C@@H]1[C@H]([NH3+])C2	ZINC000085543355	560071015	/nfs/dbraw/zinc/07/10/15/560071015.db2.gz	NMPKLEXXSBJBOW-WTGUMLROSA-N	1	0	305.506	4.802	1	0	biogenic,in-vitro	DJAFRO
C[C@]1(c2nc3ccccc3[nH]2)CCCC2=[NH+]c3ccccc3CN21	ZINC000095568161	185380288	/nfs/dbraw/zinc/38/02/88/185380288.db2.gz	CJKMNGYTSPWFGE-HXUWFJFHSA-N	1	0	316.408	4.508	3	0		DJAFRO
c1ccc([C@H]([C@@H](c2ccccc2)[NH+]2CCCC2)N2CCCC2)cc1	ZINC000095579980	185381220	/nfs/dbraw/zinc/38/12/20/185381220.db2.gz	XAMJZICIEQIVJK-FGZHOGPDSA-N	1	0	320.480	4.661	1	0		DJAFRO
C[C@@H]1CCC[N@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072103260	191037136	/nfs/dbraw/zinc/03/71/36/191037136.db2.gz	TXWWQXTYWUCLHU-OAHLLOKOSA-N	1	0	306.409	4.727	1	0		DJAFRO
CCCCC[C@@H](C)[NH2+]Cc1coc(-c2cc(F)cc(F)c2)n1	ZINC000072183440	191072607	/nfs/dbraw/zinc/07/26/07/191072607.db2.gz	NWAFRARUYNSPAT-GFCCVEGCSA-N	1	0	308.372	4.678	1	0		DJAFRO
CC(C)(C)C[NH2+]Cc1coc(-c2ccc(Cl)cc2Cl)n1	ZINC000072185807	191073183	/nfs/dbraw/zinc/07/31/83/191073183.db2.gz	PCFPXQUKUVXSMU-UHFFFAOYSA-N	1	0	313.228	4.784	1	0		DJAFRO
[NH3+]C[C@H](OCc1ccc(-c2ccccc2)cc1)c1ccccc1	ZINC000084703973	192458840	/nfs/dbraw/zinc/45/88/40/192458840.db2.gz	RDHGSZMIANFAQP-NRFANRHFSA-N	1	0	303.405	4.570	1	0		DJAFRO
c1ccc2c(c1)C1C[C@@H](C[NH+]3CCCCC3)C2c2ccccc21	ZINC000003634468	181043096	/nfs/dbraw/zinc/04/30/96/181043096.db2.gz	UXPDNEXBQDOGCB-XDGVHFHYSA-N	1	0	303.449	4.770	1	0		DJAFRO
C/C=C(/CC[C@@H]1[NH2+]CC[C@H]2c3ccccc3N[C@@H]21)[Si](C)(C)C	ZINC000195516631	201396189	/nfs/dbraw/zinc/39/61/89/201396189.db2.gz	NSHWEQKTJYYKNJ-BHWGSIKMSA-N	1	0	314.549	4.530	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccccc21)c1ccc(OC)cc1	ZINC000013588083	181866671	/nfs/dbraw/zinc/86/66/71/181866671.db2.gz	CRAGVFOTRKKIFB-FQEVSTJZSA-N	1	0	321.420	4.578	1	0		DJAFRO
C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccc(Cc2ccccc2)cc1	ZINC000013805340	181899427	/nfs/dbraw/zinc/89/94/27/181899427.db2.gz	ZLTJCKKPCLOWLK-OALUTQOASA-N	1	0	323.480	4.919	1	0		DJAFRO
c1ccc([C@H]2C[C@H]([NH+](C3CC3)C3CC3)Cc3ccccc32)cc1	ZINC000013832629	181904919	/nfs/dbraw/zinc/90/49/19/181904919.db2.gz	DNPCTTJNHXANCI-IFMALSPDSA-N	1	0	303.449	4.760	1	0		DJAFRO
CCC[C@H]([NH3+])c1nc2ccccc2n1Cc1cccc(Cl)c1	ZINC000019734785	182139928	/nfs/dbraw/zinc/13/99/28/182139928.db2.gz	DHOADVOMRQGEJH-HNNXBMFYSA-N	1	0	313.832	4.538	1	0		DJAFRO
CC(C)[NH+]1CCC(Sc2c[nH]c3ccc(Cl)cc23)CC1	ZINC000027884158	182495391	/nfs/dbraw/zinc/49/53/91/182495391.db2.gz	UVNIJODROUEOHS-UHFFFAOYSA-N	1	0	308.878	4.786	1	0		DJAFRO
CCC[C@H](c1ccccc1)[NH+]1CCC(O)(c2ccccc2)CC1	ZINC000028708089	182535778	/nfs/dbraw/zinc/53/57/78/182535778.db2.gz	HVKSQGJIDXVAKX-HXUWFJFHSA-N	1	0	309.453	4.511	1	0	in-vivo	DJAFRO
C[C@H]1CCC[C@H](C)[NH+]1CCc1cccc([C@@H](O)c2ccccc2)c1	ZINC000029411120	182564832	/nfs/dbraw/zinc/56/48/32/182564832.db2.gz	OJYOGMQSURVNAJ-SPEDKVCISA-N	1	0	323.480	4.574	1	0		DJAFRO
CC(C)[C@H]1C[C@@H](N(Cc2ccccc2)c2ccccc2)CC[N@@H+]1C	ZINC000040423914	183065439	/nfs/dbraw/zinc/06/54/39/183065439.db2.gz	MJZAEYRJXFRWHY-FCHUYYIVSA-N	1	0	322.496	4.812	1	0		DJAFRO
CO[C@H](c1ccc(Cl)c(Cl)c1)c1ccccc1C[NH+](C)C	ZINC000040431312	183066210	/nfs/dbraw/zinc/06/62/10/183066210.db2.gz	WIRLAQOJZGABAO-QGZVFWFLSA-N	1	0	324.251	4.791	1	0		DJAFRO
c1cc2cc(N(Cc3ccccc3)C3CC[NH2+]CC3)ccc2s1	ZINC000043022000	183329649	/nfs/dbraw/zinc/32/96/49/183329649.db2.gz	RNLDMCBNMHSZQI-UHFFFAOYSA-N	1	0	322.477	4.660	1	0		DJAFRO
C[NH2+][C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066157377	184393452	/nfs/dbraw/zinc/39/34/52/184393452.db2.gz	KDERKEZKMQCRPQ-DZGCQCFKSA-N	1	0	306.236	4.660	1	0		DJAFRO
C[NH2+]C[C@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000066157083	184393509	/nfs/dbraw/zinc/39/35/09/184393509.db2.gz	NDCNHLIWHOBKGK-LRDDRELGSA-N	1	0	320.263	4.907	1	0		DJAFRO
C[NH+](C)CCCN1c2ccccc2Sc2cccc(Cl)c21	ZINC000029486719	535833594	/nfs/dbraw/zinc/83/35/94/535833594.db2.gz	OVZNWDHXCOGAPQ-UHFFFAOYSA-N	1	0	318.873	4.894	1	0		DJAFRO
CC(C)CC[C@H]1CCC[C@H]([C@]23CC[C@H]([C@H]([NH3+])C2)C(C)(C)O3)C1	ZINC000085543369	560071019	/nfs/dbraw/zinc/07/10/19/560071019.db2.gz	AOAINXPVTJHQLE-LYYGHALDSA-N	1	0	307.522	4.904	1	0	biogenic,in-vitro	DJAFRO
Clc1cc(Cl)cc(O[C@H](c2ccccc2)[C@@H]2CC[NH2+]C2)c1	ZINC000095587791	185381700	/nfs/dbraw/zinc/38/17/00/185381700.db2.gz	MJNJOFYBUSUCSO-CXAGYDPISA-N	1	0	322.235	4.723	1	0		DJAFRO
Clc1cccc(Cl)c1O[C@@H](c1ccccc1)[C@H]1CC[NH2+]C1	ZINC000095588857	185381919	/nfs/dbraw/zinc/38/19/19/185381919.db2.gz	URVPSAOJVKMKND-BBRMVZONSA-N	1	0	322.235	4.723	1	0		DJAFRO
Clc1cc(Cl)cc(O[C@@H](c2ccccc2)[C@H]2CC[NH2+]C2)c1	ZINC000095588734	185382126	/nfs/dbraw/zinc/38/21/26/185382126.db2.gz	MJNJOFYBUSUCSO-GUYCJALGSA-N	1	0	322.235	4.723	1	0		DJAFRO
CC[NH+](CC)CC[C@@H](C)Cc1cc(Cl)c2cccnc2c1O	ZINC000095598370	185382289	/nfs/dbraw/zinc/38/22/89/185382289.db2.gz	YVTILXWESGQCOC-CYBMUJFWSA-N	1	0	320.864	4.504	1	0		DJAFRO
CCSC[C@@H](c1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1	ZINC000096914790	185391250	/nfs/dbraw/zinc/39/12/50/185391250.db2.gz	BUHYNSCVXFKNPC-CYBMUJFWSA-N	1	0	318.313	4.830	1	0		DJAFRO
C[C@H]1[C@@H]2C[C@H](C[C@@H]1[NH2+]Cc1coc(-c3cccs3)n1)C2(C)C	ZINC000072101330	191036412	/nfs/dbraw/zinc/03/64/12/191036412.db2.gz	NCZITBDRVQJYBN-NEBZKDRISA-N	1	0	316.470	4.563	1	0		DJAFRO
C[C@H]1CCC[N@H+](Cc2coc(-c3cccc4ccccc43)n2)C1	ZINC000072103261	191036567	/nfs/dbraw/zinc/03/65/67/191036567.db2.gz	TXWWQXTYWUCLHU-HNNXBMFYSA-N	1	0	306.409	4.727	1	0		DJAFRO
Clc1ccc([C@H]([NH2+]CC2CCCCC2)c2cccnc2)cc1	ZINC000072102717	191036936	/nfs/dbraw/zinc/03/69/36/191036936.db2.gz	CHDXMPOBTGDHKS-IBGZPJMESA-N	1	0	314.860	4.994	1	0		DJAFRO
Cc1ccc(-c2nc(C[NH2+]C34CC5CC(CC(C5)C3)C4)co2)cc1	ZINC000072141495	191048991	/nfs/dbraw/zinc/04/89/91/191048991.db2.gz	JZNKKIJVQAGYIN-UHFFFAOYSA-N	1	0	322.452	4.708	1	0		DJAFRO
C[C@H]1CCC[N@@H+]1CCc1ccc2nc(-c3cccs3)ccc2c1	ZINC000072182503	191071875	/nfs/dbraw/zinc/07/18/75/191071875.db2.gz	WCQVQORJCDHBCN-HNNXBMFYSA-N	1	0	322.477	4.990	1	0		DJAFRO
C[C@H]1CCCC[C@@H]1[NH2+]Cc1coc(-c2ccccc2Cl)n1	ZINC000072183521	191072782	/nfs/dbraw/zinc/07/27/82/191072782.db2.gz	MNVVWCSXVDCFMZ-LRDDRELGSA-N	1	0	304.821	4.663	1	0		DJAFRO
[NH3+]C[C@@H](OCc1ccc(-c2ccccc2)cc1)c1ccccc1	ZINC000084703974	192458807	/nfs/dbraw/zinc/45/88/07/192458807.db2.gz	RDHGSZMIANFAQP-OAQYLSRUSA-N	1	0	303.405	4.570	1	0		DJAFRO
c1ccc2c(c1)C1C[C@H](C[NH+]3CCCCC3)C2c2ccccc21	ZINC000003634469	181042758	/nfs/dbraw/zinc/04/27/58/181042758.db2.gz	UXPDNEXBQDOGCB-NYYVNYEXSA-N	1	0	303.449	4.770	1	0		DJAFRO
C[C@H](c1ccccc1)[NH+]1CCC2(CC1)O[C@H](C)c1ccccc12	ZINC000073224294	191295881	/nfs/dbraw/zinc/29/58/81/191295881.db2.gz	OGVMKMWWCQCBBY-IAGOWNOFSA-N	1	0	307.437	4.830	1	0		DJAFRO
C[NH+](C)[C@H]1C[C@H](c2ccc(Br)cc2)c2ccccc21	ZINC000005965210	181301677	/nfs/dbraw/zinc/30/16/77/181301677.db2.gz	FAVRAXVBHORDCR-SJORKVTESA-N	1	0	316.242	4.587	1	0		DJAFRO
c1ccc(C2(c3ccccc3)CC[C@@H]([C@H]3CCCC[NH2+]3)C2)cc1	ZINC000013453642	181851596	/nfs/dbraw/zinc/85/15/96/181851596.db2.gz	HEBSPEQPBSFXJV-WIYYLYMNSA-N	1	0	305.465	4.915	1	0		DJAFRO
CCCCCCc1ccc2c(c1)CCc1ccccc1[C@@H]2C[NH3+]	ZINC000013536473	181859785	/nfs/dbraw/zinc/85/97/85/181859785.db2.gz	RLPMYGGITWAOAS-QFIPXVFZSA-N	1	0	307.481	4.999	1	0		DJAFRO
CC(C)CCCN1C(Nc2ccccc2)=[NH+]C[C@@H]1CC(C)C	ZINC000015924706	182025394	/nfs/dbraw/zinc/02/53/94/182025394.db2.gz	LHLJTHPNSHNCRK-SFHVURJKSA-N	1	0	301.478	4.621	3	0		DJAFRO
CC[C@H](c1ccccc1)N1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941599	182343480	/nfs/dbraw/zinc/34/34/80/182343480.db2.gz	SJIMHAZVVWCGGD-QYZOEREBSA-N	1	0	314.860	4.565	1	0		DJAFRO
C[NH2+]CC[C@H](Oc1cccc2ccsc21)c1ccccc1F	ZINC000028378125	182522635	/nfs/dbraw/zinc/52/26/35/182522635.db2.gz	AKEJOBKQFKYDFL-INIZCTEOSA-N	1	0	315.413	4.770	1	0		DJAFRO
C[NH2+][C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2ccc(F)cc21	ZINC000029482964	182566993	/nfs/dbraw/zinc/56/69/93/182566993.db2.gz	CXYCPKLEUHDCJT-MLGOLLRUSA-N	1	0	310.199	4.929	1	0		DJAFRO
Clc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(-c2ccccc2)c1	ZINC000101387210	193811938	/nfs/dbraw/zinc/81/19/38/193811938.db2.gz	GYNVBZHVGBAXPA-IZZQQSIFSA-N	1	0	313.828	4.669	1	0		DJAFRO
CCn1c2ccc(Cl)cc2c2c1[C@](C)(CC[NH+](C)C)CCC2	ZINC000039202892	183014900	/nfs/dbraw/zinc/01/49/00/183014900.db2.gz	RCBLQBHDXUQMCQ-IBGZPJMESA-N	1	0	318.892	4.860	1	0		DJAFRO
COc1ccc2cc(C[C@H](C)[NH2+]Cc3ccccc3)ccc2c1	ZINC000040847538	183140813	/nfs/dbraw/zinc/14/08/13/183140813.db2.gz	KYXRSMFSOLANEF-INIZCTEOSA-N	1	0	305.421	4.569	1	0	in-vivo	DJAFRO
C[NH2+]Cc1ccc(C(F)(F)F)cc1Oc1ccc(Cl)cc1	ZINC000040980496	183154555	/nfs/dbraw/zinc/15/45/55/183154555.db2.gz	OJLXPNXGJXIUAY-UHFFFAOYSA-N	1	0	315.722	4.871	1	0		DJAFRO
[NH3+]C[C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)c(Cl)c2)C1	ZINC000043154434	183341527	/nfs/dbraw/zinc/34/15/27/183341527.db2.gz	AUOZLNRXVPELRP-ABAIWWIYSA-N	1	0	306.236	4.646	1	0		DJAFRO
Cc1ccc(OCCCC[NH2+][C@H]2CCC[C@H](C)[C@@H]2C)c(C)c1	ZINC000005013723	563329042	/nfs/dbraw/zinc/32/90/42/563329042.db2.gz	JFVXGMCWCRFNIA-WDSOQIARSA-N	1	0	303.490	4.877	1	0		DJAFRO