smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(/C=C/[n+]1cccc(Cc2ccccc2)c1)c1ccccc1	ZINC000005279178	181226028	/nfs/dbraw/zinc/22/60/28/181226028.db2.gz	DMWTUBYPKHYXPU-FYWRMAATSA-N	1	0	300.381	3.919	40	30		DHEBRO
N#Cc1ccc(C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)cc1	ZINC000038540145	183001828	/nfs/dbraw/zinc/00/18/28/183001828.db2.gz	XIHOPAZAWAEQGE-UHFFFAOYSA-N	1	0	316.408	3.814	40	30		DHEBRO
CCCCCCCCCCCC[NH2+]CCOCCOCCO	ZINC000100924228	256566666	/nfs/dbraw/zinc/56/66/66/256566666.db2.gz	KGVUTBSQQOLMMT-UHFFFAOYSA-N	1	0	317.514	3.522	40	30		DHEBRO
C#CC1(OC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)CCCCC1	ZINC000012419866	563920919	/nfs/dbraw/zinc/92/09/19/563920919.db2.gz	ZDVTUYCBMIYESX-KRWDZBQOSA-N	1	0	321.505	3.743	40	30		DHEBRO
Cc1cc(C)c(NC(=O)C[N+]2=C(C)c3ccccc3CC2)c(C)c1	ZINC000005538436	563330328	/nfs/dbraw/zinc/33/03/28/563330328.db2.gz	DADXGNWLWBVXLZ-UHFFFAOYSA-O	1	0	321.444	3.628	40	30		DHEBRO
C[C@H](C(=NO)c1ccc(F)cc1)[N+](=O)C=CCc1ccccc1	ZINC000013098316	257211110	/nfs/dbraw/zinc/21/11/10/257211110.db2.gz	GTKHLZQDCHZPPA-MSBFFBGCSA-N	1	0	312.344	3.687	40	30		DHEBRO
CC[NH+](CC)CC#CCOc1ccc(/C=C\c2ccccn2)cc1	ZINC000004367229	520569008	/nfs/dbraw/zinc/56/90/08/520569008.db2.gz	KVSMTQFEWHAXLV-RAXLEYEMSA-N	1	0	320.436	3.976	40	30		DHEBRO
C=CCOc1ccc(C[NH2+]Cc2ccc(OC)cc2)cc1OC	ZINC000007538472	563781026	/nfs/dbraw/zinc/78/10/26/563781026.db2.gz	AGANBHKFZMZVQS-UHFFFAOYSA-N	1	0	313.397	3.558	40	30		DHEBRO
C=C[C@@H]1C[NH2+]CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc21	ZINC000001583682	563841210	/nfs/dbraw/zinc/84/12/10/563841210.db2.gz	DKRSEIPLAZTSFD-HUUCEWRRSA-N	1	0	324.424	3.618	40	30	in-man	DHEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1	ZINC000035446836	563867403	/nfs/dbraw/zinc/86/74/03/563867403.db2.gz	QFRZIRPLEIOTKU-INIZCTEOSA-N	1	0	308.429	3.804	40	30	biogenic,in-vitro	DHEBRO
O=C(C[n+]1ccccc1)N1c2ccccc2Sc2ccccc21	ZINC000004129512	181077602	/nfs/dbraw/zinc/07/76/02/181077602.db2.gz	CIMGPYQVMUSPCV-UHFFFAOYSA-N	1	0	319.409	3.804	40	30		DHEBRO
Fc1ccc(/[NH+]=C(/CN2CCCCC2)N2CCCCC2)cc1	ZINC000004952444	181179141	/nfs/dbraw/zinc/17/91/41/181179141.db2.gz	PYEZFNLNLQEPOP-ZZEZOPTASA-N	1	0	303.425	3.828	40	30		DHEBRO
CC/[NH+]=C(/CC(=O)C12CC3CC(CC(C3)C1)C2)N(CC)CC	ZINC000005493437	181249201	/nfs/dbraw/zinc/24/92/01/181249201.db2.gz	STSASRLOIHAXCI-ZZEZOPTASA-N	1	0	304.478	3.922	40	30		DHEBRO
Cc1ccc(C(=O)C[n+]2cn(C(F)F)c3ccccc32)cc1	ZINC000005812380	181285708	/nfs/dbraw/zinc/28/57/08/181285708.db2.gz	UBVOONROEQYUBB-UHFFFAOYSA-N	1	0	301.316	3.515	40	30		DHEBRO
C[NH+](C)CC/C=C1/c2ccccc2COc2ccc(CC=O)cc21	ZINC000065748294	184378360	/nfs/dbraw/zinc/37/83/60/184378360.db2.gz	CTBUVTVWLYTOGO-UWVJOHFNSA-N	1	0	321.420	3.704	40	30	in-vitro	DHEBRO
CCN(CC)c1ccc(/C=[NH+]/OCc2ccccc2C#N)cc1	ZINC000408587890	257229145	/nfs/dbraw/zinc/22/91/45/257229145.db2.gz	ALKVGGDHGHLBMD-KGENOOAVSA-N	1	0	307.397	3.955	40	30		DHEBRO
CCCCCCC[C@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1	ZINC000001710522	520068170	/nfs/dbraw/zinc/06/81/70/520068170.db2.gz	OQZCZSWPTMPBTB-HNNXBMFYSA-N	1	0	306.450	3.764	40	30		DHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000017062420	520292551	/nfs/dbraw/zinc/29/25/51/520292551.db2.gz	BSCCMANYMDMSMD-YHWKNFMLSA-N	1	0	317.429	3.756	40	30		DHEBRO
O=C(C[n+]1ccccc1)c1cc2c(c3ccccc13)CCCC2	ZINC000001676943	563290617	/nfs/dbraw/zinc/29/06/17/563290617.db2.gz	DQTYNRVZDNFIMZ-UHFFFAOYSA-N	1	0	302.397	3.889	40	30		DHEBRO
Cc1cccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4[NH+]=C3C2)c1	ZINC000017031799	182069742	/nfs/dbraw/zinc/06/97/42/182069742.db2.gz	RMNMSSDXBADCPS-SZMVWBNQSA-N	1	0	308.425	3.681	40	30		DHEBRO
C[C@@H](C(=NO)c1ccc(F)cc1)[N+](=O)C=CCc1ccccc1	ZINC000013098315	257211025	/nfs/dbraw/zinc/21/10/25/257211025.db2.gz	GTKHLZQDCHZPPA-QDTKBZIMSA-N	1	0	312.344	3.687	40	30		DHEBRO
Cc1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@H]4[NH+]=C3C2)cc1	ZINC000251451222	341416232	/nfs/dbraw/zinc/41/62/32/341416232.db2.gz	CSMWHVVZRQKPJK-CGTJXYLNSA-N	1	0	308.425	3.681	40	30		DHEBRO
CC[NH+](CC)CC#CCOc1ccc(/C=C/c2ccccn2)cc1	ZINC000016969378	520568850	/nfs/dbraw/zinc/56/88/50/520568850.db2.gz	KVSMTQFEWHAXLV-JLHYYAGUSA-N	1	0	320.436	3.976	40	30		DHEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N/OC(=O)c1ccc(Cl)cc1	ZINC000102957465	563560203	/nfs/dbraw/zinc/56/02/03/563560203.db2.gz	GLDOBCCYPMXHTM-VLFBTDHHSA-N	1	0	308.809	3.605	40	30		DHEBRO
C=CC[N@H+]1CCCC12CCN(C(=O)c1cccc(Cl)c1)CC2	ZINC000096159382	563822442	/nfs/dbraw/zinc/82/24/42/563822442.db2.gz	DETYJXSLKHMXEB-UHFFFAOYSA-N	1	0	318.848	3.597	40	30		DHEBRO
CC[N+](C)(CC#C[C@@](O)(c1ccccc1)C1CCCC1)C(C)C	ZINC000001827088	568413955	/nfs/dbraw/zinc/41/39/55/568413955.db2.gz	MMJITLAKONISGX-ZMFCMNQTSA-N	1	0	314.493	3.943	40	30		DHEBRO
CC[N+]1(CC(=O)c2ccc(Br)cc2)CCCCC1	ZINC000001664820	180884998	/nfs/dbraw/zinc/88/49/98/180884998.db2.gz	ZUTPXBYFHRFTDQ-UHFFFAOYSA-N	1	0	311.243	3.652	40	30		DHEBRO
CC(C)OC(=O)COc1ccc(/C=[NH+]\C2CCCCC2)cc1	ZINC000409187862	257221481	/nfs/dbraw/zinc/22/14/81/257221481.db2.gz	VEPCKSZKRAYVRO-UNOMPAQXSA-N	1	0	303.402	3.769	40	30		DHEBRO
C[NH+](C)CC#C[C@@]1(C)CC[C@@H]2[C@@H](O1)c1ccccc1OC2(C)C	ZINC000001322356	563620423	/nfs/dbraw/zinc/62/04/23/563620423.db2.gz	ABLWHYNYPHIZFJ-KPFFTGBYSA-N	1	0	313.441	3.649	40	30		DHEBRO
C=CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccc(C)s1)C2	ZINC000096050005	563822206	/nfs/dbraw/zinc/82/22/06/563822206.db2.gz	CTCPGFUMYYGCHC-GOSISDBHSA-N	1	0	318.486	3.590	40	30		DHEBRO
C=C(C)C[N+]1(CC#Cc2cccc3ccccc23)CCOCC1	ZINC000003205189	563942803	/nfs/dbraw/zinc/94/28/03/563942803.db2.gz	XXUMNSKBLWCDGD-UHFFFAOYSA-N	1	0	306.429	3.614	40	30		DHEBRO
CC[N+](C)(CC#C[C@](O)(c1ccccc1)C1CCCC1)C(C)C	ZINC000001827090	568413989	/nfs/dbraw/zinc/41/39/89/568413989.db2.gz	MMJITLAKONISGX-HMTLIYDFSA-N	1	0	314.493	3.943	40	30		DHEBRO
Cc1cccc2cc(C#N)c(SCC[NH+]3CCCCC3)nc12	ZINC000004130331	181077376	/nfs/dbraw/zinc/07/73/76/181077376.db2.gz	HJYZZLGIVFRMBI-UHFFFAOYSA-N	1	0	311.454	3.993	40	30		DHEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@H](C)CC)[C@H]3C[C@H]12	ZINC000012660000	181786288	/nfs/dbraw/zinc/78/62/88/181786288.db2.gz	HAMJOCRXXCFPGB-JCIRTYSKSA-N	1	0	305.462	3.689	40	30		DHEBRO
C[NH+](C)C[C@@H]1CCCC/C1=N\OC(=O)c1ccc(Cl)cc1	ZINC000016953385	182065933	/nfs/dbraw/zinc/06/59/33/182065933.db2.gz	GLDOBCCYPMXHTM-BWVAZPDUSA-N	1	0	308.809	3.605	40	30		DHEBRO
Cc1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@@H]4[NH+]=C3C2)cc1	ZINC000017031807	182069967	/nfs/dbraw/zinc/06/99/67/182069967.db2.gz	CSMWHVVZRQKPJK-SZMVWBNQSA-N	1	0	308.425	3.681	40	30		DHEBRO
Cc1ccnc(-c2cc(C)cc[n+]2CC(=O)c2ccccc2)c1	ZINC000015781528	257215385	/nfs/dbraw/zinc/21/53/85/257215385.db2.gz	KAASQBHMDRNJMP-UHFFFAOYSA-N	1	0	303.385	3.536	40	30		DHEBRO
CCCCCCC[C@@H](C)[NH2+]CCOC(=O)c1ccc(N)cc1	ZINC000001995973	563297924	/nfs/dbraw/zinc/29/79/24/563297924.db2.gz	OQZCZSWPTMPBTB-OAHLLOKOSA-N	1	0	306.450	3.764	40	30		DHEBRO
Cc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C#N)ccc4[nH]3)C2)cc1	ZINC000035446864	563867143	/nfs/dbraw/zinc/86/71/43/563867143.db2.gz	ZEFNHPNTSGBRON-KRWDZBQOSA-N	1	0	316.408	3.733	40	30	biogenic,in-vitro	DHEBRO
N#Cc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(F)cc4)C3)nc2c1	ZINC000035446849	563867453	/nfs/dbraw/zinc/86/74/53/563867453.db2.gz	RIXVBWHOVONMKO-HNNXBMFYSA-N	1	0	320.371	3.563	40	30	biogenic,in-vitro	DHEBRO
Cc1ccccc1NC(Nc1ccccc1C)=[NH+]CCCN1CC1	ZINC000004775883	181150201	/nfs/dbraw/zinc/15/02/01/181150201.db2.gz	QUDHHWSLEAGDEC-UHFFFAOYSA-N	1	0	322.456	3.698	40	30		DHEBRO
CCCCC[C@@H](C[NH+](C)C)/C(C[C@H](NO)c1ccccc1)=N\O	ZINC000005385194	181237214	/nfs/dbraw/zinc/23/72/14/181237214.db2.gz	DZQCGSSZWBHDQZ-SIVVQXRPSA-N	1	0	321.465	3.685	40	30		DHEBRO
c1cc2n(c1)-c1ccccc1/C2=N\CCC[NH+]1CCCCCC1	ZINC000016952223	182065563	/nfs/dbraw/zinc/06/55/63/182065563.db2.gz	DPQSNAYORHKKAE-QZQOTICOSA-N	1	0	307.441	3.894	40	30		DHEBRO
C[NH+](C)CCC[C@]1(c2ccccc2)OCc2cc(C#N)ccc21	ZINC000022056126	182307222	/nfs/dbraw/zinc/30/72/22/182307222.db2.gz	DCABXDIJRCWHAL-HXUWFJFHSA-N	1	0	306.409	3.674	40	30	in-vitro	DHEBRO
COc1cc2[nH+]ccc(Nc3ccccc3C#N)c2cc1OC	ZINC000065005249	184308219	/nfs/dbraw/zinc/30/82/19/184308219.db2.gz	HZFWKCPSHVTUKG-UHFFFAOYSA-N	1	0	305.337	3.867	40	30		DHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)Nc1ccc(C)cc1)C2	ZINC000096214777	563822851	/nfs/dbraw/zinc/82/28/51/563822851.db2.gz	CRACISFAXIWSDN-IBGZPJMESA-N	1	0	313.445	3.643	40	30		DHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1OC	ZINC000022074592	519034699	/nfs/dbraw/zinc/03/46/99/519034699.db2.gz	YTCMOZUGOWKCML-UHFFFAOYSA-N	1	0	315.388	3.731	40	30		DHEBRO
C=CC[N+](CC)(CC)CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000004973976	519120702	/nfs/dbraw/zinc/12/07/02/519120702.db2.gz	ZZHQYSPDIUUJFF-GJYPPUQNSA-N	1	0	308.486	3.787	40	30		DHEBRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1	ZINC000006007938	519147285	/nfs/dbraw/zinc/14/72/85/519147285.db2.gz	VKODBKWLFALXDT-APWZRJJASA-N	1	0	311.425	3.506	40	30		DHEBRO
Cc1cccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@H]4[NH+]=C3C2)c1	ZINC000251198107	563920226	/nfs/dbraw/zinc/92/02/26/563920226.db2.gz	RMNMSSDXBADCPS-CGTJXYLNSA-N	1	0	308.425	3.681	40	30		DHEBRO
C[N@@H+]1CCc2[nH]c(=S)c(C#N)c(/C=C/c3ccccc3)c2C1	ZINC000003169848	563942547	/nfs/dbraw/zinc/94/25/47/563942547.db2.gz	SEPBYKHGWVPKIA-BQYQJAHWSA-N	1	0	307.422	3.774	40	30		DHEBRO
C=CCN1CC[NH+]([C@H](Cc2ccccc2)c2ccccc2)CC1	ZINC000019365857	182118985	/nfs/dbraw/zinc/11/89/85/182118985.db2.gz	HKKHRTQSMSJCDX-OAQYLSRUSA-N	1	0	306.453	3.774	40	30		DHEBRO
CC(C)OC(=O)COc1ccc(/C=[NH+]/Cc2ccccc2)cc1	ZINC000409186788	257221428	/nfs/dbraw/zinc/22/14/28/257221428.db2.gz	HVPJAIUQOZNTPJ-DEDYPNTBSA-N	1	0	311.381	3.636	40	30		DHEBRO
C[NH+](C)CCC[C@]1(c2ccc(F)cc2)OCc2ccc(C#N)cc21	ZINC000584577908	337367383	/nfs/dbraw/zinc/36/73/83/337367383.db2.gz	UVTKXTHVLCYUJL-HXUWFJFHSA-N	1	0	324.399	3.813	40	30		DHEBRO
Clc1cccc(/[NH+]=C(/c2ccccc2)N2CCOCC2)c1	ZINC000013111402	563656874	/nfs/dbraw/zinc/65/68/74/563656874.db2.gz	IYDYYKZWKQOHNI-ZPHPHTNESA-N	1	0	300.789	3.751	40	30		DHEBRO
C=CCOc1c(Br)cc(C[NH2+]CCC)cc1OC	ZINC000007262303	563832134	/nfs/dbraw/zinc/83/21/34/563832134.db2.gz	WPESOXIJVGTMQS-UHFFFAOYSA-N	1	0	314.223	3.522	40	30		DHEBRO
C=CCn1cc(C[N@@H+](C)Cc2cccc3ncccc23)c(C)n1	ZINC000057811530	519275604	/nfs/dbraw/zinc/27/56/04/519275604.db2.gz	DXJPPPAVEHEOTD-UHFFFAOYSA-N	1	0	306.413	3.558	40	30		DHEBRO
CCCCCCCCCCCC[NH+](C[C@H](C)O)C[C@H](C)O	ZINC000100049159	563545473	/nfs/dbraw/zinc/54/54/73/563545473.db2.gz	BZJZJFAPSOEUFE-ROUUACIJSA-N	1	0	301.515	3.971	40	30		DHEBRO
O=[N+](Cc1c(Cl)cccc1Cl)CC1(O)CCCCC1	ZINC000002041509	563298587	/nfs/dbraw/zinc/29/85/87/563298587.db2.gz	PSLLPYSMNCHSMW-RQZCQDPDSA-N	1	0	302.201	3.618	40	30		DHEBRO
c1cc2n(c1)-c1ccccc1/C2=N/CCC[NH+]1CCCCCC1	ZINC000005593803	563330643	/nfs/dbraw/zinc/33/06/43/563330643.db2.gz	DPQSNAYORHKKAE-MRCUWXFGSA-N	1	0	307.441	3.894	40	30		DHEBRO
Cc1cc(NN=Cc2ccc(F)cc2)c2cc3c(cc2[nH+]1)OCO3	ZINC000031769267	563440329	/nfs/dbraw/zinc/44/03/29/563440329.db2.gz	GGVVYGGVVSPJOR-UKWGHVSLSA-N	1	0	323.327	3.857	40	30		DHEBRO
CCOc1ccc(C(=O)C[n+]2cccc3cc(C)ccc32)cc1	ZINC000004902880	563623601	/nfs/dbraw/zinc/62/36/01/563623601.db2.gz	KZZLNFRSIWWKMS-UHFFFAOYSA-N	1	0	306.385	3.717	40	30		DHEBRO
CN1C(=S)C(C)(C)[C@H]([NH+]2CCCCC2)/C1=N\C1CCCCC1	ZINC000255188056	563786328	/nfs/dbraw/zinc/78/63/28/563786328.db2.gz	ILXWVNZZIBAUQK-ZBQKJFDRSA-N	1	0	321.534	3.871	40	30		DHEBRO
C=CC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1	ZINC000008495368	563835347	/nfs/dbraw/zinc/83/53/47/563835347.db2.gz	SOZXVOPRRJWUIK-UHFFFAOYSA-N	1	0	301.361	3.689	40	30		DHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000001559690	1024530103	/nfs/dbraw/zinc/53/01/03/1024530103.db2.gz	BSCCMANYMDMSMD-XAVKZTDYSA-N	1	0	317.429	3.756	40	30		DHEBRO
C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N+]1(C)C	ZINC000001593263	180877222	/nfs/dbraw/zinc/87/72/22/180877222.db2.gz	NTSJWSNUOHAEMT-SJORKVTESA-N	1	0	308.445	3.799	40	30		DHEBRO
CN(C)c1cc[n+](CC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000004950098	181178151	/nfs/dbraw/zinc/17/81/51/181178151.db2.gz	KGIUVVMKTGEIGN-UHFFFAOYSA-N	1	0	317.412	3.590	40	30		DHEBRO
C[NH+](C)CCC[C@@]1(c2cccc(F)c2)OCc2cc(C#N)ccc21	ZINC000021985875	182301761	/nfs/dbraw/zinc/30/17/61/182301761.db2.gz	AQLGUGRSRNVGLJ-FQEVSTJZSA-N	1	0	324.399	3.813	40	30		DHEBRO
NN=C1[C@@H]2CCC[C@H]1[C@H](c1ccccc1)[NH2+][C@@H]2c1ccccc1	ZINC000043729434	183384132	/nfs/dbraw/zinc/38/41/32/183384132.db2.gz	KUTYHXVWIWCHLG-QGFMHUBQSA-N	1	0	305.425	3.803	40	30		DHEBRO
CCN(CC)c1ccc(/C=[NH+]/NCc2ccccc2OC)cc1	ZINC000020761980	333385260	/nfs/dbraw/zinc/38/52/60/333385260.db2.gz	VSHUZQNHKKQTOP-XSFVSMFZSA-N	1	0	311.429	3.665	40	30		DHEBRO
CCCCCCCCCCCC[N@H+](C[C@@H](C)O)C[C@H](C)O	ZINC000100049162	563545565	/nfs/dbraw/zinc/54/55/65/563545565.db2.gz	BZJZJFAPSOEUFE-HDICACEKSA-N	1	0	301.515	3.971	40	30		DHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccsc1)[C@H]2CC	ZINC000096052454	563822070	/nfs/dbraw/zinc/82/20/70/563822070.db2.gz	OPAUOSCHSHFSPB-WMZOPIPTSA-N	1	0	318.486	3.670	40	30		DHEBRO
N#CCC[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2	ZINC000006925872	190626148	/nfs/dbraw/zinc/62/61/48/190626148.db2.gz	HWTNLTDTMLGECD-UHFFFAOYSA-N	1	0	307.204	3.609	40	30		DHEBRO
COc1ccc2c(ccc[n+]2CC(=O)c2ccc(SC)cc2)c1	ZINC000001667049	180886074	/nfs/dbraw/zinc/88/60/74/180886074.db2.gz	RLAOHKGZLNQQLD-UHFFFAOYSA-N	1	0	324.425	3.741	40	30		DHEBRO
O=[N+]([O-])c1ccc(N=NC2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000005376315	181236303	/nfs/dbraw/zinc/23/63/03/181236303.db2.gz	IVPDZSQXGAVZLE-UHFFFAOYSA-N	1	0	324.384	3.659	40	30		DHEBRO
CCOC(=O)C1=C(c2ccccc2)Nc2ccccc2[S@+]1C	ZINC000005615073	181264185	/nfs/dbraw/zinc/26/41/85/181264185.db2.gz	NRFDQEKSMPYCEA-QFIPXVFZSA-O	1	0	312.414	3.651	40	30		DHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(CC)cc1)C2	ZINC000096214705	563823160	/nfs/dbraw/zinc/82/31/60/563823160.db2.gz	XJFQWHXRYLQZDQ-HXUWFJFHSA-N	1	0	312.457	3.506	40	30		DHEBRO
[NH2+]=C(CCSc1ccccc1N=Cc1ccccc1O)NO	ZINC000005439890	181243574	/nfs/dbraw/zinc/24/35/74/181243574.db2.gz	MDUOKGCDELWVJW-WOJGMQOQSA-N	1	0	315.398	3.581	40	30		DHEBRO
C[C@H]1C[N+](C)(C)[C@@H](C)C(=O)C1(c1ccccc1)c1ccccc1	ZINC000001594104	563286895	/nfs/dbraw/zinc/28/68/95/563286895.db2.gz	WXMZIABNDHGSRH-IRXDYDNUSA-N	1	0	308.445	3.656	40	30		DHEBRO
C=C(C)Cn1nc(C)c(C[N@H+](C)CCOc2ccccc2)c1C	ZINC000012188747	563838128	/nfs/dbraw/zinc/83/81/28/563838128.db2.gz	FMZHLNUEAPSBMR-UHFFFAOYSA-N	1	0	313.445	3.587	40	30		DHEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccc(C)n3)c2c1	ZINC000005579670	181260112	/nfs/dbraw/zinc/26/01/12/181260112.db2.gz	CWDRZKRXDUBWCO-YBFXNURJSA-N	1	0	306.369	3.701	40	30		DHEBRO
CC#CC1(OC[C@H](COCC(C)C)[NH+]2CCCC2)CCCCC1	ZINC000001537048	563284909	/nfs/dbraw/zinc/28/49/09/563284909.db2.gz	FITWYAUFKJXWPL-IBGZPJMESA-N	1	0	321.505	3.866	40	30	investigational	DHEBRO
O=[N+](Cc1c(Cl)cccc1Cl)CC1(O)CCCCC1	ZINC000001871511	563296910	/nfs/dbraw/zinc/29/69/10/563296910.db2.gz	PSLLPYSMNCHSMW-MFOYZWKCSA-N	1	0	302.201	3.618	40	30		DHEBRO
C[C@@H]1C[N+](C)(C)[C@@H](C)C(=O)C1(c1ccccc1)c1ccccc1	ZINC000001594105	180877268	/nfs/dbraw/zinc/87/72/68/180877268.db2.gz	WXMZIABNDHGSRH-SJORKVTESA-N	1	0	308.445	3.656	40	30		DHEBRO
O=C(C[n+]1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000004866227	181166005	/nfs/dbraw/zinc/16/60/05/181166005.db2.gz	YNAWKLFBHVNECH-UHFFFAOYSA-O	1	0	316.595	3.573	40	30		DHEBRO
CCc1ccc(C(=O)C[n+]2cn(C(F)F)c3ccccc32)cc1	ZINC000006388047	181336772	/nfs/dbraw/zinc/33/67/72/181336772.db2.gz	BWMOROGBFBXQIX-UHFFFAOYSA-N	1	0	315.343	3.769	40	30		DHEBRO
C[S@@](=O)CC[NH+]=Cc1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000017141492	182077068	/nfs/dbraw/zinc/07/70/68/182077068.db2.gz	HATHUWRDKYOKIC-PILORYNKSA-N	1	0	315.398	3.605	40	30		DHEBRO
CCCCCCCCCCCC[NH+](C[C@@H](C)O)C[C@@H](C)O	ZINC000100049166	256560115	/nfs/dbraw/zinc/56/01/15/256560115.db2.gz	BZJZJFAPSOEUFE-QZTJIDSGSA-N	1	0	301.515	3.971	40	30		DHEBRO
C=CC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F	ZINC000008495645	518955247	/nfs/dbraw/zinc/95/52/47/518955247.db2.gz	FNTPNIQZPCOABT-UHFFFAOYSA-N	1	0	301.361	3.689	40	30		DHEBRO
Cc1ccc(C(=O)C[n+]2cccc3ccc4cccnc4c32)cc1	ZINC000025781595	526051681	/nfs/dbraw/zinc/05/16/81/526051681.db2.gz	LRFGRRXPCLWCJH-UHFFFAOYSA-N	1	0	313.380	3.867	40	30		DHEBRO
C[N@@H+]1CCc2nc(Cl)c(C#N)c(-c3ccc(Cl)cc3)c2C1	ZINC000096511128	563486402	/nfs/dbraw/zinc/48/64/02/563486402.db2.gz	DCPHBRINCXXFPA-UHFFFAOYSA-N	1	0	318.207	3.915	40	30		DHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccccc2)cc1OCC	ZINC000008254479	563834381	/nfs/dbraw/zinc/83/43/81/563834381.db2.gz	NJCBKGSHDMBBEZ-UHFFFAOYSA-N	1	0	311.425	3.982	40	30		DHEBRO
Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C3)nc2c1	ZINC000035446546	563867359	/nfs/dbraw/zinc/86/73/59/563867359.db2.gz	BGFNTXOTIAYXPU-KRWDZBQOSA-N	1	0	316.408	3.733	40	30	biogenic,in-vitro	DHEBRO
CCCCC[C@@H](C[NH+](C)C)C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000001559688	1024529429	/nfs/dbraw/zinc/52/94/29/1024529429.db2.gz	BSCCMANYMDMSMD-DZZUKKPASA-N	1	0	317.429	3.756	40	30		DHEBRO
C[NH+](C)CCOc1ccc(/C=C2\CCc3ccccc3C2=O)cc1	ZINC000001611916	180878232	/nfs/dbraw/zinc/87/82/32/180878232.db2.gz	WQBXSVDTCGRUGQ-OBGWFSINSA-N	1	0	321.420	3.840	40	30		DHEBRO
COC(=O)[C@@H](c1ccccc1Cl)[n+]1ccc2sccc2c1	ZINC000065739343	184377851	/nfs/dbraw/zinc/37/78/51/184377851.db2.gz	UJUIDZGZGSWPJB-OAHLLOKOSA-N	1	0	318.805	3.605	40	30	in-vitro	DHEBRO
N#Cc1ccccc1CO/[NH+]=C/c1ccc(N2CCCC2)cc1	ZINC000408597177	257229129	/nfs/dbraw/zinc/22/91/29/257229129.db2.gz	YBUJYSXRORBFSA-KGENOOAVSA-N	1	0	305.381	3.709	40	30		DHEBRO
CCCCC[C@H](C[NH+](C)C)C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000017062422	520311793	/nfs/dbraw/zinc/31/17/93/520311793.db2.gz	BSCCMANYMDMSMD-SIJIIQCFSA-N	1	0	317.429	3.756	40	30		DHEBRO
NN=C1[C@@H]2CCC[C@H]1[C@@H](c1ccccc1)[NH2+][C@H]2c1ccccc1	ZINC000096436038	563619424	/nfs/dbraw/zinc/61/94/24/563619424.db2.gz	KUTYHXVWIWCHLG-SEXKYXSUSA-N	1	0	305.425	3.803	40	30		DHEBRO
COc1ccc([C@@H]2C3=C(CCCC3=O)[NH2+]N2c2ccccc2)cc1	ZINC000008558967	563643585	/nfs/dbraw/zinc/64/35/85/563643585.db2.gz	HWDGTEYGDWHCTH-HXUWFJFHSA-N	1	0	320.392	3.768	40	30		DHEBRO
Cc1ccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@H]4[NH+]=C3C2)cc1	ZINC000059349307	563771644	/nfs/dbraw/zinc/77/16/44/563771644.db2.gz	CSMWHVVZRQKPJK-RYQLBKOJSA-N	1	0	308.425	3.681	40	30		DHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1cccs1)[C@H]2CC	ZINC000096052453	563822336	/nfs/dbraw/zinc/82/23/36/563822336.db2.gz	FEHMNUDFDOXYCZ-WMZOPIPTSA-N	1	0	318.486	3.670	40	30		DHEBRO
CC[Si](CC)(CC)c1ccc(CC[NH2+]CCS)s1	ZINC000195786309	563924716	/nfs/dbraw/zinc/92/47/16/563924716.db2.gz	DSTDWQJSVINCPG-UHFFFAOYSA-N	1	0	301.597	3.526	40	30		DHEBRO
C[NH+](C)C[C@H]1CCCC/C1=N\OC(=O)c1ccc(Cl)cc1	ZINC000017194598	182079184	/nfs/dbraw/zinc/07/91/84/182079184.db2.gz	GLDOBCCYPMXHTM-MIKWNVPKSA-N	1	0	308.809	3.605	40	30		DHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1	ZINC000008472249	518952746	/nfs/dbraw/zinc/95/27/46/518952746.db2.gz	RYMJLOBIEPHZBK-UHFFFAOYSA-N	1	0	301.361	3.689	40	30		DHEBRO
C=CC[C@@]1([NH2+]Cc2ccccc2)CCN(C(=O)OC(C)(C)C)C1	ZINC000261507063	203073474	/nfs/dbraw/zinc/07/34/74/203073474.db2.gz	DWUHKFZKCBRMNP-LJQANCHMSA-N	1	0	316.445	3.732	40	30		DHEBRO
C#CC1(OC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)CCCCC1	ZINC000012419863	181760141	/nfs/dbraw/zinc/76/01/41/181760141.db2.gz	ZDVTUYCBMIYESX-QGZVFWFLSA-N	1	0	321.505	3.743	40	30		DHEBRO
C[S@@](=O)CC[NH+]=Cc1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000018126091	182093789	/nfs/dbraw/zinc/09/37/89/182093789.db2.gz	HATHUWRDKYOKIC-ZJLGBJARSA-N	1	0	315.398	3.605	40	30		DHEBRO
CCN(CC)CC[N@H+](C)CC(C)(C)C(=O)/C=C/c1ccccc1	ZINC000019365149	520641632	/nfs/dbraw/zinc/64/16/32/520641632.db2.gz	GTOPBSPPQBJUJM-BUHFOSPRSA-N	1	0	316.489	3.569	40	30		DHEBRO
C[NH+](C)CCCC1(C#N)c2ccccc2CCc2ccccc21	ZINC000001678257	563290540	/nfs/dbraw/zinc/29/05/40/563290540.db2.gz	SRZCPZGCRDDINU-UHFFFAOYSA-N	1	0	304.437	3.937	40	30		DHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(CC)cc1)C2	ZINC000096214703	563823082	/nfs/dbraw/zinc/82/30/82/563823082.db2.gz	XJFQWHXRYLQZDQ-FQEVSTJZSA-N	1	0	312.457	3.506	40	30		DHEBRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1	ZINC000006007602	181305530	/nfs/dbraw/zinc/30/55/30/181305530.db2.gz	VKODBKWLFALXDT-QFBILLFUSA-N	1	0	311.425	3.506	40	30		DHEBRO
C[N+]1(C)C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000008655399	181571116	/nfs/dbraw/zinc/57/11/16/181571116.db2.gz	WJIXWNOGLJLESO-AXPXABNXSA-N	1	0	304.413	3.813	40	30		DHEBRO
COC(=O)[C@H](c1ccccc1Cl)[n+]1ccc2sccc2c1	ZINC000065739347	184378106	/nfs/dbraw/zinc/37/81/06/184378106.db2.gz	UJUIDZGZGSWPJB-HNNXBMFYSA-N	1	0	318.805	3.605	40	30	in-vitro	DHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccc(F)cc2)c(OC)c1	ZINC000008471570	518953752	/nfs/dbraw/zinc/95/37/52/518953752.db2.gz	MYSWITYUHKRBGE-UHFFFAOYSA-N	1	0	301.361	3.689	40	30		DHEBRO
C=CCc1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1	ZINC000006007598	519147010	/nfs/dbraw/zinc/14/70/10/519147010.db2.gz	VKODBKWLFALXDT-LPHOPBHVSA-N	1	0	311.425	3.506	40	30		DHEBRO
CCCCCCCCCCCCCC[NH+](CCO)CCO	ZINC000100071127	563545812	/nfs/dbraw/zinc/54/58/12/563545812.db2.gz	CPHJEACXPATRSU-UHFFFAOYSA-N	1	0	301.515	3.974	40	30		DHEBRO
N#Cc1cccc(C[N@H+]2CC[C@H](c3nc4cc(F)ccc4[nH]3)C2)c1	ZINC000035446593	563867372	/nfs/dbraw/zinc/86/73/72/563867372.db2.gz	TTYBJCJQELWRJO-HNNXBMFYSA-N	1	0	320.371	3.563	40	30	biogenic,in-vitro	DHEBRO
CC(=O)C[n+]1ccccc1C(c1ccccc1)c1ccccc1	ZINC000005707467	181275384	/nfs/dbraw/zinc/27/53/84/181275384.db2.gz	WFAYXELERQTCGB-UHFFFAOYSA-N	1	0	302.397	3.743	40	30		DHEBRO
C=CC[C@]1([NH2+]Cc2ccccc2)CCN(C(=O)OC(C)(C)C)C1	ZINC000261507062	203074258	/nfs/dbraw/zinc/07/42/58/203074258.db2.gz	DWUHKFZKCBRMNP-IBGZPJMESA-N	1	0	316.445	3.732	40	30		DHEBRO
C[NH+](C)CCC[C@@]1(c2ccccc2)OCc2cc(C#N)ccc21	ZINC000022056122	182306783	/nfs/dbraw/zinc/30/67/83/182306783.db2.gz	DCABXDIJRCWHAL-FQEVSTJZSA-N	1	0	306.409	3.674	40	30	in-vitro	DHEBRO
CN(C)c1ccc(/C=C/C=[NH+]/OCc2ccccc2C#N)cc1	ZINC000408594035	257229057	/nfs/dbraw/zinc/22/90/57/257229057.db2.gz	DOJOGGSORGGQNF-BXQACYKASA-N	1	0	305.381	3.840	40	30		DHEBRO
C=CC[NH+]1C(C)(C)CC(NC(=O)c2ccccc2)CC1(C)C	ZINC000147027489	563923475	/nfs/dbraw/zinc/92/34/75/563923475.db2.gz	XTJNWRLCACDSHZ-UHFFFAOYSA-N	1	0	300.446	3.624	40	30		DHEBRO
N#Cc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)c1	ZINC000049168856	560084813	/nfs/dbraw/zinc/08/48/13/560084813.db2.gz	AKLOQEFNNYMAQO-INIZCTEOSA-N	1	0	303.365	3.689	40	30	biogenic,in-vitro	DHEBRO
C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)C[C@H](C)[N+]1(C)C	ZINC000001593260	563287028	/nfs/dbraw/zinc/28/70/28/563287028.db2.gz	NTSJWSNUOHAEMT-DLBZAZTESA-N	1	0	308.445	3.799	40	30		DHEBRO
C[C@H](C(=O)N1c2ccccc2Sc2ccccc21)[N+](C)(C)C	ZINC000001671692	563290325	/nfs/dbraw/zinc/29/03/25/563290325.db2.gz	YARAVERAGXHBDQ-CYBMUJFWSA-N	1	0	313.446	3.911	40	30		DHEBRO
CC[NH+]1CCN([C@H]2CCCCCCCCCC/C2=N/O)CC1	ZINC000100964971	563554803	/nfs/dbraw/zinc/55/48/03/563554803.db2.gz	NDTWRQWQZMSBHV-VZCCSQPZSA-N	1	0	309.498	3.737	40	30		DHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2	ZINC000096214729	563822973	/nfs/dbraw/zinc/82/29/73/563822973.db2.gz	XRLVNODSLKZKAY-GOSISDBHSA-N	1	0	318.848	3.597	40	30		DHEBRO
Cc1ccc(-c2ccc(C)c[n+]2CC(=O)c2ccccc2)nc1	ZINC000008701062	563927558	/nfs/dbraw/zinc/92/75/58/563927558.db2.gz	IHISLPKJTJBWRC-UHFFFAOYSA-N	1	0	303.385	3.536	40	30		DHEBRO
C[N+]1(C)C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1	ZINC000005809204	181285526	/nfs/dbraw/zinc/28/55/26/181285526.db2.gz	WJIXWNOGLJLESO-IWGRKNQJSA-N	1	0	304.413	3.813	40	30		DHEBRO
C=CCN1CC[NH+]([C@@H](Cc2ccccc2)c2ccccc2)CC1	ZINC000019372382	182120820	/nfs/dbraw/zinc/12/08/20/182120820.db2.gz	HKKHRTQSMSJCDX-NRFANRHFSA-N	1	0	306.453	3.774	40	30		DHEBRO
C[C@@H]1C(=O)C(c2ccccc2)(c2ccccc2)[C@H](C)C[N+]1(C)C	ZINC000001594107	563287089	/nfs/dbraw/zinc/28/70/89/563287089.db2.gz	WXMZIABNDHGSRH-IAGOWNOFSA-N	1	0	308.445	3.656	40	30		DHEBRO
Cc1cccc([C@@H]2CC(=O)C3=CN[C@H]4CCCC[C@H]4[NH+]=C3C2)c1	ZINC000059349328	563771525	/nfs/dbraw/zinc/77/15/25/563771525.db2.gz	RMNMSSDXBADCPS-RYQLBKOJSA-N	1	0	308.425	3.681	40	30		DHEBRO
CN1C(=S)C(C)(C)[C@@H]([NH+]2CCCCC2)/C1=N\C1CCCCC1	ZINC000255188053	563786267	/nfs/dbraw/zinc/78/62/67/563786267.db2.gz	ILXWVNZZIBAUQK-NXSRCCIVSA-N	1	0	321.534	3.871	40	30		DHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(C)c(C)c1)C2	ZINC000096214708	563823135	/nfs/dbraw/zinc/82/31/35/563823135.db2.gz	OIWJBKWUQAACGH-HXUWFJFHSA-N	1	0	312.457	3.560	40	30		DHEBRO
C=CC[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C	ZINC000196326408	563914190	/nfs/dbraw/zinc/91/41/90/563914190.db2.gz	ZPBGCZYZPUNGOB-KRWDZBQOSA-N	1	0	316.445	3.684	40	30		DHEBRO
N=C(Nc1cccc(Cl)c1)C(=N)Nc1cccc(Cl)c1	ZINC000255189624	568417093	/nfs/dbraw/zinc/41/70/93/568417093.db2.gz	RDTDAGFHOBCQEA-UHFFFAOYSA-N	1	0	307.184	3.671	40	30		DHEBRO
C[N+]1(C)C/C(=C\c2ccccc2)C(=O)/C(=C\c2ccccc2)C1	ZINC000017176629	182078362	/nfs/dbraw/zinc/07/83/62/182078362.db2.gz	WJIXWNOGLJLESO-LRVMPXQBSA-N	1	0	304.413	3.813	40	30		DHEBRO
CCCCC[C@@H](C[NH+](C)C)/C(C[C@H](NO)c1ccccc1)=N/O	ZINC000104194326	257232579	/nfs/dbraw/zinc/23/25/79/257232579.db2.gz	DZQCGSSZWBHDQZ-QEGOHHEBSA-N	1	0	321.465	3.685	40	30		DHEBRO
C=CC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1	ZINC000008471813	518952705	/nfs/dbraw/zinc/95/27/05/518952705.db2.gz	DQMXMOUENJXBDX-UHFFFAOYSA-N	1	0	318.804	3.598	40	30		DHEBRO
CCOC(=O)C1=C(c2ccccc2)Nc2ccccc2[S@@+]1C	ZINC000008652529	563348437	/nfs/dbraw/zinc/34/84/37/563348437.db2.gz	NRFDQEKSMPYCEA-JOCHJYFZSA-O	1	0	312.414	3.651	40	30		DHEBRO
CC[NH+]1CCN([C@@H]2CCCCCCCCCC/C2=N/O)CC1	ZINC000100964968	563554822	/nfs/dbraw/zinc/55/48/22/563554822.db2.gz	NDTWRQWQZMSBHV-LYHOESIGSA-N	1	0	309.498	3.737	40	30		DHEBRO
C=CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccc(C)s1)C2	ZINC000096050006	563822356	/nfs/dbraw/zinc/82/23/56/563822356.db2.gz	CTCPGFUMYYGCHC-SFHVURJKSA-N	1	0	318.486	3.590	40	30		DHEBRO
C=CC[N@H+]1CCC[C@@]12CCCN(C(=O)Nc1ccc(C)cc1)C2	ZINC000096214779	563822762	/nfs/dbraw/zinc/82/27/62/563822762.db2.gz	CRACISFAXIWSDN-LJQANCHMSA-N	1	0	313.445	3.643	40	30		DHEBRO
CC#CC1(OC[C@@H](COCC(C)C)[NH+]2CCCC2)CCCCC1	ZINC000001999492	563841933	/nfs/dbraw/zinc/84/19/33/563841933.db2.gz	FITWYAUFKJXWPL-LJQANCHMSA-N	1	0	321.505	3.866	40	30	investigational	DHEBRO
C=CC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C	ZINC000196326416	563914227	/nfs/dbraw/zinc/91/42/27/563914227.db2.gz	ZPBGCZYZPUNGOB-QGZVFWFLSA-N	1	0	316.445	3.684	40	30		DHEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3cccc(C)n3)c2c1	ZINC000005390051	181237788	/nfs/dbraw/zinc/23/77/88/181237788.db2.gz	CWDRZKRXDUBWCO-ODLFYWEKSA-N	1	0	306.369	3.701	40	30		DHEBRO
C[N+](C)(C/C=C/c1ccccc1)CC(=O)OCc1ccccc1	ZINC000005007431	256518104	/nfs/dbraw/zinc/51/81/04/256518104.db2.gz	CNCICMMHPRCQAS-NTEUORMPSA-N	1	0	310.417	3.520	40	30		DHEBRO
COc1ccc(C(=O)C[n+]2cccc3cc(Cl)ccc32)cc1	ZINC000001667437	563290041	/nfs/dbraw/zinc/29/00/41/563290041.db2.gz	KDGMTQNQVXLQKD-UHFFFAOYSA-N	1	0	312.776	3.672	40	30		DHEBRO
C[N@@H+]1CCc2nc(Cl)c(C#N)c(-c3cccc(Cl)c3)c2C1	ZINC000096511134	563486392	/nfs/dbraw/zinc/48/63/92/563486392.db2.gz	NWNWHHRCIVPTLX-UHFFFAOYSA-N	1	0	318.207	3.915	40	30		DHEBRO
CCCCCCCc1ccc(C(=O)NCCC[NH+](C)C)cc1	ZINC000100965862	563555295	/nfs/dbraw/zinc/55/52/95/563555295.db2.gz	WAEHYYDBRLBLHL-UHFFFAOYSA-N	1	0	304.478	3.881	40	30		DHEBRO
CC[NH+]1CCN(c2ccc(/N=C/c3ccc(C)cc3O)cc2)CC1	ZINC000000345421	563607633	/nfs/dbraw/zinc/60/76/33/563607633.db2.gz	AWWKVZVLHMGYLL-RCCKNPSSSA-N	1	0	323.440	3.593	40	30		DHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2	ZINC000096214730	563822820	/nfs/dbraw/zinc/82/28/20/563822820.db2.gz	XRLVNODSLKZKAY-SFHVURJKSA-N	1	0	318.848	3.597	40	30		DHEBRO
C=CCC1(CC=C)CC[N@H+]1Cc1c[nH]nc1-c1ccc(O)cc1	ZINC000012147174	563838189	/nfs/dbraw/zinc/83/81/89/563838189.db2.gz	DYVNHSDQZQFZDZ-UHFFFAOYSA-N	1	0	309.413	3.879	40	30		DHEBRO
Cc1ccc2oc([C@H]3CC[N@H+](Cc4ccc(C#N)cc4)C3)nc2c1	ZINC000035446474	563867344	/nfs/dbraw/zinc/86/73/44/563867344.db2.gz	MBOIRCMPBBZEBM-KRWDZBQOSA-N	1	0	317.392	3.997	40	30	biogenic,in-vitro	DHEBRO
C[NH+](C)CC#C[C@@]1(C)CC[C@H]2[C@H](O1)c1ccccc1OC2(C)C	ZINC000004027786	181064733	/nfs/dbraw/zinc/06/47/33/181064733.db2.gz	ABLWHYNYPHIZFJ-HQRMLTQVSA-N	1	0	313.441	3.649	40	30		DHEBRO
COc1ccc2[nH+]c(C)cc(NN=Cc3ccc(F)cc3)c2c1	ZINC000005007000	181189892	/nfs/dbraw/zinc/18/98/92/181189892.db2.gz	FCIINDKJSDJDMO-RGVLZGJSSA-N	1	0	309.344	3.559	40	30		DHEBRO
N#Cc1ccc2c(c1)CO[C@]2(CCC[NH3+])c1ccc(Cl)cc1	ZINC000022057124	182307031	/nfs/dbraw/zinc/30/70/31/182307031.db2.gz	VWLLOQFYAPCTPG-GOSISDBHSA-N	1	0	312.800	3.724	40	30	in-vitro	DHEBRO
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH2+][C@@H](C)CC)[C@H]3C[C@H]12	ZINC000012660001	333108448	/nfs/dbraw/zinc/10/84/48/333108448.db2.gz	HAMJOCRXXCFPGB-MBBONTPASA-N	1	0	305.462	3.689	40	30		DHEBRO
CCN(CC)CC[N@H+](C)CC(C)(C)C(=O)/C=C\c1ccccc1	ZINC000023478112	520642351	/nfs/dbraw/zinc/64/23/51/520642351.db2.gz	GTOPBSPPQBJUJM-YPKPFQOOSA-N	1	0	316.489	3.569	40	30		DHEBRO
C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@H](C)[N+]1(C)C	ZINC000001593262	563287039	/nfs/dbraw/zinc/28/70/39/563287039.db2.gz	NTSJWSNUOHAEMT-IRXDYDNUSA-N	1	0	308.445	3.799	40	30		DHEBRO
C[C@@H](C(=O)N1c2ccccc2Sc2ccccc21)[N+](C)(C)C	ZINC000002040885	563298407	/nfs/dbraw/zinc/29/84/07/563298407.db2.gz	YARAVERAGXHBDQ-ZDUSSCGKSA-N	1	0	313.446	3.911	40	30		DHEBRO
C[NH+]1CCC(N=Nc2nc(-c3ccc(Cl)cc3)cs2)CC1	ZINC000005675009	181270832	/nfs/dbraw/zinc/27/08/32/181270832.db2.gz	RHEXDHKHYUAQKK-UHFFFAOYSA-N	1	0	320.849	3.957	40	30		DHEBRO
Cc1cccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@@H]4[NH+]=C3C2)c1	ZINC000017031795	182070254	/nfs/dbraw/zinc/07/02/54/182070254.db2.gz	RMNMSSDXBADCPS-JQHSSLGASA-N	1	0	308.425	3.681	40	30		DHEBRO
[NH2+]=C(CCSc1ccccc1N=Cc1ccccc1O)NO	ZINC000017062601	182074132	/nfs/dbraw/zinc/07/41/32/182074132.db2.gz	MDUOKGCDELWVJW-WQRHYEAKSA-N	1	0	315.398	3.581	40	30		DHEBRO
C=CC[N+](CC)(CC)CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C	ZINC000004973975	519120195	/nfs/dbraw/zinc/12/01/95/519120195.db2.gz	ZZHQYSPDIUUJFF-MDZRGWNJSA-N	1	0	308.486	3.787	40	30		DHEBRO
C[C@H]1C[N+](C)(C)[C@H](C)C(=O)C1(c1ccccc1)c1ccccc1	ZINC000001594106	563286728	/nfs/dbraw/zinc/28/67/28/563286728.db2.gz	WXMZIABNDHGSRH-DLBZAZTESA-N	1	0	308.445	3.656	40	30		DHEBRO
C[S@@](=O)CC[NH+]=Cc1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000104235978	563563296	/nfs/dbraw/zinc/56/32/96/563563296.db2.gz	HATHUWRDKYOKIC-MAHBYDGWSA-N	1	0	315.398	3.605	40	30		DHEBRO
C=CC[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(C)c(C)c1)C2	ZINC000096214706	563822914	/nfs/dbraw/zinc/82/29/14/563822914.db2.gz	OIWJBKWUQAACGH-FQEVSTJZSA-N	1	0	312.457	3.560	40	30		DHEBRO
CC(C)NC(=[NH2+])NC(=[NH2+])Nc1ccc2ccc3ccccc3c2c1	ZINC000005834535	181287461	/nfs/dbraw/zinc/28/74/61/181287461.db2.gz	OGIAQXVORFWVSI-UHFFFAOYSA-N	1	0	319.412	3.652	40	30		DHEBRO
C[S@@](=O)CC[NH+]=Cc1ccc(NN=C2C=CC(=O)C=C2)cc1	ZINC000104235975	256578851	/nfs/dbraw/zinc/57/88/51/256578851.db2.gz	HATHUWRDKYOKIC-URFBFGSKSA-N	1	0	315.398	3.605	40	30		DHEBRO
CN(C)c1oc(C=[NH+][N-]c2ccccc2)cc1Br	ZINC000408858623	257226039	/nfs/dbraw/zinc/22/60/39/257226039.db2.gz	ZOKNNJDSVHXSDY-OQLLNIDSSA-N	1	0	308.179	3.554	40	30		DHEBRO
C=CCOc1c(Cl)cc(C[NH2+]Cc2ccncc2)cc1OC	ZINC000007274904	257264984	/nfs/dbraw/zinc/26/49/84/257264984.db2.gz	TWNWONQUOZJHSV-UHFFFAOYSA-N	1	0	318.804	3.598	40	30		DHEBRO
C=C[C@H]1C[NH2+]CC[C@@H]1CCC(=O)c1ccnc2ccc(OC)cc21	ZINC000004626710	519301831	/nfs/dbraw/zinc/30/18/31/519301831.db2.gz	DKRSEIPLAZTSFD-GJZGRUSLSA-N	1	0	324.424	3.618	40	30	in-man	DHEBRO
C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)[C@@H](C)[N+]1(C)C	ZINC000001593261	563286991	/nfs/dbraw/zinc/28/69/91/563286991.db2.gz	NTSJWSNUOHAEMT-IAGOWNOFSA-N	1	0	308.445	3.799	40	30		DHEBRO
C[NH+](C)C[C@H]1CCCC/C1=N/OC(=O)c1ccc(Cl)cc1	ZINC000102957467	563560221	/nfs/dbraw/zinc/56/02/21/563560221.db2.gz	GLDOBCCYPMXHTM-ZLMULJHYSA-N	1	0	308.809	3.605	40	30		DHEBRO
CCCCC[C@H](C[NH+](C)C)/C(C[C@H](NO)c1ccccc1)=N/O	ZINC000104194331	257232447	/nfs/dbraw/zinc/23/24/47/257232447.db2.gz	DZQCGSSZWBHDQZ-FYPAYUBKSA-N	1	0	321.465	3.685	40	30		DHEBRO
CC/[NH+]=C(\CC(=O)C12CC3CC(CC(C3)C1)C2)N(CC)CC	ZINC000104200949	257232615	/nfs/dbraw/zinc/23/26/15/257232615.db2.gz	STSASRLOIHAXCI-CZIZESTLSA-N	1	0	304.478	3.922	40	30		DHEBRO
COc1ccc(/C=C/C(=O)C(C)(C)C[NH+]2CCCCC2)cc1	ZINC000001626394	563288725	/nfs/dbraw/zinc/28/87/25/563288725.db2.gz	SFFMRQHAZPGMIY-FMIVXFBMSA-N	1	0	301.430	3.790	40	30		DHEBRO
C=CCc1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1	ZINC000006007945	181305614	/nfs/dbraw/zinc/30/56/14/181305614.db2.gz	VKODBKWLFALXDT-VQIMIIECSA-N	1	0	311.425	3.506	40	30		DHEBRO
c1ccc2c(c1)CCc1ccccc1C2NC1=[NH+]CCSC1	ZINC000001571340	563285751	/nfs/dbraw/zinc/28/57/51/563285751.db2.gz	UCONOBNDQZGORF-UHFFFAOYSA-N	1	0	308.450	3.610	40	30		DHEBRO
COc1ccc(/C=C\C(=O)C(C)(C)C[NH+]2CCCCC2)cc1	ZINC000005809103	181285934	/nfs/dbraw/zinc/28/59/34/181285934.db2.gz	SFFMRQHAZPGMIY-XFXZXTDPSA-N	1	0	301.430	3.790	40	30		DHEBRO
C=C[C@@H]1C[NH2+]CC[C@@H]1CCC(=O)c1ccnc2ccc(OC)cc21	ZINC000001583681	563841092	/nfs/dbraw/zinc/84/10/92/563841092.db2.gz	DKRSEIPLAZTSFD-CABCVRRESA-N	1	0	324.424	3.618	40	30	biogenic,in-man	DHEBRO
C[NH+](C)CCOc1ccc(/C=C2/CCc3ccccc3C2=O)cc1	ZINC000016952572	182065699	/nfs/dbraw/zinc/06/56/99/182065699.db2.gz	WQBXSVDTCGRUGQ-SDXDJHTJSA-N	1	0	321.420	3.840	40	30		DHEBRO
NN=C1[C@@H]2CCC[C@H]1[C@H](c1ccccc1)[NH2+][C@H]2c1ccccc1	ZINC000096436039	563619776	/nfs/dbraw/zinc/61/97/76/563619776.db2.gz	KUTYHXVWIWCHLG-RDGPPVDQSA-N	1	0	305.425	3.803	40	30		DHEBRO
C=CC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1	ZINC000008253817	563834265	/nfs/dbraw/zinc/83/42/65/563834265.db2.gz	MRIVDBUJSLQWPL-UHFFFAOYSA-N	1	0	314.223	3.522	40	30		DHEBRO
CCCCC[C@H](C[NH+](C)C)/C(C[C@H](NO)c1ccccc1)=N\O	ZINC000005385196	181236981	/nfs/dbraw/zinc/23/69/81/181236981.db2.gz	DZQCGSSZWBHDQZ-HNQLTLBLSA-N	1	0	321.465	3.685	40	30		DHEBRO
C=CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OC	ZINC000008471132	181557985	/nfs/dbraw/zinc/55/79/85/181557985.db2.gz	JZUPMMICEIHNJN-UHFFFAOYSA-N	1	0	315.388	3.731	40	30		DHEBRO
Cc1ccc([C@@H]2CC(=O)C3=CN[C@@H]4CCCC[C@@H]4[NH+]=C3C2)cc1	ZINC000227102993	1036039052	/nfs/dbraw/zinc/03/90/52/1036039052.db2.gz	CSMWHVVZRQKPJK-JQHSSLGASA-N	1	0	308.425	3.681	40	30		DHEBRO
N#Cc1ccc2c(c1)CO[C@@]2(CCC[NH3+])c1ccc(Cl)cc1	ZINC000022057119	182306881	/nfs/dbraw/zinc/30/68/81/182306881.db2.gz	VWLLOQFYAPCTPG-SFHVURJKSA-N	1	0	312.800	3.724	40	30	in-vitro	DHEBRO
COc1ccc2c(c1)CCCN2C(=[NH2+])Nc1ccc(Cl)cc1	ZINC000013154308	134511839	/nfs/dbraw/zinc/51/18/39/134511839.db2.gz	JQAULLDUOAQOAD-UHFFFAOYSA-N	1	0	315.804	3.748	40	30		DHEBRO
COc1ccc([C@H]2C3=C(CCCC3=O)[NH2+]N2c2ccccc2)cc1	ZINC000008558971	563643444	/nfs/dbraw/zinc/64/34/44/563643444.db2.gz	HWDGTEYGDWHCTH-FQEVSTJZSA-N	1	0	320.392	3.768	40	30		DHEBRO
C=CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccc(C)o1)[C@H]2CC	ZINC000096052455	563822118	/nfs/dbraw/zinc/82/21/18/563822118.db2.gz	BTUJPDBTTIFKRH-HKUYNNGSSA-N	1	0	316.445	3.510	40	30		DHEBRO