smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]2)n1	ZINC000256054257	1019706874	/nfs/dbraw/zinc/70/68/74/1019706874.db2.gz	VPYMCSCAYLSONQ-CYBMUJFWSA-N	1	0	321.808	3.993	40	0		DHABRO
COc1ccc(F)c(C[N@@H+](Cc2sccc2C)C[C@H](C)O)c1	ZINC000013991670	1022011678	/nfs/dbraw/zinc/01/16/78/1022011678.db2.gz	IXOMUNIHWCAFFA-ZDUSSCGKSA-N	1	0	323.433	3.587	40	0		DHABRO
CC[C@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CC[N@@H+](C2)[C@@H]31	ZINC000002029101	1024552070	/nfs/dbraw/zinc/55/20/70/1024552070.db2.gz	GZIPIZQXYGKJCX-UQFOYQTNSA-N	1	0	324.468	3.947	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1	ZINC000255188128	1030980261	/nfs/dbraw/zinc/98/02/61/1030980261.db2.gz	IRDRDVLZZPOHHG-WKILWMFISA-N	1	0	310.482	3.992	40	0		DHABRO
CC(C)[C@H]([NH3+])C(=O)N(Cc1cccc(Cl)c1Cl)C(C)C	ZINC000079421039	185170658	/nfs/dbraw/zinc/17/06/58/185170658.db2.gz	GSOVXDQQHZCTFD-AWEZNQCLSA-N	1	0	317.260	3.714	40	0		DHABRO
CC[NH2+][C@H]1C[C@@H](Cc2cc(COc3ccccc3)on2)C1(C)C	ZINC000067889985	190731007	/nfs/dbraw/zinc/73/10/07/190731007.db2.gz	QXOTWXGMKOXATJ-KDOFPFPSSA-N	1	0	314.429	3.820	40	0	biogenic,in-vitro	DHABRO
C[N@@H+]1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1	ZINC000072358371	191130560	/nfs/dbraw/zinc/13/05/60/191130560.db2.gz	AIOIUVPPLNEVHV-CYBMUJFWSA-N	1	0	321.346	3.972	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccccn4)o3)C2)cc1	ZINC000072390020	191147617	/nfs/dbraw/zinc/14/76/17/191147617.db2.gz	MJZWAHGUYMPAIA-MRXNPFEDSA-N	1	0	320.396	3.511	40	0		DHABRO
Fc1ccccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H](c2cc[nH]n2)C1	ZINC000072395172	191149204	/nfs/dbraw/zinc/14/92/04/191149204.db2.gz	FHDIBVUVCMAZNG-ZWKOTPCHSA-N	1	0	321.399	3.932	40	0		DHABRO
Cc1cc(C)c2cc(CNc3ccc(N(C)C)cc3)c(=O)[nH]c2c1	ZINC000072396075	191150083	/nfs/dbraw/zinc/15/00/83/191150083.db2.gz	SBQKVJGXQDXCAN-UHFFFAOYSA-N	1	0	321.424	3.823	40	0		DHABRO
CC[NH+](CC)CCCCCNc1cc(O)cc2cccnc21	ZINC000001687521	180888520	/nfs/dbraw/zinc/88/85/20/180888520.db2.gz	QCFWRPRHNQZRFT-UHFFFAOYSA-N	1	0	301.434	3.864	40	0		DHABRO
CCC[C@@H](C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1	ZINC000001716534	180890877	/nfs/dbraw/zinc/89/08/77/180890877.db2.gz	RBYCFFUXGBVXCR-KRWDZBQOSA-N	1	0	304.434	3.517	40	0		DHABRO
[NH3+]CCSc1cc(C(F)(F)F)nc2ccc(Cl)cc21	ZINC000002525205	180932097	/nfs/dbraw/zinc/93/20/97/180932097.db2.gz	YYYGVVYHETUPIH-UHFFFAOYSA-N	1	0	306.740	3.958	40	0		DHABRO
CCOC(=O)[C@@H]1C[NH2+][C@@H](c2ccccc2)C[C@@H]1c1ccccc1	ZINC000003845406	181048556	/nfs/dbraw/zinc/04/85/56/181048556.db2.gz	VRGSYPCBWQRFQZ-GUDVDZBRSA-N	1	0	309.409	3.684	40	0		DHABRO
COc1ccc(/C=C\[C@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000004934873	181174781	/nfs/dbraw/zinc/17/47/81/181174781.db2.gz	GDNSQQLLCBYQEJ-RZFAWWKGSA-N	1	0	315.457	3.581	40	0		DHABRO
C[NH+](C)CCOC1=Nc2ccccc2O/C1=C\c1ccccc1	ZINC000005492938	181249470	/nfs/dbraw/zinc/24/94/70/181249470.db2.gz	LGIFXGMQZXFXTI-JXAWBTAJSA-N	1	0	308.381	3.728	40	0		DHABRO
CC(C)[N@H+](C)CCOC(=O)[C@@H](c1ccccc1)C1CCCC1	ZINC000005962880	181301628	/nfs/dbraw/zinc/30/16/28/181301628.db2.gz	RGWSLNIQOSVCQW-SFHVURJKSA-N	1	0	303.446	3.844	40	0		DHABRO
CCCC[NH+](CCCC)C[C@@H](O)Cc1ccc(OCC)cc1	ZINC000005973428	181302732	/nfs/dbraw/zinc/30/27/32/181302732.db2.gz	BNXHRFRXIYQBSO-SFHVURJKSA-N	1	0	307.478	3.891	40	0		DHABRO
Cc1cc(OC[C@H](O)C[N@@H+](C)C2CCCCC2)ccc1Cl	ZINC000006008666	181305845	/nfs/dbraw/zinc/30/58/45/181305845.db2.gz	GGVNPHJWWXXEJG-OAHLLOKOSA-N	1	0	311.853	3.653	40	0		DHABRO
CC[C@@H](OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1	ZINC000006356107	181333978	/nfs/dbraw/zinc/33/39/78/181333978.db2.gz	FWILNCFMKJDLDO-UKBAYJJMSA-N	1	0	305.462	3.778	40	0		DHABRO
C[NH+](C)CC[C@@](O)(Cc1ccccc1)c1cccc(Cl)c1	ZINC000006437073	181341655	/nfs/dbraw/zinc/34/16/55/181341655.db2.gz	BZKMSZINPAIIIA-GOSISDBHSA-N	1	0	303.833	3.722	40	0		DHABRO
CC[NH+](CC)CCCNC(=O)Nc1cccc(C(F)(F)F)c1	ZINC000006462732	181342681	/nfs/dbraw/zinc/34/26/81/181342681.db2.gz	MEIZKEVJCZWVTL-UHFFFAOYSA-N	1	0	317.355	3.559	40	0		DHABRO
CC(=O)N1CCCCC[C@@H]2[N@H+](C)[C@H](c3ccccc3)C[C@@]21C	ZINC000257274277	203001542	/nfs/dbraw/zinc/00/15/42/203001542.db2.gz	NKHPCNWRNRFISU-FHWLQOOXSA-N	1	0	300.446	3.613	40	0		DHABRO
c1ncc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)s1	ZINC000257272819	203001557	/nfs/dbraw/zinc/00/15/57/203001557.db2.gz	NDZMJIFTPZZVGF-CQSZACIVSA-N	1	0	309.438	3.756	40	0		DHABRO
C[NH2+]CCCNCc1cc(Cl)ccc1OCc1ccccc1	ZINC000008377008	181551936	/nfs/dbraw/zinc/55/19/36/181551936.db2.gz	VENZVVXHHNXAJJ-UHFFFAOYSA-N	1	0	318.848	3.618	40	0		DHABRO
Fc1ccc(COc2ccccc2C[NH2+]C[C@H]2CCCO2)cc1	ZINC000016449638	182045273	/nfs/dbraw/zinc/04/52/73/182045273.db2.gz	CCVZNTNGGAYUMJ-GOSISDBHSA-N	1	0	315.388	3.673	40	0		DHABRO
O=C(CCc1ccncc1)Nc1ccccc1C[NH+]1CCCCC1	ZINC000019349082	182117487	/nfs/dbraw/zinc/11/74/87/182117487.db2.gz	HOONOXMXQFXUMS-UHFFFAOYSA-N	1	0	323.440	3.639	40	0		DHABRO
C[C@@H]1CCCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)C1	ZINC000020485994	182223110	/nfs/dbraw/zinc/22/31/10/182223110.db2.gz	CKEJEBVIPPRBQU-IAGOWNOFSA-N	1	0	314.473	3.791	40	0		DHABRO
CCOc1c(Cl)cc(Cl)cc1CNCC[NH+](CC)CC	ZINC000022074950	182307902	/nfs/dbraw/zinc/30/79/02/182307902.db2.gz	FOZGWUQNSKIKDM-UHFFFAOYSA-N	1	0	319.276	3.824	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)c(C)c1	ZINC000061247034	184166662	/nfs/dbraw/zinc/16/66/62/184166662.db2.gz	AHXDWOXBMLMNIT-UHFFFAOYSA-N	1	0	319.518	3.856	40	0		DHABRO
O=C(Cc1ccccc1)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224644418	256594857	/nfs/dbraw/zinc/59/48/57/256594857.db2.gz	VUUDVQKMCYVNBQ-UHFFFAOYSA-N	1	0	322.452	3.531	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C(=O)c1ccccc1	ZINC000072218777	257124022	/nfs/dbraw/zinc/12/40/22/257124022.db2.gz	YMCUMJBAVUWBML-GOSISDBHSA-N	1	0	323.440	3.823	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C	ZINC000072219425	257124631	/nfs/dbraw/zinc/12/46/31/257124631.db2.gz	XCMSHKSUDFNSKQ-SFHVURJKSA-N	1	0	317.477	3.554	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1CC	ZINC000072214790	257125876	/nfs/dbraw/zinc/12/58/76/257125876.db2.gz	LKDPMAMQXKACMM-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214515	257125907	/nfs/dbraw/zinc/12/59/07/257125907.db2.gz	ZDVKJQRKFCQYSR-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C	ZINC000072214783	257126082	/nfs/dbraw/zinc/12/60/82/257126082.db2.gz	LSHVDJPNNJFOJH-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[NH2+]2)cn1	ZINC000072214631	257126413	/nfs/dbraw/zinc/12/64/13/257126413.db2.gz	MAVXDAVVUBXLQX-CQSZACIVSA-N	1	0	305.422	3.658	40	0		DHABRO
CC[N@@H+]1CCCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214395	257126705	/nfs/dbraw/zinc/12/67/05/257126705.db2.gz	HAUNIPIPAFSPKJ-AWEZNQCLSA-N	1	0	305.422	3.976	40	0		DHABRO
C[NH2+][C@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072207674	257128003	/nfs/dbraw/zinc/12/80/03/257128003.db2.gz	LPJBZPQJQRTGFC-HZPDHXFCSA-N	1	0	304.434	3.737	40	0		DHABRO
CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000013646997	331545148	/nfs/dbraw/zinc/54/51/48/331545148.db2.gz	VRCOFZYQGHJCCI-UHFFFAOYSA-N	1	0	302.462	3.590	40	0		DHABRO
Cc1cccc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccncc4)C[C@H]32)c1	ZINC000248119720	341373549	/nfs/dbraw/zinc/37/35/49/341373549.db2.gz	WZKXWNXCIGMSRI-CEWLAPEOSA-N	1	0	322.452	3.510	40	0		DHABRO
CCOC(=O)CSc1ccc2ccccc2[n+]1-c1ccccc1	ZINC000001703114	563291913	/nfs/dbraw/zinc/29/19/13/563291913.db2.gz	KRBRETQFHGXQDM-UHFFFAOYSA-N	1	0	324.425	3.772	40	0		DHABRO
CC[C@H](CO)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1	ZINC000008337114	563346163	/nfs/dbraw/zinc/34/61/63/563346163.db2.gz	SRRTZUFJSDKPLK-MRXNPFEDSA-N	1	0	319.832	3.780	40	0		DHABRO
CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2ccc(OC)cc21	ZINC000008581069	563348109	/nfs/dbraw/zinc/34/81/09/563348109.db2.gz	HMNVCGOGXCDHBT-CQSZACIVSA-N	1	0	316.449	3.561	40	0		DHABRO
COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2cccnc2)c1	ZINC000012085288	563361903	/nfs/dbraw/zinc/36/19/03/563361903.db2.gz	XAGFKPXRNZMYRL-UWVAXJGDSA-N	1	0	324.424	3.522	40	0		DHABRO
c1ccc2c(c1)N[C@@H](c1cccc3cccnc31)N1CCC[NH+]=C21	ZINC000012144189	563363289	/nfs/dbraw/zinc/36/32/89/563363289.db2.gz	BVEKBIFVUXRGMC-HXUWFJFHSA-N	1	0	314.392	3.811	40	0		DHABRO
c1cncc(-c2nccc(C[N@@H+]3CCC[C@H]4CCCC[C@@H]43)n2)c1	ZINC000012670946	563372110	/nfs/dbraw/zinc/37/21/10/563372110.db2.gz	QOPIFIMHBKCQAS-QAPCUYQASA-N	1	0	308.429	3.693	40	0		DHABRO
Nc1nc(N)c2cc(Sc3ccc(Cl)cc3)ccc2n1	ZINC000013207519	563420828	/nfs/dbraw/zinc/42/08/28/563420828.db2.gz	OFGRXGJDGPQWBD-UHFFFAOYSA-N	1	0	302.790	3.599	40	0		DHABRO
CCOc1ccc([C@@H](O)C[N@H+](C)Cc2ccccc2)cc1Cl	ZINC000031911877	563441321	/nfs/dbraw/zinc/44/13/21/563441321.db2.gz	OMDIBWATEJSJEB-KRWDZBQOSA-N	1	0	319.832	3.904	40	0		DHABRO
COCC1(Nc2ccccc2)CC[NH+](Cc2ccccc2)CC1	ZINC000033852231	563446022	/nfs/dbraw/zinc/44/60/22/563446022.db2.gz	QBUUEBUUMUYSIY-UHFFFAOYSA-N	1	0	310.441	3.780	40	0	in-vitro	DHABRO
CC[C@@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100196	563517098	/nfs/dbraw/zinc/51/70/98/563517098.db2.gz	HLMHPFIYXBXSAN-XLIONFOSSA-N	1	0	314.473	3.832	40	0		DHABRO
NNc1cc(-c2nc(-c3ccccc3Cl)cs2)cc[nH+]1	ZINC000089263544	563524248	/nfs/dbraw/zinc/52/42/48/563524248.db2.gz	YKWUEPTVLZIIHS-UHFFFAOYSA-N	1	0	302.790	3.811	40	0		DHABRO
C[C@@H]([NH2+][C@@H]1COCC[C@]1(O)/C=C/c1ccccc1)c1ccccc1	ZINC000095951570	563531444	/nfs/dbraw/zinc/53/14/44/563531444.db2.gz	SRTUKJZRWWXNMC-QUHVZGFBSA-N	1	0	323.436	3.571	40	0		DHABRO
COc1ccc(C[N@H+]2CC[C@@H](OC)[C@@H]2Cc2ccccc2)cc1	ZINC000096061576	563531984	/nfs/dbraw/zinc/53/19/84/563531984.db2.gz	FJLMUHBVMNEAFZ-VQTJNVASSA-N	1	0	311.425	3.527	40	0		DHABRO
c1cc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)co1	ZINC000096061585	563532298	/nfs/dbraw/zinc/53/22/98/563532298.db2.gz	BBLYVSASGMNVFO-VQTJNVASSA-N	1	0	311.425	3.892	40	0		DHABRO
O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]C1CCCCCC1	ZINC000585289570	563542383	/nfs/dbraw/zinc/54/23/83/563542383.db2.gz	RSOPBKNDZDWCHR-IPMKNSEASA-N	1	0	303.446	3.660	40	0		DHABRO
Cc1ccc2cc(C[NH2+]CCc3ccccc3F)c(=O)[nH]c2c1C	ZINC000013566551	563660510	/nfs/dbraw/zinc/66/05/10/563660510.db2.gz	MOPONKSFGMCCNS-UHFFFAOYSA-N	1	0	324.399	3.616	40	0		DHABRO
Fc1ccccc1-c1nnc([C@H]2CC[N@@H+](C3CCCCC3)C2)o1	ZINC000049170532	563700965	/nfs/dbraw/zinc/70/09/65/563700965.db2.gz	YZTFCVVGTKCHQO-ZDUSSCGKSA-N	1	0	315.392	3.998	40	0	biogenic,in-vitro	DHABRO
CC(C)[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000225213976	563750216	/nfs/dbraw/zinc/75/02/16/563750216.db2.gz	GIEICFOSJOJGJH-CVEARBPZSA-N	1	0	302.462	3.693	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000225213938	563750479	/nfs/dbraw/zinc/75/04/79/563750479.db2.gz	GIEICFOSJOJGJH-HZPDHXFCSA-N	1	0	302.462	3.693	40	0		DHABRO
Cc1csc(-c2cc(C)nc([C@H]3CCC[N@@H+](C(C)C)C3)n2)n1	ZINC000257332367	563792493	/nfs/dbraw/zinc/79/24/93/563792493.db2.gz	XWZARYMOXQQPLU-AWEZNQCLSA-N	1	0	316.474	3.805	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(c2cccc(Cl)c2)CC1	ZINC000098213865	563839933	/nfs/dbraw/zinc/83/99/33/563839933.db2.gz	OWSQMSLYJIKODG-UHFFFAOYSA-N	1	0	310.825	3.525	40	0		DHABRO
Cc1ccc(OC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1	ZINC000027666036	563857011	/nfs/dbraw/zinc/85/70/11/563857011.db2.gz	PKYYEHCFPBUZQR-INIZCTEOSA-N	1	0	305.462	3.778	40	0		DHABRO
C[C@@H]1C[NH+](C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@@H](C)O1	ZINC000575421945	563857056	/nfs/dbraw/zinc/85/70/56/563857056.db2.gz	DDYRRJSHTGELEI-HLSYRSCKSA-N	1	0	324.262	3.662	40	0		DHABRO
COc1ccc2[nH]c([C@H]3CC[N@H+](CC4CCCCC4)C3)nc2c1	ZINC000035446748	563867021	/nfs/dbraw/zinc/86/70/21/563867021.db2.gz	UBZBSXLGDJZDMT-HNNXBMFYSA-N	1	0	313.445	3.941	40	0	biogenic,in-vitro	DHABRO
COc1ccc(C[N@@H+]2CC[C@H](c3nc4cc(C)ccc4[nH]3)C2)cc1	ZINC000035446542	563867416	/nfs/dbraw/zinc/86/74/16/563867416.db2.gz	TVPTVJLEVWLYNH-INIZCTEOSA-N	1	0	321.424	3.869	40	0	biogenic,in-vitro	DHABRO
C[N@@H+]1CCCCC[C@@H]2N(C(=O)CC3CCCCC3)CC[C@@]21C	ZINC000019713417	563922802	/nfs/dbraw/zinc/92/28/02/563922802.db2.gz	VTGUYMITJBJSAY-HKUYNNGSSA-N	1	0	306.494	3.822	40	0		DHABRO
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)C1	ZINC000036067876	563923150	/nfs/dbraw/zinc/92/31/50/563923150.db2.gz	CKEJEBVIPPRBQU-SJORKVTESA-N	1	0	314.473	3.791	40	0		DHABRO
Cc1cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc(C)c1OC(C)C	ZINC000095095401	563930868	/nfs/dbraw/zinc/93/08/68/563930868.db2.gz	OUQOQKHALJADRV-HNNXBMFYSA-N	1	0	315.417	3.955	40	0		DHABRO
CC(C)(C)Nc1nc(NCCc2ccccc2)cc(C2CC2)[nH+]1	ZINC000329066629	563959732	/nfs/dbraw/zinc/95/97/32/563959732.db2.gz	YCROJBFHDFERDT-UHFFFAOYSA-N	1	0	310.445	4.219	40	0		DHABRO
CC[C@@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C(C)C)[nH+]1	ZINC000329016485	563960304	/nfs/dbraw/zinc/96/03/04/563960304.db2.gz	NHIGIAVEYZHRKK-OAHLLOKOSA-N	1	0	324.472	4.373	40	0		DHABRO
CC[C@@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc(C)[nH+]1	ZINC000329001500	563960390	/nfs/dbraw/zinc/96/03/90/563960390.db2.gz	KEXMFAHBJDOSOW-CQSZACIVSA-N	1	0	324.472	4.337	40	0		DHABRO
CC[NH+](CC)CCC[C@H](C)Nc1ncnc2oc(C)c(C)c21	ZINC000001560346	568412213	/nfs/dbraw/zinc/41/22/13/568412213.db2.gz	PESHUDHSFUXZKS-LBPRGKRZSA-N	1	0	304.438	3.762	40	0		DHABRO
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2cccc3ccccc32)C1	ZINC000036597087	1023165704	/nfs/dbraw/zinc/16/57/04/1023165704.db2.gz	HFXCITHPWPIGGI-BQFCYCMXSA-N	1	0	313.441	3.557	40	0		DHABRO
C[C@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1	ZINC000079438545	185171334	/nfs/dbraw/zinc/17/13/34/185171334.db2.gz	CPRORZXBJYSPNC-LSDHHAIUSA-N	1	0	319.449	3.522	40	0		DHABRO
c1ccc2c(c1)cncc2C[C@@H]1CC[N@H+](Cc2cccnc2)C1	ZINC000072367969	191137747	/nfs/dbraw/zinc/13/77/47/191137747.db2.gz	WZWMNFIANIMUCR-INIZCTEOSA-N	1	0	303.409	3.694	40	0		DHABRO
Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCC[NH2+]2)n1	ZINC000072376717	191138807	/nfs/dbraw/zinc/13/88/07/191138807.db2.gz	DKBPPNSVQHKJEC-ZDUSSCGKSA-N	1	0	322.334	3.559	40	0		DHABRO
c1cn(-c2cccc([C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cn1	ZINC000072378657	191141680	/nfs/dbraw/zinc/14/16/80/191141680.db2.gz	ARYAAYBLDYTALS-SFHVURJKSA-N	1	0	318.424	3.647	40	0		DHABRO
C[C@@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)C[C@@H](C)O1	ZINC000072393348	191149421	/nfs/dbraw/zinc/14/94/21/191149421.db2.gz	LCESVPMCNCNJJM-ZIAGYGMSSA-N	1	0	313.445	3.830	40	0		DHABRO
C[NH+](C)CC1(C)COC(c2ccccc2)(c2ccccc2)OC1	ZINC000001671126	180886423	/nfs/dbraw/zinc/88/64/23/180886423.db2.gz	JXEOBFGTAAWOGC-UHFFFAOYSA-N	1	0	311.425	3.502	40	0		DHABRO
C[C@H](C[NH+]1CCCC1)[C@](O)(Cc1ccccc1)c1ccccc1	ZINC000001726854	180892380	/nfs/dbraw/zinc/89/23/80/180892380.db2.gz	HAHXIOSXBVTRRT-WIYYLYMNSA-N	1	0	309.453	3.849	40	0		DHABRO
C[C@H]1CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1	ZINC000003564623	181035176	/nfs/dbraw/zinc/03/51/76/181035176.db2.gz	FXLKDKLLSAGXGV-KRWDZBQOSA-N	1	0	322.452	3.624	40	0		DHABRO
Clc1ccc(/C=C/C[NH2+]CCCSc2ncccn2)cc1	ZINC000004984237	181184347	/nfs/dbraw/zinc/18/43/47/181184347.db2.gz	QKKLPRSFMQJNPQ-DAFODLJHSA-N	1	0	319.861	3.915	40	0		DHABRO
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C(Cl)(Cl)Cl	ZINC000005996860	181304337	/nfs/dbraw/zinc/30/43/37/181304337.db2.gz	AVROCAHFDIYXCO-UHFFFAOYSA-N	1	0	321.635	3.591	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000195464835	201392504	/nfs/dbraw/zinc/39/25/04/201392504.db2.gz	OFOBTUQSDUZIBP-CQSZACIVSA-N	1	0	322.880	3.713	40	0		DHABRO
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1	ZINC000257276644	203003343	/nfs/dbraw/zinc/00/33/43/203003343.db2.gz	NUOPTTVKRXAHDD-CQSZACIVSA-N	1	0	323.362	3.737	40	0		DHABRO
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(C(F)(F)F)cc3)C2)n1	ZINC000257276643	203005033	/nfs/dbraw/zinc/00/50/33/203005033.db2.gz	NUOPTTVKRXAHDD-AWEZNQCLSA-N	1	0	323.362	3.737	40	0		DHABRO
[NH3+]C[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc43)o2)CC1	ZINC000257306148	203030355	/nfs/dbraw/zinc/03/03/55/203030355.db2.gz	STDDUCHNHKMZCV-MQMHXKEQSA-N	1	0	308.385	3.517	40	0		DHABRO
CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2cccnc2)n1	ZINC000257286939	203013603	/nfs/dbraw/zinc/01/36/03/203013603.db2.gz	PNSPYMUGHLRQGI-IBGZPJMESA-N	1	0	324.472	3.530	40	0		DHABRO
Cc1cc(-c2noc(C3CC[NH2+]CC3)n2)cc(C)c1OC(C)C	ZINC000095095371	193422977	/nfs/dbraw/zinc/42/29/77/193422977.db2.gz	ATYQZZVKONQTKE-UHFFFAOYSA-N	1	0	315.417	3.608	40	0		DHABRO
COc1ccc(C[N@@H+]2CCC[C@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236403	181742885	/nfs/dbraw/zinc/74/28/85/181742885.db2.gz	LSBHUEHEOSZKOE-SFHVURJKSA-N	1	0	307.397	3.909	40	0		DHABRO
COc1ccc2[nH]cc(CC[NH2+]Cc3ccc4[nH]ccc4c3)c2c1	ZINC000015424203	182001982	/nfs/dbraw/zinc/00/19/82/182001982.db2.gz	MTSKDUSADPISFW-UHFFFAOYSA-N	1	0	319.408	3.990	40	0		DHABRO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1	ZINC000017110330	182075969	/nfs/dbraw/zinc/07/59/69/182075969.db2.gz	OVQQEGZJIGLKBO-ONSUTHQWSA-N	1	0	321.420	3.861	40	0		DHABRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(F)ccc2F)on1	ZINC000019120520	182105059	/nfs/dbraw/zinc/10/50/59/182105059.db2.gz	DHJWZPLNQFVKPP-YVEFUNNKSA-N	1	0	306.356	3.762	40	0		DHABRO
c1ccc(C[NH+]2CCC(c3nnc(-c4cccnc4)o3)CC2)cc1	ZINC000019371881	182119939	/nfs/dbraw/zinc/11/99/39/182119939.db2.gz	HKEFNOJIJDASMO-UHFFFAOYSA-N	1	0	320.396	3.511	40	0		DHABRO
c1cc(-c2noc([C@@H]3CC[N@@H+](CC4CCCCC4)C3)n2)ccn1	ZINC000019405871	182121627	/nfs/dbraw/zinc/12/16/27/182121627.db2.gz	AATCIHJDOVYKNY-MRXNPFEDSA-N	1	0	312.417	3.501	40	0		DHABRO
Cc1nn(C)cc1C[N@@H+]1C[C@@H](c2ccccc2)C2(CCCC2)C1	ZINC000019583732	182132270	/nfs/dbraw/zinc/13/22/70/182132270.db2.gz	UQWQSJGPWLYRMU-IBGZPJMESA-N	1	0	309.457	3.888	40	0		DHABRO
CC(C)(C)OC(=O)NC[C@H]([NH3+])c1ccc(Cl)cc1Cl	ZINC000019796211	182150958	/nfs/dbraw/zinc/15/09/58/182150958.db2.gz	CGCRUHRFBBMTQY-NSHDSACASA-N	1	0	305.205	3.518	40	0		DHABRO
Clc1cccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1	ZINC000019831794	182154876	/nfs/dbraw/zinc/15/48/76/182154876.db2.gz	RIXXVXALVTVHMJ-NJAFHUGGSA-N	1	0	316.876	3.670	40	0		DHABRO
C[C@@H]1CCCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1	ZINC000020485997	182223034	/nfs/dbraw/zinc/22/30/34/182223034.db2.gz	CKEJEBVIPPRBQU-DLBZAZTESA-N	1	0	314.473	3.791	40	0		DHABRO
COc1ccc(C[C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC	ZINC000024717781	182389138	/nfs/dbraw/zinc/38/91/38/182389138.db2.gz	YTQGNJREACYOPU-QGZVFWFLSA-N	1	0	322.408	3.615	40	0		DHABRO
CCCC[C@@](O)(CC[NH+]1CCCCC1)c1ccc(OC)cc1	ZINC000027346629	182470030	/nfs/dbraw/zinc/47/00/30/182470030.db2.gz	BQKCVFVIYPWROE-LJQANCHMSA-N	1	0	305.462	3.949	40	0		DHABRO
Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1	ZINC000100809712	193804594	/nfs/dbraw/zinc/80/45/94/193804594.db2.gz	IZTBYOBQQOPEHY-CALCHBBNSA-N	1	0	318.461	3.921	40	0		DHABRO
Cc1cc(C)cc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000044080846	183394105	/nfs/dbraw/zinc/39/41/05/183394105.db2.gz	GBNCMPMAVAXBOY-CQSZACIVSA-N	1	0	319.518	3.712	40	0		DHABRO
C[NH+](C)CCCN(Cc1ccco1)Cc1ccc2ncccc2c1	ZINC000057810856	184055688	/nfs/dbraw/zinc/05/56/88/184055688.db2.gz	KAFWOEXLMWDXTQ-UHFFFAOYSA-N	1	0	323.440	3.782	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1	ZINC000061246990	184166762	/nfs/dbraw/zinc/16/67/62/184166762.db2.gz	AGTARFMCLKUNCV-UHFFFAOYSA-N	1	0	305.491	3.548	40	0		DHABRO
CCCCOc1ccc(C[NH2+]C[C@H]2CCCO2)cc1OCC	ZINC000119591584	256585487	/nfs/dbraw/zinc/58/54/87/256585487.db2.gz	ICJVBZVIZNJFMA-MRXNPFEDSA-N	1	0	307.434	3.533	40	0		DHABRO
Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1SC(C)(C)C	ZINC000072224764	257123308	/nfs/dbraw/zinc/12/33/08/257123308.db2.gz	VAWHZMWTGDNIBT-UHFFFAOYSA-N	1	0	307.507	3.811	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@@H]1CCCN1C(=O)OC(C)(C)C	ZINC000072218737	257123911	/nfs/dbraw/zinc/12/39/11/257123911.db2.gz	REUUIBBYZJSEQX-AWEZNQCLSA-N	1	0	305.422	3.528	40	0		DHABRO
CNc1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1	ZINC000072219128	257124201	/nfs/dbraw/zinc/12/42/01/257124201.db2.gz	GBXGTIRNLURGME-AWEZNQCLSA-N	1	0	305.422	3.894	40	0		DHABRO
CNc1ncc([C@@H]2CCCCN2C(=O)c2ccccc2)cc1C	ZINC000072219016	257124441	/nfs/dbraw/zinc/12/44/41/257124441.db2.gz	DPLMSAHVUVOKDZ-KRWDZBQOSA-N	1	0	309.413	3.799	40	0		DHABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214379	257125961	/nfs/dbraw/zinc/12/59/61/257125961.db2.gz	YAWHDDMFCOZZIY-CQSZACIVSA-N	1	0	305.422	3.976	40	0		DHABRO
CC(C)(C)[N@H+](CC(=O)c1cc(O)cc(O)c1)Cc1ccccc1	ZINC000038647308	257129822	/nfs/dbraw/zinc/12/98/22/257129822.db2.gz	KJZOTGCJVSCWKL-UHFFFAOYSA-N	1	0	313.397	3.581	40	0		DHABRO
COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1	ZINC000019557587	262507887	/nfs/dbraw/zinc/50/78/87/262507887.db2.gz	PKRIDGKYLLMKGD-IQOMPXODSA-N	1	0	315.457	3.594	40	0		DHABRO
Cc1cccc2sc(-c3cc(Br)c[n+](C)c3)nc21	ZINC000226776841	563605502	/nfs/dbraw/zinc/60/55/02/563605502.db2.gz	RFUQIGXCSKHVKG-UHFFFAOYSA-N	1	0	320.235	3.859	40	0		DHABRO
CC(C)CC(CC(C)C)[NH2+]CCOC(=O)Cc1ccccc1	ZINC000001710533	563292735	/nfs/dbraw/zinc/29/27/35/563292735.db2.gz	MVWQJMBJJSUGPV-UHFFFAOYSA-N	1	0	305.462	3.823	40	0		DHABRO
C[NH+]1CCC(=C2c3ccsc3C[C@@H](O)c3ccccc32)CC1	ZINC000002027983	563298553	/nfs/dbraw/zinc/29/85/53/563298553.db2.gz	ZSHTUWQHLKCHLO-QGZVFWFLSA-N	1	0	311.450	3.865	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000002694414	563311642	/nfs/dbraw/zinc/31/16/42/563311642.db2.gz	ZGDNITHMLAZCBL-IAGOWNOFSA-N	1	0	305.462	3.672	40	0		DHABRO
C[NH2+]CCCNCc1ccccc1OCc1ccc(Cl)cc1	ZINC000008377252	563346750	/nfs/dbraw/zinc/34/67/50/563346750.db2.gz	NKEXPNYIDTUEHF-UHFFFAOYSA-N	1	0	318.848	3.618	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccccn2)c1	ZINC000012085264	563361541	/nfs/dbraw/zinc/36/15/41/563361541.db2.gz	YBKLQPLDFPGHIL-XAUMDUMWSA-N	1	0	324.424	3.522	40	0		DHABRO
COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2cccnc2)cc1	ZINC000012222600	563364671	/nfs/dbraw/zinc/36/46/71/563364671.db2.gz	AWCDBPOHAKXSBK-UWVAXJGDSA-N	1	0	324.424	3.522	40	0		DHABRO
Cc1ccc(C2([NH2+]Cc3ccnn3[C@H]3CCCCO3)CC2)cc1	ZINC000012238735	563365401	/nfs/dbraw/zinc/36/54/01/563365401.db2.gz	VKYZIBSAOHSTBU-GOSISDBHSA-N	1	0	311.429	3.670	40	0		DHABRO
Fc1ccc(CC[NH2+]Cc2cccc(Br)c2)cc1	ZINC000016386205	563412304	/nfs/dbraw/zinc/41/23/04/563412304.db2.gz	OLEVYDNFBXSGKT-UHFFFAOYSA-N	1	0	308.194	3.921	40	0		DHABRO
Cc1cccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)c1	ZINC000027789158	563430233	/nfs/dbraw/zinc/43/02/33/563430233.db2.gz	PZDWONXNIYYYTG-UHFFFAOYSA-N	1	0	305.425	3.989	40	0		DHABRO
CN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1	ZINC000044904714	563464329	/nfs/dbraw/zinc/46/43/29/563464329.db2.gz	BDZGNYCLIQGBSS-UHFFFAOYSA-N	1	0	300.446	3.687	40	0		DHABRO
C[C@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2)C1	ZINC000046960935	563465521	/nfs/dbraw/zinc/46/55/21/563465521.db2.gz	MIKABUNYWYRRTM-HNNXBMFYSA-N	1	0	322.880	3.511	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1	ZINC000247884855	563480082	/nfs/dbraw/zinc/48/00/82/563480082.db2.gz	SLJQCXKWMCDIOX-ZBRFXRBCSA-N	1	0	311.510	3.557	40	0		DHABRO
CC[C@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC	ZINC000096524936	563486065	/nfs/dbraw/zinc/48/60/65/563486065.db2.gz	JNBSFQJXABHEKT-QZTJIDSGSA-N	1	0	317.454	3.567	40	0		DHABRO
c1cc(COC2CCCCC2)ccc1CCC[NH+]1CCOCC1	ZINC000068606110	563495860	/nfs/dbraw/zinc/49/58/60/563495860.db2.gz	ZTPVQWSITZDCKJ-UHFFFAOYSA-N	1	0	317.473	3.801	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1	ZINC000078578424	563513764	/nfs/dbraw/zinc/51/37/64/563513764.db2.gz	JIMIGUPCOVPMKW-OAHLLOKOSA-N	1	0	310.397	3.759	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](CCc1ccccc1)CC2	ZINC000585103498	563516988	/nfs/dbraw/zinc/51/69/88/563516988.db2.gz	BJBUBMJGFJPVBA-IBGZPJMESA-N	1	0	317.473	3.527	40	0		DHABRO
Cc1nc(CN2CCCC23CC[NH+](CC2CCC2)CC3)cs1	ZINC000096075299	563533451	/nfs/dbraw/zinc/53/34/51/563533451.db2.gz	WVJPGNWDBQYJHW-UHFFFAOYSA-N	1	0	319.518	3.682	40	0		DHABRO
CCC(CC)[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O	ZINC000585288893	563542388	/nfs/dbraw/zinc/54/23/88/563542388.db2.gz	BMJMWILKLDRMJF-GVDBMIGSSA-N	1	0	311.853	3.779	40	0		DHABRO
C[N@H+](C1CCCCC1)[C@H]1CCC[C@@H](Oc2ccc(F)cc2)[C@@H]1O	ZINC000585289907	563542542	/nfs/dbraw/zinc/54/25/42/563542542.db2.gz	XDQUBWVDKCHBGY-IPMKNSEASA-N	1	0	321.436	3.751	40	0		DHABRO
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1	ZINC000017466902	563543371	/nfs/dbraw/zinc/54/33/71/563543371.db2.gz	JYAYGACMDBQVJS-JFIYKMOQSA-N	1	0	319.489	3.987	40	0		DHABRO
Cc1ccc2cc(C[NH2+]Cc3ccccc3Cl)c(=O)[nH]c2c1	ZINC000013999219	563549403	/nfs/dbraw/zinc/54/94/03/563549403.db2.gz	LJJDXIPJLBQTQV-UHFFFAOYSA-N	1	0	312.800	3.780	40	0		DHABRO
CCOc1ccc2[nH]c(=O)c(C[NH2+][C@H](C)c3ccccc3)cc2c1	ZINC000013998770	563549424	/nfs/dbraw/zinc/54/94/24/563549424.db2.gz	MFECMHKVFXZMHB-CQSZACIVSA-N	1	0	322.408	3.778	40	0		DHABRO
CC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3o2)c1	ZINC000226774774	563605469	/nfs/dbraw/zinc/60/54/69/563605469.db2.gz	BNVUSDYIOMHEFD-UHFFFAOYSA-N	1	0	318.194	3.873	40	0		DHABRO
CCCOc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C	ZINC000095095400	563653724	/nfs/dbraw/zinc/65/37/24/563653724.db2.gz	KLGGHIGXDYLJET-OAHLLOKOSA-N	1	0	315.417	3.957	40	0		DHABRO
Fc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1F	ZINC000049169045	563701128	/nfs/dbraw/zinc/70/11/28/563701128.db2.gz	KKEGEKFLGAEIIM-ZDUSSCGKSA-N	1	0	313.351	3.831	40	0	biogenic,in-vitro	DHABRO
CCN(CC)CC[NH2+]Cc1ccc(OCc2cccs2)cc1	ZINC000022076420	563713778	/nfs/dbraw/zinc/71/37/78/563713778.db2.gz	SKTNVDCPJXNJTI-UHFFFAOYSA-N	1	0	318.486	3.759	40	0		DHABRO
COc1cccc(C=O)c1OCCCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217792800	563714670	/nfs/dbraw/zinc/71/46/70/563714670.db2.gz	RACGSBWQCKZWDM-HOTGVXAUSA-N	1	0	319.445	3.930	40	0		DHABRO
Cc1ccc(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(Cl)c1	ZINC000225001630	563746079	/nfs/dbraw/zinc/74/60/79/563746079.db2.gz	YSHDFEZANFGHKA-HUUCEWRRSA-N	1	0	322.880	3.746	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000225219808	563750174	/nfs/dbraw/zinc/75/01/74/563750174.db2.gz	KQHVQLQFCSWEST-CQSZACIVSA-N	1	0	322.880	3.713	40	0		DHABRO
CC[NH+]1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2	ZINC000225818357	563764105	/nfs/dbraw/zinc/76/41/05/563764105.db2.gz	FPJLEKTUXPDYCW-UHFFFAOYSA-N	1	0	301.430	3.804	40	0		DHABRO
CC(C)[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000260893039	563781362	/nfs/dbraw/zinc/78/13/62/563781362.db2.gz	GIEICFOSJOJGJH-HOTGVXAUSA-N	1	0	302.462	3.693	40	0		DHABRO
Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1	ZINC000257256492	563792478	/nfs/dbraw/zinc/79/24/78/563792478.db2.gz	KLRZXNHLSCZDAQ-MRXNPFEDSA-N	1	0	306.413	3.646	40	0		DHABRO
CC(C)n1cc(-c2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257333880	563793062	/nfs/dbraw/zinc/79/30/62/563793062.db2.gz	YDMRWYPDLRTTQK-HNNXBMFYSA-N	1	0	313.449	3.509	40	0		DHABRO
Cc1ccsc1C[NH2+]C1CCN(Cc2ccccc2)CC1	ZINC000000251573	563819415	/nfs/dbraw/zinc/81/94/15/563819415.db2.gz	PEWMPEANUHTMJN-UHFFFAOYSA-N	1	0	300.471	3.811	40	0		DHABRO
Cc1nc(N2Cc3ccccc3CC2(C)C)cc(NC2CC2)[nH+]1	ZINC000328994380	563832659	/nfs/dbraw/zinc/83/26/59/563832659.db2.gz	JCWYJPMUQVPFLM-UHFFFAOYSA-N	1	0	308.429	3.701	40	0		DHABRO
Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC2CC2)[nH+]1	ZINC000328997318	563832735	/nfs/dbraw/zinc/83/27/35/563832735.db2.gz	JOTDQIQUNKEQRI-UHFFFAOYSA-N	1	0	308.429	3.657	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccccc2Cl)CC1	ZINC000098213813	563839971	/nfs/dbraw/zinc/83/99/71/563839971.db2.gz	MKPAJGMYYUKJDE-UHFFFAOYSA-N	1	0	324.852	3.611	40	0		DHABRO
Cc1ccc(F)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1	ZINC000067801033	563868645	/nfs/dbraw/zinc/86/86/45/563868645.db2.gz	LVAVXSQSGLIHAK-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
CC(C)(C)c1ccc(CCC(=O)NCC[NH+]2CCCCC2)cc1	ZINC000010328687	563922594	/nfs/dbraw/zinc/92/25/94/563922594.db2.gz	KTYYFOSADZOKLT-UHFFFAOYSA-N	1	0	316.489	3.519	40	0		DHABRO
CCNc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C(C)C)[nH+]1	ZINC000329032287	563959873	/nfs/dbraw/zinc/95/98/73/563959873.db2.gz	QOPYBUZODOJSDA-UHFFFAOYSA-N	1	0	324.472	4.330	40	0		DHABRO
[NH3+][C@@H](c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000113858674	568421960	/nfs/dbraw/zinc/42/19/60/568421960.db2.gz	PXEHHIASXKUAMW-IBGZPJMESA-N	1	0	324.424	3.735	40	0		DHABRO
CCC[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1	ZINC000226774749	201788026	/nfs/dbraw/zinc/78/80/26/201788026.db2.gz	HPTJDQAKJYGTFN-UHFFFAOYSA-N	1	0	318.194	3.955	40	0		DHABRO
Cc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1	ZINC000072366757	191136931	/nfs/dbraw/zinc/13/69/31/191136931.db2.gz	ZCIXBNJDXNNAEG-IBGZPJMESA-N	1	0	318.424	3.913	40	0		DHABRO
C[N@H+](CCc1ccncc1)Cc1c2cccnc2[nH]c1C(C)(C)C	ZINC000072393648	191149387	/nfs/dbraw/zinc/14/93/87/191149387.db2.gz	QWRJXPNPPSIFRE-UHFFFAOYSA-N	1	0	322.456	3.930	40	0		DHABRO
c1cc([C@@H]2C[N@@H+](C[C@@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1	ZINC000072395192	191150129	/nfs/dbraw/zinc/15/01/29/191150129.db2.gz	JGSZVWCSZFRMMG-NZSAHSFTSA-N	1	0	307.441	3.949	40	0		DHABRO
c1ccc(Oc2cncc(N3CC[C@@]4(C[C@H]5CC[N@@H+]4C5)C3)c2)cc1	ZINC000003937371	181058067	/nfs/dbraw/zinc/05/80/67/181058067.db2.gz	ZJUHPOJXMRRNNF-OXQOHEQNSA-N	1	0	321.424	3.548	40	0		DHABRO
CC(C)c1ccc(OC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)cc1	ZINC000004164582	181080194	/nfs/dbraw/zinc/08/01/94/181080194.db2.gz	JQKCVMHFHDPFRO-NUJGCVRESA-N	1	0	305.462	3.813	40	0		DHABRO
CCCC[NH2+]CC[C@@]1(c2ccccc2)c2ccccc2OC1=O	ZINC000004683397	181136444	/nfs/dbraw/zinc/13/64/44/181136444.db2.gz	AODFLRSUTRNJRQ-HXUWFJFHSA-N	1	0	309.409	3.672	40	0		DHABRO
CCOC(=O)[C@H]1CC2(CC[C@@H]1[NH3+])c1ccccc1-c1ccccc12	ZINC000004742914	181146145	/nfs/dbraw/zinc/14/61/45/181146145.db2.gz	ZXMLXVVRBMOTQI-LPHOPBHVSA-N	1	0	321.420	3.644	40	0		DHABRO
C[C@@H]1CCCC[N@@H+]1CC(=O)NC(c1ccccc1)c1ccccc1	ZINC000004968578	181181208	/nfs/dbraw/zinc/18/12/08/181181208.db2.gz	HUAVVMNRDYDBOF-QGZVFWFLSA-N	1	0	322.452	3.767	40	0		DHABRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccccc1C(C)(C)C	ZINC000005049797	181197029	/nfs/dbraw/zinc/19/70/29/181197029.db2.gz	HNHQAOOBEYWCDN-ULQDDVLXSA-N	1	0	319.489	3.987	40	0		DHABRO
CC1(C)[C@H](C[C@@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@@H]2CC[C@H]1C2	ZINC000005415887	181240792	/nfs/dbraw/zinc/24/07/92/181240792.db2.gz	IUQYLYYXKZJRJM-DISONHOPSA-N	1	0	307.478	3.676	40	0		DHABRO
CCCCOc1ccc(C[C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000005732803	181278731	/nfs/dbraw/zinc/27/87/31/181278731.db2.gz	CAYFNLUNTXBSSB-FUHWJXTLSA-N	1	0	305.462	3.643	40	0		DHABRO
C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc2ccccc2c1	ZINC000006008042	181305854	/nfs/dbraw/zinc/30/58/54/181305854.db2.gz	NXCMPCZBKQUWRK-JTDSTZFVSA-N	1	0	313.441	3.842	40	0		DHABRO
CC1=[NH+]C[C@H](C)Nc2c3ccccc3n(-c3ccccc3)c(=O)c21	ZINC000006199923	181318362	/nfs/dbraw/zinc/31/83/62/181318362.db2.gz	FWLQUSMXSOWPNL-ZDUSSCGKSA-N	1	0	317.392	3.614	40	0		DHABRO
Cc1ccsc1C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1	ZINC000006319330	181329899	/nfs/dbraw/zinc/32/98/99/181329899.db2.gz	RRUHVYARRKVNJB-UHFFFAOYSA-N	1	0	320.502	3.527	40	0		DHABRO
Cc1csc(-c2cc(CC3CC[NH+](C(C)C)CC3)ncn2)n1	ZINC000257232102	202965344	/nfs/dbraw/zinc/96/53/44/202965344.db2.gz	GJLAPAUNYQFNES-UHFFFAOYSA-N	1	0	316.474	3.571	40	0		DHABRO
CC(C)n1cc(-c2cnc([C@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1	ZINC000257301462	203025914	/nfs/dbraw/zinc/02/59/14/203025914.db2.gz	RYNMPNBGXGANIC-HNNXBMFYSA-N	1	0	313.449	3.509	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@H](N3CCc4ccccc4C3)C2)cc1	ZINC000019927144	182165055	/nfs/dbraw/zinc/16/50/55/182165055.db2.gz	ODVVJXVYUJETBD-NRFANRHFSA-N	1	0	306.453	3.709	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3)cc2)C1	ZINC000022523695	182324778	/nfs/dbraw/zinc/32/47/78/182324778.db2.gz	JVVXVPANSMUZAE-QGZVFWFLSA-N	1	0	322.452	3.849	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)N3CCCCCC3)cc2)CC1	ZINC000022526470	182325168	/nfs/dbraw/zinc/32/51/68/182325168.db2.gz	DSBOZTPQYHIACE-UHFFFAOYSA-N	1	0	314.473	3.935	40	0		DHABRO
Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1	ZINC000024189816	182376699	/nfs/dbraw/zinc/37/66/99/182376699.db2.gz	JQXCJUMQWMDHMU-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2)CC1	ZINC000035957319	182790943	/nfs/dbraw/zinc/79/09/43/182790943.db2.gz	UPXSIMRVLUQSTF-UHFFFAOYSA-N	1	0	324.852	3.829	40	0		DHABRO
Cc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000038833212	183011149	/nfs/dbraw/zinc/01/11/49/183011149.db2.gz	NFAMFWNPWBXNNM-SFHVURJKSA-N	1	0	308.425	3.846	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000044140357	183396247	/nfs/dbraw/zinc/39/62/47/183396247.db2.gz	WJLUPZYEWQZHKO-IYBDPMFKSA-N	1	0	319.518	3.649	40	0		DHABRO
CCc1cc2nc(C3CC[NH2+]CC3)oc2c(Br)c1	ZINC000062563537	184242583	/nfs/dbraw/zinc/24/25/83/184242583.db2.gz	NQTMMLIOUVAMRA-UHFFFAOYSA-N	1	0	309.207	3.620	40	0		DHABRO
CNc1cc(C)c([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1	ZINC000072219069	257123982	/nfs/dbraw/zinc/12/39/82/257123982.db2.gz	JUJFTINGESOAIJ-CQSZACIVSA-N	1	0	305.422	3.894	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072218768	257124323	/nfs/dbraw/zinc/12/43/23/257124323.db2.gz	BJHUSGJORYMVKO-HNNXBMFYSA-N	1	0	319.449	3.918	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCC[NH2+]1)C1CC1	ZINC000072215394	257126045	/nfs/dbraw/zinc/12/60/45/257126045.db2.gz	INBLUKWKLVJCOR-HNNXBMFYSA-N	1	0	317.433	3.800	40	0		DHABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214440	257126586	/nfs/dbraw/zinc/12/65/86/257126586.db2.gz	MBCDJIYNSFTMFY-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2ccc(C)cc2)CC1	ZINC000039755128	257217462	/nfs/dbraw/zinc/21/74/62/257217462.db2.gz	ANZRNECCBVYNNC-UHFFFAOYSA-N	1	0	302.462	3.513	40	0		DHABRO
COCC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1	ZINC000008469223	563643370	/nfs/dbraw/zinc/64/33/70/563643370.db2.gz	ASWGJVVKUGYAGU-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
C[N@H+](CC[C@@]1(C)c2ccccc2CCC1=O)Cc1ccccc1	ZINC000001581099	563286194	/nfs/dbraw/zinc/28/61/94/563286194.db2.gz	ZMKGNTPUJWEYCT-NRFANRHFSA-N	1	0	307.437	3.982	40	0		DHABRO
CN(C(=O)OCc1ccccc1)[C@H](C[NH+]1CCCC1)C(C)(C)C	ZINC000002580986	563310191	/nfs/dbraw/zinc/31/01/91/563310191.db2.gz	AXKMZANHFOJKST-QGZVFWFLSA-N	1	0	318.461	3.766	40	0		DHABRO
Cc1ccc2c(c1)nnn2C1CC[NH+](Cc2ccccc2)CC1	ZINC000035289475	563331369	/nfs/dbraw/zinc/33/13/69/563331369.db2.gz	YWCZLMBJTVKZRU-UHFFFAOYSA-N	1	0	306.413	3.577	40	0		DHABRO
C[C@H]1CC(C)(C)N(C(=O)C[NH2+]C2CCCC2)c2ccccc21	ZINC000035311380	563331518	/nfs/dbraw/zinc/33/15/18/563331518.db2.gz	CHCFMQIVMMNEOY-AWEZNQCLSA-N	1	0	300.446	3.838	40	0		DHABRO
COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccnc2)c1	ZINC000012085289	563361719	/nfs/dbraw/zinc/36/17/19/563361719.db2.gz	XAGFKPXRNZMYRL-QKLQHJQFSA-N	1	0	324.424	3.522	40	0		DHABRO
COc1ccc(-c2cc([C@@H]3CCCCC[NH2+]3)no2)cc1OC	ZINC000012185179	563363935	/nfs/dbraw/zinc/36/39/35/563363935.db2.gz	AFLZUZCWHDNRIU-ZDUSSCGKSA-N	1	0	302.374	3.564	40	0		DHABRO
Cc1cc2c(cc1C[N@@H+](C)Cc1cccc3ncccc13)OCO2	ZINC000012191743	563363942	/nfs/dbraw/zinc/36/39/42/563363942.db2.gz	PVQKFBUQBJALRW-UHFFFAOYSA-N	1	0	320.392	3.904	40	0		DHABRO
O=c1oc2ccccc2n1[C@@H]1CCC[N@H+](CC2CCCCC2)C1	ZINC000012336912	563365986	/nfs/dbraw/zinc/36/59/86/563365986.db2.gz	LYBDSSYXELFUKU-MRXNPFEDSA-N	1	0	314.429	3.812	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1	ZINC000012170235	563479215	/nfs/dbraw/zinc/47/92/15/563479215.db2.gz	HDWDFQCOCPBEAT-JFIYKMOQSA-N	1	0	319.489	3.702	40	0		DHABRO
CC[C@H](OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1	ZINC000226724610	563479954	/nfs/dbraw/zinc/47/99/54/563479954.db2.gz	FWILNCFMKJDLDO-DKKFBQAASA-N	1	0	305.462	3.778	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc(F)cc1)CC2	ZINC000585104155	563516513	/nfs/dbraw/zinc/51/65/13/563516513.db2.gz	GLVUSILFOSUBBR-KRWDZBQOSA-N	1	0	321.436	3.623	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccsc1)CC2	ZINC000585105224	563516589	/nfs/dbraw/zinc/51/65/89/563516589.db2.gz	QVCPRTOVKITGNS-MRXNPFEDSA-N	1	0	309.475	3.546	40	0		DHABRO
CC(C)CC[N@@H+]1CCC[C@@]2(CCCN2C(=O)c2ccoc2)CC1	ZINC000585100143	563517134	/nfs/dbraw/zinc/51/71/34/563517134.db2.gz	GTVFSBRPRUKMOI-LJQANCHMSA-N	1	0	318.461	3.786	40	0		DHABRO
COCC[C@H]1CCOC12CC[NH+](Cc1cccc(Cl)c1)CC2	ZINC000585104141	563517148	/nfs/dbraw/zinc/51/71/48/563517148.db2.gz	GHTZCFQADSNIPS-INIZCTEOSA-N	1	0	323.864	3.748	40	0		DHABRO
Cc1ccc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)o1	ZINC000096047776	563532681	/nfs/dbraw/zinc/53/26/81/563532681.db2.gz	DHBSYDMVSYDHAA-KRWDZBQOSA-N	1	0	312.413	3.522	40	0		DHABRO
Cc1ccc(C[N@@H+]2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)s1	ZINC000096056413	563532706	/nfs/dbraw/zinc/53/27/06/563532706.db2.gz	MOZWXXOXXQNXQM-KBAYOESNSA-N	1	0	321.486	3.605	40	0		DHABRO
c1cc(C[NH+]2CCC3(C[C@H](OCC4CCC4)CO3)CC2)cs1	ZINC000096106950	563533427	/nfs/dbraw/zinc/53/34/27/563533427.db2.gz	IIEBPPNCHOMCPM-KRWDZBQOSA-N	1	0	321.486	3.688	40	0		DHABRO
Cc1ccc(CC[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1	ZINC000013998925	563549515	/nfs/dbraw/zinc/54/95/15/563549515.db2.gz	MNLMLNLNRMLCKU-UHFFFAOYSA-N	1	0	320.436	3.786	40	0		DHABRO
Cc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3Cl)cc2c1	ZINC000013998958	563549554	/nfs/dbraw/zinc/54/95/54/563549554.db2.gz	JQLHUWMEGGXTNS-UHFFFAOYSA-N	1	0	312.800	3.780	40	0		DHABRO
Fc1ccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)cc1	ZINC000226308278	563605539	/nfs/dbraw/zinc/60/55/39/563605539.db2.gz	SFIXCOOQXUFJMG-UHFFFAOYSA-N	1	0	305.332	3.970	40	0		DHABRO
CC[NH+](CC)CCOC(=O)c1cccc(-c2ccccc2)c1O	ZINC000001999340	563606071	/nfs/dbraw/zinc/60/60/71/563606071.db2.gz	HLDCSYXMVXILQC-UHFFFAOYSA-N	1	0	313.397	3.558	40	0	in-man	DHABRO
Cc1cccc(C)c1NC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000000353313	563616072	/nfs/dbraw/zinc/61/60/72/563616072.db2.gz	RVGMBJVDJFDQQR-INIZCTEOSA-N	1	0	315.461	3.832	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1	ZINC000100809728	563632538	/nfs/dbraw/zinc/63/25/38/563632538.db2.gz	UJAWPDHOXGWNBN-IYBDPMFKSA-N	1	0	322.424	3.751	40	0		DHABRO
COCC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000008469247	563643740	/nfs/dbraw/zinc/64/37/40/563643740.db2.gz	PWVCVERSTMREOE-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
Cc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc(C)c1OC(C)C	ZINC000095095419	563653785	/nfs/dbraw/zinc/65/37/85/563653785.db2.gz	AZASPJVJWMGQOI-AWEZNQCLSA-N	1	0	301.390	3.565	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c(C)c1	ZINC000225720603	563761377	/nfs/dbraw/zinc/76/13/77/563761377.db2.gz	UKICWSOYPQBRQV-GOSISDBHSA-N	1	0	302.462	3.688	40	0		DHABRO
Cc1ncc2cncc([C@H]3CCC[N@H+](Cc4ccccc4F)C3)n12	ZINC000257211336	563790539	/nfs/dbraw/zinc/79/05/39/563790539.db2.gz	BYNANVUAGDRGBO-INIZCTEOSA-N	1	0	324.403	3.556	40	0		DHABRO
Cc1cn(C)c([C@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)n1	ZINC000257220300	563791014	/nfs/dbraw/zinc/79/10/14/563791014.db2.gz	DKHXYHFKDQLUGA-AWEZNQCLSA-N	1	0	323.362	3.737	40	0		DHABRO
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)n1	ZINC000257232653	563791509	/nfs/dbraw/zinc/79/15/09/563791509.db2.gz	GLVWGNHKYJGHKU-CYBMUJFWSA-N	1	0	307.800	3.511	40	0		DHABRO
CCn1nccc1-c1cc(C)nc([C@@H]2CCCC[N@@H+]2C(C)C)n1	ZINC000257234125	563791617	/nfs/dbraw/zinc/79/16/17/563791617.db2.gz	GSGDCINYNIDUHB-KRWDZBQOSA-N	1	0	313.449	3.604	40	0		DHABRO
Cc1nccc([C@H]2CCC[N@@H+]2Cc2ccccc2N2CCCC2)n1	ZINC000257258714	563792874	/nfs/dbraw/zinc/79/28/74/563792874.db2.gz	KVEZHKZGIDCTKL-HXUWFJFHSA-N	1	0	322.456	3.722	40	0		DHABRO
Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1	ZINC000026781125	563795596	/nfs/dbraw/zinc/79/55/96/563795596.db2.gz	OFEQUOJOHSEPLP-DLBZAZTESA-N	1	0	319.489	3.907	40	0		DHABRO
c1ccc(CNc2cc(C3CC3)[nH+]c(NC3CCCCC3)n2)cc1	ZINC000328968404	563832560	/nfs/dbraw/zinc/83/25/60/563832560.db2.gz	CYKRKKSSKHWOPL-UHFFFAOYSA-N	1	0	322.456	3.555	40	0		DHABRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCCCC1)C2	ZINC000035075038	563857865	/nfs/dbraw/zinc/85/78/65/563857865.db2.gz	XSERORFSPSIMSS-PNYFIKQUSA-N	1	0	323.521	3.845	40	0		DHABRO
Cc1ccccc1C[N@@H+]1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1	ZINC000035446616	563867241	/nfs/dbraw/zinc/86/72/41/563867241.db2.gz	JWPGYGJQCVOMJR-HNNXBMFYSA-N	1	0	309.388	4.000	40	0	biogenic,in-vitro	DHABRO
Cc1cc(F)cc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1	ZINC000067801082	563868717	/nfs/dbraw/zinc/86/87/17/563868717.db2.gz	FRZKMQIHKDWXKA-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000255187751	563927730	/nfs/dbraw/zinc/92/77/30/563927730.db2.gz	GNOJHPCDMYQAHO-QAQDUYKDSA-N	1	0	318.461	3.921	40	0		DHABRO
Cc1cccc(OC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)c1	ZINC000002696117	563940362	/nfs/dbraw/zinc/94/03/62/563940362.db2.gz	IMXNKXMLNIVDSD-MRXNPFEDSA-N	1	0	305.462	3.778	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@@H](C)CC)[nH+]1	ZINC000328998058	563960393	/nfs/dbraw/zinc/96/03/93/563960393.db2.gz	JRWBASWHQCPSEN-GJZGRUSLSA-N	1	0	324.472	4.201	40	0		DHABRO
COC(=O)C1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000007391008	1019025435	/nfs/dbraw/zinc/02/54/35/1019025435.db2.gz	XZQGMBRECJULDA-UHFFFAOYSA-N	1	0	307.393	3.641	40	0		DHABRO
COc1ccc(F)c(C[N@@H+](Cc2sccc2C)C[C@@H](C)O)c1	ZINC000013991667	1022010960	/nfs/dbraw/zinc/01/09/60/1022010960.db2.gz	IXOMUNIHWCAFFA-CYBMUJFWSA-N	1	0	323.433	3.587	40	0		DHABRO
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccccc1)C2	ZINC000095630311	185382886	/nfs/dbraw/zinc/38/28/86/185382886.db2.gz	SFSGQPRQMNUZTA-ALOPSCKCSA-N	1	0	316.445	3.707	40	0		DHABRO
CC(C)[C@H]([NH3+])C(=O)N(Cc1c(Cl)cccc1Cl)C(C)C	ZINC000079420402	185170648	/nfs/dbraw/zinc/17/06/48/185170648.db2.gz	CQRNGGXRIBEGNO-AWEZNQCLSA-N	1	0	317.260	3.714	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1	ZINC000082334776	185176165	/nfs/dbraw/zinc/17/61/65/185176165.db2.gz	KLPMBJORBKCSRC-VIFPVBQESA-N	1	0	320.742	3.639	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)cc1	ZINC000225581374	186279851	/nfs/dbraw/zinc/27/98/51/186279851.db2.gz	JSSSMYSLNVRCOC-MRXNPFEDSA-N	1	0	323.481	3.767	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cc1	ZINC000225580043	186280063	/nfs/dbraw/zinc/28/00/63/186280063.db2.gz	FQFICCXELUFNRS-KRWDZBQOSA-N	1	0	319.518	3.936	40	0		DHABRO
CC1CC[NH+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)CC1	ZINC000225592114	186281234	/nfs/dbraw/zinc/28/12/34/186281234.db2.gz	UUNDHQBOTMWVJN-UHFFFAOYSA-N	1	0	318.461	3.782	40	0		DHABRO
Fc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1	ZINC000072355429	191129195	/nfs/dbraw/zinc/12/91/95/191129195.db2.gz	DHTUKQZEARSKPA-GOSISDBHSA-N	1	0	322.387	3.744	40	0		DHABRO
Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2cccs2)n1	ZINC000072355428	191128756	/nfs/dbraw/zinc/12/87/56/191128756.db2.gz	BNWAUIWOIKFTPW-QGZVFWFLSA-N	1	0	324.453	3.974	40	0		DHABRO
CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000072379128	191141024	/nfs/dbraw/zinc/14/10/24/191141024.db2.gz	CQUAWTAZQNPNTJ-KRWDZBQOSA-N	1	0	310.445	3.909	40	0		DHABRO
CCC[NH+](CCC)C[C@@H](O)c1cnc(-c2ccccc2)nc1C	ZINC000001593989	180876915	/nfs/dbraw/zinc/87/69/15/180876915.db2.gz	FFTSSWMLROJZSY-GOSISDBHSA-N	1	0	313.445	3.607	40	0		DHABRO
COc1cc(OC)c(OC)cc1C[NH2+]C1CCCCCCC1	ZINC000001730320	180892951	/nfs/dbraw/zinc/89/29/51/180892951.db2.gz	AGFSUAUWVXBSMV-UHFFFAOYSA-N	1	0	307.434	3.915	40	0		DHABRO
COc1cc2cccnc2c(NCCCC[C@@H]2CCCC[NH2+]2)c1	ZINC000004365389	181102754	/nfs/dbraw/zinc/10/27/54/181102754.db2.gz	LIYDEHVSOATNNT-INIZCTEOSA-N	1	0	313.445	3.968	40	0		DHABRO
CC(C)[N@@H+]1C[C@@H](CCO)C(c2ccccc2)(c2ccccc2)C1	ZINC000005640963	181267320	/nfs/dbraw/zinc/26/73/20/181267320.db2.gz	XZTJWVOZRVENMA-HXUWFJFHSA-N	1	0	309.453	3.695	40	0		DHABRO
Cc1cc(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)ccc1Cl	ZINC000006008668	181305699	/nfs/dbraw/zinc/30/56/99/181305699.db2.gz	GGVNPHJWWXXEJG-HNNXBMFYSA-N	1	0	311.853	3.653	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000006355911	181333946	/nfs/dbraw/zinc/33/39/46/181333946.db2.gz	JHQZQXQDMVUSSM-BBWFWOEESA-N	1	0	305.462	3.672	40	0		DHABRO
C[N@H+](C[C@@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@@]1(C)C2)C1CCCCC1	ZINC000006617272	181361511	/nfs/dbraw/zinc/36/15/11/181361511.db2.gz	NYKSCGZFZQRKJK-UIXUWTQFSA-N	1	0	323.521	3.843	40	0		DHABRO
CC(C)(C)CC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000096156946	193554554	/nfs/dbraw/zinc/55/45/54/193554554.db2.gz	WPKJWJUZVQNOTA-UHFFFAOYSA-N	1	0	320.864	3.744	40	0		DHABRO
O=C1N(c2ccccc2)CC12CC[NH+](CC1CCCCC1)CC2	ZINC000096202928	193579570	/nfs/dbraw/zinc/57/95/70/193579570.db2.gz	AMAWJPPNCJDWNW-UHFFFAOYSA-N	1	0	312.457	3.696	40	0		DHABRO
Cc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@H]3CCCC[C@@H]32)cn1	ZINC000019287292	182112459	/nfs/dbraw/zinc/11/24/59/182112459.db2.gz	GPJVPSKSFOPVDH-MUGJNUQGSA-N	1	0	307.441	3.847	40	0		DHABRO
Cc1cccc2c3c([nH]c21)CC[N@@H+](C[C@H](O)c1cccs1)C3	ZINC000019236587	182110766	/nfs/dbraw/zinc/11/07/66/182110766.db2.gz	OYRKXBJTODMRPL-INIZCTEOSA-N	1	0	312.438	3.630	40	0		DHABRO
COc1ccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)cc1	ZINC000019555192	182130266	/nfs/dbraw/zinc/13/02/66/182130266.db2.gz	PHGXRPREDRUJMC-KRWDZBQOSA-N	1	0	321.424	3.951	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1cccc(Cl)c1	ZINC000019582593	182132259	/nfs/dbraw/zinc/13/22/59/182132259.db2.gz	YYRBHKXQUAOACK-UHFFFAOYSA-N	1	0	308.878	3.965	40	0		DHABRO
CN(C)CC[NH2+]Cc1ccccc1OCc1ccc(Cl)cc1	ZINC000022075012	182307479	/nfs/dbraw/zinc/30/74/79/182307479.db2.gz	MQMIIGPINOMWAH-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038849280	183011348	/nfs/dbraw/zinc/01/13/48/183011348.db2.gz	LDDQRVBFWFNMDZ-INIZCTEOSA-N	1	0	312.388	3.676	40	0		DHABRO
CC1CC[NH+](CCCNC(=O)CCc2ccc(Cl)cc2)CC1	ZINC000041997409	183227813	/nfs/dbraw/zinc/22/78/13/183227813.db2.gz	JDTCGCZVWUNAPA-UHFFFAOYSA-N	1	0	322.880	3.511	40	0		DHABRO
[NH3+][C@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1	ZINC000072225817	257123773	/nfs/dbraw/zinc/12/37/73/257123773.db2.gz	KROXTSGXUOBERP-HXUWFJFHSA-N	1	0	301.393	3.824	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ccc([C@H]2CCC[NH2+]2)cn1)C1CCC1	ZINC000072215425	257125383	/nfs/dbraw/zinc/12/53/83/257125383.db2.gz	WPKBOKOUBHPWRW-OAHLLOKOSA-N	1	0	317.433	3.800	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214378	257125924	/nfs/dbraw/zinc/12/59/24/257125924.db2.gz	HCOGKJUYLVXCNG-AWEZNQCLSA-N	1	0	305.422	3.974	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1	ZINC000072214841	257126561	/nfs/dbraw/zinc/12/65/61/257126561.db2.gz	PKGGCXVBIPODIH-CQSZACIVSA-N	1	0	305.422	3.656	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc(C2CC[NH2+]CC2)n1	ZINC000072209127	257128061	/nfs/dbraw/zinc/12/80/61/257128061.db2.gz	NYLOKVXBBJPXLA-UHFFFAOYSA-N	1	0	321.808	3.644	40	0		DHABRO
C=C1[NH+]=C(SC(C)C)N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000408987128	257224628	/nfs/dbraw/zinc/22/46/28/257224628.db2.gz	DOIKNWAYUHSBTR-HNNXBMFYSA-N	1	0	318.442	3.666	40	0		DHABRO
C[NH+](C)C[C@@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000001641390	563288571	/nfs/dbraw/zinc/28/85/71/563288571.db2.gz	FDNLKUJUVDJABD-MRXNPFEDSA-N	1	0	303.789	3.532	40	0		DHABRO
CCOc1cc(C[NH2+]C(C)(C)C)cc(Br)c1OC	ZINC000008253574	563345464	/nfs/dbraw/zinc/34/54/64/563345464.db2.gz	YPXWCTVEKZECKG-UHFFFAOYSA-N	1	0	316.239	3.745	40	0		DHABRO
CC[C@@H](CO)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1	ZINC000008326383	563346013	/nfs/dbraw/zinc/34/60/13/563346013.db2.gz	SRRTZUFJSDKPLK-INIZCTEOSA-N	1	0	319.832	3.780	40	0		DHABRO
Cc1cc(F)ccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000067802651	563491472	/nfs/dbraw/zinc/49/14/72/563491472.db2.gz	PPVUOYDBSDYBAV-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)c1cccs1	ZINC000071806804	563501131	/nfs/dbraw/zinc/50/11/31/563501131.db2.gz	MLDDBXLGGBZYNN-UHFFFAOYSA-N	1	0	314.454	3.664	40	0		DHABRO
Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(OC(C)C)cc1	ZINC000072340965	563503161	/nfs/dbraw/zinc/50/31/61/563503161.db2.gz	OIUYRKDEEHHPFT-UZLBHIALSA-N	1	0	323.440	3.834	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)C1	ZINC000078578418	563513967	/nfs/dbraw/zinc/51/39/67/563513967.db2.gz	JIMIGUPCOVPMKW-HNNXBMFYSA-N	1	0	310.397	3.759	40	0		DHABRO
COCC[C@H]1Cn2cccc2C[N@H+](Cc2cccc3[nH]ccc32)C1	ZINC000585095447	563515807	/nfs/dbraw/zinc/51/58/07/563515807.db2.gz	QXFRXHOKQQAYOO-MRXNPFEDSA-N	1	0	323.440	3.638	40	0		DHABRO
O=C1CC[C@]2(CCC[N@H+](CC3CC3)CC2)N1CC1CCCCC1	ZINC000585100636	563516714	/nfs/dbraw/zinc/51/67/14/563516714.db2.gz	RGPNIFXAGBNJIL-FQEVSTJZSA-N	1	0	318.505	3.824	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](CCc1ccccc1)CC2	ZINC000585103504	563516721	/nfs/dbraw/zinc/51/67/21/563516721.db2.gz	BJBUBMJGFJPVBA-LJQANCHMSA-N	1	0	317.473	3.527	40	0		DHABRO
CC(C)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N3C)CC2)cc1	ZINC000585100059	563516974	/nfs/dbraw/zinc/51/69/74/563516974.db2.gz	DMNCDFGRNQTLRG-HXUWFJFHSA-N	1	0	314.473	3.787	40	0		DHABRO
CC[C@@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100197	563517054	/nfs/dbraw/zinc/51/70/54/563517054.db2.gz	HLMHPFIYXBXSAN-YLJYHZDGSA-N	1	0	314.473	3.832	40	0		DHABRO
c1csc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1	ZINC000096056998	563532560	/nfs/dbraw/zinc/53/25/60/563532560.db2.gz	JHDIDDVJHZMBTB-ZWKOTPCHSA-N	1	0	321.486	3.546	40	0		DHABRO
C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000096058419	563532587	/nfs/dbraw/zinc/53/25/87/563532587.db2.gz	VXWFTHKDKWPKSE-SFTDATJTSA-N	1	0	324.443	3.674	40	0		DHABRO
CO[C@@H]1CC[N@H+](Cc2nccs2)C[C@@H]1Cc1cccc(C)c1	ZINC000096110200	563533533	/nfs/dbraw/zinc/53/35/33/563533533.db2.gz	RKZLCRJSTNEONC-DLBZAZTESA-N	1	0	316.470	3.531	40	0		DHABRO
Cc1cccc(CN2CCC3(CCC[N@@H+]3CC3CCC3)CC2)n1	ZINC000096159392	563534816	/nfs/dbraw/zinc/53/48/16/563534816.db2.gz	WZTSLFYWJZOBCR-UHFFFAOYSA-N	1	0	313.489	3.621	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCC[C@H]([NH+]2CCCCCCC2)[C@H]1O	ZINC000585288450	563543424	/nfs/dbraw/zinc/54/34/24/563543424.db2.gz	AVXBDENEPIATAE-DFQSSKMNSA-N	1	0	317.473	3.922	40	0		DHABRO
C[n+]1cccc(-c2nc3ccc(Br)cc3s2)c1	ZINC000226776731	563605310	/nfs/dbraw/zinc/60/53/10/563605310.db2.gz	TXVQARKKWGTYRC-UHFFFAOYSA-N	1	0	306.208	3.550	40	0		DHABRO
CCC[n+]1cc(Br)cc(-c2nc3ccccc3[nH]2)c1	ZINC000226774276	563605418	/nfs/dbraw/zinc/60/54/18/563605418.db2.gz	FJFHXNNXUDDVPM-UHFFFAOYSA-N	1	0	317.210	3.690	40	0		DHABRO
Fc1ccccc1C[N@@H+]1CC[C@H](c2nnc(-c3ccccc3)o2)C1	ZINC000049169315	563700972	/nfs/dbraw/zinc/70/09/72/563700972.db2.gz	SXPQIHHZBJPCJA-INIZCTEOSA-N	1	0	323.371	3.865	40	0	biogenic,in-vitro	DHABRO
COc1ccc(-c2nnc([C@H]3CC[N@H+](CC(C)(C)C)C3)o2)cc1	ZINC000049170136	563701040	/nfs/dbraw/zinc/70/10/40/563701040.db2.gz	WXQKEHSZUAMFHK-AWEZNQCLSA-N	1	0	315.417	3.581	40	0	biogenic,in-vitro	DHABRO
COc1cccc(C=O)c1OCCCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217792952	563714622	/nfs/dbraw/zinc/71/46/22/563714622.db2.gz	RACGSBWQCKZWDM-HZPDHXFCSA-N	1	0	319.445	3.930	40	0		DHABRO
CN(C)c1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1	ZINC000257214189	563790770	/nfs/dbraw/zinc/79/07/70/563790770.db2.gz	CKYNWFZOXLBBJJ-IBGZPJMESA-N	1	0	324.472	3.530	40	0		DHABRO
CCCn1nccc1-c1ccc(C[C@H]2CC[N@@H+](C(C)C)C2)cn1	ZINC000257267051	563792363	/nfs/dbraw/zinc/79/23/63/563792363.db2.gz	MFTGGDYXLHGJHC-QGZVFWFLSA-N	1	0	312.461	3.628	40	0		DHABRO
Cc1ccc(OC[C@H](O)C[N@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1	ZINC000026781123	563795276	/nfs/dbraw/zinc/79/52/76/563795276.db2.gz	OFEQUOJOHSEPLP-IAGOWNOFSA-N	1	0	319.489	3.907	40	0		DHABRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1	ZINC000008295255	563822889	/nfs/dbraw/zinc/82/28/89/563822889.db2.gz	JYAYGACMDBQVJS-BQFCYCMXSA-N	1	0	319.489	3.987	40	0		DHABRO
C[N@H+](C[C@@H](O)CO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1	ZINC000009970723	563823764	/nfs/dbraw/zinc/82/37/64/563823764.db2.gz	JXMIXOSOCIMCNA-ZCDKGFTFSA-N	1	0	323.521	3.843	40	0		DHABRO
Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NC(C)C)[nH+]1	ZINC000328965997	563832680	/nfs/dbraw/zinc/83/26/80/563832680.db2.gz	CIFQSVXAUDVBKV-UHFFFAOYSA-N	1	0	316.836	3.821	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CC2)[nH+]1	ZINC000329058527	563833431	/nfs/dbraw/zinc/83/34/31/563833431.db2.gz	WDPWPBCALHQJFI-CYBMUJFWSA-N	1	0	308.429	3.565	40	0		DHABRO
CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)[nH+]1	ZINC000329025750	563833434	/nfs/dbraw/zinc/83/34/34/563833434.db2.gz	PIOGSKHQXZAQKT-KBPBESRZSA-N	1	0	310.445	3.947	40	0		DHABRO
CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C(C)C)[nH+]1	ZINC000329041320	563833540	/nfs/dbraw/zinc/83/35/40/563833540.db2.gz	SIEJDMFMZCVINM-UHFFFAOYSA-N	1	0	310.445	3.940	40	0		DHABRO
C[C@@H](CN1c2ccccc2Sc2ccccc21)[N@H+](C)CCO	ZINC000005423425	563909797	/nfs/dbraw/zinc/90/97/97/563909797.db2.gz	OVBCYALNGQQYRZ-AWEZNQCLSA-N	1	0	314.454	3.602	40	0		DHABRO
C[C@@H](CC(=O)[C@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1	ZINC000013786274	563928817	/nfs/dbraw/zinc/92/88/17/563928817.db2.gz	YOGMQUBAEAYSMA-RLFYNMQTSA-N	1	0	300.446	3.757	40	0		DHABRO
CC(C)c1cc(N2Cc3ccccc3C[C@H]2C)nc(NC2CC2)[nH+]1	ZINC000328985785	563959817	/nfs/dbraw/zinc/95/98/17/563959817.db2.gz	HVGYQVGKIIAEGQ-CQSZACIVSA-N	1	0	322.456	4.126	40	0		DHABRO
COc1cc(C[NH2+][C@H](C)c2ccccc2)cc(OC)c1OC	ZINC000002390519	568421953	/nfs/dbraw/zinc/42/19/53/568421953.db2.gz	JCIFLHBRVKCNCP-CYBMUJFWSA-N	1	0	301.386	3.563	40	0		DHABRO
[NH3+][C@@H]1CCCc2c(Br)cc(Br)cc21	ZINC000238598020	1025502842	/nfs/dbraw/zinc/50/28/42/1025502842.db2.gz	DLMBQGHXNMPNFN-SNVBAGLBSA-N	1	0	305.013	3.548	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1	ZINC000082336949	185176412	/nfs/dbraw/zinc/17/64/12/185176412.db2.gz	HMBZBDFQLNKIGD-VIFPVBQESA-N	1	0	320.742	3.639	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccccc1F	ZINC000225585132	186280528	/nfs/dbraw/zinc/28/05/28/186280528.db2.gz	VMODGJQYQBVJGB-QGZVFWFLSA-N	1	0	320.452	3.529	40	0		DHABRO
CC1(C)CC(NC(=O)c2scc3c2CCCC3)CC(C)(C)[NH2+]1	ZINC000000140798	180706121	/nfs/dbraw/zinc/70/61/21/180706121.db2.gz	DJSDRXGYOIQOJG-UHFFFAOYSA-N	1	0	320.502	3.666	40	0		DHABRO
CCCCC(CCCC)[NH2+]CCOC(=O)c1ccc(N)cc1	ZINC000001716535	180891148	/nfs/dbraw/zinc/89/11/48/180891148.db2.gz	WZVWBBQEQHQXSP-UHFFFAOYSA-N	1	0	306.450	3.764	40	0		DHABRO
CCCCOc1ccc(C(=O)O[C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000003902196	181054863	/nfs/dbraw/zinc/05/48/63/181054863.db2.gz	RIKXLROQYQSOHV-DAYGRLMNSA-N	1	0	319.445	3.751	40	0		DHABRO
C[NH+]1CCC([C@@H]2COC2(c2ccccc2)c2ccccc2)CC1	ZINC000004600879	181128913	/nfs/dbraw/zinc/12/89/13/181128913.db2.gz	PYYYJPPJCMMYFY-FQEVSTJZSA-N	1	0	307.437	3.918	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1	ZINC000073414521	191313192	/nfs/dbraw/zinc/31/31/92/191313192.db2.gz	OAAQBJMVTCBKBU-FQEVSTJZSA-N	1	0	322.452	3.557	40	0		DHABRO
CC(C)[C@H](COC(=O)c1ccc(N)cc1)[NH2+][C@H]1CCCC[C@H]1C	ZINC000004825133	181157390	/nfs/dbraw/zinc/15/73/90/181157390.db2.gz	XTGSASTYPBHXBJ-JLSDUUJJSA-N	1	0	318.461	3.619	40	0		DHABRO
C[NH+]1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1	ZINC000073414518	191314477	/nfs/dbraw/zinc/31/44/77/191314477.db2.gz	KRUBBHUCMPIMGF-UHFFFAOYSA-N	1	0	322.452	3.557	40	0		DHABRO
Cc1ccc(C)c(C2(C)CC([C@H](O)C[NH+]3CCCCC3)C2)c1	ZINC000005542415	181255428	/nfs/dbraw/zinc/25/54/28/181255428.db2.gz	LGUVWUSWYOZZAT-SKINQDTJSA-N	1	0	301.474	3.818	40	0		DHABRO
CC[C@@](O)(c1cnc(C)n1Cc1ccccc1)c1ccccc1	ZINC000005502324	181250623	/nfs/dbraw/zinc/25/06/23/181250623.db2.gz	FLIYIFLGOGWACE-FQEVSTJZSA-N	1	0	306.409	3.886	40	0		DHABRO
CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000005699193	181274080	/nfs/dbraw/zinc/27/40/80/181274080.db2.gz	NFOFODLZYVUMFC-CTNGQTDRSA-N	1	0	323.436	3.954	40	0		DHABRO
CC(C)c1ccc(OC[C@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000006007748	181305780	/nfs/dbraw/zinc/30/57/80/181305780.db2.gz	SHFCKFJTPRMDBZ-JFIYKMOQSA-N	1	0	305.462	3.528	40	0		DHABRO
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc(Cl)cc1	ZINC000006535416	181351658	/nfs/dbraw/zinc/35/16/58/181351658.db2.gz	YIYUGJLYGWSLLU-GDBMZVCRSA-N	1	0	307.821	3.761	40	0		DHABRO
Cc1ccc(Cn2c3ccccc3nc2C2CC[NH2+]CC2)cc1	ZINC000091356071	193046016	/nfs/dbraw/zinc/04/60/16/193046016.db2.gz	ZAXWVKPOFYWYBO-UHFFFAOYSA-N	1	0	305.425	3.860	40	0		DHABRO
Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1	ZINC000255190277	202909628	/nfs/dbraw/zinc/90/96/28/202909628.db2.gz	WDFCCTDHLGCQLU-QAQDUYKDSA-N	1	0	318.461	3.921	40	0		DHABRO
c1ccc(-c2ncc(-c3ccncc3)c([C@H]3CCC[NH2+]C3)n2)cc1	ZINC000257329680	203053566	/nfs/dbraw/zinc/05/35/66/203053566.db2.gz	XKZQCCSTLPSKMK-KRWDZBQOSA-N	1	0	316.408	3.673	40	0		DHABRO
COc1ccccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010327985	181666471	/nfs/dbraw/zinc/66/64/71/181666471.db2.gz	SDKGYWPIOXCHOD-UHFFFAOYSA-N	1	0	310.397	3.543	40	0		DHABRO
CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1	ZINC000019084635	182104362	/nfs/dbraw/zinc/10/43/62/182104362.db2.gz	DVIRLVJQLUVQKQ-GFCCVEGCSA-N	1	0	321.371	3.635	40	0		DHABRO
Cc1cccc2c3c([nH]c21)CC[N@@H+](C[C@@H](O)c1cccs1)C3	ZINC000019236586	182110663	/nfs/dbraw/zinc/11/06/63/182110663.db2.gz	OYRKXBJTODMRPL-MRXNPFEDSA-N	1	0	312.438	3.630	40	0		DHABRO
c1ccc(Nc2cc(-c3ccncc3)nc([C@H]3CCC[NH2+]3)n2)cc1	ZINC000019373155	182120737	/nfs/dbraw/zinc/12/07/37/182120737.db2.gz	MMBUHEXFLCDWBH-MRXNPFEDSA-N	1	0	317.396	3.707	40	0		DHABRO
C[C@H]1C[C@H](C)C[NH+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1	ZINC000019462612	182124251	/nfs/dbraw/zinc/12/42/51/182124251.db2.gz	DYFNFGPTQJSGTM-ZQIUZPCESA-N	1	0	313.445	3.892	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)CC1	ZINC000020452820	182218855	/nfs/dbraw/zinc/21/88/55/182218855.db2.gz	CEQORBVDFWFPFW-QGZVFWFLSA-N	1	0	314.473	3.791	40	0		DHABRO
C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000038832813	183011460	/nfs/dbraw/zinc/01/14/60/183011460.db2.gz	WRNMXHAPFJPEKZ-FXAWDEMLSA-N	1	0	322.452	3.776	40	0		DHABRO
CC1(C)CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000039760192	183021400	/nfs/dbraw/zinc/02/14/00/183021400.db2.gz	LHBKGRPEOKATIQ-UHFFFAOYSA-N	1	0	314.473	3.547	40	0		DHABRO
Cc1cccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1	ZINC000044140377	183396487	/nfs/dbraw/zinc/39/64/87/183396487.db2.gz	HMTMGBVSHNOJNC-HZPDHXFCSA-N	1	0	319.518	3.649	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1	ZINC000044140358	183396513	/nfs/dbraw/zinc/39/65/13/183396513.db2.gz	WJLUPZYEWQZHKO-HOTGVXAUSA-N	1	0	319.518	3.649	40	0		DHABRO
CCCC[NH+](CCCC)Cc1ccc2[nH]c(=NN)sc2c1	ZINC000057327806	184033513	/nfs/dbraw/zinc/03/35/13/184033513.db2.gz	QWFMUAAVOPQXBU-UHFFFAOYSA-N	1	0	306.479	3.984	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@H]2CCC[C@H]21	ZINC000252515020	257106651	/nfs/dbraw/zinc/10/66/51/257106651.db2.gz	FUJSTKVKXGEKGI-HLNWXESRSA-N	1	0	314.473	3.511	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]2)n1	ZINC000072209140	257128450	/nfs/dbraw/zinc/12/84/50/257128450.db2.gz	WXNMVSLHKUKFJG-GFCCVEGCSA-N	1	0	307.781	3.603	40	0		DHABRO
CC(C)Cn1cnc2c1C1(CC[NH+](C)CC1)Oc1ccccc1-2	ZINC000306143411	528742207	/nfs/dbraw/zinc/74/22/07/528742207.db2.gz	YBTILBCQFKARQA-UHFFFAOYSA-N	1	0	311.429	3.519	40	0		DHABRO
C[N@H+](C[C@@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1	ZINC000001475523	563284177	/nfs/dbraw/zinc/28/41/77/563284177.db2.gz	RIXILAJGJJCOJW-QGZVFWFLSA-N	1	0	319.489	3.988	40	0		DHABRO
CCCc1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1	ZINC000001475480	563284292	/nfs/dbraw/zinc/28/42/92/563284292.db2.gz	YEFQDLJDRNSLNS-SFHVURJKSA-N	1	0	305.462	3.643	40	0		DHABRO
CCCC[C@@H]([NH3+])CCCNc1cc(OC)cc2cccnc21	ZINC000001666879	563289811	/nfs/dbraw/zinc/28/98/11/563289811.db2.gz	SQEGRDNMFLTUEA-OAHLLOKOSA-N	1	0	301.434	3.953	40	0		DHABRO
CCOc1cc(C[NH2+][C@H](C)CC)cc(Br)c1OC	ZINC000008325875	563345690	/nfs/dbraw/zinc/34/56/90/563345690.db2.gz	ULJLAMUPEUJAKX-SNVBAGLBSA-N	1	0	316.239	3.745	40	0		DHABRO
O=C(/C=C/c1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000015139941	563407457	/nfs/dbraw/zinc/40/74/57/563407457.db2.gz	XPUKVOFYNBNCTH-OUKQBFOZSA-N	1	0	320.436	3.612	40	0		DHABRO
COc1ccc(OC)c(/C=C/c2sc3ccccc3[n+]2C)c1	ZINC000017004271	563412970	/nfs/dbraw/zinc/41/29/70/563412970.db2.gz	AJYDVCNKVYLAFH-DHZHZOJOSA-N	1	0	312.414	3.913	40	0		DHABRO
C[C@@H]1C[C@@H](OC[C@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000037530291	563457878	/nfs/dbraw/zinc/45/78/78/563457878.db2.gz	SVDPJYRFEFQLLO-KBAYOESNSA-N	1	0	311.510	3.843	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(F)cc2)C1	ZINC000089212730	563484259	/nfs/dbraw/zinc/48/42/59/563484259.db2.gz	OMPXSJRMAWRCRP-OAHLLOKOSA-N	1	0	322.424	3.562	40	0		DHABRO
COCC[C@@H]1Cn2cccc2C[N@H+](Cc2cccc3[nH]ccc32)C1	ZINC000585095446	563516004	/nfs/dbraw/zinc/51/60/04/563516004.db2.gz	QXFRXHOKQQAYOO-INIZCTEOSA-N	1	0	323.440	3.638	40	0		DHABRO
CCCC[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100007	563516735	/nfs/dbraw/zinc/51/67/35/563516735.db2.gz	CGYBBJOIBKFKNH-FQEVSTJZSA-N	1	0	314.473	3.834	40	0		DHABRO
CC(C)CC[N@@H+]1CCC[C@]2(CCCN2C(=O)c2ccoc2)CC1	ZINC000585100142	563516935	/nfs/dbraw/zinc/51/69/35/563516935.db2.gz	GTVFSBRPRUKMOI-IBGZPJMESA-N	1	0	318.461	3.786	40	0		DHABRO
Cc1ccc(CN2C(=O)C[C@H]3[C@@H]2CC[N@H+]3CCC(C)C)cc1C	ZINC000585108972	563517710	/nfs/dbraw/zinc/51/77/10/563517710.db2.gz	JAAPVDRFPXVOLN-OALUTQOASA-N	1	0	314.473	3.525	40	0		DHABRO
COC[C@H]1COCCC12CC[NH+](Cc1cccc(Cl)c1)CC2	ZINC000096106319	563533622	/nfs/dbraw/zinc/53/36/22/563533622.db2.gz	WYBABUBKWPQQPD-INIZCTEOSA-N	1	0	323.864	3.605	40	0		DHABRO
[NH3+][C@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295488	563536537	/nfs/dbraw/zinc/53/65/37/563536537.db2.gz	DWWDQIVHSPBXFK-LJQANCHMSA-N	1	0	320.392	3.766	40	0		DHABRO
C[N@@H+]1CCC[C@@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1	ZINC000585263457	563536931	/nfs/dbraw/zinc/53/69/31/563536931.db2.gz	ZRZXYORSBPGCBI-MRXNPFEDSA-N	1	0	320.440	3.695	40	0		DHABRO
COC1(COc2cccc(Cl)c2)CC[NH+](C2CCC2)CC1	ZINC000585281746	563541193	/nfs/dbraw/zinc/54/11/93/563541193.db2.gz	QOHPMTCXANOFHD-UHFFFAOYSA-N	1	0	309.837	3.752	40	0		DHABRO
O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]C1CCCCC1	ZINC000585289191	563542744	/nfs/dbraw/zinc/54/27/44/563542744.db2.gz	NQOVALZGGHKWJW-RCCFBDPRSA-N	1	0	323.864	3.923	40	0		DHABRO
Cc1ccc2cc(C[NH2+]Cc3ccccc3F)c(=O)[nH]c2c1C	ZINC000013998953	563549412	/nfs/dbraw/zinc/54/94/12/563549412.db2.gz	PGMQSDMUMYOQFJ-UHFFFAOYSA-N	1	0	310.372	3.574	40	0		DHABRO
c1csc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1	ZINC000107751967	563567162	/nfs/dbraw/zinc/56/71/62/563567162.db2.gz	JHDIDDVJHZMBTB-MSOLQXFVSA-N	1	0	321.486	3.546	40	0		DHABRO
CC(C)Nc1nc(NCc2ccccn2)cc(-c2ccccc2)n1	ZINC000244226761	563604575	/nfs/dbraw/zinc/60/45/75/563604575.db2.gz	WDCFWQXEVCPHLB-UHFFFAOYSA-N	1	0	319.412	3.971	40	0		DHABRO
CC[n+]1cc(Br)cc(-c2nc3cc(C)ccc3[nH]2)c1	ZINC000226774324	563605228	/nfs/dbraw/zinc/60/52/28/563605228.db2.gz	BWRCMPRRUWDIKW-UHFFFAOYSA-N	1	0	317.210	3.608	40	0		DHABRO
C[n+]1cc(Br)cc(-c2nc3ccccc3s2)c1	ZINC000226774251	563605431	/nfs/dbraw/zinc/60/54/31/563605431.db2.gz	SWLPFSQKYDOTBY-UHFFFAOYSA-N	1	0	306.208	3.550	40	0		DHABRO
CC[NH+](CC)Cc1ccc(NC(=O)c2cccc(OC)c2)cc1	ZINC000000568291	563631134	/nfs/dbraw/zinc/63/11/34/563631134.db2.gz	VHQTYBCQGXJYIS-UHFFFAOYSA-N	1	0	312.413	3.789	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000009063332	563644994	/nfs/dbraw/zinc/64/49/94/563644994.db2.gz	RSYPVXFRUCYJMD-UHFFFAOYSA-N	1	0	322.880	3.858	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[N@@H+]1CCCC[C@H]1C	ZINC000217797421	563714889	/nfs/dbraw/zinc/71/48/89/563714889.db2.gz	QSFBZJHQZMACKW-OAHLLOKOSA-N	1	0	305.418	3.541	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1C	ZINC000223144550	563731187	/nfs/dbraw/zinc/73/11/87/563731187.db2.gz	WIEDKVDZICMHSX-QGZVFWFLSA-N	1	0	302.462	3.688	40	0		DHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)C1CCCCC1	ZINC000224677827	563743632	/nfs/dbraw/zinc/74/36/32/563743632.db2.gz	WQFCVELXNVYOBX-UHFFFAOYSA-N	1	0	314.473	3.869	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000225213854	563750193	/nfs/dbraw/zinc/75/01/93/563750193.db2.gz	PXANPXARFXANLY-MRXNPFEDSA-N	1	0	302.462	3.693	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)c(C)c1	ZINC000225720633	563761247	/nfs/dbraw/zinc/76/12/47/563761247.db2.gz	UKICWSOYPQBRQV-SFHVURJKSA-N	1	0	302.462	3.688	40	0		DHABRO
CC[NH+]1CCC2(CC1)CC(=O)c1ccc(C(F)(F)F)cc1O2	ZINC000225822094	563764245	/nfs/dbraw/zinc/76/42/45/563764245.db2.gz	SYLGZUKPMZVTKS-UHFFFAOYSA-N	1	0	313.319	3.525	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1	ZINC000226724081	563770005	/nfs/dbraw/zinc/77/00/05/563770005.db2.gz	JHQZQXQDMVUSSM-IKGGRYGDSA-N	1	0	305.462	3.672	40	0		DHABRO
CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12	ZINC000248084142	563782550	/nfs/dbraw/zinc/78/25/50/563782550.db2.gz	AXBXJEBMMWIAMQ-RTBURBONSA-N	1	0	312.482	3.596	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[NH2+]C[C@H]3C[C@H]21	ZINC000257216911	563790331	/nfs/dbraw/zinc/79/03/31/563790331.db2.gz	CWQIYYLMQPCOIS-HLRQMNNKSA-N	1	0	307.821	3.567	40	0		DHABRO
Cc1cn(C)c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1	ZINC000257254964	563792703	/nfs/dbraw/zinc/79/27/03/563792703.db2.gz	KFMYYLMQUBTONJ-CQSZACIVSA-N	1	0	317.458	3.891	40	0		DHABRO
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1	ZINC000008295256	563823202	/nfs/dbraw/zinc/82/32/02/563823202.db2.gz	JYAYGACMDBQVJS-NUJGCVRESA-N	1	0	319.489	3.987	40	0		DHABRO
[NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000011754345	563835835	/nfs/dbraw/zinc/83/58/35/563835835.db2.gz	DUBZITIVDSZLKP-ZDUSSCGKSA-N	1	0	309.196	3.502	40	0		DHABRO
Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2C)c(C(C)(C)C)c1	ZINC000252445482	563905867	/nfs/dbraw/zinc/90/58/67/563905867.db2.gz	OFEQUOJOHSEPLP-SJORKVTESA-N	1	0	319.489	3.907	40	0		DHABRO
CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000307198996	563912965	/nfs/dbraw/zinc/91/29/65/563912965.db2.gz	YZFBIESGISWLFU-MRXNPFEDSA-N	1	0	318.461	3.812	40	0		DHABRO
Cc1cc(-c2cnn(C)c2)cc(C2CC[NH+](CC(C)C)CC2)n1	ZINC000019691959	563922841	/nfs/dbraw/zinc/92/28/41/563922841.db2.gz	BOFIDKLYWMZOIS-UHFFFAOYSA-N	1	0	312.461	3.626	40	0		DHABRO
C[C@H]1CCCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1	ZINC000036067877	563923205	/nfs/dbraw/zinc/92/32/05/563923205.db2.gz	CKEJEBVIPPRBQU-IRXDYDNUSA-N	1	0	314.473	3.791	40	0		DHABRO
Cc1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc(C)c1OCC(C)C	ZINC000095095428	563930902	/nfs/dbraw/zinc/93/09/02/563930902.db2.gz	LRJQWKGDDKZHSQ-OAHLLOKOSA-N	1	0	315.417	3.813	40	0		DHABRO
COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@@H]2CCOC2)cc1	ZINC000019557593	1022937329	/nfs/dbraw/zinc/93/73/29/1022937329.db2.gz	PKRIDGKYLLMKGD-UYYRZJCPSA-N	1	0	315.457	3.594	40	0		DHABRO
C[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1	ZINC000079438539	185171466	/nfs/dbraw/zinc/17/14/66/185171466.db2.gz	CPRORZXBJYSPNC-GJZGRUSLSA-N	1	0	319.449	3.522	40	0		DHABRO
O=c1[nH]c2ccccc2cc1C1=CC[N@H+](Cc2ccccc2)CC1	ZINC000090646353	185307924	/nfs/dbraw/zinc/30/79/24/185307924.db2.gz	GQHUAFYOFQRHRS-UHFFFAOYSA-N	1	0	316.404	3.817	40	0		DHABRO
c1csc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1	ZINC000092788603	185341546	/nfs/dbraw/zinc/34/15/46/185341546.db2.gz	UYYYEWGRXNOJRQ-OAHLLOKOSA-N	1	0	324.453	3.913	40	0		DHABRO
CCc1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379135	191141269	/nfs/dbraw/zinc/14/12/69/191141269.db2.gz	LCAFLKJYMQACOZ-INIZCTEOSA-N	1	0	324.472	3.952	40	0		DHABRO
c1cn(-c2cccc(C3CC[NH+](C4CCCCC4)CC3)n2)cn1	ZINC000072379147	191141500	/nfs/dbraw/zinc/14/15/00/191141500.db2.gz	QPKYQWYCNPDDNP-UHFFFAOYSA-N	1	0	310.445	3.779	40	0		DHABRO
CC(C)c1[nH]c2ncccc2c1C[N@H+](C)CCc1ccccn1	ZINC000072393722	191149627	/nfs/dbraw/zinc/14/96/27/191149627.db2.gz	DUEYORLYTJYQMP-UHFFFAOYSA-N	1	0	308.429	3.756	40	0		DHABRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000003864487	181050796	/nfs/dbraw/zinc/05/07/96/181050796.db2.gz	GOJANQILHWLMMS-HCXYKTFWSA-N	1	0	311.510	3.557	40	0		DHABRO
CCOC(=O)[C@H]1C[NH2+][C@H](c2ccccc2)C[C@@H]1c1ccccc1	ZINC000003845405	181048514	/nfs/dbraw/zinc/04/85/14/181048514.db2.gz	VRGSYPCBWQRFQZ-QYZOEREBSA-N	1	0	309.409	3.684	40	0		DHABRO
Cc1c(C)n(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2C)c2ccccc12	ZINC000004177784	181082442	/nfs/dbraw/zinc/08/24/42/181082442.db2.gz	GDDCYANZONIPGV-FNHZYXHNSA-N	1	0	314.473	3.787	40	0		DHABRO
CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@H](C)[N@H+](C)C[C@@H]1C	ZINC000004474249	181111499	/nfs/dbraw/zinc/11/14/99/181111499.db2.gz	KOYICGYXDCTHSW-TWOQFEAHSA-N	1	0	317.473	3.844	40	0		DHABRO
C[C@H](CN1c2ccccc2CCc2cc(O)ccc21)C[NH+](C)C	ZINC000005141710	181208794	/nfs/dbraw/zinc/20/87/94/181208794.db2.gz	FQJSSUOYVSEYPF-HNNXBMFYSA-N	1	0	310.441	3.827	40	0	in-vitro	DHABRO
CCC1([NH2+][C@H](Cc2ccccc2)c2ccccc2)COCOC1	ZINC000005964886	181301280	/nfs/dbraw/zinc/30/12/80/181301280.db2.gz	IGYJSMIDQHNODT-LJQANCHMSA-N	1	0	311.425	3.713	40	0		DHABRO
C[C@@H]1CCC[N@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1	ZINC000006007639	181305829	/nfs/dbraw/zinc/30/58/29/181305829.db2.gz	OHQWOUQOOHHSLW-RZZCCWGQSA-N	1	0	311.510	3.701	40	0		DHABRO
CC(C)Cc1ncc(-c2nccnc2[C@H]2CCC[N@H+](C)C2)s1	ZINC000257321567	203044533	/nfs/dbraw/zinc/04/45/33/203044533.db2.gz	WCEVAGSOBRGBTH-ZDUSSCGKSA-N	1	0	316.474	3.608	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccncc2)C1	ZINC000012222022	181741407	/nfs/dbraw/zinc/74/14/07/181741407.db2.gz	OSQQIODKZFQJED-CQSZACIVSA-N	1	0	306.413	3.857	40	0		DHABRO
O=c1[nH]c2ccccc2cc1C[NH2+]CCc1ccc(Cl)cc1	ZINC000013998862	181918839	/nfs/dbraw/zinc/91/88/39/181918839.db2.gz	WFDJHAGBUSHYKF-UHFFFAOYSA-N	1	0	312.800	3.514	40	0		DHABRO
Cc1ncc(C[NH2+][C@@H]2[C@@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)cn1	ZINC000019287294	182112924	/nfs/dbraw/zinc/11/29/24/182112924.db2.gz	GPJVPSKSFOPVDH-FYQPLNBISA-N	1	0	307.441	3.847	40	0		DHABRO
CSc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000019359456	182118504	/nfs/dbraw/zinc/11/85/04/182118504.db2.gz	LUWOIMACUYDCNE-SCTDSRPQSA-N	1	0	316.514	3.715	40	0		DHABRO
c1ccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCC[NH2+]3)n2)cc1	ZINC000019373157	182120718	/nfs/dbraw/zinc/12/07/18/182120718.db2.gz	MMBUHEXFLCDWBH-INIZCTEOSA-N	1	0	317.396	3.707	40	0		DHABRO
CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c1C	ZINC000019523950	182128251	/nfs/dbraw/zinc/12/82/51/182128251.db2.gz	KUBBHBNYGDAYCB-MRXNPFEDSA-N	1	0	302.422	3.625	40	0		DHABRO
C=Cn1cc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1	ZINC000019584208	182131785	/nfs/dbraw/zinc/13/17/85/182131785.db2.gz	MMZDMBHLBLOTBX-INIZCTEOSA-N	1	0	321.428	3.548	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1	ZINC000019462609	182124338	/nfs/dbraw/zinc/12/43/38/182124338.db2.gz	DYFNFGPTQJSGTM-CPUCHLNUSA-N	1	0	313.445	3.892	40	0		DHABRO
C1C[C@H]2C[C@@H]1[C@@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)C2	ZINC000019771305	182145035	/nfs/dbraw/zinc/14/50/35/182145035.db2.gz	DGBCPCJXUAXBRF-SOCZNNFPSA-N	1	0	314.517	3.617	40	0		DHABRO
Clc1ccccc1CN1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1	ZINC000019788319	182148584	/nfs/dbraw/zinc/14/85/84/182148584.db2.gz	XLOBFAUBASFTED-RYRKJORJSA-N	1	0	316.876	3.670	40	0		DHABRO
C[n+]1c2ccccc2sc1SCC(=O)c1ccccc1	ZINC000020293485	182203426	/nfs/dbraw/zinc/20/34/26/182203426.db2.gz	VMZSSWDVNBOYGA-UHFFFAOYSA-N	1	0	300.428	3.701	40	0		DHABRO
CN(C)CC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000022075792	182307493	/nfs/dbraw/zinc/30/74/93/182307493.db2.gz	AGQAFFLOCMSROJ-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
COc1ccc(CC[NH2+]Cc2cc(Cl)ccc2OC)cc1	ZINC000022076432	182308562	/nfs/dbraw/zinc/30/85/62/182308562.db2.gz	VDRMTXQTYKEALR-UHFFFAOYSA-N	1	0	305.805	3.690	40	0		DHABRO
COc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000038834167	183010869	/nfs/dbraw/zinc/01/08/69/183010869.db2.gz	NTZRXOHLFICHDD-QGZVFWFLSA-N	1	0	324.424	3.546	40	0		DHABRO
Cc1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1	ZINC000039745461	183021931	/nfs/dbraw/zinc/02/19/31/183021931.db2.gz	YNBHWJMKHBLZQY-UHFFFAOYSA-N	1	0	314.473	3.610	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c(C)c1	ZINC000044080834	183394375	/nfs/dbraw/zinc/39/43/75/183394375.db2.gz	MCNWUHGQHKHTNS-OAHLLOKOSA-N	1	0	319.518	3.712	40	0		DHABRO
COc1cc2cccnc2c(NCC[NH+](C(C)C)C(C)C)c1	ZINC000001656133	256514347	/nfs/dbraw/zinc/51/43/47/256514347.db2.gz	PQXGZUIQOIHIFO-UHFFFAOYSA-N	1	0	301.434	3.774	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1	ZINC000072214720	257126448	/nfs/dbraw/zinc/12/64/48/257126448.db2.gz	JRUCYEWMXXAJRB-AWEZNQCLSA-N	1	0	305.422	3.658	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1	ZINC000072214843	257126684	/nfs/dbraw/zinc/12/66/84/257126684.db2.gz	NRMYGDNKUBBUIN-HNNXBMFYSA-N	1	0	319.449	3.998	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]2)n1	ZINC000072209132	257128048	/nfs/dbraw/zinc/12/80/48/257128048.db2.gz	GTSBJHPAHFFQHP-LBPRGKRZSA-N	1	0	307.781	3.602	40	0		DHABRO
Cc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CC2)[nH+]1	ZINC000328962106	257231039	/nfs/dbraw/zinc/23/10/39/257231039.db2.gz	BHNQGLRDKGSYIY-UHFFFAOYSA-N	1	0	308.429	3.701	40	0		DHABRO
C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@H](c1ccccc1)O2	ZINC000001577615	257231344	/nfs/dbraw/zinc/23/13/44/257231344.db2.gz	VDZYAJURYXVGDG-KDURUIRLSA-N	1	0	309.409	3.938	40	0		DHABRO
C[C@H](NC(=O)C(C)(C)[NH3+])c1ccc(Oc2ccccc2)c(F)c1	ZINC000237541870	524896097	/nfs/dbraw/zinc/89/60/97/524896097.db2.gz	FNERALZSGWWYDO-LBPRGKRZSA-N	1	0	316.376	3.533	40	0		DHABRO
CC[n+]1cc(Br)cc(-c2nc3ccccc3o2)c1	ZINC000226774737	563605366	/nfs/dbraw/zinc/60/53/66/563605366.db2.gz	AFVNJICVUWEBQC-UHFFFAOYSA-N	1	0	304.167	3.565	40	0		DHABRO
CC(C)(C)Nc1nc(NCc2cccs2)cc(C2CC2)[nH+]1	ZINC000329036534	563959566	/nfs/dbraw/zinc/95/95/66/563959566.db2.gz	RJVJMUZRUXDBMT-UHFFFAOYSA-N	1	0	302.447	4.238	40	0		DHABRO
C[NH+](C)[C@@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21	ZINC000001662432	563289949	/nfs/dbraw/zinc/28/99/49/563289949.db2.gz	NQIVGJNQMGRQER-OAHLLOKOSA-N	1	0	320.314	3.819	40	0		DHABRO
CC[N@H+](C[C@@H](O)COc1ccccc1Cl)C1CCCCC1	ZINC000006325626	563332181	/nfs/dbraw/zinc/33/21/81/563332181.db2.gz	GOAMOCOXJKKHLJ-OAHLLOKOSA-N	1	0	311.853	3.734	40	0		DHABRO
CCCC[NH2+]Cc1cc(Br)c(OCC)c(OC)c1	ZINC000007261622	563337225	/nfs/dbraw/zinc/33/72/25/563337225.db2.gz	DUAZNTLIJMIIFA-UHFFFAOYSA-N	1	0	316.239	3.746	40	0		DHABRO
CCOCCC[NH2+]Cc1cc(Cl)c(OCC)c(OCC)c1	ZINC000008253140	563345279	/nfs/dbraw/zinc/34/52/79/563345279.db2.gz	KCITWYTUSDFGHW-UHFFFAOYSA-N	1	0	315.841	3.654	40	0		DHABRO
CCOc1cc(C[NH2+]CC(C)C)cc(Br)c1OC	ZINC000008253587	563345387	/nfs/dbraw/zinc/34/53/87/563345387.db2.gz	GXQUFCXMVVJDRO-UHFFFAOYSA-N	1	0	316.239	3.602	40	0		DHABRO
c1cncc(-c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@@H]43)n2)c1	ZINC000012670935	563372367	/nfs/dbraw/zinc/37/23/67/563372367.db2.gz	QOPIFIMHBKCQAS-YJBOKZPZSA-N	1	0	308.429	3.693	40	0		DHABRO
O=C(Oc1ccccc1/C=C\[n+]1ccccc1)c1ccccc1	ZINC000017377831	563414828	/nfs/dbraw/zinc/41/48/28/563414828.db2.gz	MDCQOXGDISLNOT-SSZFMOIBSA-N	1	0	302.353	3.821	40	0		DHABRO
c1coc(C[N@H+]2Cc3cccn3C[C@@H](CCOCC3CC3)C2)c1	ZINC000585095039	563515823	/nfs/dbraw/zinc/51/58/23/563515823.db2.gz	AUZUDCFPFMRGPG-KRWDZBQOSA-N	1	0	314.429	3.530	40	0		DHABRO
CC[C@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1	ZINC000585109337	563517564	/nfs/dbraw/zinc/51/75/64/563517564.db2.gz	KILBOWZHDDSQGH-XDKFSHSGSA-N	1	0	314.473	3.718	40	0		DHABRO
Cc1ccc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)o1	ZINC000096047777	563532777	/nfs/dbraw/zinc/53/27/77/563532777.db2.gz	DHBSYDMVSYDHAA-QGZVFWFLSA-N	1	0	312.413	3.522	40	0		DHABRO
c1ccc2c(c1)[C@@H](c1cncnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096079262	563533031	/nfs/dbraw/zinc/53/30/31/563533031.db2.gz	QRCBRHDAQQSDGK-LJQANCHMSA-N	1	0	319.452	3.756	40	0		DHABRO
COC[C@H]1COCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2	ZINC000096106321	563533303	/nfs/dbraw/zinc/53/33/03/563533303.db2.gz	CSYHOMQYTMJBJX-INIZCTEOSA-N	1	0	323.864	3.605	40	0		DHABRO
c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)cs1	ZINC000096216636	563535531	/nfs/dbraw/zinc/53/55/31/563535531.db2.gz	YSMUSOLMXQKXMV-SFHVURJKSA-N	1	0	313.470	3.636	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CC[NH2+]C[C@@H]3C[C@H]21	ZINC000585263547	563537150	/nfs/dbraw/zinc/53/71/50/563537150.db2.gz	CWQIYYLMQPCOIS-YDEYXMKJSA-N	1	0	307.821	3.567	40	0		DHABRO
CC(C)CC[NH2+][C@H]1CCC[C@@H](Oc2cccc(Cl)c2)[C@@H]1O	ZINC000585290130	563542781	/nfs/dbraw/zinc/54/27/81/563542781.db2.gz	SRKBIKKJNZCWSX-GVDBMIGSSA-N	1	0	311.853	3.637	40	0		DHABRO
O[C@H]1[C@H](Oc2ccc(Cl)cc2)CCC[C@@H]1[NH2+]C1CCCC1	ZINC000585290069	563542864	/nfs/dbraw/zinc/54/28/64/563542864.db2.gz	ZLXIHWSUPGGBHB-GVDBMIGSSA-N	1	0	309.837	3.533	40	0		DHABRO
Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2NC[C@H]1CCCO1	ZINC000000417357	563607983	/nfs/dbraw/zinc/60/79/83/563607983.db2.gz	PCXNXHUYQZIPQR-MRXNPFEDSA-N	1	0	323.396	3.606	40	0		DHABRO
COCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000008469180	563643729	/nfs/dbraw/zinc/64/37/29/563643729.db2.gz	ZTFDZQWDHZANPA-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(Cc4ccccc4)o3)C2)o1	ZINC000049169843	563700945	/nfs/dbraw/zinc/70/09/45/563700945.db2.gz	ASPSDRNHUZYGTR-INIZCTEOSA-N	1	0	323.396	3.551	40	0	biogenic,in-vitro	DHABRO
Fc1ccccc1-c1nnc([C@H]2CC[N@H+](Cc3ccccc3)C2)o1	ZINC000049170515	563700976	/nfs/dbraw/zinc/70/09/76/563700976.db2.gz	UTXKFSVEIGOLMF-HNNXBMFYSA-N	1	0	323.371	3.865	40	0	biogenic,in-vitro	DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(F)cc1	ZINC000223359338	563733509	/nfs/dbraw/zinc/73/35/09/563733509.db2.gz	DVLMDBVDPOCVMH-GOSISDBHSA-N	1	0	320.452	3.529	40	0		DHABRO
O=C(NCC1=CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000224095427	563739180	/nfs/dbraw/zinc/73/91/80/563739180.db2.gz	FUAZWDPTHWGUFM-UHFFFAOYSA-N	1	0	312.457	3.903	40	0		DHABRO
CC[NH+]1CCC2(CC1)CC(=O)c1cccc(C(F)(F)F)c1O2	ZINC000225827154	563764338	/nfs/dbraw/zinc/76/43/38/563764338.db2.gz	JYSHXRVSPPKSSH-UHFFFAOYSA-N	1	0	313.319	3.525	40	0		DHABRO
c1nc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)cs1	ZINC000257230642	563791322	/nfs/dbraw/zinc/79/13/22/563791322.db2.gz	GDFFGVJSXXLOLE-AWEZNQCLSA-N	1	0	309.438	3.756	40	0		DHABRO
Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1	ZINC000257251186	563792162	/nfs/dbraw/zinc/79/21/62/563792162.db2.gz	JPTKDIXDLAULGG-INIZCTEOSA-N	1	0	308.429	3.589	40	0		DHABRO
C[NH+](C)CCOc1cc2c(c3ccccc13)-c1ccccc1C2=O	ZINC000000001001	563846039	/nfs/dbraw/zinc/84/60/39/563846039.db2.gz	IALAUUKEGMAATC-UHFFFAOYSA-N	1	0	317.388	3.992	40	0		DHABRO
C[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccc(Br)cc2)C[C@H](C)O1	ZINC000575421950	563857051	/nfs/dbraw/zinc/85/70/51/563857051.db2.gz	DDYRRJSHTGELEI-LMWOUKEDSA-N	1	0	324.262	3.662	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2	ZINC000101164087	563890880	/nfs/dbraw/zinc/89/08/80/563890880.db2.gz	MNJNPLVXBISNSX-BTTYYORXSA-N	1	0	314.212	3.775	40	0	in-man	DHABRO
Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CC[N@@H+](Cc1ccccc1)C2	ZINC000225487870	563928605	/nfs/dbraw/zinc/92/86/05/563928605.db2.gz	TYIPPDUNQRDOQU-SFHVURJKSA-N	1	0	322.408	3.726	40	0	biogenic,in-vitro	DHABRO
CC(C)(C)Nc1nc(NCc2cccc(F)c2)cc(C2CC2)[nH+]1	ZINC000329004280	563959580	/nfs/dbraw/zinc/95/95/80/563959580.db2.gz	KQTULQQZANEAEH-UHFFFAOYSA-N	1	0	314.408	4.316	40	0		DHABRO
CC(C)(C)OC(=O)[C@H](N)CCCCCCCCCCC[NH3+]	ZINC000115824210	1022977951	/nfs/dbraw/zinc/97/79/51/1022977951.db2.gz	GJHDZMCLHCJVDO-OAHLLOKOSA-N	1	0	300.487	3.515	40	0		DHABRO
Cc1nnc(C(C)(F)F)n1C1CC[NH+](Cc2ccccc2)CC1	ZINC000201220929	1023838364	/nfs/dbraw/zinc/83/83/64/1023838364.db2.gz	UGLVVSCIHXKFBN-UHFFFAOYSA-N	1	0	320.387	3.535	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C)c1	ZINC000225579935	186279978	/nfs/dbraw/zinc/27/99/78/186279978.db2.gz	LWLLGEMVIBXQJX-QGZVFWFLSA-N	1	0	319.518	3.936	40	0		DHABRO
Fc1cccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)c1	ZINC000072355497	191128687	/nfs/dbraw/zinc/12/86/87/191128687.db2.gz	BZYKBGZWFIIRAX-SFHVURJKSA-N	1	0	322.387	3.744	40	0		DHABRO
c1cn(-c2cccc([C@@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cn1	ZINC000072378709	191140347	/nfs/dbraw/zinc/14/03/47/191140347.db2.gz	QLLSBISZAZPDDY-MRXNPFEDSA-N	1	0	310.445	3.779	40	0		DHABRO
CCCC(CCC)[NH2+][C@H](CC)COC(=O)c1ccc(N)cc1	ZINC000001709187	180890287	/nfs/dbraw/zinc/89/02/87/180890287.db2.gz	MIEWEAHHHRHDAF-MRXNPFEDSA-N	1	0	306.450	3.763	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1	ZINC000004183206	181082234	/nfs/dbraw/zinc/08/22/34/181082234.db2.gz	SLJQCXKWMCDIOX-AVEIZBFRSA-N	1	0	311.510	3.557	40	0		DHABRO
COc1cc(C[NH2+][C@@H](C)c2ccccc2)cc(OC)c1OC	ZINC000004269835	181090133	/nfs/dbraw/zinc/09/01/33/181090133.db2.gz	JCIFLHBRVKCNCP-ZDUSSCGKSA-N	1	0	301.386	3.563	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)/C=C/c1ccccc1)C2	ZINC000004887115	181167825	/nfs/dbraw/zinc/16/78/25/181167825.db2.gz	FSKCEIFLUVCKHY-MVGRMIATSA-N	1	0	312.457	3.612	40	0		DHABRO
Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1cccc2ccccc21	ZINC000073642318	191334726	/nfs/dbraw/zinc/33/47/26/191334726.db2.gz	XSSVORRZQONALA-UHFFFAOYSA-N	1	0	315.376	3.501	40	0		DHABRO
C[C@H]1C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2C(=O)O1	ZINC000005377047	181236315	/nfs/dbraw/zinc/23/63/15/181236315.db2.gz	YYCUVDFUUFENHV-HNNXBMFYSA-N	1	0	316.380	3.867	40	0		DHABRO
C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc2ccccc2c1	ZINC000005528054	181253630	/nfs/dbraw/zinc/25/36/30/181253630.db2.gz	NXCMPCZBKQUWRK-FCEWJHQRSA-N	1	0	313.441	3.842	40	0		DHABRO
C[C@@H](Cc1cccc2c1Nc1ccccc1S2)[N@H+](C)CCO	ZINC000005550640	181256011	/nfs/dbraw/zinc/25/60/11/181256011.db2.gz	YVMXOTFHWXEJKP-ZDUSSCGKSA-N	1	0	314.454	3.750	40	0		DHABRO
Clc1ccc2nc(-c3cccc(Br)c3)cc[n+]2c1	ZINC000005891526	181293558	/nfs/dbraw/zinc/29/35/58/181293558.db2.gz	BHFHTHBDQCFAAI-UHFFFAOYSA-N	1	0	320.597	3.903	40	0		DHABRO
CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cccnc2)n1	ZINC000257286940	203013953	/nfs/dbraw/zinc/01/39/53/203013953.db2.gz	PNSPYMUGHLRQGI-LJQANCHMSA-N	1	0	324.472	3.530	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCC[NH2+][C@@H]3C[C@H]21	ZINC000257324470	203049761	/nfs/dbraw/zinc/04/97/61/203049761.db2.gz	WOULBJNZQBOPOU-XOUADPBQSA-N	1	0	307.821	3.709	40	0		DHABRO
CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)NCc1cccs1	ZINC000096252232	193601871	/nfs/dbraw/zinc/60/18/71/193601871.db2.gz	UGTWYEUDIJLKRS-FKEKPDDDSA-N	1	0	320.502	3.511	40	0		DHABRO
C[C@H]1CCCC[C@H]1[NH+]1CCN(CCCc2ccccc2)CC1	ZINC000019367631	182119987	/nfs/dbraw/zinc/11/99/87/182119987.db2.gz	ZZAVOYQAGLDQDC-AZUAARDMSA-N	1	0	300.490	3.816	40	0		DHABRO
CCC[NH2+]Cc1cc2c(C)nn(-c3ccccc3)c2nc1Cl	ZINC000019503743	182126670	/nfs/dbraw/zinc/12/66/70/182126670.db2.gz	BITLXOXJXBSZLV-UHFFFAOYSA-N	1	0	314.820	3.882	40	0		DHABRO
CCCCc1ncc(C[NH2+][C@H](C)c2ccc(OC)c(F)c2)cn1	ZINC000019502377	182126690	/nfs/dbraw/zinc/12/66/90/182126690.db2.gz	GJQDHAFXNLKQPA-CYBMUJFWSA-N	1	0	317.408	3.818	40	0		DHABRO
Cc1oc2ccccc2c1CN(CC[NH+](C)C)Cc1ccncc1	ZINC000019581940	182131967	/nfs/dbraw/zinc/13/19/67/182131967.db2.gz	VMUHEUSQVQVCOZ-UHFFFAOYSA-N	1	0	323.440	3.700	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3cccnc3[nH]c2[C@@H]2CCCO2)C1	ZINC000019462610	182124566	/nfs/dbraw/zinc/12/45/66/182124566.db2.gz	DYFNFGPTQJSGTM-VBQJREDUSA-N	1	0	313.445	3.892	40	0		DHABRO
C=Cn1cc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1	ZINC000019584205	182132183	/nfs/dbraw/zinc/13/21/83/182132183.db2.gz	MMZDMBHLBLOTBX-MRXNPFEDSA-N	1	0	321.428	3.548	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1ccccc1Cl	ZINC000019582607	182132350	/nfs/dbraw/zinc/13/23/50/182132350.db2.gz	UUHFHQKGEUSRPO-UHFFFAOYSA-N	1	0	308.878	3.965	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1	ZINC000020038905	182183220	/nfs/dbraw/zinc/18/32/20/182183220.db2.gz	GADMJEFQKGIUAB-MRXNPFEDSA-N	1	0	314.473	3.933	40	0		DHABRO
CCOc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@@H]1CC	ZINC000020131589	182190717	/nfs/dbraw/zinc/19/07/17/182190717.db2.gz	GXQFIRFONQVAOR-INIZCTEOSA-N	1	0	305.418	3.541	40	0		DHABRO
[NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1	ZINC000039789204	183021753	/nfs/dbraw/zinc/02/17/53/183021753.db2.gz	HOPXZCVDKWEDPB-FQEVSTJZSA-N	1	0	310.441	3.751	40	0		DHABRO
Clc1ccc(CN(Cc2ccc(Cl)nc2)C2CC2)cn1	ZINC000044029836	183392718	/nfs/dbraw/zinc/39/27/18/183392718.db2.gz	ZOCQQJSWOJQFRN-UHFFFAOYSA-N	1	0	308.212	3.948	40	0		DHABRO
C[N@H+](Cc1c[nH]nc1C(C)(C)C)Cc1cccc2ncccc12	ZINC000057811533	184055348	/nfs/dbraw/zinc/05/53/48/184055348.db2.gz	CRZPDLNSULKVKK-UHFFFAOYSA-N	1	0	308.429	3.887	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1	ZINC000072214663	257125815	/nfs/dbraw/zinc/12/58/15/257125815.db2.gz	KKONAWZIRIQULN-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214455	257126267	/nfs/dbraw/zinc/12/62/67/257126267.db2.gz	QTUOZMJFDSLMRC-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1	ZINC000072214844	257126308	/nfs/dbraw/zinc/12/63/08/257126308.db2.gz	NRMYGDNKUBBUIN-OAHLLOKOSA-N	1	0	319.449	3.998	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214317	257126470	/nfs/dbraw/zinc/12/64/70/257126470.db2.gz	NCJXSRCIXZWBJY-CQSZACIVSA-N	1	0	305.422	3.974	40	0		DHABRO
C[NH2+][C@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072207675	257128386	/nfs/dbraw/zinc/12/83/86/257128386.db2.gz	LPJBZPQJQRTGFC-JKSUJKDBSA-N	1	0	304.434	3.737	40	0		DHABRO
C[NH2+][C@@H](c1ccccc1)[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072207676	257128433	/nfs/dbraw/zinc/12/84/33/257128433.db2.gz	LPJBZPQJQRTGFC-CVEARBPZSA-N	1	0	304.434	3.737	40	0		DHABRO
CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039755704	257217511	/nfs/dbraw/zinc/21/75/11/257217511.db2.gz	MVWWNSSSUAUWLH-CQSZACIVSA-N	1	0	322.880	3.857	40	0		DHABRO
CC(C)c1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1	ZINC000001475495	563284114	/nfs/dbraw/zinc/28/41/14/563284114.db2.gz	WYGPQADPOSNBCU-GOSISDBHSA-N	1	0	305.462	3.814	40	0		DHABRO
CC(C)[N@H+](C)CCOC(=O)[C@H](c1ccccc1)C1CCCC1	ZINC000001641391	563288862	/nfs/dbraw/zinc/28/88/62/563288862.db2.gz	RGWSLNIQOSVCQW-GOSISDBHSA-N	1	0	303.446	3.844	40	0		DHABRO
C[C@H](Cc1cccc2c1Nc1ccccc1S2)[N@H+](C)CCO	ZINC000001636907	563288879	/nfs/dbraw/zinc/28/88/79/563288879.db2.gz	YVMXOTFHWXEJKP-CYBMUJFWSA-N	1	0	314.454	3.750	40	0		DHABRO
O=C(OCC[NH+]1CCCC1)[C@@H](c1ccccc1)[C@H]1C=CCCC1	ZINC000001712583	563293234	/nfs/dbraw/zinc/29/32/34/563293234.db2.gz	WBSQBCKCXJYLSQ-OALUTQOASA-N	1	0	313.441	3.766	40	0		DHABRO
C[NH+](C)C[C@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001734032	563294586	/nfs/dbraw/zinc/29/45/86/563294586.db2.gz	JGWXFZSRRMKVOL-SFHVURJKSA-N	1	0	309.409	3.710	40	0		DHABRO
CC(C)CC(CC(C)C)[NH2+][C@@H](C)COC(=O)c1ccc(N)cc1	ZINC000001842476	563296163	/nfs/dbraw/zinc/29/61/63/563296163.db2.gz	UXJPPXNITUCBKJ-HNNXBMFYSA-N	1	0	320.477	3.865	40	0		DHABRO
CCC[NH2+]CCC[C@@H](C)Nc1cc(OC)cc2cccnc21	ZINC000001873649	563297157	/nfs/dbraw/zinc/29/71/57/563297157.db2.gz	OBQPWUVTUAUJNI-CQSZACIVSA-N	1	0	301.434	3.824	40	0		DHABRO
CC(C)(C)c1ccc(CCC(=O)NCCC[NH+]2CCCC2)cc1	ZINC000013669346	563384735	/nfs/dbraw/zinc/38/47/35/563384735.db2.gz	CJXATSHBLGBNQX-UHFFFAOYSA-N	1	0	316.489	3.519	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1	ZINC000036655889	563457320	/nfs/dbraw/zinc/45/73/20/563457320.db2.gz	HDWDFQCOCPBEAT-NUJGCVRESA-N	1	0	319.489	3.702	40	0		DHABRO
CN(C(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1	ZINC000044940385	563464413	/nfs/dbraw/zinc/46/44/13/563464413.db2.gz	AHVZFEMBAJRQBL-UHFFFAOYSA-N	1	0	300.446	3.687	40	0		DHABRO
C[C@@H]1C[C@@H](OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000012169852	563479639	/nfs/dbraw/zinc/47/96/39/563479639.db2.gz	SVDPJYRFEFQLLO-BPQIPLTHSA-N	1	0	311.510	3.843	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	ZINC000247884847	563480180	/nfs/dbraw/zinc/48/01/80/563480180.db2.gz	SLJQCXKWMCDIOX-DFBDCSAJSA-N	1	0	311.510	3.557	40	0		DHABRO
CC(C)C[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100250	563516623	/nfs/dbraw/zinc/51/66/23/563516623.db2.gz	IWIAODLQJSTYHU-HXUWFJFHSA-N	1	0	314.473	3.690	40	0		DHABRO
CC[C@@H](C)[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1	ZINC000585109338	563517516	/nfs/dbraw/zinc/51/75/16/563517516.db2.gz	KILBOWZHDDSQGH-XFKAJCMBSA-N	1	0	314.473	3.718	40	0		DHABRO
Fc1cccc([C@@H]2CN(Cc3ccccc3)[C@@H]3CCCC[NH2+][C@@H]23)c1	ZINC000095951726	563531272	/nfs/dbraw/zinc/53/12/72/563531272.db2.gz	IWRWODFGAFPPPV-HBMCJLEFSA-N	1	0	324.443	3.936	40	0		DHABRO
c1cc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)cs1	ZINC000096047773	563532633	/nfs/dbraw/zinc/53/26/33/563532633.db2.gz	PAPVCEXCIDQGMB-KRWDZBQOSA-N	1	0	314.454	3.682	40	0		DHABRO
Cc1ccc(OCC2(O)CC[NH+](C3CCCCC3)CC2)cc1	ZINC000585281488	563541112	/nfs/dbraw/zinc/54/11/12/563541112.db2.gz	JXJYRRSOFJRITL-UHFFFAOYSA-N	1	0	303.446	3.533	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)C2	ZINC000100373652	563550140	/nfs/dbraw/zinc/55/01/40/563550140.db2.gz	MNJNPLVXBISNSX-WDNDVIMCSA-N	1	0	314.212	3.775	40	0	in-man	DHABRO
C[C@H]1C[C@@H](OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC(C)(C)C1	ZINC000006996368	563624920	/nfs/dbraw/zinc/62/49/20/563624920.db2.gz	FWSHCMODWGVIGW-KFGODFMUSA-N	1	0	311.510	3.842	40	0		DHABRO
COc1ccc(Br)cc1C[NH2+]Cc1ccccc1	ZINC000008493027	563642872	/nfs/dbraw/zinc/64/28/72/563642872.db2.gz	MPLUOBNJGUCPEA-UHFFFAOYSA-N	1	0	306.203	3.748	40	0		DHABRO
COc1cccc(C[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)c1	ZINC000049169062	563700943	/nfs/dbraw/zinc/70/09/43/563700943.db2.gz	XHBOHZSQUGXLGX-HNNXBMFYSA-N	1	0	307.397	3.561	40	0	biogenic,in-vitro	DHABRO
Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccco4)o3)C2)cc1	ZINC000049169526	563701225	/nfs/dbraw/zinc/70/12/25/563701225.db2.gz	SBXFDCSFEPOQGA-HNNXBMFYSA-N	1	0	309.369	3.628	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1O[C@H](C)CC	ZINC000225158272	563749857	/nfs/dbraw/zinc/74/98/57/563749857.db2.gz	XZPVYASBZRPMPA-GDBMZVCRSA-N	1	0	307.434	3.531	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(Cl)c1	ZINC000225867237	563765486	/nfs/dbraw/zinc/76/54/86/563765486.db2.gz	AQEFLXQKDVGABB-QGZVFWFLSA-N	1	0	322.880	3.653	40	0		DHABRO
Cc1cc([C@@H]2c3ccccc3CCC[N@@H+]2[C@H]2CCOC2)ccn1	ZINC000248104088	563782969	/nfs/dbraw/zinc/78/29/69/563782969.db2.gz	OPOOVEDFDNTLAZ-AZUAARDMSA-N	1	0	308.425	3.517	40	0		DHABRO
C[NH+]1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1	ZINC000257205483	563789673	/nfs/dbraw/zinc/78/96/73/563789673.db2.gz	AZGYBNSHACJNIG-UHFFFAOYSA-N	1	0	321.346	3.972	40	0		DHABRO
CCCn1nccc1-c1cccc([C@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000257200874	563789729	/nfs/dbraw/zinc/78/97/29/563789729.db2.gz	AFEVSIWSGCWKTQ-INIZCTEOSA-N	1	0	312.461	3.943	40	0		DHABRO
CNc1cccc(CC[C@H]2CCCCN2C(=O)c2ccccc2)n1	ZINC000257223199	563790790	/nfs/dbraw/zinc/79/07/90/563790790.db2.gz	DWIMPZXEJMEAFB-GOSISDBHSA-N	1	0	323.440	3.751	40	0		DHABRO
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)n1	ZINC000257230677	563791887	/nfs/dbraw/zinc/79/18/87/563791887.db2.gz	GDJUGRDRQCIECZ-CYBMUJFWSA-N	1	0	307.800	3.511	40	0		DHABRO
Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)n1	ZINC000257268217	563792357	/nfs/dbraw/zinc/79/23/57/563792357.db2.gz	MKSLBRLPQXVHIK-OAHLLOKOSA-N	1	0	317.820	3.668	40	0		DHABRO
COc1ccc(C2=CC[N@H+](Cc3ccccc3)CC2)cc1OC	ZINC000013534184	563839977	/nfs/dbraw/zinc/83/99/77/563839977.db2.gz	ZTGJVEWQUBETBR-UHFFFAOYSA-N	1	0	309.409	3.993	40	0		DHABRO
FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@@H+](C4CCC4)C3)nc2c1	ZINC000035446678	563867319	/nfs/dbraw/zinc/86/73/19/563867319.db2.gz	HBZILFFEIWXJOS-JTQLQIEISA-N	1	0	309.335	3.924	40	0	biogenic,in-vitro	DHABRO
CC(C)(C)OC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1	ZINC000067801196	563928149	/nfs/dbraw/zinc/92/81/49/563928149.db2.gz	LBMLHFPYKJGHAD-UHFFFAOYSA-N	1	0	322.424	3.562	40	0		DHABRO
CCCOc1c(C)cc(-c2noc(C3CC[NH2+]CC3)n2)cc1C	ZINC000095095370	563930858	/nfs/dbraw/zinc/93/08/58/563930858.db2.gz	MSNDQYNKGIVKNL-UHFFFAOYSA-N	1	0	315.417	3.609	40	0		DHABRO
C[C@@H]([NH2+]CCCSc1ccccc1)[C@H](O)c1ccc(O)cc1	ZINC000001565065	568412161	/nfs/dbraw/zinc/41/21/61/568412161.db2.gz	KNPDZXNZIJNVNH-KDOFPFPSSA-N	1	0	317.454	3.586	40	0		DHABRO
Cc1ccc(-[n+]2nc(-c3ccccc3)nn2-c2ccccc2)cc1	ZINC000001569720	568412313	/nfs/dbraw/zinc/41/23/13/568412313.db2.gz	QDQHUDINLICEPV-UHFFFAOYSA-N	1	0	313.384	3.519	40	0		DHABRO
C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccnc2Cl)no1	ZINC000013992538	1022011300	/nfs/dbraw/zinc/01/13/00/1022011300.db2.gz	PNQYUOZSVJQINS-GHMZBOCLSA-N	1	0	306.797	3.548	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1	ZINC000082334777	185176199	/nfs/dbraw/zinc/17/61/99/185176199.db2.gz	KLPMBJORBKCSRC-SECBINFHSA-N	1	0	320.742	3.639	40	0		DHABRO
c1csc([C@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1	ZINC000092788736	185341285	/nfs/dbraw/zinc/34/12/85/185341285.db2.gz	SSIFKBCLOCMUMT-INIZCTEOSA-N	1	0	312.438	3.799	40	0		DHABRO
CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2cnccn2)n1	ZINC000072375163	191140172	/nfs/dbraw/zinc/14/01/72/191140172.db2.gz	YUSGQHZGPXAEIZ-OAHLLOKOSA-N	1	0	311.433	3.798	40	0		DHABRO
Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1OC(=O)OC(C)C	ZINC000000001581	180667722	/nfs/dbraw/zinc/66/77/22/180667722.db2.gz	JBWWCPMFTSBPAK-UHFFFAOYSA-N	1	0	323.433	3.983	40	0	in-man	DHABRO
Cc1ncccc1Oc1nccnc1[C@@H]1CCC[N@@H+](C(C)C)C1	ZINC000072383513	191144513	/nfs/dbraw/zinc/14/45/13/191144513.db2.gz	ZSOUVQTVDJWYPQ-OAHLLOKOSA-N	1	0	312.417	3.560	40	0		DHABRO
CC[C@@H](C)[NH+](CCCOC(=O)c1ccc(N)cc1)[C@H](C)CC	ZINC000001610526	180878752	/nfs/dbraw/zinc/87/87/52/180878752.db2.gz	QWFIELFCSSOVDP-HUUCEWRRSA-N	1	0	306.450	3.715	40	0		DHABRO
C[N@@H+]1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000005029550	181193216	/nfs/dbraw/zinc/19/32/16/181193216.db2.gz	BSKUDKXKAISNDJ-MTEHYEEQSA-N	1	0	301.474	3.914	40	0		DHABRO
C=C[NH2+]CCc1nc2ccccc2n1Cc1cc(C)ccc1C	ZINC000005235850	181219618	/nfs/dbraw/zinc/21/96/18/181219618.db2.gz	FJUSSAGMMAZHMK-UHFFFAOYSA-N	1	0	305.425	3.977	40	0		DHABRO
Cc1ccc(C)c(C2(C)CC([C@@H](O)C[NH+]3CCCCC3)C2)c1	ZINC000005542418	181255167	/nfs/dbraw/zinc/25/51/67/181255167.db2.gz	LGUVWUSWYOZZAT-SYYJFZTOSA-N	1	0	301.474	3.818	40	0		DHABRO
CC(C)Oc1ccc(C(=O)OCC[C@H](C)[NH+]2CCCC2)cc1	ZINC000005963106	181301426	/nfs/dbraw/zinc/30/14/26/181301426.db2.gz	XRTXIJUDIFZVJZ-HNNXBMFYSA-N	1	0	305.418	3.505	40	0		DHABRO
Cc1ccc(C[NH2+]CCCSc2nc(C)cc(C)n2)cc1	ZINC000006678425	181369374	/nfs/dbraw/zinc/36/93/74/181369374.db2.gz	YNXBCWSDWLTDEL-UHFFFAOYSA-N	1	0	301.459	3.674	40	0		DHABRO
COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4n[nH]cc4C)C3)cc2c1	ZINC000257207030	202943484	/nfs/dbraw/zinc/94/34/84/202943484.db2.gz	BGBCRDBDXSWZFO-AWEZNQCLSA-N	1	0	324.428	3.588	40	0		DHABRO
Cc1cn(C)c([C@@H]2CCC[N@@H+]2Cc2cccc3cccnc32)n1	ZINC000257296994	203020797	/nfs/dbraw/zinc/02/07/97/203020797.db2.gz	RFHVQPLAOYYWRW-KRWDZBQOSA-N	1	0	306.413	3.614	40	0		DHABRO
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)n1	ZINC000257319989	203044679	/nfs/dbraw/zinc/04/46/79/203044679.db2.gz	VUWUAFHPXNHSBB-ZDUSSCGKSA-N	1	0	307.800	3.511	40	0		DHABRO
CC(C)n1nccc1-c1cccc(C[C@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000257325487	203048599	/nfs/dbraw/zinc/04/85/99/203048599.db2.gz	WTBYTXXITFTNES-MRXNPFEDSA-N	1	0	312.461	3.799	40	0		DHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)Nc1ccccc1	ZINC000018177331	182096594	/nfs/dbraw/zinc/09/65/94/182096594.db2.gz	JPEXBERWHLUFGP-UHFFFAOYSA-N	1	0	323.440	3.994	40	0		DHABRO
Cc1cccc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)c1	ZINC000019234490	182111176	/nfs/dbraw/zinc/11/11/76/182111176.db2.gz	WZKXWNXCIGMSRI-HLAWJBBLSA-N	1	0	322.452	3.510	40	0		DHABRO
C[C@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@H](C)N1	ZINC000019362656	182118901	/nfs/dbraw/zinc/11/89/01/182118901.db2.gz	GUDVQJXODNJRIJ-IRXDYDNUSA-N	1	0	321.468	3.867	40	0	in-vitro	DHABRO
c1ccc([C@H]2CCN(Cc3ccccn3)[C@@H]3CCCC[NH2+][C@H]23)cc1	ZINC000019373896	182121050	/nfs/dbraw/zinc/12/10/50/182121050.db2.gz	LPJGERFGODNKHV-NJDAHSKKSA-N	1	0	321.468	3.582	40	0		DHABRO
CN(C)c1ncc(C[N@@H+]2CCCC[C@H]2CCc2ccccc2)cn1	ZINC000019585527	182132124	/nfs/dbraw/zinc/13/21/24/182132124.db2.gz	XLYXVIUTSXOFJR-IBGZPJMESA-N	1	0	324.472	3.530	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1cc(F)ccc1F	ZINC000019582672	182132442	/nfs/dbraw/zinc/13/24/42/182132442.db2.gz	NOQUHGZGYSSXLX-UHFFFAOYSA-N	1	0	310.413	3.590	40	0		DHABRO
CCOc1cc(C=O)ccc1OCC[N@@H+]1CCCC[C@H]1CC	ZINC000020131592	182190858	/nfs/dbraw/zinc/19/08/58/182190858.db2.gz	GXQFIRFONQVAOR-MRXNPFEDSA-N	1	0	305.418	3.541	40	0		DHABRO
C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000038832814	183011667	/nfs/dbraw/zinc/01/16/67/183011667.db2.gz	WRNMXHAPFJPEKZ-YLJYHZDGSA-N	1	0	322.452	3.776	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1	ZINC000072214604	257125941	/nfs/dbraw/zinc/12/59/41/257125941.db2.gz	QSXLYMLOWRXWQI-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCC[NH2+]1)C1CCC1	ZINC000072215485	257126007	/nfs/dbraw/zinc/12/60/07/257126007.db2.gz	QGODZYHMWNCJMK-OAHLLOKOSA-N	1	0	317.433	3.800	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214497	257126097	/nfs/dbraw/zinc/12/60/97/257126097.db2.gz	AFQONVVXEXFGSM-OAHLLOKOSA-N	1	0	319.449	3.998	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2C)cn1	ZINC000072214603	257126407	/nfs/dbraw/zinc/12/64/07/257126407.db2.gz	QSXLYMLOWRXWQI-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1	ZINC000072214901	257126482	/nfs/dbraw/zinc/12/64/82/257126482.db2.gz	SKQSZKGIKNUXMJ-CQSZACIVSA-N	1	0	305.422	3.656	40	0		DHABRO
C[NH2+][C@@H](c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000072207707	257128381	/nfs/dbraw/zinc/12/83/81/257128381.db2.gz	GWMILPVYBHVPFQ-INIZCTEOSA-N	1	0	304.434	3.594	40	0		DHABRO
CCN(CC)C(=O)c1ccc(C[N@@H+]2CCc3ccccc3C2)cc1	ZINC000038832599	257217456	/nfs/dbraw/zinc/21/74/56/257217456.db2.gz	IKOMWRADGXLXDP-UHFFFAOYSA-N	1	0	322.452	3.727	40	0		DHABRO
CC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCC2)cc1	ZINC000129299074	196037755	/nfs/dbraw/zinc/03/77/55/196037755.db2.gz	RNMMDKKKUKGXIF-UHFFFAOYSA-N	1	0	304.434	3.536	40	0		DHABRO
Cc1cc(C)cc(NC(=S)NCCC[NH+]2CCC(C)CC2)c1	ZINC000007027258	563336046	/nfs/dbraw/zinc/33/60/46/563336046.db2.gz	HEAIDYZUAVLTNE-UHFFFAOYSA-N	1	0	319.518	3.712	40	0		DHABRO
CC[C@H](C)[C@@H](C(=O)OC1CC[NH+](CC)CC1)c1ccccc1	ZINC000001726501	563294001	/nfs/dbraw/zinc/29/40/01/563294001.db2.gz	UBWAHRVZHIOXEQ-MAUKXSAKSA-N	1	0	303.446	3.844	40	0		DHABRO
CC(C)(C)OC(=O)Nc1c(Cl)cc(C(N)=[NH2+])cc1Cl	ZINC000002599225	563310485	/nfs/dbraw/zinc/31/04/85/563310485.db2.gz	FCTWHNUVLILHHV-UHFFFAOYSA-N	1	0	304.177	3.624	40	0		DHABRO
CC(C)(CO)[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1	ZINC000006883155	563334726	/nfs/dbraw/zinc/33/47/26/563334726.db2.gz	LJTGYIIEUHJGIZ-UHFFFAOYSA-N	1	0	319.832	3.780	40	0		DHABRO
CC(C)c1ccc(NC(=S)NCCC[NH+]2CCCCC2)cc1	ZINC000007369657	563337882	/nfs/dbraw/zinc/33/78/82/563337882.db2.gz	YRRWENQIVDXGDD-UHFFFAOYSA-N	1	0	319.518	3.972	40	0		DHABRO
CC[C@@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000008326401	563346132	/nfs/dbraw/zinc/34/61/32/563346132.db2.gz	CSCDYMXYTYWNHI-INIZCTEOSA-N	1	0	319.832	3.780	40	0		DHABRO
C[NH2+]CCCNCc1ccccc1OCc1ccccc1Cl	ZINC000008377268	563346779	/nfs/dbraw/zinc/34/67/79/563346779.db2.gz	UKTKEJDUAUPTKI-UHFFFAOYSA-N	1	0	318.848	3.618	40	0		DHABRO
COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1	ZINC000012144506	563362975	/nfs/dbraw/zinc/36/29/75/563362975.db2.gz	DVOPRKZTGKARBK-PMSBKCLSSA-N	1	0	323.436	3.710	40	0		DHABRO
Fc1ccccc1Cn1c(C2CC[NH2+]CC2)cc2cccnc21	ZINC000012228439	563364535	/nfs/dbraw/zinc/36/45/35/563364535.db2.gz	TWUXGGHEBLWMTP-UHFFFAOYSA-N	1	0	309.388	3.691	40	0		DHABRO
CCN(CC)C[C@@H](CN(CC(C)C)CC(C)C)[NH2+]CC(C)C	ZINC000022581235	563418865	/nfs/dbraw/zinc/41/88/65/563418865.db2.gz	GNOXJLFBYFFUMU-IBGZPJMESA-N	1	0	313.574	3.556	40	0		DHABRO
CC(C)CCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000030752825	563438270	/nfs/dbraw/zinc/43/82/70/563438270.db2.gz	ABSYBECBACGWIL-MRXNPFEDSA-N	1	0	302.462	3.694	40	0		DHABRO
Cc1ccc(C(C)C)c(OC[C@H](O)C[NH+](C(C)C)C(C)C)c1	ZINC000032594534	563442834	/nfs/dbraw/zinc/44/28/34/563442834.db2.gz	YRIJERDLQWQKAS-QGZVFWFLSA-N	1	0	307.478	3.977	40	0		DHABRO
CC[C@H](OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1	ZINC000253372584	563480068	/nfs/dbraw/zinc/48/00/68/563480068.db2.gz	FWILNCFMKJDLDO-RWQQGDIJSA-N	1	0	305.462	3.778	40	0		DHABRO
NNc1cc(-c2nc(-c3ccc(Cl)cc3)cs2)cc[nH+]1	ZINC000089263546	563523940	/nfs/dbraw/zinc/52/39/40/563523940.db2.gz	TVKCLANUEUOGCR-UHFFFAOYSA-N	1	0	302.790	3.811	40	0		DHABRO
c1cc(C[N@H+]2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)cs1	ZINC000096057000	563532404	/nfs/dbraw/zinc/53/24/04/563532404.db2.gz	WMUHCITWGNZEDZ-ZWKOTPCHSA-N	1	0	321.486	3.546	40	0		DHABRO
c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2cccnc2)cc1	ZINC000096061593	563532815	/nfs/dbraw/zinc/53/28/15/563532815.db2.gz	RWCFTJUNBNYUIY-LEWJYISDSA-N	1	0	322.452	3.694	40	0		DHABRO
COC[C@@H]1COCCC12CC[NH+](Cc1ccc(Cl)cc1)CC2	ZINC000096106320	563533040	/nfs/dbraw/zinc/53/30/40/563533040.db2.gz	CSYHOMQYTMJBJX-MRXNPFEDSA-N	1	0	323.864	3.605	40	0		DHABRO
COc1ccc(CN2CC[C@]3(C2)CCC[N@H+](CC(C)C)C3)cc1	ZINC000096215268	563535463	/nfs/dbraw/zinc/53/54/63/563535463.db2.gz	XOLJLRIEHGBXJO-HXUWFJFHSA-N	1	0	316.489	3.639	40	0		DHABRO
CO[C@H]1CC[N@H+](Cc2csc(C)n2)C[C@@H]1Cc1ccccc1	ZINC000096206249	563535825	/nfs/dbraw/zinc/53/58/25/563535825.db2.gz	YDMZLZHPINGFBY-WMZOPIPTSA-N	1	0	316.470	3.531	40	0		DHABRO
CCc1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1	ZINC000226774794	563605375	/nfs/dbraw/zinc/60/53/75/563605375.db2.gz	RNAGPQLINAALNB-UHFFFAOYSA-N	1	0	318.194	3.644	40	0		DHABRO
CC[NH+](CC)Cc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1	ZINC000000568237	563631202	/nfs/dbraw/zinc/63/12/02/563631202.db2.gz	GLYZMFIGHDSYFG-UHFFFAOYSA-N	1	0	323.651	3.837	40	0		DHABRO
COc1ccc(CC[NH2+]Cc2ccc(SC)cc2)cc1OC	ZINC000006170746	563637776	/nfs/dbraw/zinc/63/77/76/563637776.db2.gz	HKWXXVDPNKEKBC-UHFFFAOYSA-N	1	0	317.454	3.758	40	0		DHABRO
COCC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1	ZINC000008469193	563643521	/nfs/dbraw/zinc/64/35/21/563643521.db2.gz	TZUXLDJVPIZZFO-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
CC1CC[NH+](CCCNC(=O)/C=C/c2ccccc2Cl)CC1	ZINC000010540235	563649219	/nfs/dbraw/zinc/64/92/19/563649219.db2.gz	POHMMXNSNBOVRH-BQYQJAHWSA-N	1	0	320.864	3.591	40	0		DHABRO
COCC[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C	ZINC000223664789	563735353	/nfs/dbraw/zinc/73/53/53/563735353.db2.gz	DCFPZVFPYXFDOM-UHFFFAOYSA-N	1	0	306.837	3.543	40	0		DHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1	ZINC000224642682	563743086	/nfs/dbraw/zinc/74/30/86/563743086.db2.gz	OOUURECGGCJFFV-UHFFFAOYSA-N	1	0	322.452	3.911	40	0		DHABRO
CC(C)n1nccc1-c1cnc([C@@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257204290	563789448	/nfs/dbraw/zinc/78/94/48/563789448.db2.gz	ATWBDXHALCEUOL-OAHLLOKOSA-N	1	0	313.449	3.509	40	0		DHABRO
Cc1c[nH]c(-c2cncc([C@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1	ZINC000257224620	563790747	/nfs/dbraw/zinc/79/07/47/563790747.db2.gz	FCPAKRRUOKFJPD-GOSISDBHSA-N	1	0	319.412	3.512	40	0		DHABRO
CNc1cc([C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1	ZINC000257224398	563791002	/nfs/dbraw/zinc/79/10/02/563791002.db2.gz	FBQYTRCIJIQLDC-QGZVFWFLSA-N	1	0	320.396	3.582	40	0		DHABRO
Cc1ncc(-c2nccnc2C[C@H]2CCC[N@@H+](C(C)C)C2)s1	ZINC000257238447	563791603	/nfs/dbraw/zinc/79/16/03/563791603.db2.gz	HLABWDQUBHDMAY-CQSZACIVSA-N	1	0	316.474	3.571	40	0		DHABRO
Cc1csc(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1	ZINC000257232384	563791845	/nfs/dbraw/zinc/79/18/45/563791845.db2.gz	GKRGUGMRNJSHRG-CQSZACIVSA-N	1	0	316.474	3.805	40	0		DHABRO
c1csc(C[C@H]2CCC[N@H+](Cc3cnc4ccccc4n3)C2)n1	ZINC000257255610	563792238	/nfs/dbraw/zinc/79/22/38/563792238.db2.gz	KIECIBMXEBLRSQ-CQSZACIVSA-N	1	0	324.453	3.541	40	0		DHABRO
c1ccc2c(C[C@H]3CC[N@@H+](CC4CCOCC4)C3)ccnc2c1	ZINC000257250674	563792452	/nfs/dbraw/zinc/79/24/52/563792452.db2.gz	JNMVRZGCMRSOBY-QGZVFWFLSA-N	1	0	310.441	3.526	40	0		DHABRO
Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)c(C(C)(C)C)c1	ZINC000026781081	563795225	/nfs/dbraw/zinc/79/52/25/563795225.db2.gz	VJCMXUCBOXMTLY-INIZCTEOSA-N	1	0	305.462	3.518	40	0		DHABRO
CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)[nH+]1	ZINC000329025756	563833609	/nfs/dbraw/zinc/83/36/09/563833609.db2.gz	PIOGSKHQXZAQKT-ZIAGYGMSSA-N	1	0	310.445	3.947	40	0		DHABRO
CCNc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C(C)C)[nH+]1	ZINC000329059682	563833820	/nfs/dbraw/zinc/83/38/20/563833820.db2.gz	WJEWBGQUPKIQJM-AWEZNQCLSA-N	1	0	310.445	3.983	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2ccc(Cl)cc2)CC1	ZINC000098213811	563839923	/nfs/dbraw/zinc/83/99/23/563839923.db2.gz	AXMAMXSLJKFCDG-UHFFFAOYSA-N	1	0	324.852	3.611	40	0		DHABRO
Cc1cc(C)c(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1	ZINC000035031451	563873558	/nfs/dbraw/zinc/87/35/58/563873558.db2.gz	XSNHSRSRUZLJLL-KSZLIROESA-N	1	0	305.462	3.614	40	0		DHABRO
c1cncc(-c2nccc(C[N@@H+]3CCC[C@@H]4CCCC[C@H]43)n2)c1	ZINC000012670929	563922871	/nfs/dbraw/zinc/92/28/71/563922871.db2.gz	QOPIFIMHBKCQAS-MAUKXSAKSA-N	1	0	308.429	3.693	40	0		DHABRO
CCCCOc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095421	563931006	/nfs/dbraw/zinc/93/10/06/563931006.db2.gz	CIYJCUJZDHICFX-HNNXBMFYSA-N	1	0	315.417	3.957	40	0		DHABRO
CCNc1nc(N2Cc3ccccc3CC2(C)C)cc(C(C)C)[nH+]1	ZINC000329044234	563959853	/nfs/dbraw/zinc/95/98/53/563959853.db2.gz	SVKCMMSAPVUJBD-UHFFFAOYSA-N	1	0	324.472	4.373	40	0		DHABRO
CC(C)Nc1nc(N2Cc3ccccc3C[C@H]2C)cc(C(C)C)[nH+]1	ZINC000329027808	563959927	/nfs/dbraw/zinc/95/99/27/563959927.db2.gz	PSYVOSMPGGTMEO-OAHLLOKOSA-N	1	0	324.472	4.372	40	0		DHABRO
CC(C)(C)OC(=O)[C@@H](N)CCCCCCCCCCC[NH3+]	ZINC000115824208	1022979392	/nfs/dbraw/zinc/97/93/92/1022979392.db2.gz	GJHDZMCLHCJVDO-HNNXBMFYSA-N	1	0	300.487	3.515	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1	ZINC000082336883	185176373	/nfs/dbraw/zinc/17/63/73/185176373.db2.gz	XBXBPBIKAVKZHD-HNNXBMFYSA-N	1	0	310.397	3.759	40	0		DHABRO
C[C@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1	ZINC000225592185	186280835	/nfs/dbraw/zinc/28/08/35/186280835.db2.gz	UACCWOJZKMYCGJ-HNNXBMFYSA-N	1	0	318.461	3.782	40	0		DHABRO
FC(F)(F)c1ccc(-c2cnc(C3CC[NH2+]CC3)cn2)cc1	ZINC000072363370	191131595	/nfs/dbraw/zinc/13/15/95/191131595.db2.gz	APKGRTPHTUGUJL-UHFFFAOYSA-N	1	0	307.319	3.629	40	0		DHABRO
FC(F)(F)c1cccc(-c2cnc([C@H]3CCC[NH2+]C3)cn2)c1	ZINC000072365067	191134177	/nfs/dbraw/zinc/13/41/77/191134177.db2.gz	LTULBAMBDVZDGB-LBPRGKRZSA-N	1	0	307.319	3.629	40	0		DHABRO
CC(C)(C)C[N@@H+]1CCC[C@@H]1c1cccc(Nc2ncccn2)n1	ZINC000072375161	191139894	/nfs/dbraw/zinc/13/98/94/191139894.db2.gz	AIYSPHKGZCPQLT-OAHLLOKOSA-N	1	0	311.433	3.798	40	0		DHABRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(F)cc(F)c2)on1	ZINC000072395106	191150135	/nfs/dbraw/zinc/15/01/35/191150135.db2.gz	JUKSTDHJOUXPQI-SUMWQHHRSA-N	1	0	306.356	3.762	40	0		DHABRO
COc1ccccc1C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1OC	ZINC000001648449	180883328	/nfs/dbraw/zinc/88/33/28/180883328.db2.gz	SKVZMKWCURTNKK-HOTGVXAUSA-N	1	0	313.441	3.856	40	0	in-man	DHABRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000003864488	181051177	/nfs/dbraw/zinc/05/11/77/181051177.db2.gz	GOJANQILHWLMMS-MKXGPGLRSA-N	1	0	311.510	3.557	40	0		DHABRO
CC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1	ZINC000004190500	181084058	/nfs/dbraw/zinc/08/40/58/181084058.db2.gz	HXCDVFLRVSWOGS-INIZCTEOSA-N	1	0	305.470	3.751	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1cccc(Cl)c1)C2	ZINC000004887158	181167748	/nfs/dbraw/zinc/16/77/48/181167748.db2.gz	GVPMEJDOHTYMEW-ALOPSCKCSA-N	1	0	320.864	3.865	40	0		DHABRO
CC1(C)[C@H](C[C@H]2OC[C@H](C[NH+]3CCCCC3)O2)[C@@H]2CC[C@H]1C2	ZINC000005415888	181240604	/nfs/dbraw/zinc/24/06/04/181240604.db2.gz	IUQYLYYXKZJRJM-ICUGJSFKSA-N	1	0	307.478	3.676	40	0		DHABRO
CC[C@H]1CC[C@@H]2[C@H](CC[C@@]3([NH+](C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1	ZINC000005339248	181231729	/nfs/dbraw/zinc/23/17/29/181231729.db2.gz	JGYKCSORDIHDBG-BDBHOTGSSA-N	1	0	323.521	3.963	40	0		DHABRO
COc1ccc([C@](C)(O)c2cnc(C)n2Cc2ccccc2)cc1	ZINC000005504233	181250393	/nfs/dbraw/zinc/25/03/93/181250393.db2.gz	KQLHVDIVHQSWPS-FQEVSTJZSA-N	1	0	322.408	3.504	40	0		DHABRO
[NH3+][C@H](CCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000005673628	181270305	/nfs/dbraw/zinc/27/03/05/181270305.db2.gz	QIECYFSVFSKILE-OAHLLOKOSA-N	1	0	303.789	3.744	40	0		DHABRO
C[NH+](C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@@H]2O	ZINC000005813266	181285823	/nfs/dbraw/zinc/28/58/23/181285823.db2.gz	AMLZJBJUPQPFNG-NRFANRHFSA-N	1	0	319.404	3.842	40	0		DHABRO
Cc1cc(Cl)ccc1OC[C@@H](O)C[N@@H+](C)C1CCCCC1	ZINC000006008720	181305388	/nfs/dbraw/zinc/30/53/88/181305388.db2.gz	RAJBMWRBCRIGKM-INIZCTEOSA-N	1	0	311.853	3.653	40	0		DHABRO
CC[C@@H](OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1	ZINC000006356119	181333916	/nfs/dbraw/zinc/33/39/16/181333916.db2.gz	FWILNCFMKJDLDO-OGWHTMIXSA-N	1	0	305.462	3.778	40	0		DHABRO
O=C(CCc1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1	ZINC000225305377	201693335	/nfs/dbraw/zinc/69/33/35/201693335.db2.gz	FIYZJCLHZPBDQD-UHFFFAOYSA-N	1	0	322.880	3.655	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@H]2OCC3(CC[NH2+]CC3)C[C@@H]21	ZINC000257249707	202982411	/nfs/dbraw/zinc/98/24/11/202982411.db2.gz	JJKOWYVIDQSEBM-GOEBONIOSA-N	1	0	321.848	3.958	40	0		DHABRO
CC(C)(C)c1noc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)n1	ZINC000019084609	182104393	/nfs/dbraw/zinc/10/43/93/182104393.db2.gz	SVTNAKXPBOQHPC-GFCCVEGCSA-N	1	0	321.371	3.635	40	0		DHABRO
c1ccc([C@H]2CCN(Cc3cccnc3)[C@@H]3CCCC[NH2+][C@H]23)cc1	ZINC000019373897	182120677	/nfs/dbraw/zinc/12/06/77/182120677.db2.gz	SLGFIRLRWWKSEH-NJDAHSKKSA-N	1	0	321.468	3.582	40	0		DHABRO
FC(F)(F)c1cc(C2CC[NH2+]CC2)nc(-c2ccsc2)n1	ZINC000019406737	182121642	/nfs/dbraw/zinc/12/16/42/182121642.db2.gz	TWNZQDQCQMCZGB-UHFFFAOYSA-N	1	0	313.348	3.691	40	0		DHABRO
C[N@@H+]1CCC[C@H]1c1cc2cccnc2n1Cc1ccc(F)cc1	ZINC000019588705	182132050	/nfs/dbraw/zinc/13/20/50/182132050.db2.gz	JUESPYYZNLGUEB-KRWDZBQOSA-N	1	0	309.388	3.990	40	0		DHABRO
Clc1cccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1	ZINC000019831795	182154962	/nfs/dbraw/zinc/15/49/62/182154962.db2.gz	RIXXVXALVTVHMJ-BPQIPLTHSA-N	1	0	316.876	3.670	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)cc1C	ZINC000044080806	183394516	/nfs/dbraw/zinc/39/45/16/183394516.db2.gz	ZOPXXJCTHNPBBT-CQSZACIVSA-N	1	0	319.518	3.712	40	0		DHABRO
CNc1ncc([C@H]2CCCCN2C(=O)c2ccccc2)cc1C	ZINC000072219017	257124001	/nfs/dbraw/zinc/12/40/01/257124001.db2.gz	DPLMSAHVUVOKDZ-QGZVFWFLSA-N	1	0	309.413	3.799	40	0		DHABRO
Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C(=O)c1ccccc1	ZINC000072218716	257124308	/nfs/dbraw/zinc/12/43/08/257124308.db2.gz	ZOWWGYWBSCVTGW-SFHVURJKSA-N	1	0	323.440	3.823	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@@H]1CCCCN1C(=O)c1ccccc1	ZINC000072218776	257124505	/nfs/dbraw/zinc/12/45/05/257124505.db2.gz	YMCUMJBAVUWBML-SFHVURJKSA-N	1	0	323.440	3.823	40	0		DHABRO
C[NH2+][C@H](c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000072207706	257128318	/nfs/dbraw/zinc/12/83/18/257128318.db2.gz	GWMILPVYBHVPFQ-MRXNPFEDSA-N	1	0	304.434	3.594	40	0		DHABRO
COCCC[NH2+]Cc1cc(C)n([C@H](C)c2ccccc2)c1C	ZINC000223678009	563735171	/nfs/dbraw/zinc/73/51/71/563735171.db2.gz	AOEMURIIBAFQIS-MRXNPFEDSA-N	1	0	300.446	3.840	40	0		DHABRO
COc1cc2cccnc2c(NCCCC[C@H]2CCCC[NH2+]2)c1	ZINC000001640926	563288585	/nfs/dbraw/zinc/28/85/85/563288585.db2.gz	LIYDEHVSOATNNT-MRXNPFEDSA-N	1	0	313.445	3.968	40	0		DHABRO
Clc1ccc2[nH+]c3c(c(N4CCOCC4)c2c1)CCCC3	ZINC000001673174	563290726	/nfs/dbraw/zinc/29/07/26/563290726.db2.gz	NMKJQHBKHZEHGO-UHFFFAOYSA-N	1	0	302.805	3.604	40	0		DHABRO
CC(C)Oc1ccc(C(=O)OCC[C@@H](C)[NH+]2CCCC2)cc1	ZINC000001706424	563292619	/nfs/dbraw/zinc/29/26/19/563292619.db2.gz	XRTXIJUDIFZVJZ-OAHLLOKOSA-N	1	0	305.418	3.505	40	0		DHABRO
C[NH+](C)CCCN1c2ccccc2Sc2ccc(O)cc21	ZINC000005317531	563329518	/nfs/dbraw/zinc/32/95/18/563329518.db2.gz	YMVFQWULFRMLRA-UHFFFAOYSA-N	1	0	300.427	3.947	40	0	in-vitro	DHABRO
CC1=[NH+]C[C@@H](C)Nc2c3ccccc3n(-c3ccccc3)c(=O)c21	ZINC000006175730	563332056	/nfs/dbraw/zinc/33/20/56/563332056.db2.gz	FWLQUSMXSOWPNL-CYBMUJFWSA-N	1	0	317.392	3.614	40	0		DHABRO
C[C@@H](C[NH+]1CCC(c2[nH]nc3ncccc32)CC1)c1ccccc1	ZINC000012220712	563364539	/nfs/dbraw/zinc/36/45/39/563364539.db2.gz	CVHUWIGFPOQGFU-HNNXBMFYSA-N	1	0	320.440	3.941	40	0		DHABRO
CC(C)CCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000030752829	563438145	/nfs/dbraw/zinc/43/81/45/563438145.db2.gz	ABSYBECBACGWIL-INIZCTEOSA-N	1	0	302.462	3.694	40	0		DHABRO
O=C(NCc1ccccc1C[NH+]1CCCC1)Nc1ccccc1	ZINC000045560633	563465023	/nfs/dbraw/zinc/46/50/23/563465023.db2.gz	VFGAWLCJQXGWIC-UHFFFAOYSA-N	1	0	309.413	3.604	40	0		DHABRO
C[C@H](c1ccccc1)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000035080290	563486786	/nfs/dbraw/zinc/48/67/86/563486786.db2.gz	ZRRQJEOGSURZRN-DJIMGWMZSA-N	1	0	316.445	3.689	40	0		DHABRO
CNc1cccc(CC[C@@H]2CCCCN2C(=O)C2CCCC2)n1	ZINC000585177159	563525659	/nfs/dbraw/zinc/52/56/59/563525659.db2.gz	HWTQZWWDPFQTJT-KRWDZBQOSA-N	1	0	315.461	3.627	40	0		DHABRO
c1sc([C@@H]2C[C@@H]3CC[N@@H+](CC4CC4)C[C@H]3O2)nc1C1CC1	ZINC000096070695	563532768	/nfs/dbraw/zinc/53/27/68/563532768.db2.gz	NGOCNTWOTYVHMW-CWRNSKLLSA-N	1	0	304.459	3.582	40	0		DHABRO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccoc3)C[C@@H]21	ZINC000096100368	563533229	/nfs/dbraw/zinc/53/32/29/563533229.db2.gz	NLLYNHQOELVISD-FHWLQOOXSA-N	1	0	324.424	3.530	40	0		DHABRO
Cc1ccsc1C[NH+]1CCC2(C[C@@H](OCC3CC3)CO2)CC1	ZINC000096106631	563533509	/nfs/dbraw/zinc/53/35/09/563533509.db2.gz	OKLYQEIYMRKAPX-MRXNPFEDSA-N	1	0	321.486	3.607	40	0		DHABRO
Cc1cccc(C[NH+]2CCC3(CC(Oc4cccnc4)C3)CC2)n1	ZINC000096159349	563534925	/nfs/dbraw/zinc/53/49/25/563534925.db2.gz	OOASWSDNMYANCO-UHFFFAOYSA-N	1	0	323.440	3.609	40	0		DHABRO
c1ccc(C[N@H+]2CCC[C@@]3(CCCN3Cc3cccnc3)C2)cc1	ZINC000096214658	563535294	/nfs/dbraw/zinc/53/52/94/563535294.db2.gz	PAGPTAITAJIMDN-OAQYLSRUSA-N	1	0	321.468	3.712	40	0		DHABRO
c1ccc2c(c1)CCN(c1cc(NC3CCCCC3)ncn1)C2	ZINC000244281027	563604627	/nfs/dbraw/zinc/60/46/27/563604627.db2.gz	WUCASHCSRPYOLG-UHFFFAOYSA-N	1	0	308.429	3.784	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1	ZINC000100809409	563632532	/nfs/dbraw/zinc/63/25/32/563632532.db2.gz	IOXXRKVKEPGMAY-IYBDPMFKSA-N	1	0	322.424	3.751	40	0		DHABRO
c1ccc(C[N@H+]2CC[C@@H](CNc3ncnc4ccccc43)C2)cc1	ZINC000002048049	563634425	/nfs/dbraw/zinc/63/44/25/563634425.db2.gz	UDUVTWVITKQZKA-KRWDZBQOSA-N	1	0	318.424	3.564	40	0	in-vitro	DHABRO
CCOCCC[NH2+]Cc1ccc(OCc2cccs2)cc1	ZINC000008253191	563642186	/nfs/dbraw/zinc/64/21/86/563642186.db2.gz	JYQABYOJVFHXNC-UHFFFAOYSA-N	1	0	305.443	3.843	40	0		DHABRO
CC(C)(C)c1nnc([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)o1	ZINC000049170636	563701006	/nfs/dbraw/zinc/70/10/06/563701006.db2.gz	LGYDSJYUQMRIOM-ZDUSSCGKSA-N	1	0	324.428	3.838	40	0	biogenic,in-vitro	DHABRO
COc1cccc(C=O)c1OCCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217789847	563714677	/nfs/dbraw/zinc/71/46/77/563714677.db2.gz	HUEIPUFUKWDIOH-GJZGRUSLSA-N	1	0	305.418	3.540	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCCC[NH+]1CCCCCC1	ZINC000217799168	563714733	/nfs/dbraw/zinc/71/47/33/563714733.db2.gz	CYMCLWMYOOFIFI-UHFFFAOYSA-N	1	0	319.445	3.933	40	0		DHABRO
CC(C)[C@@H]1C[C@]2(C)NC(=O)CCCC[C@@H]2[N@@H+]1Cc1ccccc1	ZINC000218905062	563717639	/nfs/dbraw/zinc/71/76/39/563717639.db2.gz	XFDARQVSZRZNQF-BJLQDIEVSA-N	1	0	314.473	3.734	40	0		DHABRO
C[NH2+]C1CCC(Cc2cccc(Nc3ncc(C)s3)n2)CC1	ZINC000585263107	563781535	/nfs/dbraw/zinc/78/15/35/563781535.db2.gz	KQJOQBRIAFLJJP-UHFFFAOYSA-N	1	0	316.474	3.911	40	0		DHABRO
CC(C)[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000260897713	563781750	/nfs/dbraw/zinc/78/17/50/563781750.db2.gz	KNIMVCDNUSUQTQ-HOCLYGCPSA-N	1	0	322.880	3.713	40	0		DHABRO
CC(=O)NCc1cccc([C@H]2CCC[N@@H+]2C2CCCCCC2)n1	ZINC000257213914	563790507	/nfs/dbraw/zinc/79/05/07/563790507.db2.gz	CJRBSINFCOAXBW-LJQANCHMSA-N	1	0	315.461	3.577	40	0		DHABRO
CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C2CC2)[nH+]1	ZINC000329040205	563833734	/nfs/dbraw/zinc/83/37/34/563833734.db2.gz	SBJDNYDQLIQJSN-UHFFFAOYSA-N	1	0	314.820	3.612	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH+]1CCCCCC1)C2	ZINC000035075039	563857872	/nfs/dbraw/zinc/85/78/72/563857872.db2.gz	XSERORFSPSIMSS-RMJJICAUSA-N	1	0	323.521	3.845	40	0		DHABRO
C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000038832816	563923169	/nfs/dbraw/zinc/92/31/69/563923169.db2.gz	WRNMXHAPFJPEKZ-XLIONFOSSA-N	1	0	322.452	3.776	40	0		DHABRO
Cc1cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc(C)c1OCC(C)C	ZINC000095095427	563930906	/nfs/dbraw/zinc/93/09/06/563930906.db2.gz	LRJQWKGDDKZHSQ-HNNXBMFYSA-N	1	0	315.417	3.813	40	0		DHABRO
Cc1ccn2c(c1)nc(-c1ccc(Br)cc1)c2C[NH3+]	ZINC000002508654	563938204	/nfs/dbraw/zinc/93/82/04/563938204.db2.gz	ZMXLWVXLWGGYCI-UHFFFAOYSA-N	1	0	316.202	3.531	40	0		DHABRO
Fc1ccc(Cn2c3ccccc3nc2C[NH+]2CCCC2)cc1	ZINC000076555528	185022737	/nfs/dbraw/zinc/02/27/37/185022737.db2.gz	OYSHGKLBFYCLSK-UHFFFAOYSA-N	1	0	309.388	3.820	40	0		DHABRO
CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@@H]2C[NH2+]CC[C@@H]21	ZINC000095635407	185382861	/nfs/dbraw/zinc/38/28/61/185382861.db2.gz	IZHFFHWVHONBQY-JSGCOSHPSA-N	1	0	308.809	3.541	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(F)c1	ZINC000225581844	186279591	/nfs/dbraw/zinc/27/95/91/186279591.db2.gz	QIGAXFCSFPAUJW-MRXNPFEDSA-N	1	0	323.481	3.767	40	0		DHABRO
C[C@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(C)(C)C)cc1	ZINC000225592271	186280752	/nfs/dbraw/zinc/28/07/52/186280752.db2.gz	IMHVBMVSVPCFIP-HNNXBMFYSA-N	1	0	318.461	3.924	40	0		DHABRO
Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccoc2)n1	ZINC000072366758	191136325	/nfs/dbraw/zinc/13/63/25/191136325.db2.gz	YQNWKGXHOWXDQO-KRWDZBQOSA-N	1	0	308.385	3.506	40	0		DHABRO
Cc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)o1	ZINC000072366754	191136617	/nfs/dbraw/zinc/13/66/17/191136617.db2.gz	NTYRXICVRXATBU-QGZVFWFLSA-N	1	0	308.385	3.506	40	0		DHABRO
c1ccc2c(c1)cncc2C[C@@H]1CC[N@H+](Cc2ccncc2)C1	ZINC000072367958	191136976	/nfs/dbraw/zinc/13/69/76/191136976.db2.gz	CXZYEKBNQCPJBV-KRWDZBQOSA-N	1	0	303.409	3.694	40	0		DHABRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(F)c2)on1	ZINC000072395102	191149493	/nfs/dbraw/zinc/14/94/93/191149493.db2.gz	ZFWKNRIGXSKJAZ-SUMWQHHRSA-N	1	0	306.356	3.762	40	0		DHABRO
CCCC(CCC)[NH2+][C@@H](CC)COC(=O)c1ccc(N)cc1	ZINC000001995972	180905209	/nfs/dbraw/zinc/90/52/09/180905209.db2.gz	MIEWEAHHHRHDAF-INIZCTEOSA-N	1	0	306.450	3.763	40	0		DHABRO
CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](CC2CC2)C[C@@H]1C	ZINC000005046333	181196063	/nfs/dbraw/zinc/19/60/63/181196063.db2.gz	FGZVDOOZHOVBIL-KXBFYZLASA-N	1	0	301.430	3.587	40	0		DHABRO
Cc1ncc([C@@](C)(O)c2cccc(C)c2)n1Cc1ccccc1	ZINC000005504112	181250427	/nfs/dbraw/zinc/25/04/27/181250427.db2.gz	GEXDFFCKCICNEA-FQEVSTJZSA-N	1	0	306.409	3.804	40	0		DHABRO
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@H](O)COc1ccc2ccccc2c1	ZINC000005528084	181253657	/nfs/dbraw/zinc/25/36/57/181253657.db2.gz	NXCMPCZBKQUWRK-MDZRGWNJSA-N	1	0	313.441	3.842	40	0		DHABRO
Cc1ncc([C@H](O)c2ccc(Cl)cc2)n1Cc1ccccc1	ZINC000005504223	181250829	/nfs/dbraw/zinc/25/08/29/181250829.db2.gz	XZNGXZNLEGMKLC-GOSISDBHSA-N	1	0	312.800	3.975	40	0		DHABRO
[NH3+][C@@H](CCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2	ZINC000005673624	181270255	/nfs/dbraw/zinc/27/02/55/181270255.db2.gz	QIECYFSVFSKILE-HNNXBMFYSA-N	1	0	303.789	3.744	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000006355903	181333730	/nfs/dbraw/zinc/33/37/30/181333730.db2.gz	XPSYBIYXGAGNCI-IXDOHACOSA-N	1	0	305.462	3.814	40	0		DHABRO
CCn1nccc1-c1ccc(CC2CC[NH+](C(C)C)CC2)cn1	ZINC000257292536	203016988	/nfs/dbraw/zinc/01/69/88/203016988.db2.gz	QLZCOACRKDOMGU-UHFFFAOYSA-N	1	0	312.461	3.628	40	0		DHABRO
Cc1ccc(C[NH2+]Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1	ZINC000013999251	181918545	/nfs/dbraw/zinc/91/85/45/181918545.db2.gz	SKAOKYPMSYMNJP-UHFFFAOYSA-N	1	0	306.409	3.743	40	0		DHABRO
Cc1cccc(CN2CCC[C@H]3[NH2+]C[C@H](c4ccc(F)cc4)[C@H]32)c1	ZINC000019235014	182111267	/nfs/dbraw/zinc/11/12/67/182111267.db2.gz	SZAGRAZPMKNXMT-NJDAHSKKSA-N	1	0	324.443	3.854	40	0		DHABRO
c1ccc([C@H]2CC[NH2+][C@@H]3CCCCN(Cc4cccnc4)[C@H]23)cc1	ZINC000019373932	182120619	/nfs/dbraw/zinc/12/06/19/182120619.db2.gz	IPIVRNNOFVDKTP-NJDAHSKKSA-N	1	0	321.468	3.582	40	0		DHABRO
CCCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C	ZINC000019501685	182125694	/nfs/dbraw/zinc/12/56/94/182125694.db2.gz	HGAJLESYHYZMID-NSHGMRRFSA-N	1	0	314.473	3.656	40	0		DHABRO
CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)c(C)n1	ZINC000019524542	182128589	/nfs/dbraw/zinc/12/85/89/182128589.db2.gz	CIYNPUNMHSDXSO-MRXNPFEDSA-N	1	0	302.422	3.625	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cc(C)ccc1C	ZINC000020111365	182188215	/nfs/dbraw/zinc/18/82/15/182188215.db2.gz	QKVVJIVMHIXNTL-IBGZPJMESA-N	1	0	316.489	3.617	40	0		DHABRO
CN(C)CC[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000022075023	182307746	/nfs/dbraw/zinc/30/77/46/182307746.db2.gz	HFSYJWZTIXDUBB-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
Cc1cccc(OC[C@@H](O)C[NH2+]C(C)(C)CC(C)(C)C)c1C	ZINC000026780527	182453663	/nfs/dbraw/zinc/45/36/63/182453663.db2.gz	YXQRUGPRTLAWME-INIZCTEOSA-N	1	0	307.478	3.848	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2cccc(Cl)c2)CC1	ZINC000098213760	193792354	/nfs/dbraw/zinc/79/23/54/193792354.db2.gz	ZVXLHIRDROFOPI-UHFFFAOYSA-N	1	0	324.852	3.567	40	0		DHABRO
COc1cccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000038834168	183010986	/nfs/dbraw/zinc/01/09/86/183010986.db2.gz	NTZRXOHLFICHDD-KRWDZBQOSA-N	1	0	324.424	3.546	40	0		DHABRO
CCCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000038858871	183012048	/nfs/dbraw/zinc/01/20/48/183012048.db2.gz	PPUGDHNYFHLAAI-MRXNPFEDSA-N	1	0	322.880	3.858	40	0		DHABRO
CC(C)c1ccc(CCC(=O)NCCC2CC[NH+](C)CC2)cc1	ZINC000156428576	197112412	/nfs/dbraw/zinc/11/24/12/197112412.db2.gz	VHRQIMJHOUUDCW-UHFFFAOYSA-N	1	0	316.489	3.591	40	0		DHABRO
CC(C)n1nccc1-c1cccc(C[C@@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000257325486	256621900	/nfs/dbraw/zinc/62/19/00/256621900.db2.gz	WTBYTXXITFTNES-INIZCTEOSA-N	1	0	312.461	3.799	40	0		DHABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214334	257125928	/nfs/dbraw/zinc/12/59/28/257125928.db2.gz	RPINRFQTDFVSEE-CQSZACIVSA-N	1	0	305.422	3.976	40	0		DHABRO
CCC[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214320	257126272	/nfs/dbraw/zinc/12/62/72/257126272.db2.gz	NFLSYUTZKQRFTB-AWEZNQCLSA-N	1	0	305.422	3.976	40	0		DHABRO
C[N@@H+]1CCC[C@@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1	ZINC000072215308	257126687	/nfs/dbraw/zinc/12/66/87/257126687.db2.gz	GWCSBVCYCUIHJO-OAHLLOKOSA-N	1	0	317.433	3.752	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCC[NH2+]2)cn1)C1CC1	ZINC000072215335	257126712	/nfs/dbraw/zinc/12/67/12/257126712.db2.gz	AOQUQDNUUBTKBP-OAHLLOKOSA-N	1	0	317.433	3.800	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1	ZINC000100809754	563632554	/nfs/dbraw/zinc/63/25/54/563632554.db2.gz	IRDRDVLZZPOHHG-IYBDPMFKSA-N	1	0	310.482	3.992	40	0		DHABRO
Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4F)C3)nc2c1	ZINC000049169003	560085085	/nfs/dbraw/zinc/08/50/85/560085085.db2.gz	VJFHPDZZWSGWLH-ZDUSSCGKSA-N	1	0	313.351	3.831	40	0	biogenic,in-vitro	DHABRO
Cc1cc(C)c(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1	ZINC000035031454	563283470	/nfs/dbraw/zinc/28/34/70/563283470.db2.gz	XSNHSRSRUZLJLL-BZSNNMDCSA-N	1	0	305.462	3.614	40	0		DHABRO
CCCCNc1ccc(C(=O)OC2CC[NH+](C)CC2)c(Cl)c1	ZINC000001574098	563285565	/nfs/dbraw/zinc/28/55/65/563285565.db2.gz	WROMRZIXHGGSBM-UHFFFAOYSA-N	1	0	324.852	3.803	40	0		DHABRO
C[NH+](C)Cc1ccccc1COC(=O)c1ccc(Cl)cc1	ZINC000001716136	563293288	/nfs/dbraw/zinc/29/32/88/563293288.db2.gz	BRQNXDDCGGXZMM-UHFFFAOYSA-N	1	0	303.789	3.759	40	0		DHABRO
Cc1nn(C)cc1C[N@H+]1[C@@H]2CC[C@H]1CC(c1ccc(C)cc1)C2	ZINC000013227037	563380369	/nfs/dbraw/zinc/38/03/69/563380369.db2.gz	DGGYULLIRKRLLL-CTXDPNEZSA-N	1	0	309.457	3.948	40	0		DHABRO
Cc1ccc(C)c(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1	ZINC000046374515	563465353	/nfs/dbraw/zinc/46/53/53/563465353.db2.gz	CIEQDOWEXRTCDY-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
CC[C@H](OC[C@H](O)C[NH2+][C@H](C)c1ccccc1)c1ccccc1	ZINC000248261139	563480359	/nfs/dbraw/zinc/48/03/59/563480359.db2.gz	QPXDBTYBCYZQBM-AHRSYUTCSA-N	1	0	313.441	3.866	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2cccc(F)c2)CC1	ZINC000089212600	563484163	/nfs/dbraw/zinc/48/41/63/563484163.db2.gz	RDXZSTCRVXNTBC-UHFFFAOYSA-N	1	0	322.424	3.562	40	0		DHABRO
c1csc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1	ZINC000096056997	563532192	/nfs/dbraw/zinc/53/21/92/563532192.db2.gz	JHDIDDVJHZMBTB-QZTJIDSGSA-N	1	0	321.486	3.546	40	0		DHABRO
O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cccs2)N1c1ccccc1	ZINC000096056613	563532831	/nfs/dbraw/zinc/53/28/31/563532831.db2.gz	WANQPJFLRCYFPZ-IAGOWNOFSA-N	1	0	312.438	3.518	40	0		DHABRO
CO[C@@H]1CC[N@H+](Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1	ZINC000096110177	563533338	/nfs/dbraw/zinc/53/33/38/563533338.db2.gz	SFKXYWNJFIHWDZ-DLBZAZTESA-N	1	0	316.470	3.531	40	0		DHABRO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccoc3)C[C@@H]21	ZINC000096100668	563533559	/nfs/dbraw/zinc/53/35/59/563533559.db2.gz	PYHIBNAVBFIASU-UFYCRDLUSA-N	1	0	310.441	3.890	40	0		DHABRO
CC[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1	ZINC000096252220	563536174	/nfs/dbraw/zinc/53/61/74/563536174.db2.gz	KNPPUMQGRDGDBQ-VMZNBEPHSA-N	1	0	304.409	3.522	40	0		DHABRO
C[NH2+]C1CCC(Cc2cccc(-c3cnc4ccccn43)n2)CC1	ZINC000585263460	563537019	/nfs/dbraw/zinc/53/70/19/563537019.db2.gz	ZULYFUIYMDCCNY-UHFFFAOYSA-N	1	0	320.440	3.717	40	0		DHABRO
O[C@H]1[C@H](Oc2cccc(F)c2)CCC[C@@H]1[NH2+]CC1CCCCC1	ZINC000585289172	563542826	/nfs/dbraw/zinc/54/28/26/563542826.db2.gz	NHUWZGPOEOHYTA-IPMKNSEASA-N	1	0	321.436	3.656	40	0		DHABRO
CCOc1ccc2[nH]c(=O)c(C[NH2+][C@@H](C)c3ccccc3)cc2c1	ZINC000013998767	563549417	/nfs/dbraw/zinc/54/94/17/563549417.db2.gz	MFECMHKVFXZMHB-AWEZNQCLSA-N	1	0	322.408	3.778	40	0		DHABRO
CC(C)CC[NH2+][C@H]1CCC[C@@H](Oc2ccc(Cl)cc2)[C@@H]1O	ZINC000164192415	563615850	/nfs/dbraw/zinc/61/58/50/563615850.db2.gz	LLEKJEMHARAULF-GVDBMIGSSA-N	1	0	311.853	3.637	40	0		DHABRO
COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000008469119	563643504	/nfs/dbraw/zinc/64/35/04/563643504.db2.gz	RGUWNPWJCDVXSE-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
CCN(C(=O)c1ccc(F)cc1)[C@H]1C[N@H+](C)C2(C1)CCCCC2	ZINC000019695607	563672161	/nfs/dbraw/zinc/67/21/61/563672161.db2.gz	GSBYHCYWDRLEBU-QGZVFWFLSA-N	1	0	318.436	3.695	40	0		DHABRO
Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)o1	ZINC000049169931	563701033	/nfs/dbraw/zinc/70/10/33/563701033.db2.gz	CXUACMPDKVXMAX-INIZCTEOSA-N	1	0	323.396	3.936	40	0	biogenic,in-vitro	DHABRO
c1cncc(-c2nnc([C@H]3CC[N@@H+](CC4CCCCC4)C3)o2)c1	ZINC000049169653	563701152	/nfs/dbraw/zinc/70/11/52/563701152.db2.gz	MVUZBINHQKDTEX-INIZCTEOSA-N	1	0	312.417	3.501	40	0	biogenic,in-vitro	DHABRO
COC(=O)c1cccc2c(NCc3ccccc3)cc(C)nc12	ZINC000095951602	563703614	/nfs/dbraw/zinc/70/36/14/563703614.db2.gz	IFDMAACRTOXTGC-UHFFFAOYSA-N	1	0	306.365	3.942	40	0		DHABRO
COc1cc(C=O)ccc1OCCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217791105	563714783	/nfs/dbraw/zinc/71/47/83/563714783.db2.gz	FAIPTXGOFBMLBZ-GJZGRUSLSA-N	1	0	305.418	3.540	40	0		DHABRO
C[N@@H+]1CC[C@@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000248157145	563783030	/nfs/dbraw/zinc/78/30/30/563783030.db2.gz	VXWFTHKDKWPKSE-RTWAWAEBSA-N	1	0	324.443	3.674	40	0		DHABRO
Cc1csc(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)n1	ZINC000257232383	563791722	/nfs/dbraw/zinc/79/17/22/563791722.db2.gz	GKRGUGMRNJSHRG-AWEZNQCLSA-N	1	0	316.474	3.805	40	0		DHABRO
Cc1ncsc1C[N@@H+]1CCC[C@@H]1CCc1ccnc(C)c1	ZINC000257233992	563791774	/nfs/dbraw/zinc/79/17/74/563791774.db2.gz	GRPNZYDVAANDHC-MRXNPFEDSA-N	1	0	301.459	3.752	40	0		DHABRO
CCCn1ccnc1C[N@@H+]1CCC[C@@H]1CCc1ccnc(C)c1	ZINC000257258990	563792219	/nfs/dbraw/zinc/79/22/19/563792219.db2.gz	KWJPPPKZBRGREC-GOSISDBHSA-N	1	0	312.461	3.594	40	0		DHABRO
CCn1nccc1-c1ccc(C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257325588	563792503	/nfs/dbraw/zinc/79/25/03/563792503.db2.gz	WTPXZTFOZRQQMN-KRWDZBQOSA-N	1	0	312.461	3.628	40	0		DHABRO
Brc1ccc([C@@H]2C[C@H]2C[NH+]2CCSCC2)cc1	ZINC000575424331	563857164	/nfs/dbraw/zinc/85/71/64/563857164.db2.gz	ZFJMTEABFKBRAP-JSGCOSHPSA-N	1	0	312.276	3.601	40	0		DHABRO
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+](C(C)C)C(C)C	ZINC000035052952	563857875	/nfs/dbraw/zinc/85/78/75/563857875.db2.gz	FVWVHROWEIKEIH-WJFTUGDTSA-N	1	0	313.526	3.944	40	0		DHABRO
CCC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000036124359	563923147	/nfs/dbraw/zinc/92/31/47/563923147.db2.gz	RLOTWPNJUFZWDQ-HOTGVXAUSA-N	1	0	302.462	3.837	40	0		DHABRO
Cc1ccccc1O[C@H]1CCCC[C@@H]1N1CC[NH2+][C@@H]2CCC[C@@H]21	ZINC000225717938	563938408	/nfs/dbraw/zinc/93/84/08/563938408.db2.gz	FUJSTKVKXGEKGI-LXZJYRNTSA-N	1	0	314.473	3.511	40	0		DHABRO
CC(C)Nc1nc(N2Cc3ccccc3C[C@@H]2C)cc(C(C)C)[nH+]1	ZINC000329027807	563959616	/nfs/dbraw/zinc/95/96/16/563959616.db2.gz	PSYVOSMPGGTMEO-HNNXBMFYSA-N	1	0	324.472	4.372	40	0		DHABRO
CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC(C)C)[nH+]1	ZINC000329009028	563960346	/nfs/dbraw/zinc/96/03/46/563960346.db2.gz	LUTGNQSJIOMZCF-UHFFFAOYSA-N	1	0	324.472	4.201	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccc(Cl)cc2)CC1	ZINC000079033359	185147686	/nfs/dbraw/zinc/14/76/86/185147686.db2.gz	RFZDLGITJYKDKY-UHFFFAOYSA-N	1	0	310.825	3.525	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccc(Cl)cc2)CC1	ZINC000079033383	185147803	/nfs/dbraw/zinc/14/78/03/185147803.db2.gz	VFXCGUGIUJAHHL-UHFFFAOYSA-N	1	0	324.852	3.567	40	0		DHABRO
c1csc(CN2CCC[C@@H](C[NH2+]Cc3ccccc3)C2)c1	ZINC000082169985	185174275	/nfs/dbraw/zinc/17/42/75/185174275.db2.gz	RVZBMPXOBWFPHX-KRWDZBQOSA-N	1	0	300.471	3.750	40	0		DHABRO
Cc1ccc(Cn2c3ccc(Cl)cc3nc2CCC[NH3+])cc1	ZINC000071665950	191002396	/nfs/dbraw/zinc/00/23/96/191002396.db2.gz	TWNSVYNCALXYNF-UHFFFAOYSA-N	1	0	313.832	3.938	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)CC1	ZINC000142282149	186031731	/nfs/dbraw/zinc/03/17/31/186031731.db2.gz	OHLUWOBLCVPXBJ-WKILWMFISA-N	1	0	304.434	3.612	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1	ZINC000225579858	186279641	/nfs/dbraw/zinc/27/96/41/186279641.db2.gz	QTBIZHCIPOCXGR-MRXNPFEDSA-N	1	0	305.491	3.628	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(C)c1	ZINC000225579972	186279755	/nfs/dbraw/zinc/27/97/55/186279755.db2.gz	LWLLGEMVIBXQJX-KRWDZBQOSA-N	1	0	319.518	3.936	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1F	ZINC000225581340	186279995	/nfs/dbraw/zinc/27/99/95/186279995.db2.gz	SNAYEQBCNPZXHV-AWEZNQCLSA-N	1	0	323.481	3.767	40	0		DHABRO
Fc1cccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)c1	ZINC000072355496	191128832	/nfs/dbraw/zinc/12/88/32/191128832.db2.gz	BZYKBGZWFIIRAX-GOSISDBHSA-N	1	0	322.387	3.744	40	0		DHABRO
Cc1nccn1-c1cccc([C@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379133	191140382	/nfs/dbraw/zinc/14/03/82/191140382.db2.gz	SDWKIKQEGMFBBR-INIZCTEOSA-N	1	0	310.445	3.698	40	0		DHABRO
CC(=O)Nc1cccc(Oc2ccc([C@H]3CCCC[NH2+]3)cn2)c1	ZINC000072383142	191143834	/nfs/dbraw/zinc/14/38/34/191143834.db2.gz	DTFBAZMOIVTLJP-QGZVFWFLSA-N	1	0	311.385	3.647	40	0		DHABRO
COc1cc2cccnc2c(NCCC[NH2+]CC(C)(C)C)c1	ZINC000001687523	180888629	/nfs/dbraw/zinc/88/86/29/180888629.db2.gz	AMHNREKQEZWOAV-UHFFFAOYSA-N	1	0	301.434	3.681	40	0		DHABRO
CCC[NH2+]CCC[C@H](C)Nc1cc(OC)cc2cccnc21	ZINC000002042685	180907363	/nfs/dbraw/zinc/90/73/63/180907363.db2.gz	OBQPWUVTUAUJNI-AWEZNQCLSA-N	1	0	301.434	3.824	40	0		DHABRO
CCOC(=O)[C@@H]1C[NH2+][C@H](c2ccccc2)C[C@@H]1c1ccccc1	ZINC000003845404	181048732	/nfs/dbraw/zinc/04/87/32/181048732.db2.gz	VRGSYPCBWQRFQZ-QRVBRYPASA-N	1	0	309.409	3.684	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1	ZINC000004183209	181082764	/nfs/dbraw/zinc/08/27/64/181082764.db2.gz	SLJQCXKWMCDIOX-QXDIGNSFSA-N	1	0	311.510	3.557	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)N(Cc2ccccc2)Cc2ccccc2)C1	ZINC000073414523	191313397	/nfs/dbraw/zinc/31/33/97/191313397.db2.gz	OAAQBJMVTCBKBU-HXUWFJFHSA-N	1	0	322.452	3.557	40	0		DHABRO
CCCOc1cc(C)c(C(=O)O[C@H](C)C[NH+]2CCCC2)c(C)c1	ZINC000005560736	181257746	/nfs/dbraw/zinc/25/77/46/181257746.db2.gz	ZVYFJIBPPYCIQV-MRXNPFEDSA-N	1	0	319.445	3.733	40	0		DHABRO
Cc1ncc([C@H](O)c2cccc(Cl)c2)n1Cc1ccccc1	ZINC000005504226	181250600	/nfs/dbraw/zinc/25/06/00/181250600.db2.gz	CSKXPFXFIQQXMA-GOSISDBHSA-N	1	0	312.800	3.975	40	0		DHABRO
CCOCC[N@H+](CC)[C@@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000005699558	181274004	/nfs/dbraw/zinc/27/40/04/181274004.db2.gz	AYGOMERSBRPVHA-VQTJNVASSA-N	1	0	313.441	3.820	40	0		DHABRO
O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCCCC1	ZINC000006057589	181309112	/nfs/dbraw/zinc/30/91/12/181309112.db2.gz	RTHOQIWWCLPWCS-CYBMUJFWSA-N	1	0	318.244	3.609	40	0		DHABRO
CC[C@H](OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1	ZINC000006355969	181333648	/nfs/dbraw/zinc/33/36/48/181333648.db2.gz	FWILNCFMKJDLDO-NBMJBFSESA-N	1	0	305.462	3.778	40	0		DHABRO
CC[NH+](CC)C[C@H](Cc1ccccc1)OC(=O)c1ccccc1	ZINC000006382455	181335861	/nfs/dbraw/zinc/33/58/61/181335861.db2.gz	DKBDJHZDEDMZPN-IBGZPJMESA-N	1	0	311.425	3.797	40	0		DHABRO
C[NH+](C)CC[C@@H](CCc1ccccc1)OC(=O)c1ccccc1	ZINC000006437060	181341651	/nfs/dbraw/zinc/34/16/51/181341651.db2.gz	CURSGSSOOSTNLO-LJQANCHMSA-N	1	0	311.425	3.797	40	0		DHABRO
O=C(O[C@@H](C[n+]1ccccc1)c1ccccc1)c1ccccc1	ZINC000006582110	181357143	/nfs/dbraw/zinc/35/71/43/181357143.db2.gz	IIKPBJBYHAJMJY-IBGZPJMESA-N	1	0	304.369	3.572	40	0		DHABRO
CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1OC1CCCC1	ZINC000225158053	201689100	/nfs/dbraw/zinc/68/91/00/201689100.db2.gz	AWPLRKNXUDOROE-KRWDZBQOSA-N	1	0	319.445	3.675	40	0		DHABRO
CCn1c(C)[n+](CC)c2cc(C(=O)N(C)c3ccccc3)ccc21	ZINC000015961544	182026375	/nfs/dbraw/zinc/02/63/75/182026375.db2.gz	VXROWYOVUHDQHP-UHFFFAOYSA-N	1	0	322.432	3.554	40	0		DHABRO
Fc1ccccc1COc1ccccc1C[NH2+]C[C@@H]1CCCO1	ZINC000016449644	182044876	/nfs/dbraw/zinc/04/48/76/182044876.db2.gz	JJTVJSAJGMMLAR-KRWDZBQOSA-N	1	0	315.388	3.673	40	0		DHABRO
O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)OCc1ccccc1	ZINC000016696980	182058389	/nfs/dbraw/zinc/05/83/89/182058389.db2.gz	KMIYYGARLIZKPI-LJQANCHMSA-N	1	0	324.424	3.577	40	0		DHABRO
C[C@@H]1C[NH+](CCCn2c3ccccc3c3ccccc32)C[C@@H](C)N1	ZINC000019362655	182119283	/nfs/dbraw/zinc/11/92/83/182119283.db2.gz	GUDVQJXODNJRIJ-IAGOWNOFSA-N	1	0	321.468	3.867	40	0	in-vitro	DHABRO
COc1ccccc1[C@H]1CCC[N@@H+]1Cc1c(C)nc2ccccn21	ZINC000019654484	182134109	/nfs/dbraw/zinc/13/41/09/182134109.db2.gz	XIVDCLZNBKRODR-QGZVFWFLSA-N	1	0	321.424	3.988	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1CN(CCc1ccccc1)Cc1ccncc1	ZINC000022913847	182340350	/nfs/dbraw/zinc/34/03/50/182340350.db2.gz	ZHTZVUMYEBHYFL-OAQYLSRUSA-N	1	0	323.484	3.611	40	0		DHABRO
CN(Cc1ccccc1)c1ccc([C@H]([NH3+])c2ccccc2)cn1	ZINC000072225377	257123521	/nfs/dbraw/zinc/12/35/21/257123521.db2.gz	AOCQHALEMZLCDK-HXUWFJFHSA-N	1	0	303.409	3.766	40	0		DHABRO
CNc1ncc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cc1C	ZINC000072219008	257124346	/nfs/dbraw/zinc/12/43/46/257124346.db2.gz	PAPYIOYNNYUPJJ-AWEZNQCLSA-N	1	0	305.422	3.894	40	0		DHABRO
C[N@@H+]1CCC[C@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1	ZINC000072215367	257125957	/nfs/dbraw/zinc/12/59/57/257125957.db2.gz	CYRMQZWQBXZVQE-HNNXBMFYSA-N	1	0	317.433	3.752	40	0		DHABRO
O=C(OCc1ccccc1)N1c2ccccc2CC12CC[NH2+]CC2	ZINC000521396038	336277966	/nfs/dbraw/zinc/27/79/66/336277966.db2.gz	KBGPCVZEEHMKGQ-UHFFFAOYSA-N	1	0	322.408	3.508	40	0		DHABRO
COc1cc(CC[NH2+]Cc2ccccc2F)c(OC)cc1Cl	ZINC000299817076	533767083	/nfs/dbraw/zinc/76/70/83/533767083.db2.gz	AHIUIEOLKNDLSC-UHFFFAOYSA-N	1	0	323.795	3.829	40	0	in-vitro	DHABRO
CC(C)c1ccc(OC[C@@H](O)C[N@H+](C)C2CCCCC2)cc1	ZINC000001475496	563284105	/nfs/dbraw/zinc/28/41/05/563284105.db2.gz	WYGPQADPOSNBCU-SFHVURJKSA-N	1	0	305.462	3.814	40	0		DHABRO
CC[C@@H](C)[N@@H+](CCCOC(=O)c1ccc(N)cc1)[C@@H](C)CC	ZINC000001610524	563287555	/nfs/dbraw/zinc/28/75/55/563287555.db2.gz	QWFIELFCSSOVDP-GASCZTMLSA-N	1	0	306.450	3.715	40	0		DHABRO
CC[NH+](CC)CCCNc1ncc(C)c2nc3cc[nH]cc-3c21	ZINC000001618132	563287806	/nfs/dbraw/zinc/28/78/06/563287806.db2.gz	CQXVVSCTWVUGNF-UHFFFAOYSA-N	1	0	311.433	3.563	40	0		DHABRO
CC[C@@H](C)[N@H+](CC)CCNc1cc(OC)cc2cccnc21	ZINC000001656137	563289316	/nfs/dbraw/zinc/28/93/16/563289316.db2.gz	REHJMUQQXLLGHV-CQSZACIVSA-N	1	0	301.434	3.776	40	0		DHABRO
CC[NH+](CC)C[C@@H](Cc1ccccc1)OC(=O)c1ccccc1	ZINC000001672769	563290667	/nfs/dbraw/zinc/29/06/67/563290667.db2.gz	DKBDJHZDEDMZPN-LJQANCHMSA-N	1	0	311.425	3.797	40	0		DHABRO
Fc1ccc(C2([NH+]3CCC4(CC3)OCCO4)CCCCC2)cc1	ZINC000001688550	563291417	/nfs/dbraw/zinc/29/14/17/563291417.db2.gz	YJZBIKKKRXJYEY-UHFFFAOYSA-N	1	0	319.420	3.824	40	0		DHABRO
CC(C)CC(CC(C)C)[NH2+][C@H](C)COC(=O)c1ccc(N)cc1	ZINC000001709192	563292627	/nfs/dbraw/zinc/29/26/27/563292627.db2.gz	UXJPPXNITUCBKJ-OAHLLOKOSA-N	1	0	320.477	3.865	40	0		DHABRO
CN(C)c1ccc(C(=O)OCCCC[NH2+]C2CCCCC2)cc1	ZINC000001710565	563292771	/nfs/dbraw/zinc/29/27/71/563292771.db2.gz	IXSLOYPRMBUOQD-UHFFFAOYSA-N	1	0	318.461	3.612	40	0		DHABRO
O=C(OCC[NH+]1CCCC1)[C@H](c1ccccc1)[C@H]1C=CCCC1	ZINC000001712584	563293167	/nfs/dbraw/zinc/29/31/67/563293167.db2.gz	WBSQBCKCXJYLSQ-RBUKOAKNSA-N	1	0	313.441	3.766	40	0		DHABRO
CC[C@@H](C)[C@@H](C(=O)OC1CC[NH+](CC)CC1)c1ccccc1	ZINC000001726500	563293981	/nfs/dbraw/zinc/29/39/81/563293981.db2.gz	UBWAHRVZHIOXEQ-CRAIPNDOSA-N	1	0	303.446	3.844	40	0		DHABRO
O=C(NCc1ccccc1C[NH+]1CCCCC1)C1CCCCC1	ZINC000007849899	563342792	/nfs/dbraw/zinc/34/27/92/563342792.db2.gz	ZEDJRHFAMRFHGY-UHFFFAOYSA-N	1	0	314.473	3.869	40	0		DHABRO
CN(Cc1ccccc1)C(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010337502	563356303	/nfs/dbraw/zinc/35/63/03/563356303.db2.gz	AWZAMUFOUDDJMG-UHFFFAOYSA-N	1	0	308.425	3.555	40	0		DHABRO
COc1cccc(Cn2c(C3CC[NH2+]CC3)cc3cccnc32)c1	ZINC000012222686	563364614	/nfs/dbraw/zinc/36/46/14/563364614.db2.gz	ZNLIOCMWRJBZGB-UHFFFAOYSA-N	1	0	321.424	3.560	40	0		DHABRO
CC(C)c1ccc(CCC(=O)NCCC[NH+]2CCCCC2)cc1	ZINC000013668375	563384899	/nfs/dbraw/zinc/38/48/99/563384899.db2.gz	SKIFUURQSDKTOV-UHFFFAOYSA-N	1	0	316.489	3.735	40	0		DHABRO
CN(C)CC[NH+]1C[C@@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12	ZINC000022585506	563419018	/nfs/dbraw/zinc/41/90/18/563419018.db2.gz	FXNFBJIRFUKCIC-MUGJNUQGSA-N	1	0	302.506	3.787	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000033546173	563480132	/nfs/dbraw/zinc/48/01/32/563480132.db2.gz	ZIFHGHPZOZPZEN-GPMSIDNRSA-N	1	0	313.441	3.557	40	0		DHABRO
C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2	ZINC000585100615	563516635	/nfs/dbraw/zinc/51/66/35/563516635.db2.gz	QASWQTOAYJNRLG-QGZVFWFLSA-N	1	0	324.827	3.570	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1ccsc1)CC2	ZINC000585105223	563517105	/nfs/dbraw/zinc/51/71/05/563517105.db2.gz	QVCPRTOVKITGNS-INIZCTEOSA-N	1	0	309.475	3.546	40	0		DHABRO
C[C@@H]([NH2+][C@H]1COCC[C@@]1(O)/C=C/c1ccccc1)c1ccccc1	ZINC000095951576	563531270	/nfs/dbraw/zinc/53/12/70/563531270.db2.gz	SRTUKJZRWWXNMC-RDMFCOIFSA-N	1	0	323.436	3.571	40	0		DHABRO
c1ccc([C@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cc1	ZINC000096073458	563533577	/nfs/dbraw/zinc/53/35/77/563533577.db2.gz	QJMNXUCVMXNXRP-WOJBJXKFSA-N	1	0	308.425	3.620	40	0		DHABRO
Cc1ccc(CN2CCC[C@@]3(CC[N@H+](Cc4ccco4)C3)C2)o1	ZINC000096215869	563535736	/nfs/dbraw/zinc/53/57/36/563535736.db2.gz	JYTDMDGMDZPZMS-LJQANCHMSA-N	1	0	314.429	3.669	40	0		DHABRO
CC(C)[N@H+](C)Cc1cncc2c1CCN(Cc1cccs1)C2	ZINC000096189463	563535785	/nfs/dbraw/zinc/53/57/85/563535785.db2.gz	UVZMKQVQUJGSBY-UHFFFAOYSA-N	1	0	315.486	3.542	40	0		DHABRO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(C(=O)c3ccco3)C[C@@H]21	ZINC000096251698	563536140	/nfs/dbraw/zinc/53/61/40/563536140.db2.gz	QZUYAYWAOMDRRT-LNLFQRSKSA-N	1	0	324.424	3.530	40	0		DHABRO
Cc1nc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3OCC(C)C)cs1	ZINC000096252713	563536512	/nfs/dbraw/zinc/53/65/12/563536512.db2.gz	MAAXRXITVLCTCI-FKEKPDDDSA-N	1	0	308.491	3.725	40	0		DHABRO
Clc1ccc2ncc(-c3cccc([C@H]4CCC[NH2+]C4)n3)n2c1	ZINC000585262908	563537021	/nfs/dbraw/zinc/53/70/21/563537021.db2.gz	DDUBMHGIDJINBH-LBPRGKRZSA-N	1	0	312.804	3.517	40	0		DHABRO
CCn1c(C)[n+](CC)c2cc(C(=O)Nc3ccccc3)ccc21	ZINC000000243478	563606966	/nfs/dbraw/zinc/60/69/66/563606966.db2.gz	USQRPZWVIROVMA-UHFFFAOYSA-O	1	0	308.405	3.529	40	0		DHABRO
c1ccc(COc2ccc(C[NH2+]Cc3ccncc3)cc2)cc1	ZINC000008436057	563643543	/nfs/dbraw/zinc/64/35/43/563643543.db2.gz	QVDMIJNZTZKLPP-UHFFFAOYSA-N	1	0	304.393	3.950	40	0		DHABRO
Cc1ccc2cc(C[NH2+]CCc3ccc(F)cc3)c(=O)[nH]c2c1C	ZINC000013566550	563660415	/nfs/dbraw/zinc/66/04/15/563660415.db2.gz	DCRZMQBMTMBLKA-UHFFFAOYSA-N	1	0	324.399	3.616	40	0		DHABRO
Fc1ccc2[nH]c([C@H]3CC[N@H+](Cc4cccs4)C3)nc2c1	ZINC000049169018	563700885	/nfs/dbraw/zinc/70/08/85/563700885.db2.gz	NQNSMTDJAXOAPR-NSHDSACASA-N	1	0	301.390	3.753	40	0	biogenic,in-vitro	DHABRO
c1ccc(Cc2nnc([C@H]3CC[N@@H+](C4CCCCC4)C3)o2)cc1	ZINC000049169818	563700900	/nfs/dbraw/zinc/70/09/00/563700900.db2.gz	BHUJNVNGMNCNMN-INIZCTEOSA-N	1	0	311.429	3.782	40	0	biogenic,in-vitro	DHABRO
COCCC[NH2+]Cc1cc(C)n(Cc2cccc(C)c2)c1C	ZINC000223663150	563735096	/nfs/dbraw/zinc/73/50/96/563735096.db2.gz	AIOQWQGAOKXUJO-UHFFFAOYSA-N	1	0	300.446	3.588	40	0		DHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1cccs1	ZINC000224646636	563743067	/nfs/dbraw/zinc/74/30/67/563743067.db2.gz	ACWVQEIRGPOFTP-UHFFFAOYSA-N	1	0	314.454	3.664	40	0		DHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)Nc1ccccc1	ZINC000224644143	563743408	/nfs/dbraw/zinc/74/34/08/563743408.db2.gz	MKMKQOSTZMULDO-UHFFFAOYSA-N	1	0	323.440	3.994	40	0		DHABRO
Fc1cc(F)cc(CN2CCC[C@@H]2c2cccc3nccn32)c1	ZINC000257229787	563790859	/nfs/dbraw/zinc/79/08/59/563790859.db2.gz	FZMBBQLIDXEKTB-MRXNPFEDSA-N	1	0	313.351	3.950	40	0		DHABRO
c1ccc(CO[C@@H]2C[C@H]3C[N@H+](Cc4cccnc4)C[C@H]3C2)cc1	ZINC000257241573	563791650	/nfs/dbraw/zinc/79/16/50/563791650.db2.gz	HYOXSTKPSGLMMS-PMOLBWCYSA-N	1	0	308.425	3.509	40	0		DHABRO
Cc1ccc2nc(-c3ccc(Br)cc3)c(C[NH3+])n2c1	ZINC000002510966	563913763	/nfs/dbraw/zinc/91/37/63/563913763.db2.gz	HCJXWELLBLYABJ-UHFFFAOYSA-N	1	0	316.202	3.531	40	0		DHABRO
Cc1cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc(C)c1OC(C)C	ZINC000095095384	563930933	/nfs/dbraw/zinc/93/09/33/563930933.db2.gz	WRNRVRFRJWQOEZ-AWEZNQCLSA-N	1	0	315.417	3.608	40	0		DHABRO
CC[C@H](C)Nc1nc(N2Cc3ccccc3CC2(C)C)cc(C)[nH+]1	ZINC000329001496	563960338	/nfs/dbraw/zinc/96/03/38/563960338.db2.gz	KEXMFAHBJDOSOW-AWEZNQCLSA-N	1	0	324.472	4.337	40	0		DHABRO
COc1cccc(CC[NH2+]Cc2cc(C3CC3)nn2C(C)C)c1	ZINC000256049460	1024640966	/nfs/dbraw/zinc/64/09/66/1024640966.db2.gz	AAFOAYUBEICIFZ-UHFFFAOYSA-N	1	0	313.445	3.682	40	0		DHABRO
C[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1	ZINC000079438543	185171414	/nfs/dbraw/zinc/17/14/14/185171414.db2.gz	CPRORZXBJYSPNC-CABCVRRESA-N	1	0	319.449	3.522	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)C1	ZINC000082336884	185176332	/nfs/dbraw/zinc/17/63/32/185176332.db2.gz	XBXBPBIKAVKZHD-OAHLLOKOSA-N	1	0	310.397	3.759	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4ccncc4)o3)C2)cc1	ZINC000072389944	191148278	/nfs/dbraw/zinc/14/82/78/191148278.db2.gz	JPYKQRSWPVYZQC-QGZVFWFLSA-N	1	0	320.396	3.511	40	0		DHABRO
C[C@@H]1C[N@@H+](Cc2c3cccnc3[nH]c2C2CCCC2)C[C@H](C)O1	ZINC000072393346	191149397	/nfs/dbraw/zinc/14/93/97/191149397.db2.gz	LCESVPMCNCNJJM-OKILXGFUSA-N	1	0	313.445	3.830	40	0		DHABRO
CC[C@H](COC(=O)c1ccc(N(C)C)cc1)[NH2+]C1CCCCC1	ZINC000001710562	180890473	/nfs/dbraw/zinc/89/04/73/180890473.db2.gz	DSUZCUIWCYBBTC-MRXNPFEDSA-N	1	0	318.461	3.610	40	0		DHABRO
NC(=[NH2+])SCc1cccc2c(=O)cc(-c3ccccc3)oc12	ZINC000003954531	181058994	/nfs/dbraw/zinc/05/89/94/181058994.db2.gz	GMHJYNAZNWGOAK-UHFFFAOYSA-N	1	0	310.378	3.587	40	0	in-vitro	DHABRO
CC(C)c1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1	ZINC000004164580	181080347	/nfs/dbraw/zinc/08/03/47/181080347.db2.gz	JQKCVMHFHDPFRO-BQFCYCMXSA-N	1	0	305.462	3.813	40	0		DHABRO
Cc1cc(C)c(C)c(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1	ZINC000004305132	181095358	/nfs/dbraw/zinc/09/53/58/181095358.db2.gz	OVTQEYBWPTYCTQ-BQFCYCMXSA-N	1	0	305.462	3.614	40	0		DHABRO
C[C@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)[NH+]1CCCC1	ZINC000004411192	181107711	/nfs/dbraw/zinc/10/77/11/181107711.db2.gz	XMEWHLNQVHUJQI-XWSJACJDSA-N	1	0	317.473	3.953	40	0		DHABRO
COc1ccc(OC)c(/C=C\c2sc3ccccc3[n+]2C)c1	ZINC000004887611	181168535	/nfs/dbraw/zinc/16/85/35/181168535.db2.gz	AJYDVCNKVYLAFH-FLIBITNWSA-N	1	0	312.414	3.913	40	0		DHABRO
C[N@H+]1CC=C(c2nc3ccc(Br)cc3s2)CC1	ZINC000073638876	191333867	/nfs/dbraw/zinc/33/38/67/191333867.db2.gz	RTLVLAZGSRAEDQ-UHFFFAOYSA-N	1	0	309.232	3.778	40	0		DHABRO
C[C@H]1C[C@@H](OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)CC(C)(C)C1	ZINC000005559734	181257487	/nfs/dbraw/zinc/25/74/87/181257487.db2.gz	FWSHCMODWGVIGW-IECFSIQFSA-N	1	0	311.510	3.842	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1	ZINC000089212725	192742415	/nfs/dbraw/zinc/74/24/15/192742415.db2.gz	JCZZTXLCIZXOCS-OAHLLOKOSA-N	1	0	322.424	3.562	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006355914	181333813	/nfs/dbraw/zinc/33/38/13/181333813.db2.gz	JMGJDVRKPVEILW-XDNAFOTISA-N	1	0	319.489	3.918	40	0		DHABRO
CC(C)C[N@@H+]1CC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1	ZINC000257220035	202953570	/nfs/dbraw/zinc/95/35/70/202953570.db2.gz	DJGBQRUVMVYIIN-OAHLLOKOSA-N	1	0	302.393	3.850	40	0		DHABRO
c1csc(C[C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n1	ZINC000257301107	203026427	/nfs/dbraw/zinc/02/64/27/203026427.db2.gz	RXAGYVQUHXDIOI-HNNXBMFYSA-N	1	0	309.438	3.756	40	0		DHABRO
Cc1ncsc1C[N@@H+]1CCC[C@H](Cc2cccc(C)n2)C1	ZINC000257277373	203006807	/nfs/dbraw/zinc/00/68/07/203006807.db2.gz	NXSOXVHHAKFKJN-OAHLLOKOSA-N	1	0	301.459	3.610	40	0		DHABRO
Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1	ZINC000257344343	203067446	/nfs/dbraw/zinc/06/74/46/203067446.db2.gz	ZWTWHLBKUUWMAD-QGZVFWFLSA-N	1	0	306.413	3.646	40	0		DHABRO
CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OC	ZINC000008324698	181548025	/nfs/dbraw/zinc/54/80/25/181548025.db2.gz	SJVXOSFJBMPSPT-UHFFFAOYSA-N	1	0	303.377	3.565	40	0		DHABRO
C[C@H]1CCCC[C@@H]1[NH+]1CCN(CCCc2ccccc2)CC1	ZINC000019362414	182119132	/nfs/dbraw/zinc/11/91/32/182119132.db2.gz	ZZAVOYQAGLDQDC-ICSRJNTNSA-N	1	0	300.490	3.816	40	0		DHABRO
O=C(c1ccc(F)cc1)N1CCC(c2cc3c[nH+]ccc3[nH]2)CC1	ZINC000019331937	182116431	/nfs/dbraw/zinc/11/64/31/182116431.db2.gz	IDYJMJVUSFQEFW-UHFFFAOYSA-N	1	0	323.371	3.722	40	0		DHABRO
COc1cccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1	ZINC000019565156	182130378	/nfs/dbraw/zinc/13/03/78/182130378.db2.gz	PKEIYCPMEZLRHG-QGZVFWFLSA-N	1	0	321.424	3.951	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2cccnc2)c1	ZINC000019565989	182130418	/nfs/dbraw/zinc/13/04/18/182130418.db2.gz	XAGFKPXRNZMYRL-FUHIMQAGSA-N	1	0	324.424	3.522	40	0		DHABRO
Cc1cc(C)n(C2CC[NH+](Cc3ccc4ccccc4n3)CC2)n1	ZINC000019656879	182134265	/nfs/dbraw/zinc/13/42/65/182134265.db2.gz	VXULGSQUPDZVRF-UHFFFAOYSA-N	1	0	320.440	3.885	40	0		DHABRO
CC1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1	ZINC000020460175	182220093	/nfs/dbraw/zinc/22/00/93/182220093.db2.gz	FIOGAAMSEWNEHT-QGZVFWFLSA-N	1	0	314.473	3.791	40	0		DHABRO
CN(C)CC[NH2+]Cc1cccc(OCc2ccc(Cl)cc2)c1	ZINC000022075456	182307631	/nfs/dbraw/zinc/30/76/31/182307631.db2.gz	AHQQALWBMMTJDF-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
Cc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038833154	183010847	/nfs/dbraw/zinc/01/08/47/183010847.db2.gz	NIMNESAALLKLFC-GOSISDBHSA-N	1	0	308.425	3.846	40	0		DHABRO
Cc1cccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)c1	ZINC000039757227	183021464	/nfs/dbraw/zinc/02/14/64/183021464.db2.gz	ZUHHMXIMIJBRNJ-UHFFFAOYSA-N	1	0	314.473	3.610	40	0		DHABRO
Cc1ccsc1C[N@H+](CCCO)Cc1ccc(F)c(F)c1	ZINC000057822648	184055222	/nfs/dbraw/zinc/05/52/22/184055222.db2.gz	VQHZPDBZKQJAMC-UHFFFAOYSA-N	1	0	311.397	3.719	40	0		DHABRO
c1csc(CN2CCC[C@H](C[NH2+]Cc3ccccc3)C2)c1	ZINC000064616034	184301480	/nfs/dbraw/zinc/30/14/80/184301480.db2.gz	RVZBMPXOBWFPHX-QGZVFWFLSA-N	1	0	300.471	3.750	40	0		DHABRO
Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1SC(C)(C)C	ZINC000072223719	257123378	/nfs/dbraw/zinc/12/33/78/257123378.db2.gz	KFXKVALXUXVQSB-UHFFFAOYSA-N	1	0	307.507	3.811	40	0		DHABRO
CNc1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)c(C)n1	ZINC000072219129	257124064	/nfs/dbraw/zinc/12/40/64/257124064.db2.gz	GBXGTIRNLURGME-CQSZACIVSA-N	1	0	305.422	3.894	40	0		DHABRO
CNc1cc(C)c([C@@H]2CCCCN2C(=O)c2ccccc2)cn1	ZINC000072219076	257124116	/nfs/dbraw/zinc/12/41/16/257124116.db2.gz	SCZIQFVOIDVIMP-KRWDZBQOSA-N	1	0	309.413	3.799	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCC[NH2+]1)C1CC1	ZINC000072215395	257125892	/nfs/dbraw/zinc/12/58/92/257125892.db2.gz	INBLUKWKLVJCOR-OAHLLOKOSA-N	1	0	317.433	3.800	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[NH2+]2)cn1	ZINC000072214630	257126331	/nfs/dbraw/zinc/12/63/31/257126331.db2.gz	MAVXDAVVUBXLQX-AWEZNQCLSA-N	1	0	305.422	3.658	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[NH2+]1	ZINC000072214811	257126660	/nfs/dbraw/zinc/12/66/60/257126660.db2.gz	SMFZVSCHKJXFML-CQSZACIVSA-N	1	0	305.422	3.658	40	0		DHABRO
CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1	ZINC000072209123	257128082	/nfs/dbraw/zinc/12/80/82/257128082.db2.gz	SGYQSZMFUVRBHA-LBPRGKRZSA-N	1	0	307.781	3.603	40	0		DHABRO
O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@H](O)c2ccccc2)[NH2+]1	ZINC000071775437	257217289	/nfs/dbraw/zinc/21/72/89/257217289.db2.gz	CNWKJIFYKGLTLI-OTWHNJEPSA-N	1	0	309.409	3.504	40	0		DHABRO
O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)[NH2+]1	ZINC000071775439	257217344	/nfs/dbraw/zinc/21/73/44/257217344.db2.gz	CNWKJIFYKGLTLI-QRVBRYPASA-N	1	0	309.409	3.504	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2ccccc2C)CC1	ZINC000039758201	257217555	/nfs/dbraw/zinc/21/75/55/257217555.db2.gz	GFLTWSBGBOLGST-UHFFFAOYSA-N	1	0	302.462	3.513	40	0		DHABRO
C[C@@H](c1ccc(Cl)cc1)N(CC[NH+](C)C)c1ccccn1	ZINC000001587109	563286108	/nfs/dbraw/zinc/28/61/08/563286108.db2.gz	VNOZVPYTFVZKPD-AWEZNQCLSA-N	1	0	303.837	3.864	40	0		DHABRO
C[NH+](C)CC[C@@H]1c2ccc(Cl)cc2CCc2cccnc21	ZINC000000000179	563211156	/nfs/dbraw/zinc/21/11/56/563211156.db2.gz	BYUAWKXUYPHXSR-QGZVFWFLSA-N	1	0	300.833	3.917	40	0	in-man	DHABRO
CCCCCC[C@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12	ZINC000001593760	563286914	/nfs/dbraw/zinc/28/69/14/563286914.db2.gz	HOLOTOVVMVTVKM-INIZCTEOSA-N	1	0	316.445	3.664	40	0		DHABRO
C[C@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001698654	563291922	/nfs/dbraw/zinc/29/19/22/563291922.db2.gz	YIVFNVSKOBCLBC-BEFAXECRSA-N	1	0	317.860	3.968	40	0		DHABRO
C[C@@H](C[NH+](C)C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001698655	563292028	/nfs/dbraw/zinc/29/20/28/563292028.db2.gz	YIVFNVSKOBCLBC-HNAYVOBHSA-N	1	0	317.860	3.968	40	0		DHABRO
C[NH+](C)CCOc1c(Cc2ccccc2)ccc2cccnc21	ZINC000001700028	563292038	/nfs/dbraw/zinc/29/20/38/563292038.db2.gz	OCXUKPCGMRQVOM-UHFFFAOYSA-N	1	0	306.409	3.766	40	0		DHABRO
C[C@@H](C[NH+]1CCCC1)[C@@](O)(Cc1ccccc1)c1ccccc1	ZINC000001726851	563293909	/nfs/dbraw/zinc/29/39/09/563293909.db2.gz	HAHXIOSXBVTRRT-RXVVDRJESA-N	1	0	309.453	3.849	40	0		DHABRO
CC[NH2+][C@H](CC)CCCNc1cc(OC)cc2cccnc21	ZINC000001873648	563297239	/nfs/dbraw/zinc/29/72/39/563297239.db2.gz	AUKDLGJCMQVKGJ-OAHLLOKOSA-N	1	0	301.434	3.824	40	0		DHABRO
CCOCCC[NH2+]Cc1cccc(OCc2ccccc2F)c1	ZINC000008253198	563345402	/nfs/dbraw/zinc/34/54/02/563345402.db2.gz	PABITTPRWZVEHF-UHFFFAOYSA-N	1	0	317.404	3.921	40	0		DHABRO
C[NH2+]CCCNCc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000008377155	563346327	/nfs/dbraw/zinc/34/63/27/563346327.db2.gz	DEKFWDOZRPDKKA-UHFFFAOYSA-N	1	0	313.228	3.953	40	0		DHABRO
Fc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccncc2)cc1	ZINC000012085368	563361962	/nfs/dbraw/zinc/36/19/62/563361962.db2.gz	VQWMKTDYCZUVSX-HHXXYDBFSA-N	1	0	312.388	3.653	40	0		DHABRO
Cc1nn(Cc2ccccc2)c(C)c1/C=C/C1=CC[N@H+](C)CC1	ZINC000012143034	563362550	/nfs/dbraw/zinc/36/25/50/563362550.db2.gz	YMOJNDNHENSGAV-MDZDMXLPSA-N	1	0	307.441	3.823	40	0		DHABRO
Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccnc2ccccc12	ZINC000012143989	563363191	/nfs/dbraw/zinc/36/31/91/563363191.db2.gz	JFJSCFXWVWMKMH-MGPUTAFESA-N	1	0	316.408	3.595	40	0		DHABRO
Cc1nn(C(C)C)c(C)c1C[N@H+](C)CCOc1ccccc1	ZINC000012188748	563363648	/nfs/dbraw/zinc/36/36/48/563363648.db2.gz	KWEBWTBFVPANRP-UHFFFAOYSA-N	1	0	301.434	3.592	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2-c2ccncc2)C1	ZINC000012222023	563364569	/nfs/dbraw/zinc/36/45/69/563364569.db2.gz	OSQQIODKZFQJED-AWEZNQCLSA-N	1	0	306.413	3.857	40	0		DHABRO
CN(C)CC[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CCCCC1=C1CCCC[C@@H]12	ZINC000022585502	563419149	/nfs/dbraw/zinc/41/91/49/563419149.db2.gz	FXNFBJIRFUKCIC-YRPNKDGESA-N	1	0	302.506	3.787	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000248188922	563479993	/nfs/dbraw/zinc/47/99/93/563479993.db2.gz	JMGJDVRKPVEILW-XLAORIBOSA-N	1	0	319.489	3.918	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccccc2F)CC1	ZINC000089212597	563484657	/nfs/dbraw/zinc/48/46/57/563484657.db2.gz	QRRAXGTXVFYGOB-UHFFFAOYSA-N	1	0	322.424	3.562	40	0		DHABRO
COc1ccc([C@H]2[C@@H]3CCCC[C@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1	ZINC000257367422	563515132	/nfs/dbraw/zinc/51/51/32/563515132.db2.gz	PKRIDGKYLLMKGD-SBUWESJJSA-N	1	0	315.457	3.594	40	0		DHABRO
COCC[C@H]1Cn2cccc2C[N@H+](Cc2ccc(C)s2)C1	ZINC000585094660	563515869	/nfs/dbraw/zinc/51/58/69/563515869.db2.gz	RVEOTJGUXUKPEF-OAHLLOKOSA-N	1	0	304.459	3.527	40	0		DHABRO
COCC[C@@H]1Cn2cccc2C[N@H+](Cc2sccc2C)C1	ZINC000585095465	563516024	/nfs/dbraw/zinc/51/60/24/563516024.db2.gz	SEPKWYMQIPMNMZ-HNNXBMFYSA-N	1	0	304.459	3.527	40	0		DHABRO
CC[C@H](C)[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100193	563517066	/nfs/dbraw/zinc/51/70/66/563517066.db2.gz	HLMHPFIYXBXSAN-FXAWDEMLSA-N	1	0	314.473	3.832	40	0		DHABRO
CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccccn2)[C@H]1Cc1ccccc1	ZINC000096061666	563532058	/nfs/dbraw/zinc/53/20/58/563532058.db2.gz	VVGIGOHBWBRPNS-RTWAWAEBSA-N	1	0	323.484	3.607	40	0		DHABRO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccccn3)C[C@@H]21	ZINC000096058324	563532312	/nfs/dbraw/zinc/53/23/12/563532312.db2.gz	BJZHWWAUOXWVNP-ACRUOGEOSA-N	1	0	321.468	3.692	40	0		DHABRO
COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)cc1	ZINC000096058314	563532792	/nfs/dbraw/zinc/53/27/92/563532792.db2.gz	PTOULLKYIUEFKL-ACRUOGEOSA-N	1	0	322.452	3.527	40	0		DHABRO
O=C1CC[C@]2(CCC[N@H+](Cc3ccsc3)CC2)N1CC1CC1	ZINC000096217939	563535640	/nfs/dbraw/zinc/53/56/40/563535640.db2.gz	QAAVJNUUGXNUHR-SFHVURJKSA-N	1	0	318.486	3.505	40	0		DHABRO
O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH+]1CCCCCCC1	ZINC000585289929	563542587	/nfs/dbraw/zinc/54/25/87/563542587.db2.gz	XXMURLXIFUMINL-IPMKNSEASA-N	1	0	321.436	3.753	40	0		DHABRO
Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3cccc(F)c3)cc12	ZINC000013998585	563549367	/nfs/dbraw/zinc/54/93/67/563549367.db2.gz	WDNWHAODXINPBJ-UHFFFAOYSA-N	1	0	310.372	3.574	40	0		DHABRO
COc1ccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)cc1	ZINC000000418156	563608730	/nfs/dbraw/zinc/60/87/30/563608730.db2.gz	WVFVFCLIJRWLQA-UHFFFAOYSA-N	1	0	323.396	3.691	40	0		DHABRO
CCN(CC)C(=O)C1CC[NH+](Cc2ccc(C(C)C)cc2)CC1	ZINC000000785843	563611531	/nfs/dbraw/zinc/61/15/31/563611531.db2.gz	UDZIPAMFSWHTGS-UHFFFAOYSA-N	1	0	316.489	3.890	40	0		DHABRO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccccc2OC)cc1	ZINC000000568247	563631139	/nfs/dbraw/zinc/63/11/39/563631139.db2.gz	GPINLPGEZNKWIV-UHFFFAOYSA-N	1	0	312.413	3.789	40	0		DHABRO
CC[NH+](CC)Cc1ccc(NC(=O)c2cccnc2Cl)cc1	ZINC000000568272	563631219	/nfs/dbraw/zinc/63/12/19/563631219.db2.gz	GNPPLYVLEFORJU-UHFFFAOYSA-N	1	0	317.820	3.829	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000008731461	563644277	/nfs/dbraw/zinc/64/42/77/563644277.db2.gz	XBDRCLGZZUMWCI-IYBDPMFKSA-N	1	0	319.445	3.645	40	0		DHABRO
O=C(OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1	ZINC000014983116	563675754	/nfs/dbraw/zinc/67/57/54/563675754.db2.gz	YIYUGJLYGWSLLU-HOCLYGCPSA-N	1	0	307.821	3.761	40	0		DHABRO
CC(C)(C)OC(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000205919220	563697078	/nfs/dbraw/zinc/69/70/78/563697078.db2.gz	BOZLRFYXXQKMDG-UHFFFAOYSA-N	1	0	318.461	3.813	40	0		DHABRO
CCOc1cc(C=O)ccc1OCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217789454	563714671	/nfs/dbraw/zinc/71/46/71/563714671.db2.gz	UWWNHWFBMMLTNM-GJZGRUSLSA-N	1	0	305.418	3.540	40	0		DHABRO
CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000225905019	563767299	/nfs/dbraw/zinc/76/72/99/563767299.db2.gz	IQWZSYOPKQLFJY-OAHLLOKOSA-N	1	0	322.880	3.714	40	0		DHABRO
C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@@H]12	ZINC000248157140	563782954	/nfs/dbraw/zinc/78/29/54/563782954.db2.gz	VXWFTHKDKWPKSE-NHCUHLMSSA-N	1	0	324.443	3.674	40	0		DHABRO
Cc1cncc(C2CC[NH+](Cc3ccnc4ccccc34)CC2)n1	ZINC000257209480	563790027	/nfs/dbraw/zinc/79/00/27/563790027.db2.gz	BQOCWEBYSBZJRK-UHFFFAOYSA-N	1	0	318.424	3.713	40	0		DHABRO
Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccc4[nH]ccc43)C2)n1	ZINC000257251187	563792379	/nfs/dbraw/zinc/79/23/79/563792379.db2.gz	JPTKDIXDLAULGG-MRXNPFEDSA-N	1	0	308.429	3.589	40	0		DHABRO
Cc1c[nH]c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1	ZINC000257265181	563792437	/nfs/dbraw/zinc/79/24/37/563792437.db2.gz	LXQKLHBPKOSFSQ-ZDUSSCGKSA-N	1	0	303.431	3.880	40	0		DHABRO
Cc1ccccc1C[NH+]1CCC(C(=O)N2CCCCCC2)CC1	ZINC000009062883	563922480	/nfs/dbraw/zinc/92/24/80/563922480.db2.gz	AAQIDTXRQPXASS-UHFFFAOYSA-N	1	0	314.473	3.610	40	0		DHABRO
CC[N@H+](Cc1ccccc1)[C@@H]1CN(C(C)=O)C2(C1)CCCCC2	ZINC000019695671	563922843	/nfs/dbraw/zinc/92/28/43/563922843.db2.gz	VVNGOLRQRXROGS-IBGZPJMESA-N	1	0	314.473	3.832	40	0		DHABRO
CCCOc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc1C	ZINC000095095381	563931011	/nfs/dbraw/zinc/93/10/11/563931011.db2.gz	PUFUITMTWANJQJ-CQSZACIVSA-N	1	0	315.417	3.609	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(N[C@H](C)CC)[nH+]1	ZINC000328998057	563960285	/nfs/dbraw/zinc/96/02/85/563960285.db2.gz	JRWBASWHQCPSEN-CABCVRRESA-N	1	0	324.472	4.201	40	0		DHABRO
C[C@H]([NH2+]CCCSc1ccccc1)[C@H](O)c1ccc(O)cc1	ZINC000001565064	568412314	/nfs/dbraw/zinc/41/23/14/568412314.db2.gz	KNPDZXNZIJNVNH-KSSFIOAISA-N	1	0	317.454	3.586	40	0		DHABRO
c1ccc(Oc2cncc(N3CC[C@]4(C[C@H]5CC[N@@H+]4C5)C3)c2)cc1	ZINC000079042115	185148162	/nfs/dbraw/zinc/14/81/62/185148162.db2.gz	ZJUHPOJXMRRNNF-UZLBHIALSA-N	1	0	321.424	3.548	40	0		DHABRO
O=C(Oc1ccc(/C=C\[n+]2ccccc2)cc1)c1ccccc1	ZINC000017377833	190644101	/nfs/dbraw/zinc/64/41/01/190644101.db2.gz	RTJBWOBVMDMWBC-SSZFMOIBSA-N	1	0	302.353	3.821	40	0		DHABRO
C[NH+](C)CCCOc1ccc(NC(=O)C2(C)CCCC2)cc1	ZINC000225597096	186281633	/nfs/dbraw/zinc/28/16/33/186281633.db2.gz	DTCNNDGMAZEAFY-UHFFFAOYSA-N	1	0	304.434	3.536	40	0		DHABRO
CC[NH+](CC)CCOc1ccc(NC(=O)C2(C)CCCC2)cc1	ZINC000225596592	186281708	/nfs/dbraw/zinc/28/17/08/186281708.db2.gz	PSRCIQZAGOYFLA-UHFFFAOYSA-N	1	0	318.461	3.926	40	0		DHABRO
Cc1csc(Nc2nccnc2[C@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000072363470	191133408	/nfs/dbraw/zinc/13/34/08/191133408.db2.gz	HVDFUVYKZMETBM-ZDUSSCGKSA-N	1	0	317.462	3.573	40	0		DHABRO
CC(C)(C)C[N@@H+]1CCC[C@H]1c1cccc(Nc2ncccn2)n1	ZINC000072375162	191139968	/nfs/dbraw/zinc/13/99/68/191139968.db2.gz	AIYSPHKGZCPQLT-HNNXBMFYSA-N	1	0	311.433	3.798	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1	ZINC000072389969	191147738	/nfs/dbraw/zinc/14/77/38/191147738.db2.gz	BAHMSNANCGOBEL-KRWDZBQOSA-N	1	0	320.396	3.511	40	0		DHABRO
c1cc([C@@H]2C[N@@H+](CCc3ccccc3)C[C@H]2c2ccccc2)n[nH]1	ZINC000072395170	191150185	/nfs/dbraw/zinc/15/01/85/191150185.db2.gz	NSSFPUIDCQHFQY-VQTJNVASSA-N	1	0	317.436	3.835	40	0		DHABRO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000004011542	181062285	/nfs/dbraw/zinc/06/22/85/181062285.db2.gz	FMTHLQDBSCILBQ-MTHXSQLBSA-N	1	0	311.510	3.557	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccccc1Cl)C2	ZINC000004887145	181167849	/nfs/dbraw/zinc/16/78/49/181167849.db2.gz	ATKYDDIDOPWHDX-GOOCMWNKSA-N	1	0	320.864	3.865	40	0		DHABRO
C[NH+]1CCC(CC(=O)Nc2ccc(Cl)cc2Cl)CC1	ZINC000074921074	191388716	/nfs/dbraw/zinc/38/87/16/191388716.db2.gz	WAIJXYZNZQMMDK-UHFFFAOYSA-N	1	0	301.217	3.664	40	0		DHABRO
C[C@@H]1C[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2C(=O)O1	ZINC000005370009	181235488	/nfs/dbraw/zinc/23/54/88/181235488.db2.gz	YYCUVDFUUFENHV-OAHLLOKOSA-N	1	0	316.380	3.867	40	0		DHABRO
Cc1ccccc1[C@](C)(O)Cc1nccn1Cc1ccccc1	ZINC000005504146	181250268	/nfs/dbraw/zinc/25/02/68/181250268.db2.gz	PYOMJEQDMMMXAA-HXUWFJFHSA-N	1	0	306.409	3.690	40	0		DHABRO
CCCCOCCOCCOCC[NH+](CCCC)CCCC	ZINC000005419528	181241653	/nfs/dbraw/zinc/24/16/53/181241653.db2.gz	BEUAVZBGGGOFRZ-UHFFFAOYSA-N	1	0	317.514	3.739	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH3+])(c2ccccc2Cl)CC1	ZINC000255187372	202907565	/nfs/dbraw/zinc/90/75/65/202907565.db2.gz	DCBFEUWSMWOEGN-UHFFFAOYSA-N	1	0	324.852	3.567	40	0		DHABRO
Cc1cc2c[nH+]cn2c([C@@H]2CCCCN2C(=O)CC(C)(C)C)n1	ZINC000257336234	203058244	/nfs/dbraw/zinc/05/82/44/203058244.db2.gz	YNPWXWVICMZIBR-HNNXBMFYSA-N	1	0	314.433	3.528	40	0		DHABRO
CCCOc1c(C)cc(-c2noc([C@H]3CCC[NH2+]C3)n2)cc1C	ZINC000095095382	193423168	/nfs/dbraw/zinc/42/31/68/193423168.db2.gz	PUFUITMTWANJQJ-AWEZNQCLSA-N	1	0	315.417	3.609	40	0		DHABRO
Cc1ccsc1C[NH+]1CCC2(C[C@H](OCC3CC3)CO2)CC1	ZINC000096106630	193539015	/nfs/dbraw/zinc/53/90/15/193539015.db2.gz	OKLYQEIYMRKAPX-INIZCTEOSA-N	1	0	321.486	3.607	40	0		DHABRO
COc1ccc(Cn2c([C@@H]3CCC[NH2+]C3)cc3cccnc32)cc1	ZINC000019555995	182130096	/nfs/dbraw/zinc/13/00/96/182130096.db2.gz	QJADJHZHIJQITA-QGZVFWFLSA-N	1	0	321.424	3.560	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1ccccc1)Cc1ccncc1	ZINC000023247749	182354333	/nfs/dbraw/zinc/35/43/33/182354333.db2.gz	KKELUAQJFRRDDP-HXUWFJFHSA-N	1	0	309.457	3.568	40	0		DHABRO
Cc1ccc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000030847932	182599058	/nfs/dbraw/zinc/59/90/58/182599058.db2.gz	ILACWXOZYPBVRU-UHFFFAOYSA-N	1	0	322.452	3.863	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000044140359	183396354	/nfs/dbraw/zinc/39/63/54/183396354.db2.gz	WJLUPZYEWQZHKO-HZPDHXFCSA-N	1	0	319.518	3.649	40	0		DHABRO
Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072218709	257124498	/nfs/dbraw/zinc/12/44/98/257124498.db2.gz	RAGIZQPKTTXRSL-OAHLLOKOSA-N	1	0	319.449	3.918	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCC[NH2+]2)cn1)C1CCC1	ZINC000072215424	257125125	/nfs/dbraw/zinc/12/51/25/257125125.db2.gz	WPKBOKOUBHPWRW-HNNXBMFYSA-N	1	0	317.433	3.800	40	0		DHABRO
CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1	ZINC000072214541	257125806	/nfs/dbraw/zinc/12/58/06/257125806.db2.gz	QVZVIGPWLDIMQQ-OAHLLOKOSA-N	1	0	319.449	3.904	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1CC	ZINC000072214789	257126026	/nfs/dbraw/zinc/12/60/26/257126026.db2.gz	LKDPMAMQXKACMM-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214377	257126120	/nfs/dbraw/zinc/12/61/20/257126120.db2.gz	HCOGKJUYLVXCNG-CQSZACIVSA-N	1	0	305.422	3.974	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1	ZINC000072214660	257126452	/nfs/dbraw/zinc/12/64/52/257126452.db2.gz	FUONWCFLGWFPBC-AWEZNQCLSA-N	1	0	305.422	3.658	40	0		DHABRO
C[C@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1	ZINC000007276906	333003218	/nfs/dbraw/zinc/00/32/18/333003218.db2.gz	BFWVOCHZZSKLLX-AWEZNQCLSA-N	1	0	308.381	3.685	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCOc1c(C=O)cccc1OC	ZINC000008731542	563644228	/nfs/dbraw/zinc/64/42/28/563644228.db2.gz	DOEZLIPWEGLPHN-INIZCTEOSA-N	1	0	305.418	3.541	40	0		DHABRO
COc1ccc(/C=C/[C@@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000001615862	563288256	/nfs/dbraw/zinc/28/82/56/563288256.db2.gz	GDNSQQLLCBYQEJ-ZHMLOGAASA-N	1	0	315.457	3.581	40	0		DHABRO
C[C@@H](C[NH+](C)C)[C@@](O)(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001698653	563291642	/nfs/dbraw/zinc/29/16/42/563291642.db2.gz	YIVFNVSKOBCLBC-KXBFYZLASA-N	1	0	317.860	3.968	40	0		DHABRO
CC(C)CC(CC(C)C)[NH2+]C[C@H](C)OC(=O)c1ccc(N)cc1	ZINC000001714528	563293385	/nfs/dbraw/zinc/29/33/85/563293385.db2.gz	RTUNRXVTBHWXIR-HNNXBMFYSA-N	1	0	320.477	3.865	40	0		DHABRO
Nc1ccc(C(=O)Nc2ccc(Nc3cc[nH+]cc3)cc2)cc1	ZINC000001728888	563293852	/nfs/dbraw/zinc/29/38/52/563293852.db2.gz	JSRRUKFZSFNXAC-UHFFFAOYSA-N	1	0	304.353	3.660	40	0		DHABRO
CC[C@@H](OC[C@H](O)C[N@H+](C)C1CCCCC1)c1ccccc1	ZINC000002694630	563311744	/nfs/dbraw/zinc/31/17/44/563311744.db2.gz	ZYEJBRMTHITMNI-RTBURBONSA-N	1	0	305.462	3.780	40	0		DHABRO
CC(C)(CO)[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000006883188	563334522	/nfs/dbraw/zinc/33/45/22/563334522.db2.gz	QAOGTFYXVTXHPF-UHFFFAOYSA-N	1	0	319.832	3.780	40	0		DHABRO
CCOc1c(Br)cc(C[NH2+]C(C)(C)C)cc1OC	ZINC000008253328	563345079	/nfs/dbraw/zinc/34/50/79/563345079.db2.gz	NOZPQGZMVSRMGF-UHFFFAOYSA-N	1	0	316.239	3.745	40	0		DHABRO
Cc1c(Cl)cccc1-c1ccc(CNCCC[NH+](C)C)o1	ZINC000008548496	563347389	/nfs/dbraw/zinc/34/73/89/563347389.db2.gz	JRTISELMZVGGJM-UHFFFAOYSA-N	1	0	306.837	3.950	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1	ZINC000013649246	563384245	/nfs/dbraw/zinc/38/42/45/563384245.db2.gz	BBZZUCZDLLAAMX-INIZCTEOSA-N	1	0	308.853	3.724	40	0		DHABRO
CC(C)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000037530302	563458280	/nfs/dbraw/zinc/45/82/80/563458280.db2.gz	SHFCKFJTPRMDBZ-JZXOWHBKSA-N	1	0	305.462	3.528	40	0		DHABRO
CN(C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000044910178	563464311	/nfs/dbraw/zinc/46/43/11/563464311.db2.gz	FNQZKGLAPAJKTF-SFHVURJKSA-N	1	0	308.425	3.562	40	0		DHABRO
COc1ccccc1[N+](=O)Nc1ccc(Br)cc1	ZINC000584905788	563466614	/nfs/dbraw/zinc/46/66/14/563466614.db2.gz	DXAPRSKOMPTNRK-UHFFFAOYSA-N	1	0	308.155	3.895	40	0		DHABRO
Cc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2C)c(C(C)(C)C)c1	ZINC000035031460	563469216	/nfs/dbraw/zinc/46/92/16/563469216.db2.gz	OFEQUOJOHSEPLP-IRXDYDNUSA-N	1	0	319.489	3.907	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)COc2ccccc2C(C)(C)C)C1	ZINC000012170263	563479946	/nfs/dbraw/zinc/47/99/46/563479946.db2.gz	VMQLBGCPIVMCQJ-BRWVUGGUSA-N	1	0	319.489	3.702	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1ccccc1C)CC2	ZINC000585105554	563516549	/nfs/dbraw/zinc/51/65/49/563516549.db2.gz	ZQZMNODVICHIBC-IBGZPJMESA-N	1	0	317.473	3.793	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)cc1)CC2	ZINC000585104651	563516604	/nfs/dbraw/zinc/51/66/04/563516604.db2.gz	KFBFVOVCWWZQQO-IBGZPJMESA-N	1	0	317.473	3.793	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585104670	563516980	/nfs/dbraw/zinc/51/69/80/563516980.db2.gz	KTQZAOGTXCAOEY-MRXNPFEDSA-N	1	0	323.502	3.854	40	0		DHABRO
CCC(CC)C[N@@H+]1CCC[C@@]2(CN(CC3CCCCC3)C2=O)C1	ZINC000585099602	563517091	/nfs/dbraw/zinc/51/70/91/563517091.db2.gz	SDPHFZWCUMULQT-FQEVSTJZSA-N	1	0	320.521	3.927	40	0		DHABRO
CCCC[N@@H+]1CCC[C@@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100011	563517114	/nfs/dbraw/zinc/51/71/14/563517114.db2.gz	CGYBBJOIBKFKNH-HXUWFJFHSA-N	1	0	314.473	3.834	40	0		DHABRO
CN1CC[C@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12	ZINC000096058414	563532718	/nfs/dbraw/zinc/53/27/18/563532718.db2.gz	AXBXJEBMMWIAMQ-RBUKOAKNSA-N	1	0	312.482	3.596	40	0		DHABRO
CC[NH+]1CCC(c2nc3ccc(-c4ccsc4)cn3n2)CC1	ZINC000096086953	563533485	/nfs/dbraw/zinc/53/34/85/563533485.db2.gz	WXYRYPZQQXEHMR-UHFFFAOYSA-N	1	0	312.442	3.657	40	0		DHABRO
Cc1nc(-c2cccc(F)c2)nc2c1C[N@H+](CCC(C)C)CC2	ZINC000096253956	563536214	/nfs/dbraw/zinc/53/62/14/563536214.db2.gz	SPLSJCQLOCEZTK-UHFFFAOYSA-N	1	0	313.420	3.995	40	0		DHABRO
Cc1ccc(C)c2[nH]c(=O)c(C[NH2+]Cc3ccccc3F)cc12	ZINC000013998580	563549564	/nfs/dbraw/zinc/54/95/64/563549564.db2.gz	QQOWIPAALKEGAH-UHFFFAOYSA-N	1	0	310.372	3.574	40	0		DHABRO
Cc1nn(Cc2ccccc2)c(C)c1/C=C/c1cc[n+](C)cc1	ZINC000005002275	563623697	/nfs/dbraw/zinc/62/36/97/563623697.db2.gz	GHXIGFWHMWOIOY-UHFFFAOYSA-N	1	0	304.417	3.543	40	0		DHABRO
COc1ccc(C[NH2+]C2CCCCCCC2)c(OC)c1OC	ZINC000007523488	563640658	/nfs/dbraw/zinc/64/06/58/563640658.db2.gz	BYSNZZJYIOAUTO-UHFFFAOYSA-N	1	0	307.434	3.915	40	0		DHABRO
COc1cccc(C[NH2+]C2CC2)c1OCc1ccc(F)cc1	ZINC000008495356	563643044	/nfs/dbraw/zinc/64/30/44/563643044.db2.gz	UQIZEOOBECYJBN-UHFFFAOYSA-N	1	0	301.361	3.665	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000008731462	563644318	/nfs/dbraw/zinc/64/43/18/563644318.db2.gz	XBDRCLGZZUMWCI-HOTGVXAUSA-N	1	0	319.445	3.645	40	0		DHABRO
Cc1ccccc1C[N@H+]1CC[C@H](c2nc3ccccc3n2C)C1	ZINC000049171202	563700790	/nfs/dbraw/zinc/70/07/90/563700790.db2.gz	UQGBRXRRCBJETP-KRWDZBQOSA-N	1	0	305.425	3.871	40	0	biogenic,in-vitro	DHABRO
Cc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCCC2)c1	ZINC000224642623	563743489	/nfs/dbraw/zinc/74/34/89/563743489.db2.gz	OMQZYQUZPVTKLS-UHFFFAOYSA-N	1	0	322.452	3.911	40	0		DHABRO
CCc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000260742709	563780921	/nfs/dbraw/zinc/78/09/21/563780921.db2.gz	YHDSFIKCZYUVLX-HNNXBMFYSA-N	1	0	319.518	3.657	40	0		DHABRO
CC(C)(C)c1ccc2c(c1)[C@@H]1O[C@@H]3CC[NH2+][C@@H]3C[C@H]1C(C)(C)O2	ZINC000257209889	563789751	/nfs/dbraw/zinc/78/97/51/563789751.db2.gz	BSHJMZPPWRVUKN-AHCXZYCDSA-N	1	0	315.457	3.963	40	0		DHABRO
CC(C)(C)c1ccc2c(c1)[C@H]1O[C@H]3CC[NH2+][C@H]3C[C@@H]1C(C)(C)O2	ZINC000257209890	563789952	/nfs/dbraw/zinc/78/99/52/563789952.db2.gz	BSHJMZPPWRVUKN-UOVPBQLFSA-N	1	0	315.457	3.963	40	0		DHABRO
Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccn2C(C)C)ccn1	ZINC000257265784	563792596	/nfs/dbraw/zinc/79/25/96/563792596.db2.gz	MAFRZYJQMINMCW-GOSISDBHSA-N	1	0	312.461	3.765	40	0		DHABRO
Cc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(F)c1	ZINC000067801073	563868666	/nfs/dbraw/zinc/86/86/66/563868666.db2.gz	KYQQHMLINDKHGT-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
C[NH2+]C1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCCCC1	ZINC000601032732	563894866	/nfs/dbraw/zinc/89/48/66/563894866.db2.gz	PDWWZXXRSUFEBM-UHFFFAOYSA-N	1	0	315.244	3.646	40	0	in-vitro	DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@H]([NH3+])c2ccc(F)cc2)CC1	ZINC000255188456	563927727	/nfs/dbraw/zinc/92/77/27/563927727.db2.gz	JZSIUEGVPNHNQX-INIZCTEOSA-N	1	0	322.424	3.863	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@@H]2CCC[C@@H]21	ZINC000225717906	563938486	/nfs/dbraw/zinc/93/84/86/563938486.db2.gz	FUJSTKVKXGEKGI-DOADOZAASA-N	1	0	314.473	3.511	40	0		DHABRO
CCc1cccc2cc(C[NH2+]CCc3ccccc3C)c(=O)[nH]c21	ZINC000013566700	568413100	/nfs/dbraw/zinc/41/31/00/568413100.db2.gz	ZTMOPLODQPWPSF-UHFFFAOYSA-N	1	0	320.436	3.731	40	0		DHABRO
Cc1cc(N2CCc3ccccc3C2)nc(NC2CCCC2)[nH+]1	ZINC000242965477	1018475932	/nfs/dbraw/zinc/47/59/32/1018475932.db2.gz	HLJKRJSKJAGQCF-UHFFFAOYSA-N	1	0	308.429	3.702	40	0		DHABRO
CCCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]2)n1	ZINC000256054258	1019707609	/nfs/dbraw/zinc/70/76/09/1019707609.db2.gz	VPYMCSCAYLSONQ-ZDUSSCGKSA-N	1	0	321.808	3.993	40	0		DHABRO
CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@H]2C[NH2+]CC[C@H]21	ZINC000095635408	185382891	/nfs/dbraw/zinc/38/28/91/185382891.db2.gz	IZHFFHWVHONBQY-TZMCWYRMSA-N	1	0	308.809	3.541	40	0		DHABRO
C[NH2+][C@@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C(C)C	ZINC000079437869	185171367	/nfs/dbraw/zinc/17/13/67/185171367.db2.gz	URQCCMFLWKGVAR-SJORKVTESA-N	1	0	304.434	3.564	40	0		DHABRO
C[NH2+]C1CCC(N(C(=O)OCc2ccccc2)C(C)C)CC1	ZINC000079437856	185171418	/nfs/dbraw/zinc/17/14/18/185171418.db2.gz	UZBZYGMPXCBOKP-UHFFFAOYSA-N	1	0	304.434	3.564	40	0		DHABRO
C[n+]1cc(Br)cc(-c2nc3cc(Cl)ccc3o2)c1	ZINC000226774853	201787440	/nfs/dbraw/zinc/78/74/40/201787440.db2.gz	ADHHARSWVVJIPH-UHFFFAOYSA-N	1	0	324.585	3.735	40	0		DHABRO
C[C@@H]1CCC[N@H+](CCOc2ccc(NC(=O)C(C)(C)C)cc2)C1	ZINC000225592156	186280829	/nfs/dbraw/zinc/28/08/29/186280829.db2.gz	UACCWOJZKMYCGJ-OAHLLOKOSA-N	1	0	318.461	3.782	40	0		DHABRO
O=C(NCCC[NH+]1CCCCCC1)c1ccc2c(c1)CCCC2	ZINC000225628821	186285275	/nfs/dbraw/zinc/28/52/75/186285275.db2.gz	WCXJLYBUPRPRGU-UHFFFAOYSA-N	1	0	314.473	3.561	40	0		DHABRO
CC(=O)Nc1cccc(Oc2ccc([C@@H]3CCCC[NH2+]3)cn2)c1	ZINC000072383141	191143497	/nfs/dbraw/zinc/14/34/97/191143497.db2.gz	DTFBAZMOIVTLJP-KRWDZBQOSA-N	1	0	311.385	3.647	40	0		DHABRO
Cc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CCCC1(C)C	ZINC000003615137	181041456	/nfs/dbraw/zinc/04/14/56/181041456.db2.gz	SEUANAVITZNMPH-INIZCTEOSA-N	1	0	305.462	3.778	40	0		DHABRO
C[C@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)[NH+]1CCCC1	ZINC000004411194	181107387	/nfs/dbraw/zinc/10/73/87/181107387.db2.gz	XMEWHLNQVHUJQI-YDZRNGNQSA-N	1	0	317.473	3.953	40	0		DHABRO
CC[NH+](CC)CCN(C(=O)C(C)C)c1nc2ccccc2s1	ZINC000004585316	181127324	/nfs/dbraw/zinc/12/73/24/181127324.db2.gz	OXTMYYIWVYESMC-UHFFFAOYSA-N	1	0	319.474	3.627	40	0		DHABRO
CCCC(CCC)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000004866621	181165840	/nfs/dbraw/zinc/16/58/40/181165840.db2.gz	KOBBXTNLFUYMAG-UHFFFAOYSA-N	1	0	316.489	3.984	40	0		DHABRO
C[NH+](C)Cc1cccc(C(F)(F)F)c1[C@@H](O)c1ccccc1	ZINC000005599730	181262349	/nfs/dbraw/zinc/26/23/49/181262349.db2.gz	VIIGQOVLVXXHSL-INIZCTEOSA-N	1	0	309.331	3.849	40	0		DHABRO
O[C@@H](C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1	ZINC000006584533	181357257	/nfs/dbraw/zinc/35/72/57/181357257.db2.gz	LVJSAEQFGSKBLO-NRFANRHFSA-N	1	0	303.405	3.932	40	0		DHABRO
C[N@H+](C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)C2)C1CCCCC1	ZINC000006617316	181361564	/nfs/dbraw/zinc/36/15/64/181361564.db2.gz	NYKSCGZFZQRKJK-ZCDKGFTFSA-N	1	0	323.521	3.843	40	0		DHABRO
CC(C)[N@@H+]1CC[C@H]2O[C@H]3c4ccccc4OC(C)(C)[C@@H]3C[C@H]21	ZINC000257269496	202999978	/nfs/dbraw/zinc/99/99/78/202999978.db2.gz	MQGIZSMRZPMDAU-AHCXZYCDSA-N	1	0	301.430	3.787	40	0		DHABRO
Cc1ncsc1C[N@@H+]1CCC[C@@H](Cc2cccc(C)n2)C1	ZINC000257277372	203007134	/nfs/dbraw/zinc/00/71/34/203007134.db2.gz	NXSOXVHHAKFKJN-HNNXBMFYSA-N	1	0	301.459	3.610	40	0		DHABRO
Fc1ccccc1COc1ccccc1C[NH2+]C[C@H]1CCCO1	ZINC000016449646	182045253	/nfs/dbraw/zinc/04/52/53/182045253.db2.gz	JJTVJSAJGMMLAR-QGZVFWFLSA-N	1	0	315.388	3.673	40	0		DHABRO
COc1cc2c(cc1C[N@H+]1[C@@H]3CC[C@H]1Cc1ncccc13)CCC2	ZINC000019550506	182128826	/nfs/dbraw/zinc/12/88/26/182128826.db2.gz	QIAIKVWDWZEBQT-FXAWDEMLSA-N	1	0	320.436	3.841	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccnc2)c1	ZINC000019565992	182130574	/nfs/dbraw/zinc/13/05/74/182130574.db2.gz	XAGFKPXRNZMYRL-SQGPQFPESA-N	1	0	324.424	3.522	40	0		DHABRO
Clc1ccc2c(c1)CCc1cccnc1[C@@H]2C1=CC[NH2+]CC1	ZINC000022061508	182307055	/nfs/dbraw/zinc/30/70/55/182307055.db2.gz	ADSCCBORDDPTRQ-GOSISDBHSA-N	1	0	310.828	3.885	40	0	in-vitro	DHABRO
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccsc2)o1	ZINC000043277748	183350328	/nfs/dbraw/zinc/35/03/28/183350328.db2.gz	HJBCONLOSUYKIC-UHFFFAOYSA-N	1	0	315.442	3.939	40	0		DHABRO
CN(Cc1ccccc1)c1ccc([C@@H]([NH3+])c2ccccc2)cn1	ZINC000072225378	257123504	/nfs/dbraw/zinc/12/35/04/257123504.db2.gz	AOCQHALEMZLCDK-FQEVSTJZSA-N	1	0	303.409	3.766	40	0		DHABRO
CNc1ncc([C@H]2CCCCN2C(=O)OC(C)(C)C)cc1C	ZINC000072219009	257123951	/nfs/dbraw/zinc/12/39/51/257123951.db2.gz	PAPYIOYNNYUPJJ-CQSZACIVSA-N	1	0	305.422	3.894	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[NH2+]1	ZINC000072214721	257126279	/nfs/dbraw/zinc/12/62/79/257126279.db2.gz	JRUCYEWMXXAJRB-CQSZACIVSA-N	1	0	305.422	3.658	40	0		DHABRO
CCOc1cc(C=O)ccc1OCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217789626	563714574	/nfs/dbraw/zinc/71/45/74/563714574.db2.gz	UWWNHWFBMMLTNM-HUUCEWRRSA-N	1	0	305.418	3.540	40	0		DHABRO
C[N@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000001475516	563284109	/nfs/dbraw/zinc/28/41/09/563284109.db2.gz	DLYJEEDHDSBGEA-SFHVURJKSA-N	1	0	319.489	3.988	40	0		DHABRO
Clc1cccc2c1nc1c(c2N2CCOCC2)CCCC1	ZINC000001621252	563288248	/nfs/dbraw/zinc/28/82/48/563288248.db2.gz	ZJRUFYNUXUWLIN-UHFFFAOYSA-N	1	0	302.805	3.604	40	0		DHABRO
CCC[N@H+](CCNc1cc(OC)cc2cccnc21)C(C)C	ZINC000001656139	563289086	/nfs/dbraw/zinc/28/90/86/563289086.db2.gz	UKYCPYRUGLSQNA-UHFFFAOYSA-N	1	0	301.434	3.776	40	0		DHABRO
Nc1ccc(C(=O)Oc2ccc(CC[NH+]3CCCCC3)cc2)cc1	ZINC000001688838	563291012	/nfs/dbraw/zinc/29/10/12/563291012.db2.gz	FPCKPUWGAQJWSQ-UHFFFAOYSA-N	1	0	324.424	3.516	40	0		DHABRO
c1ccc(C2([NH+]3CCC4(CC3)OCCO4)CCCCC2)cc1	ZINC000001688580	563291432	/nfs/dbraw/zinc/29/14/32/563291432.db2.gz	CSEGJJNPHYHBHD-UHFFFAOYSA-N	1	0	301.430	3.685	40	0		DHABRO
Cc1ccc(-c2nn(-c3ccccc3)[n+](-c3ccccc3)n2)cc1	ZINC000002528002	563307949	/nfs/dbraw/zinc/30/79/49/563307949.db2.gz	BZXAKJNOYOUQPS-UHFFFAOYSA-N	1	0	313.384	3.519	40	0		DHABRO
CCC[NH2+]Cc1cc(Br)c(OCC)c(OCC)c1	ZINC000007262302	563337174	/nfs/dbraw/zinc/33/71/74/563337174.db2.gz	TVWKGQKIRIFLII-UHFFFAOYSA-N	1	0	316.239	3.746	40	0		DHABRO
CCC[NH2+]Cc1ccc(OCc2ccc(Cl)nc2)c(OC)c1	ZINC000007262360	563337377	/nfs/dbraw/zinc/33/73/77/563337377.db2.gz	ZPUCCRXCPLEEPI-UHFFFAOYSA-N	1	0	320.820	3.822	40	0		DHABRO
Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1	ZINC000008011617	563344091	/nfs/dbraw/zinc/34/40/91/563344091.db2.gz	LWONMFUUZXIZMF-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
COc1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1Cl	ZINC000008373877	563346740	/nfs/dbraw/zinc/34/67/40/563346740.db2.gz	DLRZDYIDMGRDGA-UHFFFAOYSA-N	1	0	322.836	3.650	40	0		DHABRO
Fc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2)cc1	ZINC000012085369	563361760	/nfs/dbraw/zinc/36/17/60/563361760.db2.gz	VQWMKTDYCZUVSX-KVSKMBFKSA-N	1	0	312.388	3.653	40	0		DHABRO
COc1ccc(C2([NH2+]Cc3cc4c(cc3C)OCO4)CC2)cc1	ZINC000012361913	563367263	/nfs/dbraw/zinc/36/72/63/563367263.db2.gz	USKZDGUGGYTQCK-UHFFFAOYSA-N	1	0	311.381	3.511	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(Cl)cc1	ZINC000013649244	563384099	/nfs/dbraw/zinc/38/40/99/563384099.db2.gz	BBZZUCZDLLAAMX-MRXNPFEDSA-N	1	0	308.853	3.724	40	0		DHABRO
C[N@@H+]1CCC[C@@]12CCN(c1cncc(Oc3ccccc3)c1)C2	ZINC000013975449	563393895	/nfs/dbraw/zinc/39/38/95/563393895.db2.gz	YVYIISOHXBZKGQ-IBGZPJMESA-N	1	0	309.413	3.548	40	0		DHABRO
CC[N@H+](CC1(c2ccc(Cl)cc2)CC1)C1CCN(C)CC1	ZINC000036743653	563457530	/nfs/dbraw/zinc/45/75/30/563457530.db2.gz	DDIIZJISVIAXLO-UHFFFAOYSA-N	1	0	306.881	3.788	40	0		DHABRO
CC(C)c1ccc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1	ZINC000037530304	563457869	/nfs/dbraw/zinc/45/78/69/563457869.db2.gz	SHFCKFJTPRMDBZ-BQFCYCMXSA-N	1	0	305.462	3.528	40	0		DHABRO
CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000044790122	563462455	/nfs/dbraw/zinc/46/24/55/563462455.db2.gz	GYPZEYWXRZTKMK-GDBMZVCRSA-N	1	0	322.880	3.857	40	0		DHABRO
Cc1ccccc1C(=O)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000046374524	563465682	/nfs/dbraw/zinc/46/56/82/563465682.db2.gz	VCRXNSPUPIZHBJ-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
CC(C)C[N@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1	ZINC000585109297	563517618	/nfs/dbraw/zinc/51/76/18/563517618.db2.gz	HRECDGGNBVFJFQ-OKZBNKHCSA-N	1	0	314.473	3.575	40	0		DHABRO
Cc1ccccc1CN1CC2(C1)CC[N@H+](Cc1ccccc1)C2	ZINC000096070804	563532536	/nfs/dbraw/zinc/53/25/36/563532536.db2.gz	MXTSBTZEIQKUQL-UHFFFAOYSA-N	1	0	306.453	3.703	40	0		DHABRO
c1cc(C[NH+]2CCC3(CO[C@H](COCC4CC4)C3)CC2)cs1	ZINC000096105965	563533165	/nfs/dbraw/zinc/53/31/65/563533165.db2.gz	JZLLFOYLRNKGDX-KRWDZBQOSA-N	1	0	321.486	3.546	40	0		DHABRO
c1ccc([C@@H]2CO[C@@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cc1	ZINC000096073459	563533606	/nfs/dbraw/zinc/53/36/06/563533606.db2.gz	QJMNXUCVMXNXRP-VQTJNVASSA-N	1	0	308.425	3.620	40	0		DHABRO
c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)cs1	ZINC000096216633	563535381	/nfs/dbraw/zinc/53/53/81/563535381.db2.gz	YSMUSOLMXQKXMV-GOSISDBHSA-N	1	0	313.470	3.636	40	0		DHABRO
Cc1ccc(Cl)c(OCC2(O)CC[NH+](C3CCCC3)CC2)c1	ZINC000585281726	563540910	/nfs/dbraw/zinc/54/09/10/563540910.db2.gz	QGYPZUFBGYYGDJ-UHFFFAOYSA-N	1	0	323.864	3.797	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CCCCCC2)[C@H]1O	ZINC000585288963	563542842	/nfs/dbraw/zinc/54/28/42/563542842.db2.gz	LTZGVDFECUWYTD-DFQSSKMNSA-N	1	0	317.473	3.968	40	0		DHABRO
CC(C)c1ccc2[nH]c(=O)c(C[NH2+]Cc3ccccc3)cc2c1	ZINC000013998435	563549386	/nfs/dbraw/zinc/54/93/86/563549386.db2.gz	XYAALAPOJRDANA-UHFFFAOYSA-N	1	0	306.409	3.941	40	0		DHABRO
Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)cc1	ZINC000100809707	563632616	/nfs/dbraw/zinc/63/26/16/563632616.db2.gz	WDFCCTDHLGCQLU-CALCHBBNSA-N	1	0	318.461	3.921	40	0		DHABRO
COc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000010372386	563648606	/nfs/dbraw/zinc/64/86/06/563648606.db2.gz	AYMRHWHNFLKJRO-UHFFFAOYSA-N	1	0	310.397	3.543	40	0		DHABRO
Cc1ccc(-c2nnc([C@H]3CC[N@H+](Cc4ccco4)C3)o2)cc1	ZINC000049169917	563700728	/nfs/dbraw/zinc/70/07/28/563700728.db2.gz	WDROMRXKPJEXPW-HNNXBMFYSA-N	1	0	309.369	3.628	40	0	biogenic,in-vitro	DHABRO
COc1cccc(C=O)c1OCCCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217792874	563714617	/nfs/dbraw/zinc/71/46/17/563714617.db2.gz	RACGSBWQCKZWDM-IYBDPMFKSA-N	1	0	319.445	3.930	40	0		DHABRO
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)c1ccccc1	ZINC000224642557	563743122	/nfs/dbraw/zinc/74/31/22/563743122.db2.gz	IJSOJTLFAVZPCM-UHFFFAOYSA-N	1	0	308.425	3.603	40	0		DHABRO
CC(C)[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000225229238	563750390	/nfs/dbraw/zinc/75/03/90/563750390.db2.gz	KNIMVCDNUSUQTQ-GOEBONIOSA-N	1	0	322.880	3.713	40	0		DHABRO
Fc1ccc(Cc2cnc([C@@H]3CCN(c4ccccn4)C3)o2)cc1	ZINC000257200750	563789814	/nfs/dbraw/zinc/78/98/14/563789814.db2.gz	AETGIRPGFNFBGP-OAHLLOKOSA-N	1	0	323.371	3.793	40	0		DHABRO
c1nc(C[N@H+]2CC[C@H](Cc3ccnc4ccccc34)C2)cs1	ZINC000257230643	563791541	/nfs/dbraw/zinc/79/15/41/563791541.db2.gz	GDFFGVJSXXLOLE-CQSZACIVSA-N	1	0	309.438	3.756	40	0		DHABRO
Cc1ncsc1C[N@@H+]1CCC[C@H]1CCc1ccnc(C)c1	ZINC000257233991	563791694	/nfs/dbraw/zinc/79/16/94/563791694.db2.gz	GRPNZYDVAANDHC-INIZCTEOSA-N	1	0	301.459	3.752	40	0		DHABRO
c1ccc(CN2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)cc1	ZINC000257249043	563792339	/nfs/dbraw/zinc/79/23/39/563792339.db2.gz	JGKXOKQFDMENLO-QGZVFWFLSA-N	1	0	320.396	3.859	40	0		DHABRO
Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccc(Cl)cc2)n1	ZINC000257268216	563792511	/nfs/dbraw/zinc/79/25/11/563792511.db2.gz	MKSLBRLPQXVHIK-HNNXBMFYSA-N	1	0	317.820	3.668	40	0		DHABRO
CCc1cc(N2Cc3ccccc3CC2(C)C)nc(NC2CC2)[nH+]1	ZINC000328965309	563832698	/nfs/dbraw/zinc/83/26/98/563832698.db2.gz	CCXIQWWHSATNHG-UHFFFAOYSA-N	1	0	322.456	3.955	40	0		DHABRO
CC[C@H](C)Nc1cc(N2Cc3ccccc3C[C@H]2C)nc(C)[nH+]1	ZINC000329025754	563833918	/nfs/dbraw/zinc/83/39/18/563833918.db2.gz	PIOGSKHQXZAQKT-UONOGXRCSA-N	1	0	310.445	3.947	40	0		DHABRO
Cc1cc(F)ccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000067801008	563868655	/nfs/dbraw/zinc/86/86/55/563868655.db2.gz	FALFHFSGCYZAIG-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
CCC[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000009063430	563922500	/nfs/dbraw/zinc/92/25/00/563922500.db2.gz	IWCKVEPKTVMVPM-AWEZNQCLSA-N	1	0	322.880	3.857	40	0		DHABRO
CCC[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000009063429	563922526	/nfs/dbraw/zinc/92/25/26/563922526.db2.gz	IWCKVEPKTVMVPM-CQSZACIVSA-N	1	0	322.880	3.857	40	0		DHABRO
CC[N@H+](Cc1ccccc1)[C@H]1CN(C(C)=O)C2(C1)CCCCC2	ZINC000019695672	563922784	/nfs/dbraw/zinc/92/27/84/563922784.db2.gz	VVNGOLRQRXROGS-LJQANCHMSA-N	1	0	314.473	3.832	40	0		DHABRO
Cc1cc(C)cc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000044080844	563923154	/nfs/dbraw/zinc/92/31/54/563923154.db2.gz	GBNCMPMAVAXBOY-AWEZNQCLSA-N	1	0	319.518	3.712	40	0		DHABRO
CC[C@H](C)Oc1c(C)cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095426	563930879	/nfs/dbraw/zinc/93/08/79/563930879.db2.gz	WACWLENGESNBKY-DZGCQCFKSA-N	1	0	315.417	3.955	40	0		DHABRO
CC[C@@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095423	563930904	/nfs/dbraw/zinc/93/09/04/563930904.db2.gz	WACWLENGESNBKY-HIFRSBDPSA-N	1	0	315.417	3.955	40	0		DHABRO
Cc1ccccc1CNc1cc(C2CC2)[nH+]c(NC(C)(C)C)n1	ZINC000329057318	563960076	/nfs/dbraw/zinc/96/00/76/563960076.db2.gz	VXNLSEDJYGBEFZ-UHFFFAOYSA-N	1	0	310.445	4.485	40	0		DHABRO
Cc1ccc(CNc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)cc1	ZINC000329002875	563960139	/nfs/dbraw/zinc/96/01/39/563960139.db2.gz	KKKBRJDNZRXYAY-UHFFFAOYSA-N	1	0	310.445	4.485	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@@H]([NH3+])c2ccccc2F)CC1	ZINC000255189300	1019337745	/nfs/dbraw/zinc/33/77/45/1019337745.db2.gz	OZSKIEAMKSCRAS-MRXNPFEDSA-N	1	0	322.424	3.863	40	0		DHABRO
c1cn(CCC[N@@H+](Cc2ccncc2)C[C@@H]2CC=CCC2)cn1	ZINC000013991187	1022010289	/nfs/dbraw/zinc/01/02/89/1022010289.db2.gz	GDXZNXRJJUYZGU-GOSISDBHSA-N	1	0	310.445	3.527	40	0		DHABRO
CC(C)(C)C(=O)Nc1ccc(OCCC[NH+]2CCCCC2)cc1	ZINC000225592507	186280905	/nfs/dbraw/zinc/28/09/05/186280905.db2.gz	UQDDNQWTABNOBW-UHFFFAOYSA-N	1	0	318.461	3.926	40	0		DHABRO
Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2cccs2)n1	ZINC000072355427	191129221	/nfs/dbraw/zinc/12/92/21/191129221.db2.gz	BNWAUIWOIKFTPW-KRWDZBQOSA-N	1	0	324.453	3.974	40	0		DHABRO
C[N@@H+]1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1	ZINC000072359280	191130995	/nfs/dbraw/zinc/13/09/95/191130995.db2.gz	MBBDDGBSUPFRHX-ZDUSSCGKSA-N	1	0	321.346	3.972	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccccn4)o3)C2)cc1	ZINC000072390019	191148667	/nfs/dbraw/zinc/14/86/67/191148667.db2.gz	MJZWAHGUYMPAIA-INIZCTEOSA-N	1	0	320.396	3.511	40	0		DHABRO
c1cc([C@@H]2C[N@@H+](C[C@H]3CC=CCC3)C[C@H]2c2ccccc2)n[nH]1	ZINC000072395191	191150167	/nfs/dbraw/zinc/15/01/67/191150167.db2.gz	JGSZVWCSZFRMMG-YTQUADARSA-N	1	0	307.441	3.949	40	0		DHABRO
Cc1c(C)n(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2C)c2ccccc12	ZINC000004177782	181082511	/nfs/dbraw/zinc/08/25/11/181082511.db2.gz	GDDCYANZONIPGV-UCLAIMLFSA-N	1	0	314.473	3.787	40	0		DHABRO
C[C@@H](COC(=O)[C@@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)[NH+]1CCCC1	ZINC000004411193	181107666	/nfs/dbraw/zinc/10/76/66/181107666.db2.gz	XMEWHLNQVHUJQI-CADBVGFASA-N	1	0	317.473	3.953	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@H](C[NH+]2CCCCC2)O1	ZINC000004862832	181165046	/nfs/dbraw/zinc/16/50/46/181165046.db2.gz	IUQYLYYXKZJRJM-ADHGMGHFSA-N	1	0	307.478	3.676	40	0		DHABRO
C[NH+]1CCC(CC(=O)Nc2cc(Cl)cc(Cl)c2)CC1	ZINC000074921076	191388530	/nfs/dbraw/zinc/38/85/30/191388530.db2.gz	NCUITKDVZYFWQR-UHFFFAOYSA-N	1	0	301.217	3.664	40	0		DHABRO
CC(C)c1ccc(C[NH2+]CCCSc2ncccn2)cc1	ZINC000004984185	181184545	/nfs/dbraw/zinc/18/45/45/181184545.db2.gz	FXYUGLSICGQBAT-UHFFFAOYSA-N	1	0	301.459	3.872	40	0		DHABRO
CCCC[C@H]([NH3+])CCCNc1cc(OC)cc2cccnc21	ZINC000005421944	181242526	/nfs/dbraw/zinc/24/25/26/181242526.db2.gz	SQEGRDNMFLTUEA-HNNXBMFYSA-N	1	0	301.434	3.953	40	0		DHABRO
CC[NH+](CC)CCC[C@@H](C)Nc1ncnc2oc(C)c(C)c21	ZINC000005807591	181285877	/nfs/dbraw/zinc/28/58/77/181285877.db2.gz	PESHUDHSFUXZKS-GFCCVEGCSA-N	1	0	304.438	3.762	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000006355910	181333621	/nfs/dbraw/zinc/33/36/21/181333621.db2.gz	XPSYBIYXGAGNCI-IKGGRYGDSA-N	1	0	305.462	3.814	40	0		DHABRO
CC[C@H](OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1	ZINC000006355957	181333697	/nfs/dbraw/zinc/33/36/97/181333697.db2.gz	FWILNCFMKJDLDO-JFRXWTBNSA-N	1	0	305.462	3.778	40	0		DHABRO
CC[C@H](OC[C@H](O)C[N@H+](C)C1CCCCC1)c1ccccc1	ZINC000006355950	181333769	/nfs/dbraw/zinc/33/37/69/181333769.db2.gz	ZYEJBRMTHITMNI-MOPGFXCFSA-N	1	0	305.462	3.780	40	0		DHABRO
CC(C)[NH+]1CCC(Cc2cccc(-c3nccs3)n2)CC1	ZINC000257334865	203056681	/nfs/dbraw/zinc/05/66/81/203056681.db2.gz	YHRZWABKGSHNIR-UHFFFAOYSA-N	1	0	301.459	3.868	40	0		DHABRO
Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3ncccc3c2)C1	ZINC000257344342	203067422	/nfs/dbraw/zinc/06/74/22/203067422.db2.gz	ZWTWHLBKUUWMAD-KRWDZBQOSA-N	1	0	306.413	3.646	40	0		DHABRO
c1cc(C[NH+]2CCC3(CO[C@@H](COCC4CC4)C3)CC2)cs1	ZINC000096105964	193539398	/nfs/dbraw/zinc/53/93/98/193539398.db2.gz	JZLLFOYLRNKGDX-QGZVFWFLSA-N	1	0	321.486	3.546	40	0		DHABRO
CCc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1	ZINC000010111275	181656807	/nfs/dbraw/zinc/65/68/07/181656807.db2.gz	GTQGCNASPNYLII-UHFFFAOYSA-N	1	0	316.489	3.564	40	0		DHABRO
CC(C)(C)C(=O)N1CC[C@H](c2ccccc2)[C@H]2[NH2+]CCCC[C@H]21	ZINC000019081499	182104550	/nfs/dbraw/zinc/10/45/50/182104550.db2.gz	IQVOTDRLKQAQTK-KZNAEPCWSA-N	1	0	314.473	3.559	40	0		DHABRO
CCCC(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@@H+]2C	ZINC000019501530	182126142	/nfs/dbraw/zinc/12/61/42/182126142.db2.gz	OEBRELAMVBWQDZ-QWFCFKBJSA-N	1	0	314.473	3.656	40	0		DHABRO
CC1CC[NH+](Cc2c3ncccc3[nH]c2-c2cccnc2)CC1	ZINC000019718036	182137615	/nfs/dbraw/zinc/13/76/15/182137615.db2.gz	LTZCPHYRMORSQT-UHFFFAOYSA-N	1	0	306.413	3.857	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)CC1	ZINC000020452821	182218694	/nfs/dbraw/zinc/21/86/94/182218694.db2.gz	CEQORBVDFWFPFW-KRWDZBQOSA-N	1	0	314.473	3.791	40	0		DHABRO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+](C(C)C)C(C)C	ZINC000035052954	182749546	/nfs/dbraw/zinc/74/95/46/182749546.db2.gz	FVWVHROWEIKEIH-AKHDSKFASA-N	1	0	313.526	3.944	40	0		DHABRO
CC(C)(C)OC(=O)N1CC2(CC[NH2+]CC2)c2cc(Cl)ccc21	ZINC000040443092	183067417	/nfs/dbraw/zinc/06/74/17/183067417.db2.gz	FSVVUJLLKROCMU-UHFFFAOYSA-N	1	0	322.836	3.716	40	0		DHABRO
Cc1ccc2ccccc2c1NC(=O)C[NH2+]Cc1ccccc1	ZINC000057462898	184038920	/nfs/dbraw/zinc/03/89/20/184038920.db2.gz	XVTXLJBTLPGVFK-UHFFFAOYSA-N	1	0	304.393	3.877	40	0		DHABRO
C[NH+]1CCC(CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1	ZINC000120222239	195122297	/nfs/dbraw/zinc/12/22/97/195122297.db2.gz	FOHAEYILKAESDF-UHFFFAOYSA-N	1	0	322.452	3.815	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214318	257125873	/nfs/dbraw/zinc/12/58/73/257125873.db2.gz	NCJXSRCIXZWBJY-AWEZNQCLSA-N	1	0	305.422	3.974	40	0		DHABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214394	257126237	/nfs/dbraw/zinc/12/62/37/257126237.db2.gz	HAUNIPIPAFSPKJ-CQSZACIVSA-N	1	0	305.422	3.976	40	0		DHABRO
CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C	ZINC000072214513	257126370	/nfs/dbraw/zinc/12/63/70/257126370.db2.gz	DSXINVWLOVHLFQ-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCC[N@@H+]1C	ZINC000072214813	257126416	/nfs/dbraw/zinc/12/64/16/257126416.db2.gz	PPDBHDODHIOFBK-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1	ZINC000072214540	257126546	/nfs/dbraw/zinc/12/65/46/257126546.db2.gz	QVZVIGPWLDIMQQ-HNNXBMFYSA-N	1	0	319.449	3.904	40	0		DHABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214500	257126673	/nfs/dbraw/zinc/12/66/73/257126673.db2.gz	IBWUMXOEODCTMY-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccc(Oc2ccccc2)c(F)c1	ZINC000237481985	525053625	/nfs/dbraw/zinc/05/36/25/525053625.db2.gz	FNERALZSGWWYDO-GFCCVEGCSA-N	1	0	316.376	3.533	40	0		DHABRO
C[C@H](c1ccc(Cl)cc1)N(CC[NH+](C)C)c1ccccn1	ZINC000001587110	563286090	/nfs/dbraw/zinc/28/60/90/563286090.db2.gz	VNOZVPYTFVZKPD-CQSZACIVSA-N	1	0	303.837	3.864	40	0		DHABRO
CC[C@H](C)[NH+](CCCOC(=O)c1ccc(N)cc1)[C@@H](C)CC	ZINC000001610525	563287316	/nfs/dbraw/zinc/28/73/16/563287316.db2.gz	QWFIELFCSSOVDP-GJZGRUSLSA-N	1	0	306.450	3.715	40	0		DHABRO
O=C(O[C@H](C[n+]1ccccc1)c1ccccc1)c1ccccc1	ZINC000001664741	563289996	/nfs/dbraw/zinc/28/99/96/563289996.db2.gz	IIKPBJBYHAJMJY-LJQANCHMSA-N	1	0	304.369	3.572	40	0		DHABRO
C[C@@H](C[NH+]1CCCC1)[C@](O)(Cc1ccccc1)c1ccccc1	ZINC000001726853	563293814	/nfs/dbraw/zinc/29/38/14/563293814.db2.gz	HAHXIOSXBVTRRT-GHTZIAJQSA-N	1	0	309.453	3.849	40	0		DHABRO
CC(=O)Oc1cccc2[nH]cc(CC[NH+](C(C)C)C(C)C)c21	ZINC000002539027	563308454	/nfs/dbraw/zinc/30/84/54/563308454.db2.gz	ZPAOVGZYDSXCPK-UHFFFAOYSA-N	1	0	302.418	3.755	40	0	in-vitro	DHABRO
Cc1ccc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c(F)c1	ZINC000067802646	563333716	/nfs/dbraw/zinc/33/37/16/563333716.db2.gz	CUXJJLKLYBVWBH-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1ccc2ncccc2c1	ZINC000012143987	563363125	/nfs/dbraw/zinc/36/31/25/563363125.db2.gz	FVUGIGVESJLLPW-OXJNMPFZSA-N	1	0	316.408	3.595	40	0		DHABRO
C[C@@H]1C[C@H](OC[C@@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000012169861	563479599	/nfs/dbraw/zinc/47/95/99/563479599.db2.gz	SVDPJYRFEFQLLO-NJAFHUGGSA-N	1	0	311.510	3.843	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000226724843	563480172	/nfs/dbraw/zinc/48/01/72/563480172.db2.gz	GNUQLAUHEYANBI-IXDOHACOSA-N	1	0	305.462	3.528	40	0		DHABRO
CC[C@H](C)[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100194	563516536	/nfs/dbraw/zinc/51/65/36/563516536.db2.gz	HLMHPFIYXBXSAN-PXNSSMCTSA-N	1	0	314.473	3.832	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccccc1C)CC2	ZINC000585105555	563517159	/nfs/dbraw/zinc/51/71/59/563517159.db2.gz	ZQZMNODVICHIBC-LJQANCHMSA-N	1	0	317.473	3.793	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000095533126	563530512	/nfs/dbraw/zinc/53/05/12/563530512.db2.gz	ZIFHGHPZOZPZEN-FCEWJHQRSA-N	1	0	313.441	3.557	40	0		DHABRO
Cc1ccccc1C[N@H+]1CCC[C@@]12CCCN(C(=O)C(C)C)C2	ZINC000096071310	563532054	/nfs/dbraw/zinc/53/20/54/563532054.db2.gz	CYJRPTIFIAETAY-HXUWFJFHSA-N	1	0	314.473	3.608	40	0		DHABRO
Cc1ccc(C[NH+]2CCC3(CCN(CC(C)C)C3=O)CC2)s1	ZINC000096046768	563532170	/nfs/dbraw/zinc/53/21/70/563532170.db2.gz	RZZGCXLKAZLXFH-UHFFFAOYSA-N	1	0	320.502	3.527	40	0		DHABRO
Cc1ccc(CN2CCC[C@]3(CC[N@H+](Cc4ccco4)C3)C2)o1	ZINC000096215865	563535412	/nfs/dbraw/zinc/53/54/12/563535412.db2.gz	JYTDMDGMDZPZMS-IBGZPJMESA-N	1	0	314.429	3.669	40	0		DHABRO
Cc1oc2ccccc2c1C[N@H+](CCO)Cc1cccs1	ZINC000013997488	563548302	/nfs/dbraw/zinc/54/83/02/563548302.db2.gz	PKFJJMXLQFFVQL-UHFFFAOYSA-N	1	0	301.411	3.797	40	0		DHABRO
c1csc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1	ZINC000107751964	563567149	/nfs/dbraw/zinc/56/71/49/563567149.db2.gz	JHDIDDVJHZMBTB-ROUUACIJSA-N	1	0	321.486	3.546	40	0		DHABRO
C[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F	ZINC000008377374	563642160	/nfs/dbraw/zinc/64/21/60/563642160.db2.gz	UOILAOYLLOWTLI-UHFFFAOYSA-N	1	0	324.193	3.887	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@@H]1CC	ZINC000008731540	563644324	/nfs/dbraw/zinc/64/43/24/563644324.db2.gz	IPQBYUCPQQDSAF-KRWDZBQOSA-N	1	0	319.445	3.931	40	0		DHABRO
CCn1c(C[NH2+]Cc2ccc(OC)cc2)ccc1Cc1ccco1	ZINC000226021671	563767538	/nfs/dbraw/zinc/76/75/38/563767538.db2.gz	PGXTZHLUSHFYEY-UHFFFAOYSA-N	1	0	324.424	3.990	40	0		DHABRO
CC(C)n1nccc1-c1cnc([C@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257204289	563790000	/nfs/dbraw/zinc/79/00/00/563790000.db2.gz	ATWBDXHALCEUOL-HNNXBMFYSA-N	1	0	313.449	3.509	40	0		DHABRO
CCn1nccc1-c1cccc(CC2CC[NH+](C(C)C)CC2)n1	ZINC000257223025	563790658	/nfs/dbraw/zinc/79/06/58/563790658.db2.gz	DVOIZJPBIDUNFE-UHFFFAOYSA-N	1	0	312.461	3.628	40	0		DHABRO
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(F)cc3Cl)C2)n1	ZINC000257230678	563791444	/nfs/dbraw/zinc/79/14/44/563791444.db2.gz	GDJUGRDRQCIECZ-ZDUSSCGKSA-N	1	0	307.800	3.511	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(c2ccccc2Cl)CC1	ZINC000096029432	563836539	/nfs/dbraw/zinc/83/65/39/563836539.db2.gz	KDAXKUJBYPCWQX-UHFFFAOYSA-N	1	0	310.825	3.525	40	0		DHABRO
CCC[N@@H+]1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1	ZINC000019738900	563922865	/nfs/dbraw/zinc/92/28/65/563922865.db2.gz	VZTIUOZUOCIJIZ-ZDUSSCGKSA-N	1	0	319.836	3.841	40	0		DHABRO
Cc1cc2cc(C[NH2+]Cc3ccccc3)c(=O)[nH]c2cc1Cl	ZINC000012493139	563928737	/nfs/dbraw/zinc/92/87/37/563928737.db2.gz	XAGMXIAJUDODSO-UHFFFAOYSA-N	1	0	312.800	3.780	40	0		DHABRO
CC[N@H+](C)[C@H]1CN(C(=O)c2ccccc2)C2(C1)CCCCC2	ZINC000019704915	563930424	/nfs/dbraw/zinc/93/04/24/563930424.db2.gz	IRAJNVRXTZLCIM-QGZVFWFLSA-N	1	0	300.446	3.556	40	0		DHABRO
CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccc2ccccc2c1	ZINC000008300450	565095293	/nfs/dbraw/zinc/09/52/93/565095293.db2.gz	HHOVJIACWDUNEP-ZAAXVRCTSA-N	1	0	322.452	3.690	40	0	biogenic,in-vitro	DHABRO
[NH3+][C@H](c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1	ZINC000113858676	568421875	/nfs/dbraw/zinc/42/18/75/568421875.db2.gz	PXEHHIASXKUAMW-LJQANCHMSA-N	1	0	324.424	3.735	40	0		DHABRO
C[C@H]1CCC[C@H](C)[NH+]1Cc1nc(-c2cccnc2Cl)no1	ZINC000013992547	1022010214	/nfs/dbraw/zinc/01/02/14/1022010214.db2.gz	PNQYUOZSVJQINS-QWRGUYRKSA-N	1	0	306.797	3.548	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1	ZINC000255188110	1030980185	/nfs/dbraw/zinc/98/01/85/1030980185.db2.gz	IOXXRKVKEPGMAY-WKILWMFISA-N	1	0	322.424	3.751	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccccc1F	ZINC000225585160	186280584	/nfs/dbraw/zinc/28/05/84/186280584.db2.gz	VMODGJQYQBVJGB-KRWDZBQOSA-N	1	0	320.452	3.529	40	0		DHABRO
CC1(C(=O)Nc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1	ZINC000225596632	186281771	/nfs/dbraw/zinc/28/17/71/186281771.db2.gz	GDJOMZLRHRKJSD-UHFFFAOYSA-N	1	0	316.445	3.680	40	0		DHABRO
FC(F)(F)c1cccc(-c2nccnc2[C@H]2CCC[NH2+]C2)c1	ZINC000072356389	191129955	/nfs/dbraw/zinc/12/99/55/191129955.db2.gz	TZYJIYLALOSZFI-LBPRGKRZSA-N	1	0	307.319	3.629	40	0		DHABRO
Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cc(C)c(O)c(C)c2)on1	ZINC000072395110	191149071	/nfs/dbraw/zinc/14/90/71/191149071.db2.gz	APANPVWRFNQMKI-FUHWJXTLSA-N	1	0	314.429	3.806	40	0		DHABRO
C[N@H+](Cc1c2cccnc2[nH]c1-c1ccco1)Cc1ccncc1	ZINC000072397101	191149848	/nfs/dbraw/zinc/14/98/48/191149848.db2.gz	XPJATPVRIJFDDG-UHFFFAOYSA-N	1	0	318.380	3.850	40	0		DHABRO
CC(C)[NH2+]C[C@H](C)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000001710542	180890354	/nfs/dbraw/zinc/89/03/54/180890354.db2.gz	WOXWPVLZRSXBLC-INIZCTEOSA-N	1	0	311.425	3.748	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CO[C@H]2C[C@@H](C)CC(C)(C)C2)C1	ZINC000004183205	181082395	/nfs/dbraw/zinc/08/23/95/181082395.db2.gz	SLJQCXKWMCDIOX-SFFUCWETSA-N	1	0	311.510	3.557	40	0		DHABRO
CCOc1ccc(C(=O)CC[NH+]2CCCCCC2)cc1OCC	ZINC000005316953	181229068	/nfs/dbraw/zinc/22/90/68/181229068.db2.gz	UZQLEKMLFCGKPH-UHFFFAOYSA-N	1	0	319.445	3.933	40	0		DHABRO
CC[NH+](CC)CCC[C@H](C)Nc1cc(O)cc2cccnc21	ZINC000005839654	181288261	/nfs/dbraw/zinc/28/82/61/181288261.db2.gz	XVRGMUYTMLBHEJ-AWEZNQCLSA-N	1	0	301.434	3.863	40	0		DHABRO
C[C@H]1C[C@@H](OC[C@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000006008113	181305352	/nfs/dbraw/zinc/30/53/52/181305352.db2.gz	SVDPJYRFEFQLLO-CGTJXYLNSA-N	1	0	311.510	3.843	40	0		DHABRO
O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCCCCC1	ZINC000006057592	181309537	/nfs/dbraw/zinc/30/95/37/181309537.db2.gz	RTHOQIWWCLPWCS-ZDUSSCGKSA-N	1	0	318.244	3.609	40	0		DHABRO
CC[C@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000006355959	181333739	/nfs/dbraw/zinc/33/37/39/181333739.db2.gz	QPXDBTYBCYZQBM-DBVUQKKJSA-N	1	0	313.441	3.866	40	0		DHABRO
C[NH+](C)C[C@H](Oc1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000006437106	181341206	/nfs/dbraw/zinc/34/12/06/181341206.db2.gz	FDNLKUJUVDJABD-INIZCTEOSA-N	1	0	303.789	3.532	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000006455781	181341977	/nfs/dbraw/zinc/34/19/77/181341977.db2.gz	FXMYFPOBYHRDNB-ULQDDVLXSA-N	1	0	305.462	3.813	40	0		DHABRO
Cc1nc(Nc2cccc(C3CC[NH+](C)CC3)n2)sc1C	ZINC000257273226	203002232	/nfs/dbraw/zinc/00/22/32/203002232.db2.gz	NFTHOINYNSSURA-UHFFFAOYSA-N	1	0	302.447	3.708	40	0		DHABRO
Fc1cccc(Cc2cnc([C@@H]3CCC[N@H+](CC4CC4)C3)o2)c1	ZINC000257275806	203003102	/nfs/dbraw/zinc/00/31/02/203003102.db2.gz	NQYRBWBRRFDEMP-MRXNPFEDSA-N	1	0	314.404	3.994	40	0		DHABRO
Cc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CC[NH2+]CC3)CO[C@H]21	ZINC000257303761	203027365	/nfs/dbraw/zinc/02/73/65/203027365.db2.gz	SIOURYQWOSILJO-DOTOQJQBSA-N	1	0	301.430	3.613	40	0		DHABRO
Clc1cccc(N[C@H]2CC[NH2+]C[C@H]2Cc2ccccc2)c1	ZINC000257287217	203013425	/nfs/dbraw/zinc/01/34/25/203013425.db2.gz	POZZUKQONGCSJD-QAPCUYQASA-N	1	0	300.833	3.973	40	0		DHABRO
Cc1nc(-c2ccc(C[C@@H]3CCC[N@@H+](C)C3)cn2)sc1C	ZINC000257289129	203015429	/nfs/dbraw/zinc/01/54/29/203015429.db2.gz	PXBYSUFWABWCFJ-HNNXBMFYSA-N	1	0	301.459	3.706	40	0		DHABRO
c1csc(C[C@@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n1	ZINC000257327303	203052007	/nfs/dbraw/zinc/05/20/07/203052007.db2.gz	XAWNOMCPCIWYIO-AWEZNQCLSA-N	1	0	309.438	3.756	40	0		DHABRO
Fc1ccccc1C[N@@H+]1CC[C@H](c2nc(-c3ccccc3)no2)C1	ZINC000257313509	203039232	/nfs/dbraw/zinc/03/92/32/203039232.db2.gz	USWQNEPQEGHABZ-INIZCTEOSA-N	1	0	323.371	3.865	40	0		DHABRO
CC[C@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000008337093	181550263	/nfs/dbraw/zinc/55/02/63/181550263.db2.gz	VDRFTXCDUNHQCG-QGZVFWFLSA-N	1	0	319.832	3.780	40	0		DHABRO
COc1ccc(Cn2c(C3CC[NH2+]CC3)cc3cccnc32)cc1	ZINC000012222599	181741936	/nfs/dbraw/zinc/74/19/36/181741936.db2.gz	UHMRKGUFIDYXIW-UHFFFAOYSA-N	1	0	321.424	3.560	40	0		DHABRO
CCOc1ccc2[nH]c(=O)c(C[NH2+]Cc3ccc(C)cc3)cc2c1	ZINC000013998773	181919007	/nfs/dbraw/zinc/91/90/07/181919007.db2.gz	CXAUDYCWZXGJLQ-UHFFFAOYSA-N	1	0	322.408	3.525	40	0		DHABRO
COc1ccc2[nH]cc(CC[NH2+]Cc3cccc4[nH]ccc43)c2c1	ZINC000015423527	182001317	/nfs/dbraw/zinc/00/13/17/182001317.db2.gz	WCCNRVUPYJXVNJ-UHFFFAOYSA-N	1	0	319.408	3.990	40	0		DHABRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1	ZINC000017110328	182075788	/nfs/dbraw/zinc/07/57/88/182075788.db2.gz	OVQQEGZJIGLKBO-AOESTNDXSA-N	1	0	321.420	3.861	40	0		DHABRO
C[C@@H]1CCCC[C@@H]1[NH+]1CCN(CCCc2ccccc2)CC1	ZINC000019366847	182118480	/nfs/dbraw/zinc/11/84/80/182118480.db2.gz	ZZAVOYQAGLDQDC-QUCCMNQESA-N	1	0	300.490	3.816	40	0		DHABRO
C[C@@H]1CCCC[C@H]1[NH+]1CCN(CCCc2ccccc2)CC1	ZINC000019366845	182119129	/nfs/dbraw/zinc/11/91/29/182119129.db2.gz	ZZAVOYQAGLDQDC-UYAOXDASSA-N	1	0	300.490	3.816	40	0		DHABRO
COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2)c1	ZINC000019566015	182130070	/nfs/dbraw/zinc/13/00/70/182130070.db2.gz	BBTRJBRIOVGVLB-QKLQHJQFSA-N	1	0	324.424	3.522	40	0		DHABRO
COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccncc2)c1	ZINC000019566013	182130118	/nfs/dbraw/zinc/13/01/18/182130118.db2.gz	BBTRJBRIOVGVLB-UWVAXJGDSA-N	1	0	324.424	3.522	40	0		DHABRO
COc1ccc(C[N@@H+]2CCC[C@@H](c3cc4cccnc4[nH]3)C2)cc1	ZINC000019555189	182130567	/nfs/dbraw/zinc/13/05/67/182130567.db2.gz	PHGXRPREDRUJMC-QGZVFWFLSA-N	1	0	321.424	3.951	40	0		DHABRO
Clc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000019788192	182148314	/nfs/dbraw/zinc/14/83/14/182148314.db2.gz	IMWQSUXPHZJAIV-LZLYRXPVSA-N	1	0	304.865	3.646	40	0		DHABRO
CC(C)CCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000020456797	182219565	/nfs/dbraw/zinc/21/95/65/182219565.db2.gz	LCQFJTLXARLDDX-UHFFFAOYSA-N	1	0	302.462	3.694	40	0		DHABRO
Clc1ccc2c(c1)CCc1cccnc1[C@H]2C1=CC[NH2+]CC1	ZINC000022061511	182307038	/nfs/dbraw/zinc/30/70/38/182307038.db2.gz	ADSCCBORDDPTRQ-SFHVURJKSA-N	1	0	310.828	3.885	40	0	in-vitro	DHABRO
CN(C)CC[NH2+]Cc1ccc(OCc2ccccc2Cl)cc1	ZINC000022075063	182307584	/nfs/dbraw/zinc/30/75/84/182307584.db2.gz	OEDRMNNOTHVTOV-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
COc1ccc2ccccc2c1C[NH2+]C[C@@H](O)c1ccccc1	ZINC000022076115	182308314	/nfs/dbraw/zinc/30/83/14/182308314.db2.gz	NHKBCGFFWHWTST-LJQANCHMSA-N	1	0	307.393	3.672	40	0		DHABRO
CCC[C@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000022512977	182324195	/nfs/dbraw/zinc/32/41/95/182324195.db2.gz	RLOTWPNJUFZWDQ-CVEARBPZSA-N	1	0	302.462	3.837	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1cc(F)cc(F)c1	ZINC000023247853	182355024	/nfs/dbraw/zinc/35/50/24/182355024.db2.gz	MDFNSLFWNSCUDM-UHFFFAOYSA-N	1	0	310.413	3.590	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCC3)cc2)C1	ZINC000038832574	183011077	/nfs/dbraw/zinc/01/10/77/183011077.db2.gz	ILMRSYDPMRVVEF-INIZCTEOSA-N	1	0	314.473	3.981	40	0		DHABRO
Brc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)s2)cc1	ZINC000117849631	194852042	/nfs/dbraw/zinc/85/20/42/194852042.db2.gz	GIVDXXJKNWDIRD-NSHDSACASA-N	1	0	309.232	3.997	40	0		DHABRO
[NH3+][C@@H](c1ccccc1)c1ccc(N2CCc3ccccc32)nc1	ZINC000072225816	257123132	/nfs/dbraw/zinc/12/31/32/257123132.db2.gz	KROXTSGXUOBERP-FQEVSTJZSA-N	1	0	301.393	3.824	40	0		DHABRO
[NH3+][C@@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1	ZINC000072225774	257123835	/nfs/dbraw/zinc/12/38/35/257123835.db2.gz	CRSAWGDBPMTJRA-NRFANRHFSA-N	1	0	315.420	3.692	40	0		DHABRO
CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1	ZINC000072214453	257126611	/nfs/dbraw/zinc/12/66/11/257126611.db2.gz	LCHWPDLITQNXHN-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072207677	257127857	/nfs/dbraw/zinc/12/78/57/257127857.db2.gz	LPJBZPQJQRTGFC-HOTGVXAUSA-N	1	0	304.434	3.737	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]2)n1	ZINC000072209139	257128399	/nfs/dbraw/zinc/12/83/99/257128399.db2.gz	WXNMVSLHKUKFJG-LBPRGKRZSA-N	1	0	307.781	3.603	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCCC[NH2+]2)n1	ZINC000072209131	257128416	/nfs/dbraw/zinc/12/84/16/257128416.db2.gz	QHWMBKNRXCSAAF-CYBMUJFWSA-N	1	0	321.808	3.992	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(F)c2)C1	ZINC000089212727	331819652	/nfs/dbraw/zinc/81/96/52/331819652.db2.gz	JCZZTXLCIZXOCS-HNNXBMFYSA-N	1	0	322.424	3.562	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000260897714	563781494	/nfs/dbraw/zinc/78/14/94/563781494.db2.gz	KNIMVCDNUSUQTQ-ZBFHGGJFSA-N	1	0	322.880	3.713	40	0		DHABRO
Cc1ccc(C(C)C)c(OC[C@@H](O)C[NH+](C(C)C)C(C)C)c1	ZINC000032594535	563442798	/nfs/dbraw/zinc/44/27/98/563442798.db2.gz	YRIJERDLQWQKAS-KRWDZBQOSA-N	1	0	307.478	3.977	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1	ZINC000226724101	563479977	/nfs/dbraw/zinc/47/99/77/563479977.db2.gz	JHQZQXQDMVUSSM-IXDOHACOSA-N	1	0	305.462	3.672	40	0		DHABRO
CC[NH+](CC)C[C@H](OC(=O)c1ccc(N)cc1)c1ccccc1	ZINC000001586350	563286124	/nfs/dbraw/zinc/28/61/24/563286124.db2.gz	PEBXPUDNDKRUQN-SFHVURJKSA-N	1	0	312.413	3.509	40	0		DHABRO
[NH3+]C[C@H](O)c1ccc(Nc2ccnc3cc(Cl)ccc32)cc1	ZINC000001602606	563287531	/nfs/dbraw/zinc/28/75/31/563287531.db2.gz	BHQZWHNQMWUCQP-KRWDZBQOSA-N	1	0	313.788	3.624	40	0		DHABRO
O=C(Oc1ccccc1/C=C/[n+]1ccccc1)c1ccccc1	ZINC000001609524	563287621	/nfs/dbraw/zinc/28/76/21/563287621.db2.gz	MDCQOXGDISLNOT-DTQAZKPQSA-N	1	0	302.353	3.821	40	0		DHABRO
Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@@H](C)[NH+]1CCCC1	ZINC000001712572	563292505	/nfs/dbraw/zinc/29/25/05/563292505.db2.gz	BRBLEMUGJBOMCV-MRXNPFEDSA-N	1	0	319.445	3.732	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1	ZINC000002694369	563311017	/nfs/dbraw/zinc/31/10/17/563311017.db2.gz	RKIYHUWPPCZGFT-WMZOPIPTSA-N	1	0	313.441	3.901	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1	ZINC000002694367	563311335	/nfs/dbraw/zinc/31/13/35/563311335.db2.gz	RKIYHUWPPCZGFT-FUHWJXTLSA-N	1	0	313.441	3.901	40	0		DHABRO
O=C(C[NH2+]C1CCCC1)N1c2ccccc2CCc2ccccc21	ZINC000035311535	563331702	/nfs/dbraw/zinc/33/17/02/563331702.db2.gz	XUOGEEDOITYVCO-UHFFFAOYSA-N	1	0	320.436	3.982	40	0		DHABRO
CCOc1c(Br)cc(C[NH2+][C@H](C)CC)cc1OC	ZINC000008325879	563345697	/nfs/dbraw/zinc/34/56/97/563345697.db2.gz	FCJSECIANIXELN-SNVBAGLBSA-N	1	0	316.239	3.745	40	0		DHABRO
Fc1ccc(COc2cccc(C[NH2+]C[C@H]3CCCO3)c2)cc1	ZINC000016399574	563412138	/nfs/dbraw/zinc/41/21/38/563412138.db2.gz	VMRITMKYJJENJI-LJQANCHMSA-N	1	0	315.388	3.673	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)N3CCCCC3)cc2)CC1	ZINC000035818571	563454002	/nfs/dbraw/zinc/45/40/02/563454002.db2.gz	FCDWHUKZEOSNSX-UHFFFAOYSA-N	1	0	300.446	3.545	40	0		DHABRO
C[N@H+](CCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1	ZINC000068605943	563495875	/nfs/dbraw/zinc/49/58/75/563495875.db2.gz	VEQVCDZYARPSOU-LJQANCHMSA-N	1	0	323.436	3.846	40	0		DHABRO
COc1ccc([C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2[NH2+]C[C@H]2CCOC2)cc1	ZINC000257367421	563515153	/nfs/dbraw/zinc/51/51/53/563515153.db2.gz	PKRIDGKYLLMKGD-NSYSGPAISA-N	1	0	315.457	3.594	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1cccs1)CC2	ZINC000585105419	563516928	/nfs/dbraw/zinc/51/69/28/563516928.db2.gz	WIBDREZXBBEBKB-OAHLLOKOSA-N	1	0	309.475	3.546	40	0		DHABRO
[NH3+]C[C@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295489	563536201	/nfs/dbraw/zinc/53/62/01/563536201.db2.gz	ODGSWXASIYSMHB-IBGZPJMESA-N	1	0	320.392	3.766	40	0		DHABRO
CC(C)Cc1ncc(-c2cncc([C@H]3CCC[N@H+](C)C3)n2)s1	ZINC000585260977	563536306	/nfs/dbraw/zinc/53/63/06/563536306.db2.gz	LCNMSMCCGZBYCX-ZDUSSCGKSA-N	1	0	316.474	3.608	40	0		DHABRO
Clc1ccc2c(-c3cccc([C@@H]4CCC[NH2+]C4)n3)cnn2c1	ZINC000585262816	563537147	/nfs/dbraw/zinc/53/71/47/563537147.db2.gz	IOAYJYRITFYHBR-GFCCVEGCSA-N	1	0	312.804	3.517	40	0		DHABRO
COc1ccc(-c2nc3ccccn3c2NC(C)(C)C)cc1O	ZINC000000411922	563608279	/nfs/dbraw/zinc/60/82/79/563608279.db2.gz	ATWBCLYKGHFOQH-UHFFFAOYSA-N	1	0	311.385	3.926	40	0		DHABRO
Cc1ccccc1C[NH+]1CCC(C(=O)NC2CCCCC2)CC1	ZINC000009062868	563644883	/nfs/dbraw/zinc/64/48/83/563644883.db2.gz	SVAYSEDKGKGGSL-UHFFFAOYSA-N	1	0	314.473	3.656	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)NC1CCCCC1)C2	ZINC000012498995	563652421	/nfs/dbraw/zinc/65/24/21/563652421.db2.gz	LRLKVCCHWYVSDI-ALOPSCKCSA-N	1	0	323.550	3.579	40	0		DHABRO
c1cc(-c2nnc([C@H]3CC[N@@H+](CC4CCCCC4)C3)o2)ccn1	ZINC000049169561	563700834	/nfs/dbraw/zinc/70/08/34/563700834.db2.gz	LKQLCROLDZTHIH-INIZCTEOSA-N	1	0	312.417	3.501	40	0	biogenic,in-vitro	DHABRO
COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4n3C)C2)cc1	ZINC000049171147	563700905	/nfs/dbraw/zinc/70/09/05/563700905.db2.gz	DCPXDOPAQPISCF-INIZCTEOSA-N	1	0	321.424	3.571	40	0	biogenic,in-vitro	DHABRO
COc1cc(C=O)ccc1OCCCC[N@@H+]1CCCC[C@@H]1C	ZINC000217797330	563714544	/nfs/dbraw/zinc/71/45/44/563714544.db2.gz	QSFBZJHQZMACKW-HNNXBMFYSA-N	1	0	305.418	3.541	40	0		DHABRO
COc1cccc(C=O)c1OCCCC[N@@H+]1CCCC[C@H]1C	ZINC000217792686	563714745	/nfs/dbraw/zinc/71/47/45/563714745.db2.gz	IHSUEFLVDRNMMB-OAHLLOKOSA-N	1	0	305.418	3.541	40	0		DHABRO
Cc1cc(N2CC[NH2+]CC2)c2cccc(Oc3ccccc3)c2n1	ZINC000225322339	563752268	/nfs/dbraw/zinc/75/22/68/563752268.db2.gz	MYRGWYKGNXGNHY-UHFFFAOYSA-N	1	0	319.408	3.745	40	0		DHABRO
FC(F)(F)c1ccc(C[N@@H+]2CCC[C@H]2c2cnccn2)cc1	ZINC000257253357	563792314	/nfs/dbraw/zinc/79/23/14/563792314.db2.gz	JYOAZPMFYGREIF-HNNXBMFYSA-N	1	0	307.319	3.833	40	0		DHABRO
Cc1c[nH]c([C@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1	ZINC000257265180	563792672	/nfs/dbraw/zinc/79/26/72/563792672.db2.gz	LXQKLHBPKOSFSQ-CYBMUJFWSA-N	1	0	303.431	3.880	40	0		DHABRO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000001227958	563820636	/nfs/dbraw/zinc/82/06/36/563820636.db2.gz	GOJANQILHWLMMS-NCXUSEDFSA-N	1	0	311.510	3.557	40	0		DHABRO
Cc1nc(N2Cc3ccccc3CC2(C)C)cc(NC(C)C)[nH+]1	ZINC000328993050	563832709	/nfs/dbraw/zinc/83/27/09/563832709.db2.gz	IYCXNQMDSXQBIX-UHFFFAOYSA-N	1	0	310.445	3.947	40	0		DHABRO
Cc1nc(N2Cc3ccccc3C(C)(C)C2)cc(NC(C)C)[nH+]1	ZINC000329024565	563833966	/nfs/dbraw/zinc/83/39/66/563833966.db2.gz	PBBMJPNGOPBZOM-UHFFFAOYSA-N	1	0	310.445	3.903	40	0		DHABRO
CC[N@H+](C[C@@H](O)COc1cccc(C)c1C)C1CCCCC1	ZINC000026780464	563873467	/nfs/dbraw/zinc/87/34/67/563873467.db2.gz	GGXUGBBTPCXPIK-GOSISDBHSA-N	1	0	305.462	3.698	40	0		DHABRO
CCc1ccc2[nH]c(=O)c(C[NH2+]CCc3cccc(C)c3)cc2c1	ZINC000012468815	563928735	/nfs/dbraw/zinc/92/87/35/563928735.db2.gz	TUVJNYRTXOWVMI-UHFFFAOYSA-N	1	0	320.436	3.731	40	0		DHABRO
CCOc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C	ZINC000095095397	563930920	/nfs/dbraw/zinc/93/09/20/563930920.db2.gz	AQNYDELVONKIJC-AWEZNQCLSA-N	1	0	301.390	3.567	40	0		DHABRO
Cc1ccccc1O[C@H]1CCCC[C@H]1N1CC[NH2+][C@@H]2CCC[C@@H]21	ZINC000225717980	563938425	/nfs/dbraw/zinc/93/84/25/563938425.db2.gz	FUJSTKVKXGEKGI-RMJJICAUSA-N	1	0	314.473	3.511	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@H](C)CC)[nH+]1	ZINC000328998059	563960352	/nfs/dbraw/zinc/96/03/52/563960352.db2.gz	JRWBASWHQCPSEN-HUUCEWRRSA-N	1	0	324.472	4.201	40	0		DHABRO
C[C@@H]([NH2+]CCCSc1ccccc1)[C@@H](O)c1ccc(O)cc1	ZINC000001565067	568412311	/nfs/dbraw/zinc/41/23/11/568412311.db2.gz	KNPDZXNZIJNVNH-RDTXWAMCSA-N	1	0	317.454	3.586	40	0		DHABRO
Cc1ccc(-c2c[n+](Cc3ccccc3F)c3n2CCC3)cc1	ZINC000027753714	568421870	/nfs/dbraw/zinc/42/18/70/568421870.db2.gz	QHAWGDOFDLRYSJ-UHFFFAOYSA-N	1	0	307.392	3.885	40	0		DHABRO
c1csc([C@@H]2CCC[N@@H+](CC3=Cc4ccccc4OC3)C2)n1	ZINC000092788737	185341400	/nfs/dbraw/zinc/34/14/00/185341400.db2.gz	SSIFKBCLOCMUMT-MRXNPFEDSA-N	1	0	312.438	3.799	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1F	ZINC000225581313	186279842	/nfs/dbraw/zinc/27/98/42/186279842.db2.gz	SNAYEQBCNPZXHV-CQSZACIVSA-N	1	0	323.481	3.767	40	0		DHABRO
C[C@@H]1CCCC[N@@H+]1CCOc1ccc(NC(=O)C(C)(C)C)cc1	ZINC000225592237	186280978	/nfs/dbraw/zinc/28/09/78/186280978.db2.gz	IMHVBMVSVPCFIP-OAHLLOKOSA-N	1	0	318.461	3.924	40	0		DHABRO
Fc1ccccc1C[N@@H+]1CCC[C@H]1c1cccc(-n2ccnc2)n1	ZINC000072355430	191128914	/nfs/dbraw/zinc/12/89/14/191128914.db2.gz	DHTUKQZEARSKPA-SFHVURJKSA-N	1	0	322.387	3.744	40	0		DHABRO
Cc1nc(Nc2nccs2)cc([C@@H]2CCC[N@H+]2C(C)C)n1	ZINC000072360151	191130460	/nfs/dbraw/zinc/13/04/60/191130460.db2.gz	ITPMPJKTVYWWJV-ZDUSSCGKSA-N	1	0	303.435	3.530	40	0		DHABRO
Cc1nc(Nc2nccs2)cc([C@H]2CCC[N@H+]2C(C)C)n1	ZINC000072360152	191131632	/nfs/dbraw/zinc/13/16/32/191131632.db2.gz	ITPMPJKTVYWWJV-CYBMUJFWSA-N	1	0	303.435	3.530	40	0		DHABRO
c1ccc2c(c1)cncc2C[C@H]1CC[N@H+](Cc2ccncc2)C1	ZINC000072367959	191137316	/nfs/dbraw/zinc/13/73/16/191137316.db2.gz	CXZYEKBNQCPJBV-QGZVFWFLSA-N	1	0	303.409	3.694	40	0		DHABRO
Cc1ncccc1Oc1nccnc1[C@H]1CCC[N@@H+](C(C)C)C1	ZINC000072383514	191143810	/nfs/dbraw/zinc/14/38/10/191143810.db2.gz	ZSOUVQTVDJWYPQ-HNNXBMFYSA-N	1	0	312.417	3.560	40	0		DHABRO
C[NH+]1CCC(C(=O)Nc2ccc(OCc3ccccc3)cc2)CC1	ZINC000072792901	191228566	/nfs/dbraw/zinc/22/85/66/191228566.db2.gz	CFSZPKZKXIKYBH-UHFFFAOYSA-N	1	0	324.424	3.546	40	0		DHABRO
CN(C(=O)OCc1ccccc1)[C@@H](C[NH+]1CCCC1)C(C)(C)C	ZINC000004255667	181088310	/nfs/dbraw/zinc/08/83/10/181088310.db2.gz	AXKMZANHFOJKST-KRWDZBQOSA-N	1	0	318.461	3.766	40	0		DHABRO
S=C(Nc1ccccc1)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1	ZINC000004856987	181163909	/nfs/dbraw/zinc/16/39/09/181163909.db2.gz	RSUHUEUPLLOEOC-ZXFUBFMLSA-N	1	0	315.486	3.521	40	0		DHABRO
CCC(=O)O[C@]1(c2ccccc2)CC[N@H+](CC2CC2)C[C@@H]1C	ZINC000005046332	181196133	/nfs/dbraw/zinc/19/61/33/181196133.db2.gz	FGZVDOOZHOVBIL-HNAYVOBHSA-N	1	0	301.430	3.587	40	0		DHABRO
COc1ccc(/C=C/[C@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000005639894	181267324	/nfs/dbraw/zinc/26/73/24/181267324.db2.gz	GDNSQQLLCBYQEJ-IKGZYHIYSA-N	1	0	315.457	3.581	40	0		DHABRO
CC1(C)CC(NC(=O)Nc2cccc(Cl)c2)CC(C)(C)[NH2+]1	ZINC000005839255	181288263	/nfs/dbraw/zinc/28/82/63/181288263.db2.gz	LPBUQMZPDURORZ-UHFFFAOYSA-N	1	0	309.841	3.771	40	0		DHABRO
Cc1cc(Cl)ccc1OC[C@H](O)C[N@@H+](C)C1CCCCC1	ZINC000006008712	181305419	/nfs/dbraw/zinc/30/54/19/181305419.db2.gz	RAJBMWRBCRIGKM-MRXNPFEDSA-N	1	0	311.853	3.653	40	0		DHABRO
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccccc2C(C)(C)C)C1	ZINC000006008108	181305843	/nfs/dbraw/zinc/30/58/43/181305843.db2.gz	VMQLBGCPIVMCQJ-ULQDDVLXSA-N	1	0	319.489	3.702	40	0		DHABRO
Cc1ccc(C)c(NC(=S)NCCC[NH+]2CCC(C)CC2)c1	ZINC000007027255	181432641	/nfs/dbraw/zinc/43/26/41/181432641.db2.gz	LGZAWAAOWULQCF-UHFFFAOYSA-N	1	0	319.518	3.712	40	0		DHABRO
c1csc(C[N@@H+]2CC[C@H](c3nc(-c4cccs4)no3)C2)c1	ZINC000019343389	182117118	/nfs/dbraw/zinc/11/71/18/182117118.db2.gz	PMLQNIZCWSWBAX-NSHDSACASA-N	1	0	317.439	3.849	40	0		DHABRO
Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccccc2Cl)cc1	ZINC000019349568	182117959	/nfs/dbraw/zinc/11/79/59/182117959.db2.gz	KAAISBGMIYMFGJ-DOTOQJQBSA-N	1	0	305.780	3.751	40	0		DHABRO
CSc1ccc(CN2CC[NH+]([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000019359002	182117995	/nfs/dbraw/zinc/11/79/95/182117995.db2.gz	LUWOIMACUYDCNE-YQVWRLOYSA-N	1	0	316.514	3.715	40	0		DHABRO
Fc1ccc(-c2n[nH]c3c2C[N@H+](Cc2ccccc2)CC3)cc1	ZINC000019372297	182121190	/nfs/dbraw/zinc/12/11/90/182121190.db2.gz	HXLUKBAZQVQNRK-UHFFFAOYSA-N	1	0	307.372	3.774	40	0		DHABRO
Cc1ccc(OC[C@H](O)C[NH+]2C(C)(C)CCCC2(C)C)cc1	ZINC000027666037	182487286	/nfs/dbraw/zinc/48/72/86/182487286.db2.gz	PKYYEHCFPBUZQR-MRXNPFEDSA-N	1	0	305.462	3.778	40	0		DHABRO
O=C(OCc1ccccc1)N1CCC[C@H]([NH2+]Cc2ccccc2)C1	ZINC000039952199	183023975	/nfs/dbraw/zinc/02/39/75/183023975.db2.gz	YEJYYIHYDOLTNI-IBGZPJMESA-N	1	0	324.424	3.577	40	0		DHABRO
CC(C)(C)OC(=O)N1CCCC2(C[NH+](Cc3ccccc3)C2)C1	ZINC000040449922	183068460	/nfs/dbraw/zinc/06/84/60/183068460.db2.gz	QBDMXAWIOLJMAS-UHFFFAOYSA-N	1	0	316.445	3.520	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000060322498	184146317	/nfs/dbraw/zinc/14/63/17/184146317.db2.gz	AQYLZKHXIRGHDO-CQSZACIVSA-N	1	0	322.880	3.713	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@H]2CCC[C@@H]21	ZINC000252515019	257106635	/nfs/dbraw/zinc/10/66/35/257106635.db2.gz	FUJSTKVKXGEKGI-CGBFIWBNSA-N	1	0	314.473	3.511	40	0		DHABRO
Cc1cc(N(C)C)ncc1[C@H]1CCCCN1C(=O)c1ccccc1	ZINC000072218717	257124336	/nfs/dbraw/zinc/12/43/36/257124336.db2.gz	ZOWWGYWBSCVTGW-GOSISDBHSA-N	1	0	323.440	3.823	40	0		DHABRO
CNc1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)c(C)n1	ZINC000072219136	257124557	/nfs/dbraw/zinc/12/45/57/257124557.db2.gz	VBNBIFZHOUVEMM-KRWDZBQOSA-N	1	0	309.413	3.799	40	0		DHABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214319	257125889	/nfs/dbraw/zinc/12/58/89/257125889.db2.gz	NFLSYUTZKQRFTB-CQSZACIVSA-N	1	0	305.422	3.976	40	0		DHABRO
CCC[N@@H+]1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C	ZINC000072214380	257126159	/nfs/dbraw/zinc/12/61/59/257126159.db2.gz	YAWHDDMFCOZZIY-AWEZNQCLSA-N	1	0	305.422	3.976	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C	ZINC000072214784	257126197	/nfs/dbraw/zinc/12/61/97/257126197.db2.gz	LSHVDJPNNJFOJH-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCC[NH2+]2)n1	ZINC000072209138	257127961	/nfs/dbraw/zinc/12/79/61/257127961.db2.gz	ZGUXBGQEUVEYCY-CYBMUJFWSA-N	1	0	321.808	3.993	40	0		DHABRO
Cc1cc(N2CCc3cc(Cl)ccc3C2)nc(NC2CC2)[nH+]1	ZINC000328957683	533912978	/nfs/dbraw/zinc/91/29/78/533912978.db2.gz	AKYMZNXMNNABAJ-UHFFFAOYSA-N	1	0	314.820	3.575	40	0		DHABRO
Cc1cccc(OCC(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000005981707	524719556	/nfs/dbraw/zinc/71/95/56/524719556.db2.gz	AAKBVMGJWJFYDH-UHFFFAOYSA-N	1	0	324.424	3.608	40	0		DHABRO
COc1cccc(C=O)c1OCCCC[NH+]1CCCCCC1	ZINC000217793050	563714424	/nfs/dbraw/zinc/71/44/24/563714424.db2.gz	PCJRZYVSPNXKBB-UHFFFAOYSA-N	1	0	305.418	3.543	40	0		DHABRO
CC[NH+](CC)[C@@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001586356	563286460	/nfs/dbraw/zinc/28/64/60/563286460.db2.gz	NOOZFQJIKQXDCX-KRWDZBQOSA-N	1	0	324.468	3.578	40	0		DHABRO
CC[NH+](CC)CCC[C@H](C)Nc1ncnc2ccc(OC)cc21	ZINC000001873653	563297112	/nfs/dbraw/zinc/29/71/12/563297112.db2.gz	HMNVCGOGXCDHBT-AWEZNQCLSA-N	1	0	316.449	3.561	40	0		DHABRO
O=C(/C=C/c1ccccc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000008011583	563343926	/nfs/dbraw/zinc/34/39/26/563343926.db2.gz	WGYDEPZFPQMHIJ-OUKQBFOZSA-N	1	0	320.436	3.612	40	0		DHABRO
CCOc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1OCC	ZINC000008324913	563345663	/nfs/dbraw/zinc/34/56/63/563345663.db2.gz	IWFGTAZGNVDEJW-UHFFFAOYSA-N	1	0	303.377	3.913	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccccn2)c1	ZINC000012085263	563361659	/nfs/dbraw/zinc/36/16/59/563361659.db2.gz	YBKLQPLDFPGHIL-OXFYSEKESA-N	1	0	324.424	3.522	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@@H]([NH3+])c2ccccc2)CC1	ZINC000219389386	563375496	/nfs/dbraw/zinc/37/54/96/563375496.db2.gz	JAIJWTGWXNIDPS-MRXNPFEDSA-N	1	0	304.434	3.724	40	0		DHABRO
CC1CC[NH+](CCCNC(=O)c2ccc(C(C)(C)C)cc2)CC1	ZINC000013670082	563384959	/nfs/dbraw/zinc/38/49/59/563384959.db2.gz	RVUXJQSYJCNWIO-UHFFFAOYSA-N	1	0	316.489	3.836	40	0		DHABRO
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1	ZINC000036655888	563457251	/nfs/dbraw/zinc/45/72/51/563457251.db2.gz	HDWDFQCOCPBEAT-BQFCYCMXSA-N	1	0	319.489	3.702	40	0		DHABRO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000044790125	563462496	/nfs/dbraw/zinc/46/24/96/563462496.db2.gz	GYPZEYWXRZTKMK-GOEBONIOSA-N	1	0	322.880	3.857	40	0		DHABRO
CO[C@@H]1CC[N@H+](Cc2scnc2C)C[C@@H]1Cc1ccccc1	ZINC000096110178	563533496	/nfs/dbraw/zinc/53/34/96/563533496.db2.gz	MFPNBUVLKJQQBL-DLBZAZTESA-N	1	0	316.470	3.531	40	0		DHABRO
O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]C1CCCC1	ZINC000585288801	563542321	/nfs/dbraw/zinc/54/23/21/563542321.db2.gz	JKXOIJVXXUWFMU-GVDBMIGSSA-N	1	0	309.837	3.533	40	0		DHABRO
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCCCC3)[C@H]2O)c1	ZINC000585288448	563543403	/nfs/dbraw/zinc/54/34/03/563543403.db2.gz	AUGIHMZXTNTSFN-IPMKNSEASA-N	1	0	303.446	3.578	40	0		DHABRO
c1ccc2c(c1)CCN(c1ccnc(NC3CCCCC3)n1)C2	ZINC000244142976	563604468	/nfs/dbraw/zinc/60/44/68/563604468.db2.gz	UQKDAUPVMFDJAE-UHFFFAOYSA-N	1	0	308.429	3.784	40	0		DHABRO
Cn1c(C[NH2+]C2CCCCC2)nnc1SCc1ccccc1	ZINC000005001653	563623726	/nfs/dbraw/zinc/62/37/26/563623726.db2.gz	MLSNUBARLGORJD-UHFFFAOYSA-N	1	0	316.474	3.530	40	0		DHABRO
CCOc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000000514851	563630254	/nfs/dbraw/zinc/63/02/54/563630254.db2.gz	HIHPTEMFYLXZGA-UHFFFAOYSA-N	1	0	324.424	3.933	40	0		DHABRO
COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1OC	ZINC000001648450	563633957	/nfs/dbraw/zinc/63/39/57/563633957.db2.gz	SKVZMKWCURTNKK-IYBDPMFKSA-N	1	0	313.441	3.856	40	0	in-man	DHABRO
COc1ccc(CC[NH2+]Cc2ccc3ccccc3n2)cc1OC	ZINC000001718157	563634351	/nfs/dbraw/zinc/63/43/51/563634351.db2.gz	WHQBOHYVTSHKSR-UHFFFAOYSA-N	1	0	322.408	3.584	40	0		DHABRO
Clc1ccc(-c2nnc([C@H]3CC[N@@H+](C4CCC4)C3)o2)cc1	ZINC000049169407	563701171	/nfs/dbraw/zinc/70/11/71/563701171.db2.gz	DIEGGOZVIIIQMP-LBPRGKRZSA-N	1	0	303.793	3.732	40	0	biogenic,in-vitro	DHABRO
CC(C)[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Cl)C1	ZINC000225229206	563750495	/nfs/dbraw/zinc/75/04/95/563750495.db2.gz	KNIMVCDNUSUQTQ-GDBMZVCRSA-N	1	0	322.880	3.713	40	0		DHABRO
[NH3+]CCc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccc1	ZINC000225295470	563751681	/nfs/dbraw/zinc/75/16/81/563751681.db2.gz	GWFNULWJYXBVIQ-UHFFFAOYSA-N	1	0	320.223	3.893	40	0		DHABRO
Cc1cnc(C2(C)CC[NH+](Cc3ccnn3C(C)C)CC2)s1	ZINC000257202860	563789685	/nfs/dbraw/zinc/78/96/85/563789685.db2.gz	ANSAYIMSTUCFJF-UHFFFAOYSA-N	1	0	318.490	3.783	40	0		DHABRO
CC(C)C[N@@H+]1CC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1	ZINC000257220034	563791031	/nfs/dbraw/zinc/79/10/31/563791031.db2.gz	DJGBQRUVMVYIIN-HNNXBMFYSA-N	1	0	302.393	3.850	40	0		DHABRO
Fc1cccc(Cc2cnc([C@H]3CCC[N@@H+]3CC3CC3)o2)c1	ZINC000257245783	563791628	/nfs/dbraw/zinc/79/16/28/563791628.db2.gz	IRBCWEXNCKEBHV-QGZVFWFLSA-N	1	0	300.377	3.951	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1	ZINC000257235357	563791797	/nfs/dbraw/zinc/79/17/97/563791797.db2.gz	GXMHMWOCXKXXDZ-OAHLLOKOSA-N	1	0	302.393	3.992	40	0		DHABRO
Clc1ccc2oc([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1	ZINC000035446457	563867306	/nfs/dbraw/zinc/86/73/06/563867306.db2.gz	MBMKVWWCKUCZAT-LBPRGKRZSA-N	1	0	313.788	3.866	40	0	biogenic,in-vitro	DHABRO
CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2)CC1	ZINC000067800574	563868737	/nfs/dbraw/zinc/86/87/37/563868737.db2.gz	GTLJAXJIVAQLFI-UHFFFAOYSA-N	1	0	324.852	3.829	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCCC[C@H]1N1CC[NH2+][C@@H]2CCC[C@@H]21	ZINC000225717962	563938342	/nfs/dbraw/zinc/93/83/42/563938342.db2.gz	FUJSTKVKXGEKGI-AJYBTWMASA-N	1	0	314.473	3.511	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2	ZINC000001459702	1020362455	/nfs/dbraw/zinc/36/24/55/1020362455.db2.gz	ANEGKXXUNGIDBD-VJUZUDGASA-N	1	0	320.436	3.594	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000009063241	1021536354	/nfs/dbraw/zinc/53/63/54/1021536354.db2.gz	BQUBOEDQOXKHOX-UHFFFAOYSA-N	1	0	322.880	3.858	40	0		DHABRO
Cc1ccc(CN(CCC[NH+](C)C)Cc2ccccn2)cc1C	ZINC000013990696	1022009698	/nfs/dbraw/zinc/00/96/98/1022009698.db2.gz	MYAHEFWWSPPBHF-UHFFFAOYSA-N	1	0	311.473	3.652	40	0		DHABRO
C[NH+]1CCC(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1	ZINC000074713441	185011663	/nfs/dbraw/zinc/01/16/63/185011663.db2.gz	MCBFGOXMGDDVJF-UHFFFAOYSA-N	1	0	320.742	3.639	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H](Cc2cncc(Br)c2)CC1	ZINC000072366097	191135441	/nfs/dbraw/zinc/13/54/41/191135441.db2.gz	QLPJJMVBBPFKRH-CYBMUJFWSA-N	1	0	311.267	3.897	40	0		DHABRO
CC(C)(C)C[N@@H+]1CCC[C@H]1c1cccc(Nc2cnccn2)n1	ZINC000072375164	191139531	/nfs/dbraw/zinc/13/95/31/191139531.db2.gz	YUSGQHZGPXAEIZ-HNNXBMFYSA-N	1	0	311.433	3.798	40	0		DHABRO
Cc1cnc2[nH]c(C(C)C)c(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2c1	ZINC000072395262	191149336	/nfs/dbraw/zinc/14/93/36/191149336.db2.gz	VMCZPRQLNYTVSC-OKILXGFUSA-N	1	0	301.434	3.604	40	0		DHABRO
CC(C)(CO)CCCn1cncc1-c1cnn(-c2ccccc2)c1	ZINC000072399283	191149911	/nfs/dbraw/zinc/14/99/11/191149911.db2.gz	PWFOIVNZHPTCQY-UHFFFAOYSA-N	1	0	324.428	3.535	40	0		DHABRO
CCN(CC)c1ccc(C(=O)OCC[NH2+]C2CCCCC2)cc1	ZINC000001710564	180890375	/nfs/dbraw/zinc/89/03/75/180890375.db2.gz	GEVGKUJSAMSUEK-UHFFFAOYSA-N	1	0	318.461	3.612	40	0		DHABRO
Fc1ccc(Cn2c3ccccc3nc2C2CC[NH2+]CC2)cc1	ZINC000002546916	180933791	/nfs/dbraw/zinc/93/37/91/180933791.db2.gz	DFMUEGPNKVVNAS-UHFFFAOYSA-N	1	0	309.388	3.691	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@H](C[NH+]2CCCCC2)O1	ZINC000004185208	181083048	/nfs/dbraw/zinc/08/30/48/181083048.db2.gz	IUQYLYYXKZJRJM-FLXSYLCISA-N	1	0	307.478	3.676	40	0		DHABRO
CCOc1ccc([C@@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000004934813	181174864	/nfs/dbraw/zinc/17/48/64/181174864.db2.gz	MNYJQKCSJIWMBZ-BXWFABGCSA-N	1	0	303.446	3.631	40	0		DHABRO
COc1ccc(/C=C\[C@@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000004934875	181175062	/nfs/dbraw/zinc/17/50/62/181175062.db2.gz	GDNSQQLLCBYQEJ-MFDNEJIUSA-N	1	0	315.457	3.581	40	0		DHABRO
CCOc1ccc([C@H](O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000004934811	181175087	/nfs/dbraw/zinc/17/50/87/181175087.db2.gz	MNYJQKCSJIWMBZ-TXPKVOOTSA-N	1	0	303.446	3.631	40	0		DHABRO
CCCC[NH2+]CC[C@]1(c2ccccc2)c2ccccc2OC1=O	ZINC000005973551	181302815	/nfs/dbraw/zinc/30/28/15/181302815.db2.gz	AODFLRSUTRNJRQ-FQEVSTJZSA-N	1	0	309.409	3.672	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000006455366	181342237	/nfs/dbraw/zinc/34/22/37/181342237.db2.gz	GNUQLAUHEYANBI-ZACQAIPSSA-N	1	0	305.462	3.528	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1ccc(-c3ccccc3)o1)C2	ZINC000006995550	181430516	/nfs/dbraw/zinc/43/05/16/181430516.db2.gz	ZWBZWJPGCVOBFD-XYPWUTKMSA-N	1	0	311.381	3.729	40	0		DHABRO
Cc1c[nH]c([C@H]2CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)n1	ZINC000257272604	203002909	/nfs/dbraw/zinc/00/29/09/203002909.db2.gz	NDASRKKRNNVFLP-ZDUSSCGKSA-N	1	0	312.392	3.636	40	0		DHABRO
Fc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCC[NH2+][C@@H]23)cc1	ZINC000257286066	203014103	/nfs/dbraw/zinc/01/41/03/203014103.db2.gz	PKAQOSIRGBKHRJ-UFYCRDLUSA-N	1	0	310.416	3.546	40	0		DHABRO
Cc1nc(Nc2cc(C)nc([C@@H]3CCC[NH2+]C3)c2)sc1C	ZINC000257314826	203037718	/nfs/dbraw/zinc/03/77/18/203037718.db2.gz	UYQHGSQPEJOQFO-CYBMUJFWSA-N	1	0	302.447	3.674	40	0		DHABRO
c1csc(C[C@H]2CC[N@H+](Cc3ccnc4ccccc34)C2)n1	ZINC000257327304	203050173	/nfs/dbraw/zinc/05/01/73/203050173.db2.gz	XAWNOMCPCIWYIO-CQSZACIVSA-N	1	0	309.438	3.756	40	0		DHABRO
CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)n1	ZINC000019084611	182104343	/nfs/dbraw/zinc/10/43/43/182104343.db2.gz	SVTNAKXPBOQHPC-LBPRGKRZSA-N	1	0	321.371	3.635	40	0		DHABRO
Fc1ccc([C@@H]2COC[C@H]2[NH2+]Cc2ccc(Cl)cc2)cc1	ZINC000019334707	182117221	/nfs/dbraw/zinc/11/72/21/182117221.db2.gz	PJTZQEBDMODSGL-DLBZAZTESA-N	1	0	305.780	3.751	40	0		DHABRO
c1csc(-c2noc([C@@H]3CC[N@@H+](Cc4ccsc4)C3)n2)c1	ZINC000019344694	182117718	/nfs/dbraw/zinc/11/77/18/182117718.db2.gz	KOIGCNRRLSWDRI-GFCCVEGCSA-N	1	0	317.439	3.849	40	0		DHABRO
COCCC[N@H+](Cc1ccccn1)Cc1ccnc2ccccc12	ZINC000019593288	182133229	/nfs/dbraw/zinc/13/32/29/182133229.db2.gz	DVSUCWNBVTYJJT-UHFFFAOYSA-N	1	0	321.424	3.669	40	0		DHABRO
CCCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccc(C)cc1	ZINC000035290316	182768099	/nfs/dbraw/zinc/76/80/99/182768099.db2.gz	LYBYVMGPMFNGFC-YQQQUEKLSA-N	1	0	314.473	3.797	40	0		DHABRO
CCC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214499	257125823	/nfs/dbraw/zinc/12/58/23/257125823.db2.gz	IBWUMXOEODCTMY-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C	ZINC000072214903	257125904	/nfs/dbraw/zinc/12/59/04/257125904.db2.gz	UQCWOTAVSGPSEK-HNNXBMFYSA-N	1	0	319.449	3.998	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214489	257125920	/nfs/dbraw/zinc/12/59/20/257125920.db2.gz	VSMRKWUJCNCLKE-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[N@@H+]2CC)cn1	ZINC000072214610	257126654	/nfs/dbraw/zinc/12/66/54/257126654.db2.gz	MJOBDHGTKGEHGY-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
C[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000263619626	257215032	/nfs/dbraw/zinc/21/50/32/257215032.db2.gz	ZRIOXPTUXZMMNF-QAQDUYKDSA-N	1	0	318.461	3.954	40	0		DHABRO
c1nc([C@H]2CCC[N@H+]2CC2CC2)c2ccc(-c3cccnc3)cn12	ZINC000306144875	534534116	/nfs/dbraw/zinc/53/41/16/534534116.db2.gz	ZREWWLONGKQZMM-GOSISDBHSA-N	1	0	318.424	3.943	40	0		DHABRO
Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(F)cc4)C3)nc2c1	ZINC000049168992	560084985	/nfs/dbraw/zinc/08/49/85/560084985.db2.gz	CAZNMUYIXLSFCC-HNNXBMFYSA-N	1	0	309.388	4.000	40	0	biogenic,in-vitro	DHABRO
Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccc2ncccc2c1	ZINC000012143988	563362979	/nfs/dbraw/zinc/36/29/79/563362979.db2.gz	FVUGIGVESJLLPW-UZLBHIALSA-N	1	0	316.408	3.595	40	0		DHABRO
c1ccc2c(c1)N[C@H](c1cccc3cccnc31)N1CCC[NH+]=C21	ZINC000012144188	563363428	/nfs/dbraw/zinc/36/34/28/563363428.db2.gz	BVEKBIFVUXRGMC-FQEVSTJZSA-N	1	0	314.392	3.811	40	0		DHABRO
O=C(NCc1cccc(C[NH+]2CCCC2)c1)Nc1ccccc1	ZINC000031664294	563440379	/nfs/dbraw/zinc/44/03/79/563440379.db2.gz	QVEMBGIXEOQRLU-UHFFFAOYSA-N	1	0	309.413	3.604	40	0		DHABRO
CCOc1ccc([C@H](O)C[N@H+](C)Cc2ccccc2)cc1Cl	ZINC000031911881	563441483	/nfs/dbraw/zinc/44/14/83/563441483.db2.gz	OMDIBWATEJSJEB-QGZVFWFLSA-N	1	0	319.832	3.904	40	0		DHABRO
O=C(Cc1ccccc1)NCc1ccc(C[NH+]2CCCCC2)cc1	ZINC000044873259	563462939	/nfs/dbraw/zinc/46/29/39/563462939.db2.gz	NMSSMVJVYUDBSU-UHFFFAOYSA-N	1	0	322.452	3.531	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@H]1C	ZINC000245318932	563480010	/nfs/dbraw/zinc/48/00/10/563480010.db2.gz	XPSYBIYXGAGNCI-GVDBMIGSSA-N	1	0	305.462	3.814	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000248188923	563480055	/nfs/dbraw/zinc/48/00/55/563480055.db2.gz	JMGJDVRKPVEILW-ZJPYXAASSA-N	1	0	319.489	3.918	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[NH2+]Cc2ccc(F)cc2)CC1	ZINC000089212603	563484240	/nfs/dbraw/zinc/48/42/40/563484240.db2.gz	KOUYUMZVXMRSFG-UHFFFAOYSA-N	1	0	322.424	3.562	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2F)C1	ZINC000089212723	563484243	/nfs/dbraw/zinc/48/42/43/563484243.db2.gz	WSHIXPRCKVXCHM-AWEZNQCLSA-N	1	0	322.424	3.562	40	0		DHABRO
CC[C@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC	ZINC000096524938	563486099	/nfs/dbraw/zinc/48/60/99/563486099.db2.gz	JNBSFQJXABHEKT-MSOLQXFVSA-N	1	0	317.454	3.567	40	0		DHABRO
Cc1ccc(F)cc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1	ZINC000067802663	563491743	/nfs/dbraw/zinc/49/17/43/563491743.db2.gz	JBUFLCFWZQLRBQ-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
C[N@@H+]1CC[C@]2(c3ccccc3)CCN(Cc3ccc(F)cc3)C[C@H]12	ZINC000096058420	563532273	/nfs/dbraw/zinc/53/22/73/563532273.db2.gz	VXWFTHKDKWPKSE-LEWJYISDSA-N	1	0	324.443	3.674	40	0		DHABRO
c1csc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)c1	ZINC000096047768	563532504	/nfs/dbraw/zinc/53/25/04/563532504.db2.gz	AXUBFKKXWAPYIO-MRXNPFEDSA-N	1	0	314.454	3.682	40	0		DHABRO
CO[C@H]1CC[N@H+](Cc2nc(C)cs2)C[C@@H]1Cc1ccccc1	ZINC000096110496	563533476	/nfs/dbraw/zinc/53/34/76/563533476.db2.gz	SFKXYWNJFIHWDZ-IRXDYDNUSA-N	1	0	316.470	3.531	40	0		DHABRO
CC(C)[N@@H+]1C[C@@H]2CCC[C@H](C1)C2CC(=O)Nc1cccc(F)c1	ZINC000096252221	563536529	/nfs/dbraw/zinc/53/65/29/563536529.db2.gz	XJVZZTZMIITLLK-MVVMVCHASA-N	1	0	318.436	3.911	40	0		DHABRO
Clc1ccc2c(-c3cccc([C@H]4CCC[NH2+]C4)n3)cnn2c1	ZINC000585262817	563536915	/nfs/dbraw/zinc/53/69/15/563536915.db2.gz	IOAYJYRITFYHBR-LBPRGKRZSA-N	1	0	312.804	3.517	40	0		DHABRO
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]C3CCCCCC3)[C@H]2O)c1	ZINC000585289654	563542682	/nfs/dbraw/zinc/54/26/82/563542682.db2.gz	UCVJHTBFRPSJBL-XUVXKRRUSA-N	1	0	317.473	3.968	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]C2CCCCC2)[C@H]1O	ZINC000585289262	563542739	/nfs/dbraw/zinc/54/27/39/563542739.db2.gz	OXOCZHPYLGUYMP-QXAKKESOSA-N	1	0	303.446	3.578	40	0		DHABRO
CCCCOc1ccc(C[NH2+]C[C@@H]2CCCO2)cc1OCC	ZINC000119591447	563594630	/nfs/dbraw/zinc/59/46/30/563594630.db2.gz	ICJVBZVIZNJFMA-INIZCTEOSA-N	1	0	307.434	3.533	40	0		DHABRO
Cc1nc(N2CCc3ccccc3C2)cc(NC2CCCC2)[nH+]1	ZINC000243792972	563604487	/nfs/dbraw/zinc/60/44/87/563604487.db2.gz	QLVLCLRGZHFGIC-UHFFFAOYSA-N	1	0	308.429	3.702	40	0		DHABRO
c1ccc(-c2cc(NCc3ccccn3)nc(NC3CC3)n2)cc1	ZINC000244449685	563604737	/nfs/dbraw/zinc/60/47/37/563604737.db2.gz	ZAZGCEFJKVOKEN-UHFFFAOYSA-N	1	0	317.396	3.725	40	0		DHABRO
Cc1cc2nc(-c3cc(Br)c[n+](C)c3)oc2cc1C	ZINC000226774901	563605598	/nfs/dbraw/zinc/60/55/98/563605598.db2.gz	GBSUJYHORWWNOP-UHFFFAOYSA-N	1	0	318.194	3.699	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@H]([NH3+])c2ccccc2F)CC1	ZINC000255189299	563636933	/nfs/dbraw/zinc/63/69/33/563636933.db2.gz	OZSKIEAMKSCRAS-INIZCTEOSA-N	1	0	322.424	3.863	40	0		DHABRO
c1csc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)c1	ZINC000049169364	563701088	/nfs/dbraw/zinc/70/10/88/563701088.db2.gz	MBQSPIVJKOCWOF-AWEZNQCLSA-N	1	0	311.410	3.788	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C=O)ccc1OCCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217791743	563714701	/nfs/dbraw/zinc/71/47/01/563714701.db2.gz	ZZCSTKNPMXZFKC-HZPDHXFCSA-N	1	0	319.445	3.930	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000217797847	563714901	/nfs/dbraw/zinc/71/49/01/563714901.db2.gz	ZDGOODLOJPYYCM-HZPDHXFCSA-N	1	0	319.445	3.645	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(C)cc1C	ZINC000223144605	563731095	/nfs/dbraw/zinc/73/10/95/563731095.db2.gz	WIEDKVDZICMHSX-KRWDZBQOSA-N	1	0	302.462	3.688	40	0		DHABRO
COCC[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C	ZINC000223664236	563735075	/nfs/dbraw/zinc/73/50/75/563735075.db2.gz	CWMAEPDENJGPIZ-UHFFFAOYSA-N	1	0	306.837	3.543	40	0		DHABRO
CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1O[C@@H](C)CC	ZINC000225158198	563749831	/nfs/dbraw/zinc/74/98/31/563749831.db2.gz	XZPVYASBZRPMPA-GOEBONIOSA-N	1	0	307.434	3.531	40	0		DHABRO
COc1ccc(C[NH2+]Cc2ccc(Cc3ccco3)n2C)cc1	ZINC000226021451	563767837	/nfs/dbraw/zinc/76/78/37/563767837.db2.gz	FWOJQBAMHXNYNX-UHFFFAOYSA-N	1	0	310.397	3.507	40	0		DHABRO
Cc1ncc2cncc([C@@H]3CCC[N@H+](Cc4ccccc4F)C3)n12	ZINC000257211337	563790819	/nfs/dbraw/zinc/79/08/19/563790819.db2.gz	BYNANVUAGDRGBO-MRXNPFEDSA-N	1	0	324.403	3.556	40	0		DHABRO
CNc1cccc(CC[C@@H]2CCCC[N@@H+]2Cc2ccccn2)n1	ZINC000257227699	563790917	/nfs/dbraw/zinc/79/09/17/563790917.db2.gz	FQMQOAPBKDLIHM-SFHVURJKSA-N	1	0	310.445	3.506	40	0		DHABRO
Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1	ZINC000257231268	563791482	/nfs/dbraw/zinc/79/14/82/563791482.db2.gz	GFZLSESQACIFAB-INIZCTEOSA-N	1	0	306.413	3.646	40	0		DHABRO
c1ccc(CN2CCCC[C@H]2c2nnc(-c3cccnc3)o2)cc1	ZINC000257249042	563792643	/nfs/dbraw/zinc/79/26/43/563792643.db2.gz	JGKXOKQFDMENLO-KRWDZBQOSA-N	1	0	320.396	3.859	40	0		DHABRO
c1csc(C[C@@H]2CCC[N@H+](Cc3cnc4ccccc4n3)C2)n1	ZINC000257255609	563792862	/nfs/dbraw/zinc/79/28/62/563792862.db2.gz	KIECIBMXEBLRSQ-AWEZNQCLSA-N	1	0	324.453	3.541	40	0		DHABRO
CC1(C)[C@H](C[C@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H]2CC[C@H]1C2	ZINC000001229978	563803504	/nfs/dbraw/zinc/80/35/04/563803504.db2.gz	IUQYLYYXKZJRJM-ILOCAZANSA-N	1	0	307.478	3.676	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)cc1C	ZINC000044080804	563923137	/nfs/dbraw/zinc/92/31/37/563923137.db2.gz	ZOPXXJCTHNPBBT-AWEZNQCLSA-N	1	0	319.518	3.712	40	0		DHABRO
CCCCOc1c(C)cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095422	563930969	/nfs/dbraw/zinc/93/09/69/563930969.db2.gz	CIYJCUJZDHICFX-OAHLLOKOSA-N	1	0	315.417	3.957	40	0		DHABRO
[NH3+]CCSc1cc(C(F)(F)F)nc2c(Cl)cccc12	ZINC000002525206	563938386	/nfs/dbraw/zinc/93/83/86/563938386.db2.gz	IRQZFVIYTYIYIR-UHFFFAOYSA-N	1	0	306.740	3.958	40	0		DHABRO
COc1cccc(CC[NH2+]Cc2cn(C3CCCC3)nc2C)c1	ZINC000256052883	1024641345	/nfs/dbraw/zinc/64/13/45/1024641345.db2.gz	PANYLIDGFALZIY-UHFFFAOYSA-N	1	0	313.445	3.648	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(C)cc1	ZINC000225580013	186279774	/nfs/dbraw/zinc/27/97/74/186279774.db2.gz	FQFICCXELUFNRS-QGZVFWFLSA-N	1	0	319.518	3.936	40	0		DHABRO
c1cn(-c2cccc([C@@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1	ZINC000072355456	191128604	/nfs/dbraw/zinc/12/86/04/191128604.db2.gz	LWRXQJMDJMUFGO-SFHVURJKSA-N	1	0	304.397	3.604	40	0		DHABRO
FC(F)(F)c1cccc(-c2nccnc2[C@@H]2CCC[NH2+]C2)c1	ZINC000072356388	191130304	/nfs/dbraw/zinc/13/03/04/191130304.db2.gz	TZYJIYLALOSZFI-GFCCVEGCSA-N	1	0	307.319	3.629	40	0		DHABRO
C[N@@H+]1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1	ZINC000072359281	191131024	/nfs/dbraw/zinc/13/10/24/191131024.db2.gz	MBBDDGBSUPFRHX-CYBMUJFWSA-N	1	0	321.346	3.972	40	0		DHABRO
Cc1csc(Nc2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000072363469	191132547	/nfs/dbraw/zinc/13/25/47/191132547.db2.gz	HVDFUVYKZMETBM-CYBMUJFWSA-N	1	0	317.462	3.573	40	0		DHABRO
CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000072379129	191141844	/nfs/dbraw/zinc/14/18/44/191141844.db2.gz	CQUAWTAZQNPNTJ-QGZVFWFLSA-N	1	0	310.445	3.909	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1	ZINC000072389943	191148361	/nfs/dbraw/zinc/14/83/61/191148361.db2.gz	JPYKQRSWPVYZQC-KRWDZBQOSA-N	1	0	320.396	3.511	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C1	ZINC000072394986	191148835	/nfs/dbraw/zinc/14/88/35/191148835.db2.gz	LWZTVQRWNSRHCH-CQSZACIVSA-N	1	0	313.445	3.689	40	0		DHABRO
COc1ccc2ccccc2c1[C@H](Cc1ccccc1)[NH2+]CCO	ZINC000001594051	180876954	/nfs/dbraw/zinc/87/69/54/180876954.db2.gz	ZOFVJRDYJOVIKH-IBGZPJMESA-N	1	0	321.420	3.714	40	0		DHABRO
C[C@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)C1CCCC1	ZINC000001683410	180887575	/nfs/dbraw/zinc/88/75/75/180887575.db2.gz	CNFNVXPDSNSPKW-VQIMIIECSA-N	1	0	315.457	3.988	40	0		DHABRO
C[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1	ZINC000073023126	191270767	/nfs/dbraw/zinc/27/07/67/191270767.db2.gz	TZLGSIQUEBXENR-KRWDZBQOSA-N	1	0	322.452	3.816	40	0		DHABRO
C[N@@H+]1CCC[C@]12CCN(c1cncc(Oc3ccccc3)c1)C2	ZINC000003937368	181057968	/nfs/dbraw/zinc/05/79/68/181057968.db2.gz	YVYIISOHXBZKGQ-LJQANCHMSA-N	1	0	309.413	3.548	40	0		DHABRO
Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c1	ZINC000004305134	181095279	/nfs/dbraw/zinc/09/52/79/181095279.db2.gz	OVTQEYBWPTYCTQ-XYJFISCASA-N	1	0	305.462	3.614	40	0		DHABRO
Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C2CC2)c1	ZINC000004882502	181168125	/nfs/dbraw/zinc/16/81/25/181168125.db2.gz	KCVKNRQAJINQFA-ZNXRZULTSA-N	1	0	313.445	3.664	40	0		DHABRO
Fc1cccc(Cl)c1C[NH2+]CCCSc1ncccn1	ZINC000004984097	181184296	/nfs/dbraw/zinc/18/42/96/181184296.db2.gz	OTYAOIXDUJACLZ-UHFFFAOYSA-N	1	0	311.813	3.541	40	0		DHABRO
C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1	ZINC000081223028	192237729	/nfs/dbraw/zinc/23/77/29/192237729.db2.gz	JSBCBPDWFRPVBV-KRWDZBQOSA-N	1	0	324.424	3.546	40	0		DHABRO
C[C@@H]1CCC[N@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1	ZINC000005722020	181276852	/nfs/dbraw/zinc/27/68/52/181276852.db2.gz	OHQWOUQOOHHSLW-ZLZJIPBDSA-N	1	0	311.510	3.701	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006356056	181333764	/nfs/dbraw/zinc/33/37/64/181333764.db2.gz	JMGJDVRKPVEILW-XWTMOSNGSA-N	1	0	319.489	3.918	40	0		DHABRO
CC[C@H](OC[C@@H](O)C[N@H+](C)C1CCCCC1)c1ccccc1	ZINC000006355960	181333881	/nfs/dbraw/zinc/33/38/81/181333881.db2.gz	ZYEJBRMTHITMNI-OALUTQOASA-N	1	0	305.462	3.780	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006355906	181333902	/nfs/dbraw/zinc/33/39/02/181333902.db2.gz	JMGJDVRKPVEILW-XMTFNYHQSA-N	1	0	319.489	3.918	40	0		DHABRO
Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2CCc1ccc(C)nc1	ZINC000091244411	193025154	/nfs/dbraw/zinc/02/51/54/193025154.db2.gz	GOCKVWBQSRYQFB-PZJWPPBQSA-N	1	0	321.468	3.549	40	0		DHABRO
Cc1ccc(C(=O)NCCC[NH+]2CCCCCC2)c(Cl)c1	ZINC000225001708	201682193	/nfs/dbraw/zinc/68/21/93/201682193.db2.gz	YMLRETXATWQGDN-UHFFFAOYSA-N	1	0	308.853	3.644	40	0		DHABRO
Cc1cncc([C@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)n1	ZINC000257299948	203026151	/nfs/dbraw/zinc/02/61/51/203026151.db2.gz	RSHFJBYLFOPZSP-GOSISDBHSA-N	1	0	319.412	3.512	40	0		DHABRO
Cc1nc(Nc2cc(C)nc([C@H]3CCC[NH2+]C3)c2)sc1C	ZINC000257314827	203038590	/nfs/dbraw/zinc/03/85/90/203038590.db2.gz	UYQHGSQPEJOQFO-ZDUSSCGKSA-N	1	0	302.447	3.674	40	0		DHABRO
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(Cl)c(F)c3)C2)n1	ZINC000257319988	203044654	/nfs/dbraw/zinc/04/46/54/203044654.db2.gz	VUWUAFHPXNHSBB-CYBMUJFWSA-N	1	0	307.800	3.511	40	0		DHABRO
Fc1ccc(C[N@@H+]2CCC[C@@H]2c2cccc(-n3ccnc3)n2)cc1	ZINC000257341366	203063010	/nfs/dbraw/zinc/06/30/10/203063010.db2.gz	ZKANVPBIYWKRRU-GOSISDBHSA-N	1	0	322.387	3.744	40	0		DHABRO
COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OC	ZINC000008469879	181557764	/nfs/dbraw/zinc/55/77/64/181557764.db2.gz	UCSJGTJVRAGVQB-UHFFFAOYSA-N	1	0	309.768	3.786	40	0		DHABRO
Fc1ccccc1CC[NH2+]Cc1cccc(Br)c1	ZINC000016449547	182045349	/nfs/dbraw/zinc/04/53/49/182045349.db2.gz	DVVCRKNGRKWESN-UHFFFAOYSA-N	1	0	308.194	3.921	40	0		DHABRO
COc1ccc2nc(CC(=[NH2+])c3ccc(N(C)C)cc3)ccc2c1	ZINC000016968478	182067091	/nfs/dbraw/zinc/06/70/91/182067091.db2.gz	QSTRBAPWUYQORA-UHFFFAOYSA-N	1	0	319.408	3.920	40	0		DHABRO
S=C(NCCC[NH+]1CCCCC1)Nc1ccccc1Cl	ZINC000018162520	182095792	/nfs/dbraw/zinc/09/57/92/182095792.db2.gz	WXONVOAGBRTEDX-UHFFFAOYSA-N	1	0	311.882	3.502	40	0		DHABRO
CC(C)(C)c1ccc(OCCCCCCN2CC[NH2+]CC2)cc1	ZINC000019365820	182118952	/nfs/dbraw/zinc/11/89/52/182118952.db2.gz	LGEINYZXOUVJFZ-UHFFFAOYSA-N	1	0	318.505	3.829	40	0		DHABRO
c1ccc(C[NH+]2CCC(c3nnc(-c4ccncc4)o3)CC2)cc1	ZINC000019371885	182120327	/nfs/dbraw/zinc/12/03/27/182120327.db2.gz	CODPRKHDWDWSGH-UHFFFAOYSA-N	1	0	320.396	3.511	40	0		DHABRO
COc1ccccc1C[N@@H+]1CCC[C@@H](c2cc3cccnc3[nH]2)C1	ZINC000019570329	182130878	/nfs/dbraw/zinc/13/08/78/182130878.db2.gz	OIRNSLPNOXITLK-MRXNPFEDSA-N	1	0	321.424	3.951	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1ccc(Cl)cc1	ZINC000019582549	182132445	/nfs/dbraw/zinc/13/24/45/182132445.db2.gz	UCBFEBQLRVJNJZ-UHFFFAOYSA-N	1	0	308.878	3.965	40	0		DHABRO
COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1c(C)nc2ccccn21	ZINC000019654482	182134711	/nfs/dbraw/zinc/13/47/11/182134711.db2.gz	XIVDCLZNBKRODR-KRWDZBQOSA-N	1	0	321.424	3.988	40	0		DHABRO
O=C(C[NH2+]Cc1ccncc1)N(c1ccccc1)c1ccccc1	ZINC000021265828	182270030	/nfs/dbraw/zinc/27/00/30/182270030.db2.gz	PDRYCGKZLSAYSM-UHFFFAOYSA-N	1	0	317.392	3.536	40	0		DHABRO
CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1OCC	ZINC000022074660	182307629	/nfs/dbraw/zinc/30/76/29/182307629.db2.gz	ICEBHVRSFFUKAA-UHFFFAOYSA-N	1	0	317.404	3.955	40	0		DHABRO
CCC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000022512975	182324554	/nfs/dbraw/zinc/32/45/54/182324554.db2.gz	RLOTWPNJUFZWDQ-HZPDHXFCSA-N	1	0	302.462	3.837	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCc3ccccc3)cc2)C1	ZINC000022523701	182325039	/nfs/dbraw/zinc/32/50/39/182325039.db2.gz	JVVXVPANSMUZAE-KRWDZBQOSA-N	1	0	322.452	3.849	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH2+]Cc2ccccc2Cl)CC1	ZINC000038876234	183012463	/nfs/dbraw/zinc/01/24/63/183012463.db2.gz	NNSZHIZQEYCMRR-UHFFFAOYSA-N	1	0	324.852	3.829	40	0		DHABRO
On1ncc(C2CC[NH2+]CC2)c1-c1cccc(-c2ccccc2)c1	ZINC000049071538	183710283	/nfs/dbraw/zinc/71/02/83/183710283.db2.gz	UHEYIOPHTBWBQN-UHFFFAOYSA-N	1	0	319.408	3.921	40	0	in-vitro	DHABRO
Cc1cc(SC(C)(C)C)cnc1N1CC[NH+](C(C)C)CC1	ZINC000072222677	257123763	/nfs/dbraw/zinc/12/37/63/257123763.db2.gz	WEBNYFJIJUMZLK-UHFFFAOYSA-N	1	0	307.507	3.811	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C	ZINC000072219649	257124246	/nfs/dbraw/zinc/12/42/46/257124246.db2.gz	ZKPGKWBBLOQCQO-GOSISDBHSA-N	1	0	317.477	3.554	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214429	257125895	/nfs/dbraw/zinc/12/58/95/257125895.db2.gz	XLPHOLJCKCIJPZ-CQSZACIVSA-N	1	0	305.422	3.610	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214437	257125901	/nfs/dbraw/zinc/12/59/01/257125901.db2.gz	ZWDVVPJYIFFFTL-OAHLLOKOSA-N	1	0	319.449	3.998	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214430	257125989	/nfs/dbraw/zinc/12/59/89/257125989.db2.gz	XLPHOLJCKCIJPZ-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]C2)n1	ZINC000072209135	257127799	/nfs/dbraw/zinc/12/77/99/257127799.db2.gz	SKBFVTXCVJYQJB-LLVKDONJSA-N	1	0	321.808	3.646	40	0		DHABRO
C[NH+]1CCC2(CC1)O[C@@H](c1ccccc1)[C@H](c1ccccc1)O2	ZINC000001577616	257231313	/nfs/dbraw/zinc/23/13/13/257231313.db2.gz	VDZYAJURYXVGDG-OALUTQOASA-N	1	0	309.409	3.938	40	0		DHABRO
C[N@@H+]1CC[C@@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1	ZINC000248129380	341373663	/nfs/dbraw/zinc/37/36/63/341373663.db2.gz	MSHNPNGYEYSRMB-IEBWSBKVSA-N	1	0	314.860	3.918	40	0		DHABRO
CC(C)(C)CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000225905031	563766886	/nfs/dbraw/zinc/76/68/86/563766886.db2.gz	IQWZSYOPKQLFJY-HNNXBMFYSA-N	1	0	322.880	3.714	40	0		DHABRO
CCCc1ccc(OC[C@H](O)C[N@H+](C)C2CCCCC2)cc1	ZINC000001475479	563284083	/nfs/dbraw/zinc/28/40/83/563284083.db2.gz	YEFQDLJDRNSLNS-GOSISDBHSA-N	1	0	305.462	3.643	40	0		DHABRO
C[N@H+](C[C@H](O)COc1ccccc1C(C)(C)C)C1CCCCC1	ZINC000001475524	563284336	/nfs/dbraw/zinc/28/43/36/563284336.db2.gz	RIXILAJGJJCOJW-KRWDZBQOSA-N	1	0	319.489	3.988	40	0		DHABRO
CCC(CC)[NH2+]CCCNc1cc(OC)cc2cccnc21	ZINC000001687524	563291021	/nfs/dbraw/zinc/29/10/21/563291021.db2.gz	QMRJGRKVDMHYJG-UHFFFAOYSA-N	1	0	301.434	3.824	40	0		DHABRO
NC(=[NH2+])c1cccc(OCCOc2cccc3ccccc32)c1	ZINC000001749246	563294606	/nfs/dbraw/zinc/29/46/06/563294606.db2.gz	BKGDNNARHYMUBG-UHFFFAOYSA-N	1	0	306.365	3.582	40	0		DHABRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COC12CC3CC(CC(C3)C1)C2	ZINC000010434627	563295720	/nfs/dbraw/zinc/29/57/20/563295720.db2.gz	JKXCTIFAGZFWSE-FGMWCOEWSA-N	1	0	321.505	3.596	40	0		DHABRO
CC[C@@H](CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000008326371	563346194	/nfs/dbraw/zinc/34/61/94/563346194.db2.gz	VDRFTXCDUNHQCG-KRWDZBQOSA-N	1	0	319.832	3.780	40	0		DHABRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)C[NH2+]C1CCCCC1)C2	ZINC000009970717	563355295	/nfs/dbraw/zinc/35/52/95/563355295.db2.gz	SFEWGPJTCPCSHS-KNIMUDFMSA-N	1	0	309.494	3.501	40	0		DHABRO
Cc1ccc(C[NH+]2CCC(c3[nH]nc4ncccc43)CC2)s1	ZINC000012143426	563362461	/nfs/dbraw/zinc/36/24/61/563362461.db2.gz	JNVHUDCUQGCBMJ-UHFFFAOYSA-N	1	0	312.442	3.707	40	0		DHABRO
O=C1CCCN1c1ccc(C[NH2+]C2(c3cccc(F)c3)CC2)cc1	ZINC000012238757	563365613	/nfs/dbraw/zinc/36/56/13/563365613.db2.gz	FIFDWKHQVCEXPH-UHFFFAOYSA-N	1	0	324.399	3.731	40	0		DHABRO
Cc1ccc(C[C@H]2CN(C)CC[C@H]2[NH2+]Cc2ccccc2)cc1	ZINC000034797524	563452020	/nfs/dbraw/zinc/45/20/20/563452020.db2.gz	XEDADXIAJZKBRM-LEWJYISDSA-N	1	0	308.469	3.648	40	0	biogenic	DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccccc2C(C)(C)C)C1	ZINC000037530377	563458305	/nfs/dbraw/zinc/45/83/05/563458305.db2.gz	VMQLBGCPIVMCQJ-ZACQAIPSSA-N	1	0	319.489	3.702	40	0		DHABRO
CC(C)c1ccc(OC[C@H](O)C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1	ZINC000012169960	563479546	/nfs/dbraw/zinc/47/95/46/563479546.db2.gz	SHFCKFJTPRMDBZ-SOLBZPMBSA-N	1	0	305.462	3.528	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[NH+]1[C@H](C)CCC[C@H]1C	ZINC000245253802	563480226	/nfs/dbraw/zinc/48/02/26/563480226.db2.gz	FXMYFPOBYHRDNB-BRWVUGGUSA-N	1	0	305.462	3.813	40	0		DHABRO
CC[C@@H]([C@@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC	ZINC000096524937	563486306	/nfs/dbraw/zinc/48/63/06/563486306.db2.gz	JNBSFQJXABHEKT-ROUUACIJSA-N	1	0	317.454	3.567	40	0		DHABRO
CCC(CC)C[N@@H+]1CCC[C@]2(CN(CC3CCCCC3)C2=O)C1	ZINC000585099604	563516800	/nfs/dbraw/zinc/51/68/00/563516800.db2.gz	SDPHFZWCUMULQT-HXUWFJFHSA-N	1	0	320.521	3.927	40	0		DHABRO
Cc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3CC(C)C)C2)c(C)c1	ZINC000585102258	563517080	/nfs/dbraw/zinc/51/70/80/563517080.db2.gz	VSLLAZNIUYGVKZ-HXUWFJFHSA-N	1	0	314.473	3.640	40	0		DHABRO
CCOC[C@@H]1COCCC12CC[NH+](Cc1sccc1C)CC2	ZINC000096106420	563533547	/nfs/dbraw/zinc/53/35/47/563533547.db2.gz	KHGPZWLMNBDNPJ-MRXNPFEDSA-N	1	0	323.502	3.712	40	0		DHABRO
c1ccc(C[N@H+]2CCC[C@]3(CCCN3Cc3cccnc3)C2)cc1	ZINC000096214656	563535668	/nfs/dbraw/zinc/53/56/68/563535668.db2.gz	PAGPTAITAJIMDN-NRFANRHFSA-N	1	0	321.468	3.712	40	0		DHABRO
Cc1nc(CN2CCC3(CCC[N@H+](CC4CC4)C3)CC2)cs1	ZINC000096217524	563535759	/nfs/dbraw/zinc/53/57/59/563535759.db2.gz	ZYKCCPGMBLTLCL-UHFFFAOYSA-N	1	0	319.518	3.540	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)[C@H]1O	ZINC000585289354	563542569	/nfs/dbraw/zinc/54/25/69/563542569.db2.gz	QEJRMQBPPDIIBG-DFQSSKMNSA-N	1	0	317.473	3.826	40	0		DHABRO
Cc1ccc(C[NH2+]Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1	ZINC000013998827	563549524	/nfs/dbraw/zinc/54/95/24/563549524.db2.gz	WJFPLMXMUTUPBN-UHFFFAOYSA-N	1	0	306.409	3.743	40	0		DHABRO
C[C@@H](c1ccccc1)[N@@H+]1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21	ZINC000116597090	563565515	/nfs/dbraw/zinc/56/55/15/563565515.db2.gz	ZRRQJEOGSURZRN-USXIJHARSA-N	1	0	316.445	3.689	40	0		DHABRO
CCOCC[NH2+]Cc1ccc(Br)c2ccccc12	ZINC000085391741	563568988	/nfs/dbraw/zinc/56/89/88/563568988.db2.gz	GXTIYDQTLOZUEW-UHFFFAOYSA-N	1	0	308.219	3.728	40	0		DHABRO
Cc1ccc(C)c(NC(=O)Cn2cnc3cc(C)c(C)cc32)c1	ZINC000000420266	563608764	/nfs/dbraw/zinc/60/87/64/563608764.db2.gz	ZCRJNXUXGDIWDI-UHFFFAOYSA-N	1	0	307.397	3.909	40	0		DHABRO
COc1cc(C[NH2+]Cc2ccccc2Cl)cc(OC)c1OC	ZINC000008469961	563643644	/nfs/dbraw/zinc/64/36/44/563643644.db2.gz	VXVPJECDUXSCSN-UHFFFAOYSA-N	1	0	321.804	3.656	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CO[C@@H]2C[C@H](C)CC(C)(C)C2)C1	ZINC000000350710	563714591	/nfs/dbraw/zinc/71/45/91/563714591.db2.gz	SLJQCXKWMCDIOX-IECFSIQFSA-N	1	0	311.510	3.557	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217791584	563714652	/nfs/dbraw/zinc/71/46/52/563714652.db2.gz	ZZCSTKNPMXZFKC-HOTGVXAUSA-N	1	0	319.445	3.930	40	0		DHABRO
CCc1ccc(CN2CC[NH+](C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1	ZINC000222342220	563725242	/nfs/dbraw/zinc/72/52/42/563725242.db2.gz	KMYQSMSZAJOVQP-PWRODBHTSA-N	1	0	310.485	3.579	40	0		DHABRO
CCOC(=O)C1=C(c2ccccc2)C[N@H+](Cc2ccccc2)C1	ZINC000026895063	563736509	/nfs/dbraw/zinc/73/65/09/563736509.db2.gz	DMPBQXVVNUARKT-UHFFFAOYSA-N	1	0	307.393	3.519	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1Cl	ZINC000225439490	563755128	/nfs/dbraw/zinc/75/51/28/563755128.db2.gz	ZKVKYVMTFGTESX-MRXNPFEDSA-N	1	0	322.880	3.653	40	0		DHABRO
Cc1cnc([C@@H]2CN(Cc3cccc4ccccc43)CCO2)cn1	ZINC000257206946	563789900	/nfs/dbraw/zinc/78/99/00/563789900.db2.gz	BFPQLUQAMVEVPU-FQEVSTJZSA-N	1	0	319.408	3.512	40	0		DHABRO
CCn1nccc1-c1cc(C[C@@H]2CCC[N@@H+](C(C)C)C2)ccn1	ZINC000257235494	563791383	/nfs/dbraw/zinc/79/13/83/563791383.db2.gz	GYCOBGCWFJBYEY-KRWDZBQOSA-N	1	0	312.461	3.628	40	0		DHABRO
Cc1cn(C)c([C@@H]2CCCN2C(=O)c2csc(C(C)C)c2)n1	ZINC000257254963	563792180	/nfs/dbraw/zinc/79/21/80/563792180.db2.gz	KFMYYLMQUBTONJ-AWEZNQCLSA-N	1	0	317.458	3.891	40	0		DHABRO
c1csc(C[N@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)n1	ZINC000257271686	563792576	/nfs/dbraw/zinc/79/25/76/563792576.db2.gz	MZJNGMMETVRFLX-FVQHAEBGSA-N	1	0	314.454	3.570	40	0		DHABRO
FC(F)(F)c1ccc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cc1	ZINC000257253358	563792841	/nfs/dbraw/zinc/79/28/41/563792841.db2.gz	JYOAZPMFYGREIF-OAHLLOKOSA-N	1	0	307.319	3.833	40	0		DHABRO
CC(C)Nc1cc(N2CCc3ccccc3C2)nc(C(C)C)[nH+]1	ZINC000329031751	563833586	/nfs/dbraw/zinc/83/35/86/563833586.db2.gz	QKYKEJCNOWKQQF-UHFFFAOYSA-N	1	0	310.445	3.983	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH2+]C1CCCCC1)C2	ZINC000035075058	563857887	/nfs/dbraw/zinc/85/78/87/563857887.db2.gz	BLSUEDKUVBIVGS-QEEHTWDDSA-N	1	0	323.521	3.891	40	0		DHABRO
FC(F)(F)c1ccc2[nH]c([C@H]3CC[N@H+](CC4CC4)C3)nc2c1	ZINC000035446725	563867120	/nfs/dbraw/zinc/86/71/20/563867120.db2.gz	FJWWPFHGZVHHJL-NSHDSACASA-N	1	0	309.335	3.781	40	0	biogenic,in-vitro	DHABRO
c1ccc(CCC[N@@H+]2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1	ZINC000035446643	563867159	/nfs/dbraw/zinc/86/71/59/563867159.db2.gz	FPGUQPHZLFZNIH-KRWDZBQOSA-N	1	0	305.425	3.985	40	0	biogenic,in-vitro	DHABRO
CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000052909020	563868752	/nfs/dbraw/zinc/86/87/52/563868752.db2.gz	INPOLVZYFMSOSM-UHFFFAOYSA-N	1	0	324.852	3.829	40	0		DHABRO
Cc1c(F)cccc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000067801025	563868786	/nfs/dbraw/zinc/86/87/86/563868786.db2.gz	VTOVVQNOILQDIF-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c(C)c1	ZINC000044080832	563923123	/nfs/dbraw/zinc/92/31/23/563923123.db2.gz	MCNWUHGQHKHTNS-HNNXBMFYSA-N	1	0	319.518	3.712	40	0		DHABRO
CCC[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000036124358	563923173	/nfs/dbraw/zinc/92/31/73/563923173.db2.gz	RLOTWPNJUFZWDQ-JKSUJKDBSA-N	1	0	302.462	3.837	40	0		DHABRO
Cc1cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc(C)c1OC(C)C	ZINC000095095402	563930883	/nfs/dbraw/zinc/93/08/83/563930883.db2.gz	OUQOQKHALJADRV-OAHLLOKOSA-N	1	0	315.417	3.955	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C	ZINC000307198995	568420532	/nfs/dbraw/zinc/42/05/32/568420532.db2.gz	YZFBIESGISWLFU-INIZCTEOSA-N	1	0	318.461	3.812	40	0		DHABRO
Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCC[NH2+]2)n1	ZINC000072376718	191139820	/nfs/dbraw/zinc/13/98/20/191139820.db2.gz	DKBPPNSVQHKJEC-CYBMUJFWSA-N	1	0	322.334	3.559	40	0		DHABRO
CCN(Cc1ccccc1)C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1	ZINC000072369300	191139981	/nfs/dbraw/zinc/13/99/81/191139981.db2.gz	MJRRCOUMNBXSSV-LJQANCHMSA-N	1	0	323.440	3.511	40	0		DHABRO
CCc1nccn1-c1cccc(C2CC[NH+](C3CCCC3)CC2)n1	ZINC000072378702	191140623	/nfs/dbraw/zinc/14/06/23/191140623.db2.gz	LLHNWDHBHIZSID-UHFFFAOYSA-N	1	0	324.472	3.952	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@@H](c3nnc(-c4cccnc4)o3)C2)cc1	ZINC000072389970	191148219	/nfs/dbraw/zinc/14/82/19/191148219.db2.gz	BAHMSNANCGOBEL-QGZVFWFLSA-N	1	0	320.396	3.511	40	0		DHABRO
C[C@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1	ZINC000073023128	191271130	/nfs/dbraw/zinc/27/11/30/191271130.db2.gz	TZLGSIQUEBXENR-QGZVFWFLSA-N	1	0	322.452	3.816	40	0		DHABRO
C[C@@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1	ZINC000004404507	181107641	/nfs/dbraw/zinc/10/76/41/181107641.db2.gz	YLQSFTKJKOZBBJ-APWZRJJASA-N	1	0	315.457	3.988	40	0		DHABRO
C[N@@H+]1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000005029547	181193391	/nfs/dbraw/zinc/19/33/91/181193391.db2.gz	BSKUDKXKAISNDJ-MVBLQPKNSA-N	1	0	301.474	3.914	40	0		DHABRO
CC[C@@H]1CC[C@@H]2[C@H](CC[C@@]3([NH+](C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1	ZINC000005339247	181231565	/nfs/dbraw/zinc/23/15/65/181231565.db2.gz	JGYKCSORDIHDBG-BYXVQRNISA-N	1	0	323.521	3.963	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(OCc3ccccc3)cc2)C1	ZINC000081223031	192237378	/nfs/dbraw/zinc/23/73/78/192237378.db2.gz	JSBCBPDWFRPVBV-QGZVFWFLSA-N	1	0	324.424	3.546	40	0		DHABRO
[NH3+]C[C@@H](O)c1ccc(Nc2ccnc3cc(Cl)ccc32)cc1	ZINC000005933427	181297849	/nfs/dbraw/zinc/29/78/49/181297849.db2.gz	BHQZWHNQMWUCQP-QGZVFWFLSA-N	1	0	313.788	3.624	40	0		DHABRO
CC[C@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000006355971	181333715	/nfs/dbraw/zinc/33/37/15/181333715.db2.gz	QPXDBTYBCYZQBM-VDGAXYAQSA-N	1	0	313.441	3.866	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000006356061	181333773	/nfs/dbraw/zinc/33/37/73/181333773.db2.gz	XPSYBIYXGAGNCI-ULQDDVLXSA-N	1	0	305.462	3.814	40	0		DHABRO
CC[C@@H](OC[C@H](O)C[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000006356109	181333872	/nfs/dbraw/zinc/33/38/72/181333872.db2.gz	QPXDBTYBCYZQBM-PWIZWCRZSA-N	1	0	313.441	3.866	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000006455162	181342055	/nfs/dbraw/zinc/34/20/55/181342055.db2.gz	FXMYFPOBYHRDNB-BBWFWOEESA-N	1	0	305.462	3.813	40	0		DHABRO
c1csc(C[C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n1	ZINC000257301108	203025286	/nfs/dbraw/zinc/02/52/86/203025286.db2.gz	RXAGYVQUHXDIOI-OAHLLOKOSA-N	1	0	309.438	3.756	40	0		DHABRO
Fc1ccccc1Cc1cnc([C@H]2CCC[N@H+](CC3CC3)C2)o1	ZINC000257313033	203037146	/nfs/dbraw/zinc/03/71/46/203037146.db2.gz	UQSWIWWLKYQYNV-INIZCTEOSA-N	1	0	314.404	3.994	40	0		DHABRO
Fc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)cc1	ZINC000257341367	203061783	/nfs/dbraw/zinc/06/17/83/203061783.db2.gz	ZKANVPBIYWKRRU-SFHVURJKSA-N	1	0	322.387	3.744	40	0		DHABRO
Cc1cc(-c2noc([C@@H]3CCC[NH2+]C3)n2)cc(C)c1OC(C)C	ZINC000095095383	193422950	/nfs/dbraw/zinc/42/29/50/193422950.db2.gz	WRNRVRFRJWQOEZ-CQSZACIVSA-N	1	0	315.417	3.608	40	0		DHABRO
Fc1ccccc1Cn1c([C@@H]2CCC[NH2+]C2)cc2cccnc21	ZINC000019349744	182118053	/nfs/dbraw/zinc/11/80/53/182118053.db2.gz	SBLXMHSRLFUKBD-OAHLLOKOSA-N	1	0	309.388	3.691	40	0		DHABRO
CCc1ccc(CN2CC[NH+](C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1	ZINC000019359439	182118433	/nfs/dbraw/zinc/11/84/33/182118433.db2.gz	KMYQSMSZAJOVQP-QHAWAJNXSA-N	1	0	310.485	3.579	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccncc2)c1	ZINC000019565995	182130078	/nfs/dbraw/zinc/13/00/78/182130078.db2.gz	BBTRJBRIOVGVLB-FUHIMQAGSA-N	1	0	324.424	3.522	40	0		DHABRO
Cc1nn(C)cc1C[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)C1	ZINC000019583826	182131830	/nfs/dbraw/zinc/13/18/30/182131830.db2.gz	DJSIWXHDFNKWOY-SFHVURJKSA-N	1	0	320.440	3.656	40	0		DHABRO
CCOc1c(C[NH2+]CCc2ccc(F)cc2)cccc1OC	ZINC000022074626	182307790	/nfs/dbraw/zinc/30/77/90/182307790.db2.gz	CSGIPQXCUISOTG-UHFFFAOYSA-N	1	0	303.377	3.565	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1ccncc1	ZINC000022913861	182340214	/nfs/dbraw/zinc/34/02/14/182340214.db2.gz	WBRWSSWTRMNKBW-KRWDZBQOSA-N	1	0	315.486	3.630	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1ccncc1	ZINC000022913856	182340383	/nfs/dbraw/zinc/34/03/83/182340383.db2.gz	WBRWSSWTRMNKBW-QGZVFWFLSA-N	1	0	315.486	3.630	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCC3)cc2)C1	ZINC000038832520	183011430	/nfs/dbraw/zinc/01/14/30/183011430.db2.gz	DUNYDOJBLZJIJJ-HNNXBMFYSA-N	1	0	300.446	3.591	40	0		DHABRO
Cc1ccc2c(c1)C(=O)CC1(CC[NH+](Cc3ccccc3)CC1)O2	ZINC000039226989	183015596	/nfs/dbraw/zinc/01/55/96/183015596.db2.gz	JPRXXCAURFMXJG-UHFFFAOYSA-N	1	0	321.420	3.995	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@H]1CCCN1C(=O)OC(C)(C)C	ZINC000072218738	257124424	/nfs/dbraw/zinc/12/44/24/257124424.db2.gz	REUUIBBYZJSEQX-CQSZACIVSA-N	1	0	305.422	3.528	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCC[N@@H+]2C)cn1	ZINC000072214633	257125937	/nfs/dbraw/zinc/12/59/37/257125937.db2.gz	VWRTVOACLNMJMR-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[NH2+]2)cn1	ZINC000072214661	257126118	/nfs/dbraw/zinc/12/61/18/257126118.db2.gz	FUONWCFLGWFPBC-CQSZACIVSA-N	1	0	305.422	3.658	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCC[NH2+]1)C1CCC1	ZINC000072215484	257126664	/nfs/dbraw/zinc/12/66/64/257126664.db2.gz	QGODZYHMWNCJMK-HNNXBMFYSA-N	1	0	317.433	3.800	40	0		DHABRO
CC[N@@H+]1CCCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214514	257126677	/nfs/dbraw/zinc/12/66/77/257126677.db2.gz	ZDVKJQRKFCQYSR-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
C=C1[NH+]=C(SCCC)N[C@@H](c2ccccc2)C1C(=O)OCC	ZINC000408989142	257224741	/nfs/dbraw/zinc/22/47/41/257224741.db2.gz	KEAZINKXFYFZKK-HNNXBMFYSA-N	1	0	318.442	3.667	40	0		DHABRO
C[NH+]1CCC2(CC1)O[C@H](c1ccccc1)[C@@H](c1ccccc1)O2	ZINC000001577617	257231378	/nfs/dbraw/zinc/23/13/78/257231378.db2.gz	VDZYAJURYXVGDG-RTBURBONSA-N	1	0	309.409	3.938	40	0		DHABRO
Cc1ncc(-c2nccnc2CC2CC[NH+](C(C)C)CC2)s1	ZINC000257243299	333806255	/nfs/dbraw/zinc/80/62/55/333806255.db2.gz	IGHIFUBFSOQEFH-UHFFFAOYSA-N	1	0	316.474	3.571	40	0		DHABRO
COCCC[NH2+]Cc1cc(C)n(Cc2ccc(C)cc2)c1C	ZINC000223663670	563735051	/nfs/dbraw/zinc/73/50/51/563735051.db2.gz	GTDCSJAEVOJONW-UHFFFAOYSA-N	1	0	300.446	3.588	40	0		DHABRO
C[N@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000001475515	563284048	/nfs/dbraw/zinc/28/40/48/563284048.db2.gz	DLYJEEDHDSBGEA-GOSISDBHSA-N	1	0	319.489	3.988	40	0		DHABRO
CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)c1ccccc1	ZINC000001627614	563288598	/nfs/dbraw/zinc/28/85/98/563288598.db2.gz	SCNYCIGQKGVJSQ-UHFFFAOYSA-N	1	0	309.414	3.750	40	0		DHABRO
CCN(CC)[C@H](CC(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001686972	563291232	/nfs/dbraw/zinc/29/12/32/563291232.db2.gz	WYAXGUFTMAEDMR-GOSISDBHSA-N	1	0	309.409	3.853	40	0		DHABRO
CC[NH2+][C@@H](CC)CCCNc1cc(OC)cc2cccnc21	ZINC000002042686	563298246	/nfs/dbraw/zinc/29/82/46/563298246.db2.gz	AUKDLGJCMQVKGJ-HNNXBMFYSA-N	1	0	301.434	3.824	40	0		DHABRO
CCCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NC1CCCCC1)C2	ZINC000035290375	563330893	/nfs/dbraw/zinc/33/08/93/563330893.db2.gz	IUTAYGHMDXGUGL-AYHJJNSGSA-N	1	0	321.509	3.804	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1)C2	ZINC000035290336	563331111	/nfs/dbraw/zinc/33/11/11/563331111.db2.gz	LSVPLDATEPZGPS-ALOPSCKCSA-N	1	0	301.434	3.604	40	0		DHABRO
CC[C@H](CO)[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000008337143	563346109	/nfs/dbraw/zinc/34/61/09/563346109.db2.gz	CSCDYMXYTYWNHI-MRXNPFEDSA-N	1	0	319.832	3.780	40	0		DHABRO
C[NH2+]CCCNCc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000008377133	563346443	/nfs/dbraw/zinc/34/64/43/563346443.db2.gz	VKDHBXCCSKNNAP-UHFFFAOYSA-N	1	0	313.228	3.953	40	0		DHABRO
C[NH2+]CCCNCc1ccc(-c2cc(Cl)cc(Cl)c2)o1	ZINC000008377130	563346726	/nfs/dbraw/zinc/34/67/26/563346726.db2.gz	YBIRIMADSJWJCO-UHFFFAOYSA-N	1	0	313.228	3.953	40	0		DHABRO
COc1cc(C)c(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(C)ncc23)cc1C	ZINC000012186492	563363983	/nfs/dbraw/zinc/36/39/83/563363983.db2.gz	ODFYFVAOVLTWEU-QFBILLFUSA-N	1	0	323.440	3.672	40	0		DHABRO
Cc1cc2cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)ccc2o1	ZINC000012199534	563364144	/nfs/dbraw/zinc/36/41/44/563364144.db2.gz	PXINLEZIVHZVAH-OAHLLOKOSA-N	1	0	314.429	3.591	40	0		DHABRO
Cc1ccc(C2([NH2+]Cc3ccnn3[C@@H]3CCCCO3)CC2)cc1	ZINC000012238731	563365250	/nfs/dbraw/zinc/36/52/50/563365250.db2.gz	VKYZIBSAOHSTBU-SFHVURJKSA-N	1	0	311.429	3.670	40	0		DHABRO
CCC[N@@H+]1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1	ZINC000019738899	563415956	/nfs/dbraw/zinc/41/59/56/563415956.db2.gz	VZTIUOZUOCIJIZ-CYBMUJFWSA-N	1	0	319.836	3.841	40	0		DHABRO
O=C(/C=C/c1ccccc1)NCc1cccc(C[NH+]2CCCC2)c1	ZINC000032461957	563442746	/nfs/dbraw/zinc/44/27/46/563442746.db2.gz	SPYDAAFTGVGMJV-VAWYXSNFSA-N	1	0	320.436	3.612	40	0		DHABRO
CC(C)c1ccc(OC[C@@H](O)C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1	ZINC000037530306	563457854	/nfs/dbraw/zinc/45/78/54/563457854.db2.gz	SHFCKFJTPRMDBZ-NUJGCVRESA-N	1	0	305.462	3.528	40	0		DHABRO
C[C@H]1C[C@H](OC[C@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000037530289	563458274	/nfs/dbraw/zinc/45/82/74/563458274.db2.gz	SVDPJYRFEFQLLO-JQHSSLGASA-N	1	0	311.510	3.843	40	0		DHABRO
CC(C)[NH2+]C/C=C/Oc1ccc(COCCOC(C)C)cc1	ZINC000044699410	563462259	/nfs/dbraw/zinc/46/22/59/563462259.db2.gz	JZRKUNUKKCUCNI-VZUCSPMQSA-N	1	0	307.434	3.519	40	0	in-vitro	DHABRO
CCCc1ncc(C[NH2+]C2(c3ccc(Cl)cc3)CC2)cn1	ZINC000057823142	563478000	/nfs/dbraw/zinc/47/80/00/563478000.db2.gz	UISUPFZYZNZGNK-UHFFFAOYSA-N	1	0	301.821	3.861	40	0		DHABRO
CCCN1CCc2c3cc(OC)ccc3[nH]c2[C@@H]1c1cccnc1	ZINC000072341979	563503527	/nfs/dbraw/zinc/50/35/27/563503527.db2.gz	PULLSOCTIGASQE-FQEVSTJZSA-N	1	0	321.424	3.929	40	0		DHABRO
COCC[C@@H]1CCOC12CC[NH+](Cc1cccc(Cl)c1)CC2	ZINC000585104151	563516816	/nfs/dbraw/zinc/51/68/16/563516816.db2.gz	GHTZCFQADSNIPS-MRXNPFEDSA-N	1	0	323.864	3.748	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccc(C)cc1)CC2	ZINC000585104652	563517048	/nfs/dbraw/zinc/51/70/48/563517048.db2.gz	KFBFVOVCWWZQQO-LJQANCHMSA-N	1	0	317.473	3.793	40	0		DHABRO
C[C@H]1C[C@H](C)C[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000095533128	563530544	/nfs/dbraw/zinc/53/05/44/563530544.db2.gz	ZIFHGHPZOZPZEN-BXWFABGCSA-N	1	0	313.441	3.557	40	0		DHABRO
c1cc(C[NH+]2CCC3(C[C@@H](c4cccnc4)CO3)CC2)cs1	ZINC000096047772	563532062	/nfs/dbraw/zinc/53/20/62/563532062.db2.gz	PAPVCEXCIDQGMB-QGZVFWFLSA-N	1	0	314.454	3.682	40	0		DHABRO
CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1ccoc1)CC2	ZINC000096049268	563532093	/nfs/dbraw/zinc/53/20/93/563532093.db2.gz	GBTXSDOMOODNDP-UHFFFAOYSA-N	1	0	318.461	3.530	40	0		DHABRO
Fc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1	ZINC000096049299	563532804	/nfs/dbraw/zinc/53/28/04/563532804.db2.gz	JEGLSOUCZWVJGY-UHFFFAOYSA-N	1	0	302.437	3.666	40	0		DHABRO
Cc1ccc(C[NH+]2CCC3(C[C@@H](OCC4CC4)CO3)CC2)s1	ZINC000096106611	563533249	/nfs/dbraw/zinc/53/32/49/563533249.db2.gz	KIWSMMAOOAWICO-MRXNPFEDSA-N	1	0	321.486	3.607	40	0		DHABRO
C[N@@H+]1CCC[C@H](Cc2cccc(-n3cnc4ccccc43)n2)CC1	ZINC000585263454	563537037	/nfs/dbraw/zinc/53/70/37/563537037.db2.gz	ZRZXYORSBPGCBI-INIZCTEOSA-N	1	0	320.440	3.695	40	0		DHABRO
CCCOc1c(C)cc(-c2noc([C@@H]3CCCC[NH2+]3)n2)cc1C	ZINC000095095399	563653351	/nfs/dbraw/zinc/65/33/51/563653351.db2.gz	KLGGHIGXDYLJET-HNNXBMFYSA-N	1	0	315.417	3.957	40	0		DHABRO
CCOc1c(C)cc(-c2noc([C@H]3CCCC[NH2+]3)n2)cc1C	ZINC000095095398	563653688	/nfs/dbraw/zinc/65/36/88/563653688.db2.gz	AQNYDELVONKIJC-CQSZACIVSA-N	1	0	301.390	3.567	40	0		DHABRO
Cn1c2ccccc2nc1[C@H]1CC[N@H+](CCCc2ccccc2)C1	ZINC000049171180	563701103	/nfs/dbraw/zinc/70/11/03/563701103.db2.gz	YEHHVSPRHHRKMP-SFHVURJKSA-N	1	0	319.452	3.995	40	0	biogenic,in-vitro	DHABRO
COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@@H](O)c1ccccc1	ZINC000022076434	563713744	/nfs/dbraw/zinc/71/37/44/563713744.db2.gz	RVTKBHTVBGBRTR-YVEFUNNKSA-N	1	0	305.805	3.560	40	0		DHABRO
CC(C)[C@H]1CN(Cc2ccco2)CC[N@@H+]1Cc1cccs1	ZINC000057729364	563720671	/nfs/dbraw/zinc/72/06/71/563720671.db2.gz	XFUZJKZQAOCQII-QGZVFWFLSA-N	1	0	304.459	3.684	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)CCc1ccc(F)cc1	ZINC000223359391	563733361	/nfs/dbraw/zinc/73/33/61/563733361.db2.gz	DVLMDBVDPOCVMH-SFHVURJKSA-N	1	0	320.452	3.529	40	0		DHABRO
COCc1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000224095058	563739267	/nfs/dbraw/zinc/73/92/67/563739267.db2.gz	QHHCYINMZWUPTR-UHFFFAOYSA-N	1	0	324.424	3.681	40	0		DHABRO
Cc1ccc(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(Cl)c1	ZINC000225001589	563746385	/nfs/dbraw/zinc/74/63/85/563746385.db2.gz	YSHDFEZANFGHKA-GASCZTMLSA-N	1	0	322.880	3.746	40	0		DHABRO
CCc1ccc(CC(=O)NCCC[N@H+]2CCCC[C@H]2CC)cc1	ZINC000260772887	563781016	/nfs/dbraw/zinc/78/10/16/563781016.db2.gz	XFSUCQKPMOKPSZ-LJQANCHMSA-N	1	0	316.489	3.562	40	0		DHABRO
Cc1c[nH]c([C@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)n1	ZINC000257251336	563792408	/nfs/dbraw/zinc/79/24/08/563792408.db2.gz	JQIUARBLKQEYAD-AWEZNQCLSA-N	1	0	323.396	3.793	40	0		DHABRO
CC1(c2ncc(Cl)s2)CCN(Cc2nccs2)CC1	ZINC000257256826	563792426	/nfs/dbraw/zinc/79/24/26/563792426.db2.gz	KNBCMECARZYQSF-UHFFFAOYSA-N	1	0	313.879	3.807	40	0		DHABRO
CCCn1ccnc1C[N@@H+]1CCC[C@H]1CCc1ccnc(C)c1	ZINC000257258991	563792767	/nfs/dbraw/zinc/79/27/67/563792767.db2.gz	KWJPPPKZBRGREC-SFHVURJKSA-N	1	0	312.461	3.594	40	0		DHABRO
Cc1ccc(OC[C@H](O)C[NH+]2CCC(C)CC2)c(C(C)(C)C)c1	ZINC000027531028	563812253	/nfs/dbraw/zinc/81/22/53/563812253.db2.gz	XVLCCMGLLHQIMU-QGZVFWFLSA-N	1	0	319.489	3.764	40	0		DHABRO
CCNc1cc(N2Cc3ccccc3C[C@H]2C)nc(C(C)C)[nH+]1	ZINC000329059685	563833628	/nfs/dbraw/zinc/83/36/28/563833628.db2.gz	WJEWBGQUPKIQJM-CQSZACIVSA-N	1	0	310.445	3.983	40	0		DHABRO
CC(C)c1ccc(CCC(=O)NCC[NH+]2CCCCCC2)cc1	ZINC000010334473	563922599	/nfs/dbraw/zinc/92/25/99/563922599.db2.gz	PJKGACXGHWTPDV-UHFFFAOYSA-N	1	0	316.489	3.735	40	0		DHABRO
O=C(CCSc1ccccc1)NCCC[NH+]1CCCCCC1	ZINC000010111106	563922640	/nfs/dbraw/zinc/92/26/40/563922640.db2.gz	CJNAWXYWHKWASL-UHFFFAOYSA-N	1	0	320.502	3.551	40	0		DHABRO
CC(=O)N1CC[C@H]2[C@H]1CCCCC[N@@H+]2Cc1cccc(Cl)c1	ZINC000019712366	563922877	/nfs/dbraw/zinc/92/28/77/563922877.db2.gz	DHKDMJQOMGTEQK-ZWKOTPCHSA-N	1	0	320.864	3.705	40	0		DHABRO
CC[C@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C)[nH+]1	ZINC000329066346	563960254	/nfs/dbraw/zinc/96/02/54/563960254.db2.gz	YAIDKHSLODENCW-AWEZNQCLSA-N	1	0	324.472	4.293	40	0		DHABRO
COCO[C@H]1CCCN(c2ccccc2C(=[NH2+])CC(C)C)C1	ZINC000065743343	568421935	/nfs/dbraw/zinc/42/19/35/568421935.db2.gz	OJRUJUHRNMSODK-HNNXBMFYSA-N	1	0	304.434	3.690	40	0	in-vitro	DHABRO
C[NH+]1CCC(C(=O)Nc2ccccc2Oc2ccccc2)CC1	ZINC000074713439	185011643	/nfs/dbraw/zinc/01/16/43/185011643.db2.gz	CNKMIEGSAQVYFT-UHFFFAOYSA-N	1	0	310.397	3.759	40	0		DHABRO
Cc1cc2nc(-c3cc(Br)c[n+](C)c3)oc2c(C)c1	ZINC000226774893	201786900	/nfs/dbraw/zinc/78/69/00/201786900.db2.gz	FVYXQXAADKBDRI-UHFFFAOYSA-N	1	0	318.194	3.699	40	0		DHABRO
CC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCCC2)cc1	ZINC000225592410	186280896	/nfs/dbraw/zinc/28/08/96/186280896.db2.gz	FRMOZAFBGWBUPL-UHFFFAOYSA-N	1	0	318.461	3.926	40	0		DHABRO
Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379132	191141071	/nfs/dbraw/zinc/14/10/71/191141071.db2.gz	SDWKIKQEGMFBBR-MRXNPFEDSA-N	1	0	310.445	3.698	40	0		DHABRO
Cc1nccn1-c1cccc(C2CC[NH+](C3CCCC3)CC2)n1	ZINC000072379138	191140810	/nfs/dbraw/zinc/14/08/10/191140810.db2.gz	XPPJFTAANPYHHF-UHFFFAOYSA-N	1	0	310.445	3.698	40	0		DHABRO
C[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000072881652	191245828	/nfs/dbraw/zinc/24/58/28/191245828.db2.gz	VZAVSTGRAXDHEW-CQSZACIVSA-N	1	0	302.462	3.503	40	0		DHABRO
C[C@@H](COC(=O)[C@H]([C@H]1C=CCC1)[C@H]1C=CCCC1)[NH+]1CCCC1	ZINC000004411191	181107573	/nfs/dbraw/zinc/10/75/73/181107573.db2.gz	XMEWHLNQVHUJQI-VJANTYMQSA-N	1	0	317.473	3.953	40	0		DHABRO
Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C(C)C)cc1	ZINC000004887838	181168917	/nfs/dbraw/zinc/16/89/17/181168917.db2.gz	HIUKSAQLQLHGAY-AYHJJNSGSA-N	1	0	315.461	3.910	40	0		DHABRO
CCCCCC[C@@H](O)C[NH2+]Cc1ccnc2ccc(OC)cc12	ZINC000005499179	181249999	/nfs/dbraw/zinc/24/99/99/181249999.db2.gz	HOLOTOVVMVTVKM-MRXNPFEDSA-N	1	0	316.445	3.664	40	0		DHABRO
CCCCCCc1nn(-c2ccccc2)[n+](-c2ccccc2)n1	ZINC000005792461	181284318	/nfs/dbraw/zinc/28/43/18/181284318.db2.gz	JKBMMNZUJFFGCT-UHFFFAOYSA-N	1	0	307.421	3.667	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1	ZINC000006008127	181305626	/nfs/dbraw/zinc/30/56/26/181305626.db2.gz	ZIFHGHPZOZPZEN-JTDSTZFVSA-N	1	0	313.441	3.557	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006356065	181333922	/nfs/dbraw/zinc/33/39/22/181333922.db2.gz	JMGJDVRKPVEILW-MHORFTMASA-N	1	0	319.489	3.918	40	0		DHABRO
CCC[NH+](CCC)C[C@H](O)c1cnc(-c2ccccc2)nc1C	ZINC000006380168	181335897	/nfs/dbraw/zinc/33/58/97/181335897.db2.gz	FFTSSWMLROJZSY-SFHVURJKSA-N	1	0	313.445	3.607	40	0		DHABRO
CC(C)n1cc(-c2cnc([C@@H]3CCC[N@@H+](C(C)C)C3)cn2)cn1	ZINC000257301463	203024916	/nfs/dbraw/zinc/02/49/16/203024916.db2.gz	RYNMPNBGXGANIC-OAHLLOKOSA-N	1	0	313.449	3.509	40	0		DHABRO
CC(C)n1cc(-c2nccnc2C2CC[NH+](C(C)C)CC2)cn1	ZINC000257283406	203010729	/nfs/dbraw/zinc/01/07/29/203010729.db2.gz	OYDVXJVDNPMGBH-UHFFFAOYSA-N	1	0	313.449	3.509	40	0		DHABRO
Cc1nc(-c2ccc(C[C@H]3CCC[N@@H+](C)C3)cn2)sc1C	ZINC000257289130	203016265	/nfs/dbraw/zinc/01/62/65/203016265.db2.gz	PXBYSUFWABWCFJ-OAHLLOKOSA-N	1	0	301.459	3.706	40	0		DHABRO
Cc1cnc(C2(C)CC[NH+](Cc3scnc3C)CC2)s1	ZINC000257331367	203055040	/nfs/dbraw/zinc/05/50/40/203055040.db2.gz	XSOJHFSINWPCPS-UHFFFAOYSA-N	1	0	307.488	3.770	40	0		DHABRO
CC(C)n1nccc1-c1cc(C[C@@H]2CC[N@@H+](C(C)C)C2)ccn1	ZINC000257325298	203049587	/nfs/dbraw/zinc/04/95/87/203049587.db2.gz	WSIKFYVOQGZJCX-KRWDZBQOSA-N	1	0	312.461	3.799	40	0		DHABRO
Cc1nc(COC[C@@]23CCC[C@@H]2C[N@@H+](C2CCC2)C3)cs1	ZINC000096109291	193540979	/nfs/dbraw/zinc/54/09/79/193540979.db2.gz	ZAYXTDDFQWEASN-PBHICJAKSA-N	1	0	306.475	3.623	40	0		DHABRO
c1cc(-c2noc([C@H]3CC[N@@H+](CC4CCCCC4)C3)n2)ccn1	ZINC000019405874	182121935	/nfs/dbraw/zinc/12/19/35/182121935.db2.gz	AATCIHJDOVYKNY-INIZCTEOSA-N	1	0	312.417	3.501	40	0		DHABRO
Cc1nn(C)cc1C[N@@H+]1C[C@H](c2ccccc2)C2(CCCC2)C1	ZINC000019583736	182131916	/nfs/dbraw/zinc/13/19/16/182131916.db2.gz	UQWQSJGPWLYRMU-LJQANCHMSA-N	1	0	309.457	3.888	40	0		DHABRO
CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1Cc1cc(C)no1	ZINC000019520206	182127300	/nfs/dbraw/zinc/12/73/00/182127300.db2.gz	GHJHNGAZORRNBS-MAUKXSAKSA-N	1	0	314.429	3.883	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N(C)C3CCCC3)cc2)C1	ZINC000020038908	182182750	/nfs/dbraw/zinc/18/27/50/182182750.db2.gz	GADMJEFQKGIUAB-INIZCTEOSA-N	1	0	314.473	3.933	40	0		DHABRO
COc1ccccc1CN1CC[NH+](C2CCCCCC2)CC1	ZINC000022032072	182305340	/nfs/dbraw/zinc/30/53/40/182305340.db2.gz	KCIAPRKVZCRXCL-UHFFFAOYSA-N	1	0	302.462	3.536	40	0		DHABRO
I/C=C/C[NH2+]Cc1cccc2ccccc21	ZINC000022061484	182307228	/nfs/dbraw/zinc/30/72/28/182307228.db2.gz	SQDOINGZYLZAOT-RUDMXATFSA-N	1	0	323.177	3.878	40	0	in-vitro	DHABRO
CN(C)CC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000022075052	182307881	/nfs/dbraw/zinc/30/78/81/182307881.db2.gz	XEPJNAVZYYCVAH-UHFFFAOYSA-N	1	0	318.848	3.570	40	0		DHABRO
CCCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000022533103	182325624	/nfs/dbraw/zinc/32/56/24/182325624.db2.gz	CZSFJZJLWQOKJS-INIZCTEOSA-N	1	0	302.462	3.839	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCCC3)cc2)C1	ZINC000022529322	182325175	/nfs/dbraw/zinc/32/51/75/182325175.db2.gz	HUIISOZCQIZWFG-INIZCTEOSA-N	1	0	300.446	3.545	40	0		DHABRO
C[C@@H]1CCC[C@@H](C)[NH+]1C[C@@H](O)COc1ccc2ccccc2c1	ZINC000026781050	182453316	/nfs/dbraw/zinc/45/33/16/182453316.db2.gz	NXCMPCZBKQUWRK-GPMSIDNRSA-N	1	0	313.441	3.842	40	0		DHABRO
Cc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038833274	183011697	/nfs/dbraw/zinc/01/16/97/183011697.db2.gz	NAHDNFBEBFXOEC-SFHVURJKSA-N	1	0	308.425	3.846	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1C	ZINC000061247006	184166604	/nfs/dbraw/zinc/16/66/04/184166604.db2.gz	QTTUBRMBILLZMK-UHFFFAOYSA-N	1	0	319.518	3.856	40	0		DHABRO
CCC[N@@H+]1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214439	257126642	/nfs/dbraw/zinc/12/66/42/257126642.db2.gz	MBCDJIYNSFTMFY-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCC[NH2+]2)cn1	ZINC000072214840	257126680	/nfs/dbraw/zinc/12/66/80/257126680.db2.gz	PKGGCXVBIPODIH-AWEZNQCLSA-N	1	0	305.422	3.656	40	0		DHABRO
C[C@@](C[NH+]1CCCC1)(Oc1ccccc1)C(=O)c1ccccc1	ZINC000001570858	563285798	/nfs/dbraw/zinc/28/57/98/563285798.db2.gz	UAQAYRICCZLYQR-FQEVSTJZSA-N	1	0	309.409	3.803	40	0		DHABRO
CCCOc1cc(C)c(C(=O)O[C@@H](C)C[NH+]2CCCC2)c(C)c1	ZINC000001640869	563288545	/nfs/dbraw/zinc/28/85/45/563288545.db2.gz	ZVYFJIBPPYCIQV-INIZCTEOSA-N	1	0	319.445	3.733	40	0		DHABRO
CCOC(=O)[C@@H]1CC2(CC[C@H]1[NH3+])c1ccccc1-c1ccccc12	ZINC000001690272	563291766	/nfs/dbraw/zinc/29/17/66/563291766.db2.gz	ZXMLXVVRBMOTQI-VQIMIIECSA-N	1	0	321.420	3.644	40	0		DHABRO
Cc1cc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1Cl	ZINC000002532890	563308439	/nfs/dbraw/zinc/30/84/39/563308439.db2.gz	HWEKXNATKPHZJB-KKUMJFAQSA-N	1	0	311.853	3.651	40	0		DHABRO
CCCCCC[NH2+]Cc1ccc(OCC(=O)NC(C)(C)C)cc1	ZINC000007261036	563337331	/nfs/dbraw/zinc/33/73/31/563337331.db2.gz	GUVNHXROVORIOC-UHFFFAOYSA-N	1	0	320.477	3.650	40	0		DHABRO
CCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1OCC	ZINC000008324876	563346062	/nfs/dbraw/zinc/34/60/62/563346062.db2.gz	CALOKVYYBVQLDC-UHFFFAOYSA-N	1	0	317.404	3.955	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccccc2C(C)(C)C)C1	ZINC000037530375	563458161	/nfs/dbraw/zinc/45/81/61/563458161.db2.gz	VMQLBGCPIVMCQJ-BBWFWOEESA-N	1	0	319.489	3.702	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CO[C@H]2C[C@H](C)CC(C)(C)C2)C1	ZINC000247884852	563480092	/nfs/dbraw/zinc/48/00/92/563480092.db2.gz	SLJQCXKWMCDIOX-JCECYMMASA-N	1	0	311.510	3.557	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCCC[C@H]1C	ZINC000245318931	563480279	/nfs/dbraw/zinc/48/02/79/563480279.db2.gz	XPSYBIYXGAGNCI-BBWFWOEESA-N	1	0	305.462	3.814	40	0		DHABRO
COCC[C@H]1Cn2cccc2C[N@H+](Cc2sccc2C)C1	ZINC000585095466	563516168	/nfs/dbraw/zinc/51/61/68/563516168.db2.gz	SEPKWYMQIPMNMZ-OAHLLOKOSA-N	1	0	304.459	3.527	40	0		DHABRO
c1ccc([C@@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cc1	ZINC000096073461	563533406	/nfs/dbraw/zinc/53/34/06/563533406.db2.gz	QJMNXUCVMXNXRP-PMACEKPBSA-N	1	0	308.425	3.620	40	0		DHABRO
Cc1cc(OC[C@@]2(O)CCC[N@@H+](C3CCC3)C2)cc(C)c1Cl	ZINC000585282136	563541910	/nfs/dbraw/zinc/54/19/10/563541910.db2.gz	YCZWUPNSTVUYJK-GOSISDBHSA-N	1	0	323.864	3.715	40	0		DHABRO
Cc1ccn2c(c1)nc(-c1ccccc1)c2NC[C@H]1CCCO1	ZINC000000417329	563608229	/nfs/dbraw/zinc/60/82/29/563608229.db2.gz	DKUZPZWXJHLFCI-MRXNPFEDSA-N	1	0	307.397	3.901	40	0		DHABRO
C[C@H]1C[C@@H](OC[C@@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)CC(C)(C)C1	ZINC000006996370	563625704	/nfs/dbraw/zinc/62/57/04/563625704.db2.gz	FWSHCMODWGVIGW-OBVSXPTNSA-N	1	0	311.510	3.842	40	0		DHABRO
c1ccc(C[N@H+]2CC[C@H](CNc3ncnc4ccccc43)C2)cc1	ZINC000001672561	563633869	/nfs/dbraw/zinc/63/38/69/563633869.db2.gz	UDUVTWVITKQZKA-QGZVFWFLSA-N	1	0	318.424	3.564	40	0	in-vitro	DHABRO
COc1cc(C[NH2+]C2CCCCCCC2)cc(OC)c1OC	ZINC000007523480	563640494	/nfs/dbraw/zinc/64/04/94/563640494.db2.gz	CCUMLECIHVKTCL-UHFFFAOYSA-N	1	0	307.434	3.915	40	0		DHABRO
C[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1	ZINC000008377354	563642546	/nfs/dbraw/zinc/64/25/46/563642546.db2.gz	GADXMNPBMHTWLL-UHFFFAOYSA-N	1	0	324.193	3.887	40	0		DHABRO
COCC[NH2+]Cc1ccccc1OCc1ccccc1Cl	ZINC000008469250	563643686	/nfs/dbraw/zinc/64/36/86/563643686.db2.gz	QNSKEVCRFXKOJR-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1OC	ZINC000008731537	563644063	/nfs/dbraw/zinc/64/40/63/563644063.db2.gz	PKHPFDVZODZGIE-MRXNPFEDSA-N	1	0	305.418	3.541	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCOc1c(C=O)cccc1OC	ZINC000008731541	563644095	/nfs/dbraw/zinc/64/40/95/563644095.db2.gz	DOEZLIPWEGLPHN-MRXNPFEDSA-N	1	0	305.418	3.541	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@H]1CC	ZINC000008731539	563644346	/nfs/dbraw/zinc/64/43/46/563644346.db2.gz	IPQBYUCPQQDSAF-QGZVFWFLSA-N	1	0	319.445	3.931	40	0		DHABRO
CC1CC[NH+](CCCNC(=O)/C=C/c2ccc(Cl)cc2)CC1	ZINC000010540250	563649347	/nfs/dbraw/zinc/64/93/47/563649347.db2.gz	URRVNHBMQIKZPG-VMPITWQZSA-N	1	0	320.864	3.591	40	0		DHABRO
COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@H](O)c1ccccc1	ZINC000022076440	563713751	/nfs/dbraw/zinc/71/37/51/563713751.db2.gz	RVTKBHTVBGBRTR-PXAZEXFGSA-N	1	0	305.805	3.560	40	0		DHABRO
O=C(NCC1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000224095344	563739376	/nfs/dbraw/zinc/73/93/76/563739376.db2.gz	UUALOKIVKZMNRY-UHFFFAOYSA-N	1	0	300.446	3.593	40	0		DHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1C	ZINC000224638156	563743196	/nfs/dbraw/zinc/74/31/96/563743196.db2.gz	ILAFEQGWKSFVEM-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
Cc1ccc(CCC(=O)NCCC[NH+]2CCCCCC2)cc1C	ZINC000225769797	563762916	/nfs/dbraw/zinc/76/29/16/563762916.db2.gz	QUXNJZWFAHBGGA-UHFFFAOYSA-N	1	0	316.489	3.618	40	0		DHABRO
Cc1ccc2c(c1)OC1(CC[NH+](Cc3ccccc3)CC1)CC2=O	ZINC000225816337	563764181	/nfs/dbraw/zinc/76/41/81/563764181.db2.gz	XZCCMLAQMNZVBB-UHFFFAOYSA-N	1	0	321.420	3.995	40	0		DHABRO
Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1	ZINC000257231269	563791374	/nfs/dbraw/zinc/79/13/74/563791374.db2.gz	GFZLSESQACIFAB-MRXNPFEDSA-N	1	0	306.413	3.646	40	0		DHABRO
CCn1nccc1-c1cc(C)nc([C@H]2CCCC[N@@H+]2C(C)C)n1	ZINC000257234126	563791496	/nfs/dbraw/zinc/79/14/96/563791496.db2.gz	GSGDCINYNIDUHB-QGZVFWFLSA-N	1	0	313.449	3.604	40	0		DHABRO
Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1	ZINC000257256491	563792266	/nfs/dbraw/zinc/79/22/66/563792266.db2.gz	KLRZXNHLSCZDAQ-INIZCTEOSA-N	1	0	306.413	3.646	40	0		DHABRO
Cc1c[nH]c([C@@H]2CCCN(C(=O)c3oc4ccccc4c3C)C2)n1	ZINC000257251337	563792589	/nfs/dbraw/zinc/79/25/89/563792589.db2.gz	JQIUARBLKQEYAD-CQSZACIVSA-N	1	0	323.396	3.793	40	0		DHABRO
c1ccc2c(C[C@@H]3CC[N@@H+](CC4CCOCC4)C3)ccnc2c1	ZINC000257250673	563792724	/nfs/dbraw/zinc/79/27/24/563792724.db2.gz	JNMVRZGCMRSOBY-KRWDZBQOSA-N	1	0	310.441	3.526	40	0		DHABRO
CC(C)c1nc(N2CCc3ccccc3C2)cc(NC2CC2)[nH+]1	ZINC000328965946	563832609	/nfs/dbraw/zinc/83/26/09/563832609.db2.gz	CHBXYGRBQVRLFN-UHFFFAOYSA-N	1	0	308.429	3.737	40	0		DHABRO
CCc1cc(N2CCc3ccccc3C2)nc(NC2CCCC2)[nH+]1	ZINC000329030767	563833519	/nfs/dbraw/zinc/83/35/19/563833519.db2.gz	QGGLKIASPZSPKI-UHFFFAOYSA-N	1	0	322.456	3.956	40	0		DHABRO
COc1ccc(OC[C@@H]2C[N@H+](C)CC[C@H]2c2ccccc2)cc1	ZINC000000001420	563840716	/nfs/dbraw/zinc/84/07/16/563840716.db2.gz	OJSFTALXCYKKFQ-PXNSSMCTSA-N	1	0	311.425	3.810	40	0	in-vitro	DHABRO
Brc1ccc([C@H]2C[C@@H]2C[NH+]2CCSCC2)cc1	ZINC000575424336	563856938	/nfs/dbraw/zinc/85/69/38/563856938.db2.gz	ZFJMTEABFKBRAP-TZMCWYRMSA-N	1	0	312.276	3.601	40	0		DHABRO
CC[N@H+](C[C@H](O)COc1cccc(C)c1C)C1CCCCC1	ZINC000026780466	563873496	/nfs/dbraw/zinc/87/34/96/563873496.db2.gz	GGXUGBBTPCXPIK-SFHVURJKSA-N	1	0	305.462	3.698	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2)CC1	ZINC000100085802	563889417	/nfs/dbraw/zinc/88/94/17/563889417.db2.gz	OHLUWOBLCVPXBJ-IYBDPMFKSA-N	1	0	304.434	3.612	40	0		DHABRO
O=C(NCCC1=CCCCC1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010362287	563922618	/nfs/dbraw/zinc/92/26/18/563922618.db2.gz	WDMRHZJLQWWXCR-UHFFFAOYSA-N	1	0	312.457	3.903	40	0		DHABRO
O=C(NC1CCCCCC1)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010332196	563922634	/nfs/dbraw/zinc/92/26/34/563922634.db2.gz	PPVLJLHOFUYFSO-UHFFFAOYSA-N	1	0	300.446	3.735	40	0		DHABRO
C[C@@H](CC(=O)[C@@H]1[C@@H](C)C=CCC1(C)C)[NH2+]Cc1cccnc1	ZINC000013786272	563928804	/nfs/dbraw/zinc/92/88/04/563928804.db2.gz	YOGMQUBAEAYSMA-MPGHIAIKSA-N	1	0	300.446	3.757	40	0		DHABRO
CC[C@@H](C)Oc1c(C)cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095425	563930870	/nfs/dbraw/zinc/93/08/70/563930870.db2.gz	WACWLENGESNBKY-UKRRQHHQSA-N	1	0	315.417	3.955	40	0		DHABRO
Cc1ccc2cc(C[NH2+]CCCc3ccccc3)c(=O)[nH]c2c1C	ZINC000013566553	568413137	/nfs/dbraw/zinc/41/31/37/568413137.db2.gz	KGUZCEFNPHTWBF-UHFFFAOYSA-N	1	0	320.436	3.867	40	0		DHABRO
Cn1nc(-c2ccccc2)cc1C[NH2+]Cc1ccc(F)s1	ZINC000256053971	1024640550	/nfs/dbraw/zinc/64/05/50/1024640550.db2.gz	UKBNVYBVMWYFHL-UHFFFAOYSA-N	1	0	301.390	3.578	40	0		DHABRO
C[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)OC(C)(C)C)c1ccccn1	ZINC000079438549	185171381	/nfs/dbraw/zinc/17/13/81/185171381.db2.gz	CPRORZXBJYSPNC-HUUCEWRRSA-N	1	0	319.449	3.522	40	0		DHABRO
C[NH2+][C@@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C(C)C	ZINC000079437868	185171425	/nfs/dbraw/zinc/17/14/25/185171425.db2.gz	URQCCMFLWKGVAR-IAGOWNOFSA-N	1	0	304.434	3.564	40	0		DHABRO
C[NH2+][C@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C(C)C	ZINC000079437863	185171437	/nfs/dbraw/zinc/17/14/37/185171437.db2.gz	URQCCMFLWKGVAR-DLBZAZTESA-N	1	0	304.434	3.564	40	0		DHABRO
c1ccc(C[NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1	ZINC000306142886	231091690	/nfs/dbraw/zinc/09/16/90/231091690.db2.gz	XNFUIDIACPOEKM-IBGZPJMESA-N	1	0	315.420	3.791	40	0		DHABRO
O=C(Cc1ccccc1)NCc1ccccc1C[NH+]1CCCCC1	ZINC000069897081	190834921	/nfs/dbraw/zinc/83/49/21/190834921.db2.gz	FABXQUCLVXOLQT-UHFFFAOYSA-N	1	0	322.452	3.531	40	0		DHABRO
c1ccc2c(c1)cncc2C[C@H]1CC[N@H+](Cc2cccnc2)C1	ZINC000072367970	191136837	/nfs/dbraw/zinc/13/68/37/191136837.db2.gz	WZWMNFIANIMUCR-MRXNPFEDSA-N	1	0	303.409	3.694	40	0		DHABRO
c1cn(-c2cccc([C@H]3CCC[N@@H+](C4CCCCC4)C3)n2)cn1	ZINC000072378710	191140260	/nfs/dbraw/zinc/14/02/60/191140260.db2.gz	QLLSBISZAZPDDY-INIZCTEOSA-N	1	0	310.445	3.779	40	0		DHABRO
C[C@H](C[NH+]1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1	ZINC000004416228	181108030	/nfs/dbraw/zinc/10/80/30/181108030.db2.gz	KMIMUNJWKNUUOF-NEWSRXKRSA-N	1	0	313.441	3.764	40	0		DHABRO
O=C(NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Cl)cc1	ZINC000004882700	181167726	/nfs/dbraw/zinc/16/77/26/181167726.db2.gz	NQVALRZZPIFDRZ-ZXFUBFMLSA-N	1	0	318.848	3.618	40	0		DHABRO
CC(C)(C)c1ccc(C(=O)N2CC[NH+]=Cc3cc(N)ccc32)cc1	ZINC000073642202	191335095	/nfs/dbraw/zinc/33/50/95/191335095.db2.gz	MYWWMUCHBUVHEU-UHFFFAOYSA-N	1	0	321.424	3.646	40	0		DHABRO
Nc1ccc2c(c1)C=[NH+]CCN2C(=O)c1ccc2ccccc2c1	ZINC000073642331	191335253	/nfs/dbraw/zinc/33/52/53/191335253.db2.gz	HFHFLZRCYUMXSP-UHFFFAOYSA-N	1	0	315.376	3.501	40	0		DHABRO
C[N@H+](CC[C@]1(C)c2ccccc2CCC1=O)Cc1ccccc1	ZINC000005495695	181250110	/nfs/dbraw/zinc/25/01/10/181250110.db2.gz	ZMKGNTPUJWEYCT-OAQYLSRUSA-N	1	0	307.437	3.982	40	0		DHABRO
Cc1ncc([C@@](C)(O)c2ccccc2C)n1Cc1ccccc1	ZINC000005504147	181250348	/nfs/dbraw/zinc/25/03/48/181250348.db2.gz	ZHPCBONTGXXFMC-FQEVSTJZSA-N	1	0	306.409	3.804	40	0		DHABRO
CC[C@@H]1C[C@H]2C[C@H]3c4c(c5cc(OC)ccc5n4C)CC[N@@H+](C2)[C@H]13	ZINC000005499967	181250411	/nfs/dbraw/zinc/25/04/11/181250411.db2.gz	GZIPIZQXYGKJCX-GOYGXENFSA-N	1	0	324.468	3.947	40	0		DHABRO
CC[NH2+][C@@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1	ZINC000005472143	181247382	/nfs/dbraw/zinc/24/73/82/181247382.db2.gz	LALGVBGKEVDTEZ-KRWDZBQOSA-N	1	0	321.376	3.717	40	0		DHABRO
C[NH+](C)CCCOc1nnc(Cc2ccccc2)c2ccccc21	ZINC000005535357	181254652	/nfs/dbraw/zinc/25/46/52/181254652.db2.gz	PTNYCEQLUWCYAR-UHFFFAOYSA-N	1	0	321.424	3.551	40	0		DHABRO
[NH3+][C@H]1CCCc2c(Br)cc(Br)cc21	ZINC000238578536	202449779	/nfs/dbraw/zinc/44/97/79/202449779.db2.gz	DLMBQGHXNMPNFN-JTQLQIEISA-N	1	0	305.013	3.548	40	0		DHABRO
Cc1cc(C)c(OC[C@@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1	ZINC000006008552	181305659	/nfs/dbraw/zinc/30/56/59/181305659.db2.gz	YUHHTAQBGVWCLG-SFHVURJKSA-N	1	0	305.462	3.616	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000006355904	181333969	/nfs/dbraw/zinc/33/39/69/181333969.db2.gz	JHQZQXQDMVUSSM-GVDBMIGSSA-N	1	0	305.462	3.672	40	0		DHABRO
COCCC[NH2+]Cc1cc(C)n(Cc2ccccc2Cl)c1C	ZINC000223664330	201651771	/nfs/dbraw/zinc/65/17/71/201651771.db2.gz	IWXDIZBFSGUWRZ-UHFFFAOYSA-N	1	0	320.864	3.933	40	0		DHABRO
Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c1	ZINC000255188217	202908495	/nfs/dbraw/zinc/90/84/95/202908495.db2.gz	IZTBYOBQQOPEHY-QAQDUYKDSA-N	1	0	318.461	3.921	40	0		DHABRO
c1ncc(C[N@H+]2CC[C@@H](Cc3ccnc4ccccc34)C2)s1	ZINC000257272818	203001486	/nfs/dbraw/zinc/00/14/86/203001486.db2.gz	NDZMJIFTPZZVGF-AWEZNQCLSA-N	1	0	309.438	3.756	40	0		DHABRO
CCn1nccc1-c1ccc(C[C@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257325589	203049138	/nfs/dbraw/zinc/04/91/38/203049138.db2.gz	WTPXZTFOZRQQMN-QGZVFWFLSA-N	1	0	312.461	3.628	40	0		DHABRO
CCc1cccc2cc(C[NH2+]CCCc3ccccc3)c(=O)[nH]c21	ZINC000013566554	181863581	/nfs/dbraw/zinc/86/35/81/181863581.db2.gz	AOQYGLMZHXOTCR-UHFFFAOYSA-N	1	0	320.436	3.813	40	0		DHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)Nc1ccccc1	ZINC000018177375	182096489	/nfs/dbraw/zinc/09/64/89/182096489.db2.gz	RVJLORUEOKFZSS-UHFFFAOYSA-N	1	0	323.440	3.994	40	0		DHABRO
c1ccc([C@H]2CC[NH2+][C@@H]3CCCCN(Cc4ccccn4)[C@H]23)cc1	ZINC000019373931	182120465	/nfs/dbraw/zinc/12/04/65/182120465.db2.gz	QQCZUBMJPMCNNH-NJDAHSKKSA-N	1	0	321.468	3.582	40	0		DHABRO
Fc1cccc(Cn2c([C@H]3CCC[NH2+]C3)cc3cccnc32)c1	ZINC000019293950	182113893	/nfs/dbraw/zinc/11/38/93/182113893.db2.gz	UATZYHXHOHGTBZ-INIZCTEOSA-N	1	0	309.388	3.691	40	0		DHABRO
CCCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CC[N@@H+]2C	ZINC000019501430	182125710	/nfs/dbraw/zinc/12/57/10/182125710.db2.gz	GLEYUGIMDNZXCC-QWFCFKBJSA-N	1	0	314.473	3.656	40	0		DHABRO
C1C[C@H]2C[C@@H]1C[C@@H]2N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1	ZINC000019771304	182145343	/nfs/dbraw/zinc/14/53/43/182145343.db2.gz	DGBCPCJXUAXBRF-GCTRJKTOSA-N	1	0	314.517	3.617	40	0		DHABRO
c1ccc(C[N@@H+]2CCC[C@@H](N3CCc4ccccc4C3)C2)cc1	ZINC000019927141	182165023	/nfs/dbraw/zinc/16/50/23/182165023.db2.gz	ODVVJXVYUJETBD-OAQYLSRUSA-N	1	0	306.453	3.709	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCCCC3)cc2)C1	ZINC000022529317	182324990	/nfs/dbraw/zinc/32/49/90/182324990.db2.gz	HUIISOZCQIZWFG-MRXNPFEDSA-N	1	0	300.446	3.545	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1CN(CCc1ccccc1)Cc1ccncc1	ZINC000022913852	182340413	/nfs/dbraw/zinc/34/04/13/182340413.db2.gz	ZHTZVUMYEBHYFL-NRFANRHFSA-N	1	0	323.484	3.611	40	0		DHABRO
Cc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1	ZINC000100809717	193805025	/nfs/dbraw/zinc/80/50/25/193805025.db2.gz	GNOJHPCDMYQAHO-CALCHBBNSA-N	1	0	318.461	3.921	40	0		DHABRO
Cc1cccc(NC(=S)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1	ZINC000044140375	183396411	/nfs/dbraw/zinc/39/64/11/183396411.db2.gz	HMTMGBVSHNOJNC-IYBDPMFKSA-N	1	0	319.518	3.649	40	0		DHABRO
Cc1cc(C)cc(NC(=S)NCCC[NH+]2CCCCCC2)c1	ZINC000061247049	184166910	/nfs/dbraw/zinc/16/69/10/184166910.db2.gz	WRJBLBGLCXWXLB-UHFFFAOYSA-N	1	0	319.518	3.856	40	0		DHABRO
[NH3+]CC1(c2cc(-c3ccc(Br)cc3)on2)CCCC1	ZINC000072220694	257124086	/nfs/dbraw/zinc/12/40/86/257124086.db2.gz	NBNYWFTZXVFEEI-UHFFFAOYSA-N	1	0	321.218	3.875	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C	ZINC000072214724	257125949	/nfs/dbraw/zinc/12/59/49/257125949.db2.gz	ZYIOUUXCLLIKAQ-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214438	257126187	/nfs/dbraw/zinc/12/61/87/257126187.db2.gz	ZWDVVPJYIFFFTL-HNNXBMFYSA-N	1	0	319.449	3.998	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCC[N@@H+]1C	ZINC000072214904	257126247	/nfs/dbraw/zinc/12/62/47/257126247.db2.gz	UQCWOTAVSGPSEK-OAHLLOKOSA-N	1	0	319.449	3.998	40	0		DHABRO
C[NH2+][C@@H](c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000072207696	257128094	/nfs/dbraw/zinc/12/80/94/257128094.db2.gz	PXDBZPAFECMRLS-HOTGVXAUSA-N	1	0	304.434	3.594	40	0		DHABRO
CCOc1ccc(Cl)cc1-c1noc([C@H]2CCCC[NH2+]2)n1	ZINC000072209124	257128212	/nfs/dbraw/zinc/12/82/12/257128212.db2.gz	SGYQSZMFUVRBHA-GFCCVEGCSA-N	1	0	307.781	3.603	40	0		DHABRO
OC[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCC1	ZINC000070453344	257128404	/nfs/dbraw/zinc/12/84/04/257128404.db2.gz	JZABXBFHQGMQOR-FQEVSTJZSA-N	1	0	311.425	3.785	40	0		DHABRO
CCC(=O)O[C@@]1(c2ccccc2)CC[N@H+](C)C[C@@H]1c1ccccc1	ZINC000001593598	563286793	/nfs/dbraw/zinc/28/67/93/563286793.db2.gz	NFOFODLZYVUMFC-TZIWHRDSSA-N	1	0	323.436	3.954	40	0		DHABRO
CC[NH+](CC)[C@H](Cc1ccccc1)c1ccc(OCCO)cc1	ZINC000001668864	563289988	/nfs/dbraw/zinc/28/99/88/563289988.db2.gz	NKQCZMPDNOVGMO-HXUWFJFHSA-N	1	0	313.441	3.683	40	0		DHABRO
C[N@@H+]1CCCN(C(=O)N(c2ccccc2)c2ccccc2)CC1	ZINC000001677210	563290767	/nfs/dbraw/zinc/29/07/67/563290767.db2.gz	URDGEWDSWDSTGN-UHFFFAOYSA-N	1	0	309.413	3.582	40	0		DHABRO
CC[NH+](CC)CCOC(=O)c1ccccc1Nc1ccccc1	ZINC000001697196	563292018	/nfs/dbraw/zinc/29/20/18/563292018.db2.gz	ZECKUXDOHUSRDY-UHFFFAOYSA-N	1	0	312.413	3.929	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1	ZINC000002694372	563310945	/nfs/dbraw/zinc/31/09/45/563310945.db2.gz	RKIYHUWPPCZGFT-AEFFLSMTSA-N	1	0	313.441	3.901	40	0		DHABRO
CCOc1c(Br)cc(C[NH2+]CC(C)C)cc1OC	ZINC000008253335	563345298	/nfs/dbraw/zinc/34/52/98/563345298.db2.gz	LGXKYOJCMLXYBR-UHFFFAOYSA-N	1	0	316.239	3.602	40	0		DHABRO
Fc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccncc2)cc1	ZINC000012338003	563366097	/nfs/dbraw/zinc/36/60/97/563366097.db2.gz	VQWMKTDYCZUVSX-AYBZRNKSSA-N	1	0	312.388	3.653	40	0		DHABRO
CC(C)CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220599	563430908	/nfs/dbraw/zinc/43/09/08/563430908.db2.gz	HSRPEUGEXWGWCQ-MRXNPFEDSA-N	1	0	322.880	3.714	40	0		DHABRO
O=C(c1ccccc1)[C@H]1CCC[C@@H](C[C@@H](O)c2ccccc2)[NH2+]1	ZINC000071775436	563458884	/nfs/dbraw/zinc/45/88/84/563458884.db2.gz	CNWKJIFYKGLTLI-IPMKNSEASA-N	1	0	309.409	3.504	40	0		DHABRO
COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@@H]3c1cccnc1	ZINC000072341978	563503566	/nfs/dbraw/zinc/50/35/66/563503566.db2.gz	IGJYEFICYLYPHR-HXUWFJFHSA-N	1	0	321.424	3.927	40	0		DHABRO
c1csc(C[NH+]2CCC3(C[C@H](c4cccnc4)CO3)CC2)c1	ZINC000096047769	563532067	/nfs/dbraw/zinc/53/20/67/563532067.db2.gz	AXUBFKKXWAPYIO-INIZCTEOSA-N	1	0	314.454	3.682	40	0		DHABRO
Cc1ccccc1C[N@H+]1CCC[C@]12CCCN(C(=O)C(C)C)C2	ZINC000096071311	563532396	/nfs/dbraw/zinc/53/23/96/563532396.db2.gz	CYJRPTIFIAETAY-FQEVSTJZSA-N	1	0	314.473	3.608	40	0		DHABRO
Cc1ccccc1C[NH+]1CCC2(CCCN2C(=O)C(C)C)CC1	ZINC000096075192	563533348	/nfs/dbraw/zinc/53/33/48/563533348.db2.gz	BUUCWBLAZPIJPI-UHFFFAOYSA-N	1	0	314.473	3.608	40	0		DHABRO
[NH3+][C@@H](CNC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295487	563536459	/nfs/dbraw/zinc/53/64/59/563536459.db2.gz	DWWDQIVHSPBXFK-IBGZPJMESA-N	1	0	320.392	3.766	40	0		DHABRO
Cc1cc([C@H]2c3ccccc3CCC[N@@H+]2[C@@H]2CCOC2)ccn1	ZINC000096260792	563536474	/nfs/dbraw/zinc/53/64/74/563536474.db2.gz	OPOOVEDFDNTLAZ-QUCCMNQESA-N	1	0	308.425	3.517	40	0		DHABRO
Cc1ccc(CC[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1	ZINC000013998922	563549491	/nfs/dbraw/zinc/54/94/91/563549491.db2.gz	OHEZEGYWSNNIRY-UHFFFAOYSA-N	1	0	320.436	3.786	40	0		DHABRO
c1cc(C[N@H+]2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)cs1	ZINC000107751977	563567190	/nfs/dbraw/zinc/56/71/90/563567190.db2.gz	WMUHCITWGNZEDZ-MSOLQXFVSA-N	1	0	321.486	3.546	40	0		DHABRO
C[n+]1cc(Br)cc(-c2nc3ccc(F)cc3s2)c1	ZINC000226776833	563605121	/nfs/dbraw/zinc/60/51/21/563605121.db2.gz	VZUFMXUESWFVHK-UHFFFAOYSA-N	1	0	324.198	3.689	40	0		DHABRO
CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000008337034	563642361	/nfs/dbraw/zinc/64/23/61/563642361.db2.gz	ODNXQJXEAWVLML-QGZVFWFLSA-N	1	0	319.832	3.780	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[NH+]1CCCCCC1	ZINC000206983088	563698912	/nfs/dbraw/zinc/69/89/12/563698912.db2.gz	OAJIFQKHYYFKAD-UHFFFAOYSA-N	1	0	305.418	3.543	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000217797788	563714477	/nfs/dbraw/zinc/71/44/77/563714477.db2.gz	ZDGOODLOJPYYCM-IYBDPMFKSA-N	1	0	319.445	3.645	40	0		DHABRO
COc1cc(C=O)ccc1OCCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217791281	563714697	/nfs/dbraw/zinc/71/46/97/563714697.db2.gz	FAIPTXGOFBMLBZ-HUUCEWRRSA-N	1	0	305.418	3.540	40	0		DHABRO
COc1cccc(C=O)c1OCCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217790032	563714759	/nfs/dbraw/zinc/71/47/59/563714759.db2.gz	HUEIPUFUKWDIOH-HUUCEWRRSA-N	1	0	305.418	3.540	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[NH+]1[C@H](C)CCC[C@H]1C	ZINC000217797699	563714840	/nfs/dbraw/zinc/71/48/40/563714840.db2.gz	KUIVQBHRCSDPJN-HZPDHXFCSA-N	1	0	319.445	3.930	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(C)cc1C	ZINC000224802785	563745032	/nfs/dbraw/zinc/74/50/32/563745032.db2.gz	QMFUJFWDWIZMDJ-IBGZPJMESA-N	1	0	316.489	3.617	40	0		DHABRO
CCc1ccc(CC(=O)NCCC[N@H+]2CCCC[C@@H]2CC)cc1	ZINC000225510127	563757271	/nfs/dbraw/zinc/75/72/71/563757271.db2.gz	XFSUCQKPMOKPSZ-IBGZPJMESA-N	1	0	316.489	3.562	40	0		DHABRO
Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1	ZINC000257201853	563789494	/nfs/dbraw/zinc/78/94/94/563789494.db2.gz	AJHVJPPFSNFVRT-INIZCTEOSA-N	1	0	306.413	3.646	40	0		DHABRO
c1cc([C@@H]2CCCCN2Cc2cnc(-c3ccccc3)nc2)n[nH]1	ZINC000257220533	563790496	/nfs/dbraw/zinc/79/04/96/563790496.db2.gz	DLDHFSAJBRIZLH-SFHVURJKSA-N	1	0	319.412	3.594	40	0		DHABRO
CC(=O)NCc1cccc([C@@H]2CCC[N@@H+]2C2CCCCCC2)n1	ZINC000257213913	563791010	/nfs/dbraw/zinc/79/10/10/563791010.db2.gz	CJRBSINFCOAXBW-IBGZPJMESA-N	1	0	315.461	3.577	40	0		DHABRO
Cc1csc(-c2cc(C3CC[NH+](C(C)C)CC3)nc(C)n2)n1	ZINC000257227795	563791037	/nfs/dbraw/zinc/79/10/37/563791037.db2.gz	FQXSVWKSMKVCFS-UHFFFAOYSA-N	1	0	316.474	3.805	40	0		DHABRO
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(Cl)cc3F)C2)n1	ZINC000257232654	563791677	/nfs/dbraw/zinc/79/16/77/563791677.db2.gz	GLVWGNHKYJGHKU-ZDUSSCGKSA-N	1	0	307.800	3.511	40	0		DHABRO
Cc1nccc([C@@H]2CCC[N@@H+]2Cc2ccccc2N2CCCC2)n1	ZINC000257258713	563792329	/nfs/dbraw/zinc/79/23/29/563792329.db2.gz	KVEZHKZGIDCTKL-FQEVSTJZSA-N	1	0	322.456	3.722	40	0		DHABRO
CC[C@@H](C)Nc1cc(N2Cc3ccccc3C[C@@H]2C)nc(C)[nH+]1	ZINC000329025752	563833655	/nfs/dbraw/zinc/83/36/55/563833655.db2.gz	PIOGSKHQXZAQKT-KGLIPLIRSA-N	1	0	310.445	3.947	40	0		DHABRO
O=C(C[NH2+]C1CCCCC1)NC(c1ccccc1)c1ccccc1	ZINC000035311551	563863501	/nfs/dbraw/zinc/86/35/01/563863501.db2.gz	ZHAJWOSUBICKOH-UHFFFAOYSA-N	1	0	322.452	3.815	40	0		DHABRO
Cc1cc(C)c(OC[C@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)c(C)c1	ZINC000026781065	563873519	/nfs/dbraw/zinc/87/35/19/563873519.db2.gz	XSNHSRSRUZLJLL-OKZBNKHCSA-N	1	0	305.462	3.614	40	0		DHABRO
C[C@H](CN1c2ccccc2Sc2ccccc21)[N@H+](C)CCO	ZINC000001667887	563895460	/nfs/dbraw/zinc/89/54/60/563895460.db2.gz	OVBCYALNGQQYRZ-CQSZACIVSA-N	1	0	314.454	3.602	40	0		DHABRO
COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(Cl)cc3)c2c1	ZINC000409418983	568416372	/nfs/dbraw/zinc/41/63/72/568416372.db2.gz	JNZJYARHCAUAJD-QGZVFWFLSA-N	1	0	314.816	3.875	40	0		DHABRO
c1cn(CCC[N@@H+](Cc2ccncc2)C[C@H]2CC=CCC2)cn1	ZINC000013991184	1022009635	/nfs/dbraw/zinc/00/96/35/1022009635.db2.gz	GDXZNXRJJUYZGU-SFHVURJKSA-N	1	0	310.445	3.527	40	0		DHABRO
C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000072203934	191075914	/nfs/dbraw/zinc/07/59/14/191075914.db2.gz	AZUVUIZQXCYECR-LSDHHAIUSA-N	1	0	319.449	3.522	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccc(F)cc1	ZINC000225581404	186280003	/nfs/dbraw/zinc/28/00/03/186280003.db2.gz	JSSSMYSLNVRCOC-INIZCTEOSA-N	1	0	323.481	3.767	40	0		DHABRO
Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccoc2)n1	ZINC000072366759	191137790	/nfs/dbraw/zinc/13/77/90/191137790.db2.gz	YQNWKGXHOWXDQO-QGZVFWFLSA-N	1	0	308.385	3.506	40	0		DHABRO
Fc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)c1	ZINC000072395173	191149682	/nfs/dbraw/zinc/14/96/82/191149682.db2.gz	NBGOPWPPPRZBAT-RBUKOAKNSA-N	1	0	321.399	3.932	40	0		DHABRO
Cc1cc(C)c(C)c(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1	ZINC000004305130	181094887	/nfs/dbraw/zinc/09/48/87/181094887.db2.gz	OVTQEYBWPTYCTQ-SOLBZPMBSA-N	1	0	305.462	3.614	40	0		DHABRO
C[NH+]1CCC(CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000074921073	191388660	/nfs/dbraw/zinc/38/86/60/191388660.db2.gz	ZRTLCHIILFKWHB-UHFFFAOYSA-N	1	0	301.217	3.664	40	0		DHABRO
C[NH+]1CCC(CC(=O)Nc2cc(Cl)ccc2Cl)CC1	ZINC000074921075	191388693	/nfs/dbraw/zinc/38/86/93/191388693.db2.gz	ZDUHHIAQLPZAKW-UHFFFAOYSA-N	1	0	301.217	3.664	40	0		DHABRO
C[C@H]1CCC[C@H](C)[NH+]1C[C@H](O)COc1ccc2ccccc2c1	ZINC000005529258	181253978	/nfs/dbraw/zinc/25/39/78/181253978.db2.gz	NXCMPCZBKQUWRK-BXWFABGCSA-N	1	0	313.441	3.842	40	0		DHABRO
CC[C@H](C)[N@H+](CC)CCNc1cc(OC)cc2cccnc21	ZINC000005846370	181289418	/nfs/dbraw/zinc/28/94/18/181289418.db2.gz	REHJMUQQXLLGHV-AWEZNQCLSA-N	1	0	301.434	3.776	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000006007750	181305673	/nfs/dbraw/zinc/30/56/73/181305673.db2.gz	GNUQLAUHEYANBI-BRWVUGGUSA-N	1	0	305.462	3.528	40	0		DHABRO
Cc1cn(C)c([C@H]2CCC[N@@H+]2Cc2cccc3cccnc32)n1	ZINC000257296995	203020474	/nfs/dbraw/zinc/02/04/74/203020474.db2.gz	RFHVQPLAOYYWRW-QGZVFWFLSA-N	1	0	306.413	3.614	40	0		DHABRO
Cc1nc(-c2cc(C[C@H]3CCC[N@@H+](C)C3)ccn2)sc1C	ZINC000257279920	203008878	/nfs/dbraw/zinc/00/88/78/203008878.db2.gz	OISMIOXNLLWWAW-OAHLLOKOSA-N	1	0	301.459	3.706	40	0		DHABRO
Cc1csc(-c2cc(C)nc([C@@H]3CCC[N@@H+](C(C)C)C3)n2)n1	ZINC000257332368	203055134	/nfs/dbraw/zinc/05/51/34/203055134.db2.gz	XWZARYMOXQQPLU-CQSZACIVSA-N	1	0	316.474	3.805	40	0		DHABRO
CCOc1c(Br)cc(C[NH2+][C@@H](C)CC)cc1OC	ZINC000008326634	181548186	/nfs/dbraw/zinc/54/81/86/181548186.db2.gz	FCJSECIANIXELN-JTQLQIEISA-N	1	0	316.239	3.745	40	0		DHABRO
CCOc1ccc(C[N@@H+]2CCCCC[C@H]2c2ccn(C)n2)cc1	ZINC000012275818	181745336	/nfs/dbraw/zinc/74/53/36/181745336.db2.gz	DGYYNZMRWACISA-IBGZPJMESA-N	1	0	313.445	3.936	40	0		DHABRO
CC(C)(C)c1noc([C@H]2CC[N@H+](Cc3cccc(F)c3F)C2)n1	ZINC000019084637	182104250	/nfs/dbraw/zinc/10/42/50/182104250.db2.gz	DVIRLVJQLUVQKQ-LBPRGKRZSA-N	1	0	321.371	3.635	40	0		DHABRO
CCCCc1ncc(C[NH2+][C@@H](C)c2ccc(OC)c(F)c2)cn1	ZINC000019502375	182126481	/nfs/dbraw/zinc/12/64/81/182126481.db2.gz	GJQDHAFXNLKQPA-ZDUSSCGKSA-N	1	0	317.408	3.818	40	0		DHABRO
COc1cccc(Cn2c([C@@H]3CCC[NH2+]C3)cc3cccnc32)c1	ZINC000019565724	182130200	/nfs/dbraw/zinc/13/02/00/182130200.db2.gz	UQVXEDOCGSTDLK-QGZVFWFLSA-N	1	0	321.424	3.560	40	0		DHABRO
C[N@@H+]1CCC[C@@H]1c1cc2cccnc2n1Cc1ccc(F)cc1	ZINC000019588703	182132342	/nfs/dbraw/zinc/13/23/42/182132342.db2.gz	JUESPYYZNLGUEB-QGZVFWFLSA-N	1	0	309.388	3.990	40	0		DHABRO
Cc1cc(C)c(C)c(OC[C@@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c1	ZINC000004346945	335021012	/nfs/dbraw/zinc/02/10/12/335021012.db2.gz	OVTQEYBWPTYCTQ-JZXOWHBKSA-N	1	0	305.462	3.614	40	0		DHABRO
CCCCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000022533098	182325920	/nfs/dbraw/zinc/32/59/20/182325920.db2.gz	CZSFJZJLWQOKJS-MRXNPFEDSA-N	1	0	302.462	3.839	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)Nc3cccnc3)cc2)CC1	ZINC000038849761	183011047	/nfs/dbraw/zinc/01/10/47/183011047.db2.gz	QVFAHTFEMARPRP-UHFFFAOYSA-N	1	0	309.413	3.566	40	0		DHABRO
O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038849217	183011281	/nfs/dbraw/zinc/01/12/81/183011281.db2.gz	SCBQQUWCBLSALZ-MRXNPFEDSA-N	1	0	312.388	3.676	40	0		DHABRO
Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038833273	183011466	/nfs/dbraw/zinc/01/14/66/183011466.db2.gz	NAHDNFBEBFXOEC-GOSISDBHSA-N	1	0	308.425	3.846	40	0		DHABRO
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCCC1	ZINC000039789202	183021421	/nfs/dbraw/zinc/02/14/21/183021421.db2.gz	HOPXZCVDKWEDPB-HXUWFJFHSA-N	1	0	310.441	3.751	40	0		DHABRO
CCOP(=O)(OCC)[C@]1(CCc2ccccc2)CCC[NH2+]1	ZINC000065740225	184378434	/nfs/dbraw/zinc/37/84/34/184378434.db2.gz	CXXMSYDQTYFTPW-INIZCTEOSA-N	1	0	311.362	3.965	40	0	in-vitro	DHABRO
CC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1	ZINC000155391470	197050880	/nfs/dbraw/zinc/05/08/80/197050880.db2.gz	XTPMUGYXDRYYNX-UHFFFAOYSA-N	1	0	304.434	3.536	40	0		DHABRO
Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)c1	ZINC000224646509	256594750	/nfs/dbraw/zinc/59/47/50/256594750.db2.gz	PMEZGIMGIDGSAJ-UHFFFAOYSA-N	1	0	322.452	3.911	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1	ZINC000072214632	257126109	/nfs/dbraw/zinc/12/61/09/257126109.db2.gz	VWRTVOACLNMJMR-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2C)cn1	ZINC000072214664	257126323	/nfs/dbraw/zinc/12/63/23/257126323.db2.gz	KKONAWZIRIQULN-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCC[NH2+]2)cn1)C1CC1	ZINC000072215334	257126717	/nfs/dbraw/zinc/12/67/17/257126717.db2.gz	AOQUQDNUUBTKBP-HNNXBMFYSA-N	1	0	317.433	3.800	40	0		DHABRO
C[NH2+][C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000072207697	257127921	/nfs/dbraw/zinc/12/79/21/257127921.db2.gz	PXDBZPAFECMRLS-CVEARBPZSA-N	1	0	304.434	3.594	40	0		DHABRO
C[NH2+][C@H](c1ccccc1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000072207694	257128383	/nfs/dbraw/zinc/12/83/83/257128383.db2.gz	PXDBZPAFECMRLS-JKSUJKDBSA-N	1	0	304.434	3.594	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2cccc(C)c2)CC1	ZINC000039751114	257217542	/nfs/dbraw/zinc/21/75/42/257217542.db2.gz	YXDGXLIQTZSSCS-UHFFFAOYSA-N	1	0	302.462	3.513	40	0		DHABRO
C[NH2+][C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1	ZINC000242687881	337470791	/nfs/dbraw/zinc/47/07/91/337470791.db2.gz	UZBZYGMPXCBOKP-QAQDUYKDSA-N	1	0	304.434	3.564	40	0		DHABRO
COCCC[NH2+]Cc1cc(C)n([C@@H](C)c2ccccc2)c1C	ZINC000223677952	563735031	/nfs/dbraw/zinc/73/50/31/563735031.db2.gz	AOEMURIIBAFQIS-INIZCTEOSA-N	1	0	300.446	3.840	40	0		DHABRO
C[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@H](C)O1	ZINC000575421942	563857002	/nfs/dbraw/zinc/85/70/02/563857002.db2.gz	DDYRRJSHTGELEI-CQJJVWNLSA-N	1	0	324.262	3.662	40	0		DHABRO
CCCCNc1ccc(C(=O)OCC[NH2+]C2CCCCC2)cc1	ZINC000001710561	563292426	/nfs/dbraw/zinc/29/24/26/563292426.db2.gz	CKMKAFPCRJZBNU-UHFFFAOYSA-N	1	0	318.461	3.978	40	0		DHABRO
CC[C@@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1	ZINC000001710543	563292538	/nfs/dbraw/zinc/29/25/38/563292538.db2.gz	GOVLDUBOOKNYLA-MRXNPFEDSA-N	1	0	311.425	3.750	40	0		DHABRO
Cc1cccc(C(=O)OCc2ccccc2C[NH+]2CCCC2)c1	ZINC000001716173	563293404	/nfs/dbraw/zinc/29/34/04/563293404.db2.gz	RPPCGZNSPGLMFA-UHFFFAOYSA-N	1	0	309.409	3.948	40	0		DHABRO
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCCC1	ZINC000007447544	563338659	/nfs/dbraw/zinc/33/86/59/563338659.db2.gz	ZGSWSVNZEBNCBD-UHFFFAOYSA-N	1	0	314.473	3.869	40	0		DHABRO
Cc1ccc2c(c1)CNC[C@@]1(CCC[N@H+](Cc3ccccc3)C1)O2	ZINC000012122995	563362582	/nfs/dbraw/zinc/36/25/82/563362582.db2.gz	CLTJTUMRSISCCL-OAQYLSRUSA-N	1	0	322.452	3.512	40	0		DHABRO
Clc1cccc(-c2cc3nccc([C@@H]4CCC[NH2+]C4)n3n2)c1	ZINC000012154366	563362941	/nfs/dbraw/zinc/36/29/41/563362941.db2.gz	HOKZETJYGJCZNO-CYBMUJFWSA-N	1	0	312.804	3.517	40	0		DHABRO
COc1ccc(-c2cc([C@H]3CCCCC[NH2+]3)no2)cc1OC	ZINC000012185180	563364186	/nfs/dbraw/zinc/36/41/86/563364186.db2.gz	AFLZUZCWHDNRIU-CYBMUJFWSA-N	1	0	302.374	3.564	40	0		DHABRO
c1ccc(C[NH+]2CCC(c3noc(-c4ccccn4)n3)CC2)cc1	ZINC000012668390	563372202	/nfs/dbraw/zinc/37/22/02/563372202.db2.gz	HOGAHOGKDMTKKM-UHFFFAOYSA-N	1	0	320.396	3.511	40	0		DHABRO
C[N@@H+]1CC[C@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1	ZINC000072341604	563503756	/nfs/dbraw/zinc/50/37/56/563503756.db2.gz	MSHNPNGYEYSRMB-HKUYNNGSSA-N	1	0	314.860	3.918	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1cccs1)CC2	ZINC000585105418	563516861	/nfs/dbraw/zinc/51/68/61/563516861.db2.gz	WIBDREZXBBEBKB-HNNXBMFYSA-N	1	0	309.475	3.546	40	0		DHABRO
CCOCC[C@@H]1CCOC12CC[NH+](Cc1ccc(F)cc1)CC2	ZINC000585104160	563517033	/nfs/dbraw/zinc/51/70/33/563517033.db2.gz	GLVUSILFOSUBBR-QGZVFWFLSA-N	1	0	321.436	3.623	40	0		DHABRO
CC(C)C[N@@H+]1CCC[C@]2(CCC(=O)N2Cc2ccccc2)CC1	ZINC000585100249	563517141	/nfs/dbraw/zinc/51/71/41/563517141.db2.gz	IWIAODLQJSTYHU-FQEVSTJZSA-N	1	0	314.473	3.690	40	0		DHABRO
C[NH2+][C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C(C)C)CC1	ZINC000100178463	563527751	/nfs/dbraw/zinc/52/77/51/563527751.db2.gz	UZBZYGMPXCBOKP-CALCHBBNSA-N	1	0	304.434	3.564	40	0		DHABRO
CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccncc2)[C@H]1Cc1ccccc1	ZINC000096061668	563532139	/nfs/dbraw/zinc/53/21/39/563532139.db2.gz	LANNBHRMKANERX-RTWAWAEBSA-N	1	0	323.484	3.607	40	0		DHABRO
FC1(F)CC[N@H+](CC2CC2)C[C@]12CCN(c1ccccc1)C2	ZINC000096051117	563532262	/nfs/dbraw/zinc/53/22/62/563532262.db2.gz	CEEOSAWUYNNOJU-KRWDZBQOSA-N	1	0	306.400	3.634	40	0		DHABRO
CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@H]12	ZINC000096058413	563532485	/nfs/dbraw/zinc/53/24/85/563532485.db2.gz	AXBXJEBMMWIAMQ-OALUTQOASA-N	1	0	312.482	3.596	40	0		DHABRO
c1csc([C@H]2C[C@@H]3CC[N@@H+](CCc4ccccc4)C[C@H]3O2)n1	ZINC000096046052	563532514	/nfs/dbraw/zinc/53/25/14/563532514.db2.gz	NKUYKADTKZPLDH-GVDBMIGSSA-N	1	0	314.454	3.538	40	0		DHABRO
COC[C@H]1COCCC12CC[NH+](Cc1ccccc1Cl)CC2	ZINC000096106327	563533058	/nfs/dbraw/zinc/53/30/58/563533058.db2.gz	DUJXOAQVUZSHNP-INIZCTEOSA-N	1	0	323.864	3.605	40	0		DHABRO
COC[C@@H]1COCCC12CC[NH+](Cc1cccc(Cl)c1)CC2	ZINC000096106318	563533325	/nfs/dbraw/zinc/53/33/25/563533325.db2.gz	WYBABUBKWPQQPD-MRXNPFEDSA-N	1	0	323.864	3.605	40	0		DHABRO
c1ccc([C@H]2CO[C@]3(C2)CCC[N@@H+](Cc2ccncc2)C3)cc1	ZINC000096073460	563533462	/nfs/dbraw/zinc/53/34/62/563533462.db2.gz	QJMNXUCVMXNXRP-UXHICEINSA-N	1	0	308.425	3.620	40	0		DHABRO
Cc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4ccccc4)C3)C2)n1	ZINC000096216156	563535506	/nfs/dbraw/zinc/53/55/06/563535506.db2.gz	VNIQHNWPWJGHLI-NRFANRHFSA-N	1	0	321.468	3.883	40	0		DHABRO
OC1(COc2cccc(Cl)c2)CC[NH+](C2CCCCC2)CC1	ZINC000585281223	563541939	/nfs/dbraw/zinc/54/19/39/563541939.db2.gz	HGBQOZGFTNNBDN-UHFFFAOYSA-N	1	0	323.864	3.878	40	0		DHABRO
COc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000000514873	563630408	/nfs/dbraw/zinc/63/04/08/563630408.db2.gz	FBFTVSYPWRBBAM-UHFFFAOYSA-N	1	0	310.397	3.543	40	0		DHABRO
CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000006883129	563639166	/nfs/dbraw/zinc/63/91/66/563639166.db2.gz	DRAKOFLLHGKNSL-UHFFFAOYSA-N	1	0	319.832	3.780	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@@H]1C	ZINC000008731555	563644305	/nfs/dbraw/zinc/64/43/05/563644305.db2.gz	WCRUZAIOHJLYKG-HNNXBMFYSA-N	1	0	305.418	3.541	40	0		DHABRO
C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)c1ccccc1	ZINC000010338522	563674079	/nfs/dbraw/zinc/67/40/79/563674079.db2.gz	GHXWMZNUCJBRSY-MRXNPFEDSA-N	1	0	308.425	3.773	40	0		DHABRO
c1ccc(Cc2nnc([C@H]3CC[N@@H+](Cc4ccccc4)C3)o2)cc1	ZINC000049169804	563700750	/nfs/dbraw/zinc/70/07/50/563700750.db2.gz	QYTIFHOYAYBVEC-SFHVURJKSA-N	1	0	319.408	3.650	40	0	biogenic,in-vitro	DHABRO
COc1cc(C=O)ccc1OCCCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217797597	563714800	/nfs/dbraw/zinc/71/48/00/563714800.db2.gz	KUIVQBHRCSDPJN-IYBDPMFKSA-N	1	0	319.445	3.930	40	0		DHABRO
CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1O[C@H](C)CC	ZINC000225158233	563749819	/nfs/dbraw/zinc/74/98/19/563749819.db2.gz	XZPVYASBZRPMPA-ZBFHGGJFSA-N	1	0	307.434	3.531	40	0		DHABRO
Cc1cn(C)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1	ZINC000257210992	563789579	/nfs/dbraw/zinc/78/95/79/563789579.db2.gz	BXAMKAIQOGAYRC-GOSISDBHSA-N	1	0	306.413	3.614	40	0		DHABRO
Cc1ncc(-c2nccnc2C[C@@H]2CCC[N@@H+](C(C)C)C2)s1	ZINC000257238446	563791824	/nfs/dbraw/zinc/79/18/24/563791824.db2.gz	HLABWDQUBHDMAY-AWEZNQCLSA-N	1	0	316.474	3.571	40	0		DHABRO
Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)c(C(C)(C)C)c1	ZINC000026781083	563795427	/nfs/dbraw/zinc/79/54/27/563795427.db2.gz	VJCMXUCBOXMTLY-MRXNPFEDSA-N	1	0	305.462	3.518	40	0		DHABRO
CC[N@@H+]1CCC[C@H](OC(=O)C(c2ccccc2)c2ccccc2)C1	ZINC000000057476	563820234	/nfs/dbraw/zinc/82/02/34/563820234.db2.gz	KTHVBAZBLKXIHZ-IBGZPJMESA-N	1	0	323.436	3.846	40	0	in-man	DHABRO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[NH+](C(C)C)C(C)C	ZINC000035052956	563857913	/nfs/dbraw/zinc/85/79/13/563857913.db2.gz	FVWVHROWEIKEIH-ZSYWTGECSA-N	1	0	313.526	3.944	40	0		DHABRO
COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccsc4)C3)nc2c1	ZINC000035446791	563867094	/nfs/dbraw/zinc/86/70/94/563867094.db2.gz	WZQWBCNJOZGIKV-ZDUSSCGKSA-N	1	0	313.426	3.623	40	0	biogenic,in-vitro	DHABRO
COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccc4)C3)nc2c1	ZINC000035446733	563867256	/nfs/dbraw/zinc/86/72/56/563867256.db2.gz	BTGCGONYSZJCQH-HNNXBMFYSA-N	1	0	307.397	3.561	40	0	biogenic,in-vitro	DHABRO
Cc1ccc(C)c(NC(=S)NCCC[N@H+]2CCC[C@H](C)C2)c1	ZINC000044080836	563923090	/nfs/dbraw/zinc/92/30/90/563923090.db2.gz	KTEUWZDFLMRPAA-HNNXBMFYSA-N	1	0	319.518	3.712	40	0		DHABRO
CC[C@H](C)Oc1c(C)cc(-c2noc([C@@H]3CCC[NH2+]3)n2)cc1C	ZINC000095095424	563930998	/nfs/dbraw/zinc/93/09/98/563930998.db2.gz	WACWLENGESNBKY-ZFWWWQNUSA-N	1	0	315.417	3.955	40	0		DHABRO
CC[C@H](C)Nc1nc(N2CCc3ccccc3C2)cc(C(C)C)[nH+]1	ZINC000329016484	563960265	/nfs/dbraw/zinc/96/02/65/563960265.db2.gz	NHIGIAVEYZHRKK-HNNXBMFYSA-N	1	0	324.472	4.373	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@H]2C)nc(N[C@@H](C)CC)[nH+]1	ZINC000328998060	563960287	/nfs/dbraw/zinc/96/02/87/563960287.db2.gz	JRWBASWHQCPSEN-LSDHHAIUSA-N	1	0	324.472	4.201	40	0		DHABRO
O=C(c1ccc(Cl)cc1)c1cccc[n+]1Cc1ccccc1	ZINC000001564581	568412298	/nfs/dbraw/zinc/41/22/98/568412298.db2.gz	UZEIOPFWUCCQSH-UHFFFAOYSA-N	1	0	308.788	3.907	40	0		DHABRO
Cn1cc(C[NH2+]Cc2ccc(F)s2)c(-c2ccccc2)n1	ZINC000256049856	1024640750	/nfs/dbraw/zinc/64/07/50/1024640750.db2.gz	BTCJHPTVGIARDV-UHFFFAOYSA-N	1	0	301.390	3.578	40	0		DHABRO
CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)cc1Cl)C(C)C	ZINC000079420394	185171014	/nfs/dbraw/zinc/17/10/14/185171014.db2.gz	DIVCHQAEDONGEO-AWEZNQCLSA-N	1	0	317.260	3.714	40	0		DHABRO
C[n+]1ccc(-c2nc3ccc(Br)cc3s2)cc1	ZINC000226776459	201788175	/nfs/dbraw/zinc/78/81/75/201788175.db2.gz	VGQFLQAVGXVNEP-UHFFFAOYSA-N	1	0	306.208	3.550	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C)c(C)cc1C	ZINC000225649534	186286652	/nfs/dbraw/zinc/28/66/52/186286652.db2.gz	LVOXJBJYEWXTCH-GOSISDBHSA-N	1	0	316.489	3.996	40	0		DHABRO
CCN(C(=O)c1cc([C@H]2CCC[N@@H+]2C)ccn1)C1CCCCC1	ZINC000072369302	191139126	/nfs/dbraw/zinc/13/91/26/191139126.db2.gz	ZJPQKAYSDCIBAN-GOSISDBHSA-N	1	0	315.461	3.643	40	0		DHABRO
CCN(C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1)C1CCCCC1	ZINC000072369301	191138965	/nfs/dbraw/zinc/13/89/65/191138965.db2.gz	ZJPQKAYSDCIBAN-SFHVURJKSA-N	1	0	315.461	3.643	40	0		DHABRO
c1cn(-c2cccc([C@@H]3CCC[N@@H+](Cc4ccccc4)C3)n2)cn1	ZINC000072378658	191140284	/nfs/dbraw/zinc/14/02/84/191140284.db2.gz	ARYAAYBLDYTALS-GOSISDBHSA-N	1	0	318.424	3.647	40	0		DHABRO
Cc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000072378668	191141527	/nfs/dbraw/zinc/14/15/27/191141527.db2.gz	RYMWCKNZBJALRO-IBGZPJMESA-N	1	0	318.424	3.913	40	0		DHABRO
Cc1ccnc([C@]2(C)CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1	ZINC000072388527	191146240	/nfs/dbraw/zinc/14/62/40/191146240.db2.gz	YLVCMDUYPFMMHV-IBGZPJMESA-N	1	0	306.413	3.778	40	0		DHABRO
C[C@H]([NH2+]CCCSc1ccccc1)[C@@H](O)c1ccc(O)cc1	ZINC000001565066	180873296	/nfs/dbraw/zinc/87/32/96/180873296.db2.gz	KNPDZXNZIJNVNH-KBXCAEBGSA-N	1	0	317.454	3.586	40	0		DHABRO
COc1cc2cccnc2c(NCCCCCC[NH+](C)C)c1	ZINC000001687509	180887932	/nfs/dbraw/zinc/88/79/32/180887932.db2.gz	DEURLLRBZUOSMM-UHFFFAOYSA-N	1	0	301.434	3.777	40	0		DHABRO
CCC(=O)O[C@@]1(Cc2ccc(CC)cc2)C[C@@H](C)[N@H+](C)C[C@@H]1C	ZINC000004474251	181111474	/nfs/dbraw/zinc/11/14/74/181111474.db2.gz	KOYICGYXDCTHSW-RZQQEMMASA-N	1	0	317.473	3.844	40	0		DHABRO
CCCc1ccc(OC[C@@H](O)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1	ZINC000005258744	181222810	/nfs/dbraw/zinc/22/28/10/181222810.db2.gz	ZSUACPZCTXTOEL-BQFCYCMXSA-N	1	0	305.462	3.642	40	0		DHABRO
COc1ccc(OC[C@@H]2C[N@H+](C)CC[C@@H]2c2ccccc2)cc1	ZINC000005573204	181259106	/nfs/dbraw/zinc/25/91/06/181259106.db2.gz	OJSFTALXCYKKFQ-FXAWDEMLSA-N	1	0	311.425	3.810	40	0	in-vitro	DHABRO
C[C@H]1CCC[N@H+](C[C@H](O)COC2CCC(C(C)(C)C)CC2)C1	ZINC000005723346	181277160	/nfs/dbraw/zinc/27/71/60/181277160.db2.gz	OHQWOUQOOHHSLW-NALMEZQBSA-N	1	0	311.510	3.701	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(F)cc2)C1	ZINC000089212732	192741995	/nfs/dbraw/zinc/74/19/95/192741995.db2.gz	OMPXSJRMAWRCRP-HNNXBMFYSA-N	1	0	322.424	3.562	40	0		DHABRO
CC(C)[NH2+]C[C@@H](C)OC(=O)C(c1ccccc1)c1ccccc1	ZINC000005962940	181301363	/nfs/dbraw/zinc/30/13/63/181301363.db2.gz	WOXWPVLZRSXBLC-MRXNPFEDSA-N	1	0	311.425	3.748	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000006007648	181305451	/nfs/dbraw/zinc/30/54/51/181305451.db2.gz	FXMYFPOBYHRDNB-IXDOHACOSA-N	1	0	305.462	3.813	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000006356062	181333756	/nfs/dbraw/zinc/33/37/56/181333756.db2.gz	JHQZQXQDMVUSSM-ULQDDVLXSA-N	1	0	305.462	3.672	40	0		DHABRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000195464844	201393161	/nfs/dbraw/zinc/39/31/61/201393161.db2.gz	OFOBTUQSDUZIBP-AWEZNQCLSA-N	1	0	322.880	3.713	40	0		DHABRO
Cc1c[nH]c([C@@H]2CC[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C2)n1	ZINC000257272603	203001887	/nfs/dbraw/zinc/00/18/87/203001887.db2.gz	NDASRKKRNNVFLP-CYBMUJFWSA-N	1	0	312.392	3.636	40	0		DHABRO
Cc1c2cc(F)ccc2[nH]c1C[NH+]1CCC(c2cnccn2)CC1	ZINC000257323949	203047696	/nfs/dbraw/zinc/04/76/96/203047696.db2.gz	WMNXJRDSUYUUOG-UHFFFAOYSA-N	1	0	324.403	3.785	40	0		DHABRO
CCCn1nccc1-c1cccc(C[C@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000257337143	203058892	/nfs/dbraw/zinc/05/88/92/203058892.db2.gz	YROODDGMWSXDGT-MRXNPFEDSA-N	1	0	312.461	3.628	40	0		DHABRO
C[NH2+][C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000095858017	193448645	/nfs/dbraw/zinc/44/86/45/193448645.db2.gz	LXUIGQVHABEBDW-RVFGVNAFSA-N	1	0	305.506	3.978	40	0		DHABRO
Cc1ccc(C[N@@H+]2CCN(CC3CC3)c3ncccc3C2)s1	ZINC000096060973	193513002	/nfs/dbraw/zinc/51/30/02/193513002.db2.gz	MDCNJKFBUCAMAH-UHFFFAOYSA-N	1	0	313.470	3.684	40	0		DHABRO
CCOC[C@@H]1COCCC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096106392	193539438	/nfs/dbraw/zinc/53/94/38/193539438.db2.gz	PVRATHAPZBCMPG-MRXNPFEDSA-N	1	0	323.502	3.712	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)c(C)c1	ZINC000018168925	182095844	/nfs/dbraw/zinc/09/58/44/182095844.db2.gz	AATHUTIYLGLDQK-UHFFFAOYSA-N	1	0	319.518	3.712	40	0		DHABRO
Cc1cnc2cc(C3CC[NH+](Cc4ccc(F)cc4)CC3)[nH]c2n1	ZINC000019239391	182111273	/nfs/dbraw/zinc/11/12/73/182111273.db2.gz	ALWKEXZBHHXTJU-UHFFFAOYSA-N	1	0	324.403	3.785	40	0		DHABRO
COc1cccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2)c1	ZINC000019565998	182129943	/nfs/dbraw/zinc/12/99/43/182129943.db2.gz	BBTRJBRIOVGVLB-SQGPQFPESA-N	1	0	324.424	3.522	40	0		DHABRO
COc1cccc(C[N@@H+]2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1	ZINC000019565159	182130329	/nfs/dbraw/zinc/13/03/29/182130329.db2.gz	PKEIYCPMEZLRHG-KRWDZBQOSA-N	1	0	321.424	3.951	40	0		DHABRO
Cc1cc(=O)cc(C2CC[NH+](Cc3ccc(F)cc3)CC2)[nH]1	ZINC000019570415	182131130	/nfs/dbraw/zinc/13/11/30/182131130.db2.gz	SHAGEPCJBKKSQB-UHFFFAOYSA-N	1	0	300.377	3.614	40	0		DHABRO
CN(CCc1ccc(Cl)c(Cl)c1)CC[NH+]1CCCC1	ZINC000022441678	182321704	/nfs/dbraw/zinc/32/17/04/182321704.db2.gz	ASGIQUHBAVIOTI-UHFFFAOYSA-N	1	0	301.261	3.564	40	0	in-vitro	DHABRO
CCN(CC)C[C@H](CN(CC(C)C)CC(C)C)[NH2+]CC(C)C	ZINC000022859800	182337797	/nfs/dbraw/zinc/33/77/97/182337797.db2.gz	GNOXJLFBYFFUMU-LJQANCHMSA-N	1	0	313.574	3.556	40	0		DHABRO
COc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038835060	183011513	/nfs/dbraw/zinc/01/15/13/183011513.db2.gz	UIWJFMRYTWLCSC-QGZVFWFLSA-N	1	0	324.424	3.546	40	0		DHABRO
CCCCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000038858955	183012118	/nfs/dbraw/zinc/01/21/18/183012118.db2.gz	MOBVJNBFVYRSHE-UHFFFAOYSA-N	1	0	302.462	3.839	40	0		DHABRO
CCc1ccc(NC(=S)NCCC[NH+]2CCCCCC2)cc1	ZINC000061247042	184166563	/nfs/dbraw/zinc/16/65/63/184166563.db2.gz	ARENNJWBHAYNNR-UHFFFAOYSA-N	1	0	319.518	3.802	40	0		DHABRO
Cc1cc(C)c(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c(C)c1	ZINC000006008551	257233831	/nfs/dbraw/zinc/23/38/31/257233831.db2.gz	XSNHSRSRUZLJLL-KZNAEPCWSA-N	1	0	305.462	3.614	40	0		DHABRO
O=C(c1ccccc1)[C@H]1CCC[C@H](C[C@@H](O)c2ccccc2)[NH2+]1	ZINC000071775438	184840269	/nfs/dbraw/zinc/84/02/69/184840269.db2.gz	CNWKJIFYKGLTLI-GUDVDZBRSA-N	1	0	309.409	3.504	40	0		DHABRO
Cc1ccccc1C[NH+]1CCC(C(=O)NCc2ccccc2)CC1	ZINC000011469465	525135053	/nfs/dbraw/zinc/13/50/53/525135053.db2.gz	DLZFLNIIJBHHIQ-UHFFFAOYSA-N	1	0	322.452	3.523	40	0		DHABRO
CC(C)[NH+]1CCN(c2cnn3ccc(-c4ccccc4)cc23)CC1	ZINC000306144154	529045238	/nfs/dbraw/zinc/04/52/38/529045238.db2.gz	YXWHRJUBQYKDBD-UHFFFAOYSA-N	1	0	320.440	3.532	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCOc1ccc(C=O)cc1OC	ZINC000008731538	563644132	/nfs/dbraw/zinc/64/41/32/563644132.db2.gz	PKHPFDVZODZGIE-INIZCTEOSA-N	1	0	305.418	3.541	40	0		DHABRO
CCOc1cc(C[NH2+]C[C@@H]2CCCO2)ccc1O[C@@H](C)CC	ZINC000225158157	563749590	/nfs/dbraw/zinc/74/95/90/563749590.db2.gz	XZPVYASBZRPMPA-HOCLYGCPSA-N	1	0	307.434	3.531	40	0		DHABRO
C[NH+](C)Cc1cccc(C(F)(F)F)c1[C@H](O)c1ccccc1	ZINC000001662365	563289819	/nfs/dbraw/zinc/28/98/19/563289819.db2.gz	VIIGQOVLVXXHSL-MRXNPFEDSA-N	1	0	309.331	3.849	40	0		DHABRO
CC[NH+](CC)CCC[C@@H](C)Nc1cc(O)cc2cccnc21	ZINC000001685570	563291401	/nfs/dbraw/zinc/29/14/01/563291401.db2.gz	XVRGMUYTMLBHEJ-CQSZACIVSA-N	1	0	301.434	3.863	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[NH+]1CCC(C)CC1	ZINC000002694416	563312007	/nfs/dbraw/zinc/31/20/07/563312007.db2.gz	ZGDNITHMLAZCBL-DLBZAZTESA-N	1	0	305.462	3.672	40	0		DHABRO
CC(C)(CO)[NH2+]Cc1cccc(OCc2ccccc2Cl)c1	ZINC000006883170	563334619	/nfs/dbraw/zinc/33/46/19/563334619.db2.gz	RTAADYPCXKZXQI-UHFFFAOYSA-N	1	0	319.832	3.780	40	0		DHABRO
C[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F	ZINC000008535071	563347244	/nfs/dbraw/zinc/34/72/44/563347244.db2.gz	KPOOIBQZDBRICH-GFCCVEGCSA-N	1	0	323.795	3.529	40	0		DHABRO
COc1cccc(OC[C@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2ccccn2)c1	ZINC000012085290	563361570	/nfs/dbraw/zinc/36/15/70/563361570.db2.gz	YBKLQPLDFPGHIL-SYNHAJSKSA-N	1	0	324.424	3.522	40	0		DHABRO
Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1cccc2cccnc21	ZINC000012186459	563363848	/nfs/dbraw/zinc/36/38/48/563363848.db2.gz	WPKKFFLMEUMDPA-APWZRJJASA-N	1	0	316.408	3.595	40	0		DHABRO
Cc1ccsc1C[NH+]1CCC(c2[nH]nc3ncccc32)CC1	ZINC000012221599	563364941	/nfs/dbraw/zinc/36/49/41/563364941.db2.gz	NHOYTBPVBIPSER-UHFFFAOYSA-N	1	0	312.442	3.707	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Cl)c1	ZINC000013672675	563385506	/nfs/dbraw/zinc/38/55/06/563385506.db2.gz	CENAUFREANMIOP-INIZCTEOSA-N	1	0	308.853	3.724	40	0		DHABRO
Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)c(C)c1	ZINC000030555792	563437027	/nfs/dbraw/zinc/43/70/27/563437027.db2.gz	DNWJFXJTKKUAOP-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
Cc1cccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c1	ZINC000032462146	563442832	/nfs/dbraw/zinc/44/28/32/563442832.db2.gz	IXJWRYNQEOVBMU-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
CC(C)(C)OC(=O)CC[NH2+]CCc1ccc(Cl)cc1Cl	ZINC000047218979	563466133	/nfs/dbraw/zinc/46/61/33/563466133.db2.gz	QCSQOVYMLKSRGG-UHFFFAOYSA-N	1	0	318.244	3.857	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1	ZINC000012170242	563480060	/nfs/dbraw/zinc/48/00/60/563480060.db2.gz	HDWDFQCOCPBEAT-SOLBZPMBSA-N	1	0	319.489	3.702	40	0		DHABRO
O=C1CC[C@H](C[NH2+]CCC(c2ccccc2)c2ccccc2)O1	ZINC000068605947	563495659	/nfs/dbraw/zinc/49/56/59/563495659.db2.gz	JYCFYBNBSSKUKB-GOSISDBHSA-N	1	0	309.409	3.504	40	0		DHABRO
COc1ccc2[nH]c3c(c2c1)CCN(C(C)C)[C@H]3c1cccnc1	ZINC000072341977	563503422	/nfs/dbraw/zinc/50/34/22/563503422.db2.gz	IGJYEFICYLYPHR-FQEVSTJZSA-N	1	0	321.424	3.927	40	0		DHABRO
CC(C)C(=O)N1CC[C@@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1	ZINC000096071045	563532379	/nfs/dbraw/zinc/53/23/79/563532379.db2.gz	JEVHUZFRDRJSDP-SFHVURJKSA-N	1	0	320.864	3.563	40	0		DHABRO
CCC(=O)N1CCC2(CCC[N@H+](Cc3ccc(C)cc3)C2)CC1	ZINC000096158518	563534910	/nfs/dbraw/zinc/53/49/10/563534910.db2.gz	NWQGNJIYMRLZPU-UHFFFAOYSA-N	1	0	314.473	3.610	40	0		DHABRO
O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH+]1CCCCCCC1	ZINC000585288702	563543433	/nfs/dbraw/zinc/54/34/33/563543433.db2.gz	IDIWRIDZFQMGJR-IPMKNSEASA-N	1	0	303.446	3.614	40	0		DHABRO
Cc1ccc(C[NH2+]Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1	ZINC000013998449	563549509	/nfs/dbraw/zinc/54/95/09/563549509.db2.gz	PSXKABFUWSZINS-UHFFFAOYSA-N	1	0	306.409	3.743	40	0		DHABRO
Fc1cccc(C[n+]2cccc(-c3nc4ccccc4o3)c2)c1	ZINC000226308196	563605472	/nfs/dbraw/zinc/60/54/72/563605472.db2.gz	OCWPRYMMYXMOTE-UHFFFAOYSA-N	1	0	305.332	3.970	40	0		DHABRO
Cc1ccn2c(c1)nc(-c1ccc(O)cc1)c2NC[C@@H]1CCCO1	ZINC000000417358	563608157	/nfs/dbraw/zinc/60/81/57/563608157.db2.gz	PCXNXHUYQZIPQR-INIZCTEOSA-N	1	0	323.396	3.606	40	0		DHABRO
CC(=O)N[C@@]1(c2ccccc2)CC[N@@H+](C)[C@H](c2ccccc2)[C@@H]1C	ZINC000001514733	563620906	/nfs/dbraw/zinc/62/09/06/563620906.db2.gz	LTMCHGVWSAGBIT-NDXORKPFSA-N	1	0	322.452	3.731	40	0		DHABRO
COc1ccccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000000514870	563630355	/nfs/dbraw/zinc/63/03/55/563630355.db2.gz	MYYWAKHHBXKMQY-UHFFFAOYSA-N	1	0	310.397	3.543	40	0		DHABRO
CC(=O)c1cccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000010434008	563649326	/nfs/dbraw/zinc/64/93/26/563649326.db2.gz	RKMXMZICMFKQEY-UHFFFAOYSA-N	1	0	322.408	3.737	40	0		DHABRO
Cc1cc(-c2noc([C@H]3CCC[NH2+]3)n2)cc(C)c1OC(C)C	ZINC000095095420	563653385	/nfs/dbraw/zinc/65/33/85/563653385.db2.gz	AZASPJVJWMGQOI-CQSZACIVSA-N	1	0	301.390	3.565	40	0		DHABRO
COc1cc(C=O)ccc1OCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000217797931	563714468	/nfs/dbraw/zinc/71/44/68/563714468.db2.gz	ZDGOODLOJPYYCM-HOTGVXAUSA-N	1	0	319.445	3.645	40	0		DHABRO
CCOc1cc(C=O)ccc1OCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217789536	563714559	/nfs/dbraw/zinc/71/45/59/563714559.db2.gz	UWWNHWFBMMLTNM-GASCZTMLSA-N	1	0	305.418	3.540	40	0		DHABRO
NC1=[NH+]N(c2ccc(C(F)(F)F)cc2)[C@H](c2ccccc2)C1	ZINC000222547061	563726007	/nfs/dbraw/zinc/72/60/07/563726007.db2.gz	ASCYZYOOQDQFGK-AWEZNQCLSA-N	1	0	305.303	3.929	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000225222651	563750243	/nfs/dbraw/zinc/75/02/43/563750243.db2.gz	UEZREFWQDOYHMG-MRXNPFEDSA-N	1	0	302.462	3.837	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccccc1Cl	ZINC000225439531	563755366	/nfs/dbraw/zinc/75/53/66/563755366.db2.gz	ZKVKYVMTFGTESX-INIZCTEOSA-N	1	0	322.880	3.653	40	0		DHABRO
CC1CC[NH+](CCc2ccc3c(Cl)ccc(O)c3n2)CC1	ZINC000059474703	563771785	/nfs/dbraw/zinc/77/17/85/563771785.db2.gz	JWWQEQLKBHBSDX-UHFFFAOYSA-N	1	0	304.821	3.868	40	0		DHABRO
CCCn1nccc1-c1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000257200875	563789463	/nfs/dbraw/zinc/78/94/63/563789463.db2.gz	AFEVSIWSGCWKTQ-MRXNPFEDSA-N	1	0	312.461	3.943	40	0		DHABRO
Brc1ccc([C@H]2C[C@H]2C[NH+]2CCSCC2)cc1	ZINC000575424330	563857046	/nfs/dbraw/zinc/85/70/46/563857046.db2.gz	ZFJMTEABFKBRAP-GXTWGEPZSA-N	1	0	312.276	3.601	40	0		DHABRO
Cc1ccnc(N(CC[NH+]2CCCCC2)C(=O)OC(C)(C)C)c1	ZINC000199719651	563914362	/nfs/dbraw/zinc/91/43/62/563914362.db2.gz	JHWWNKWVYGBPNK-UHFFFAOYSA-N	1	0	319.449	3.617	40	0		DHABRO
CC(C)(C)OC(=O)NCC1CC[NH+](CC2CCCCC2)CC1	ZINC000067801191	563928216	/nfs/dbraw/zinc/92/82/16/563928216.db2.gz	ZTJRNAODRJKQCV-UHFFFAOYSA-N	1	0	310.482	3.803	40	0		DHABRO
C[C@H](c1ccccn1)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000101682196	568414983	/nfs/dbraw/zinc/41/49/83/568414983.db2.gz	AZUVUIZQXCYECR-CABCVRRESA-N	1	0	319.449	3.522	40	0		DHABRO
CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@@H]2C[NH2+]CC[C@H]21	ZINC000095635409	185382961	/nfs/dbraw/zinc/38/29/61/185382961.db2.gz	IZHFFHWVHONBQY-GXTWGEPZSA-N	1	0	308.809	3.541	40	0		DHABRO
C[NH2+][C@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C(C)C	ZINC000079437864	185171528	/nfs/dbraw/zinc/17/15/28/185171528.db2.gz	URQCCMFLWKGVAR-IRXDYDNUSA-N	1	0	304.434	3.564	40	0		DHABRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1	ZINC000082336950	185176383	/nfs/dbraw/zinc/17/63/83/185176383.db2.gz	HMBZBDFQLNKIGD-SECBINFHSA-N	1	0	320.742	3.639	40	0		DHABRO
O=c1[nH]c(C2CC[NH+](Cc3ccccn3)CC2)cc2ccccc21	ZINC000072360990	191131570	/nfs/dbraw/zinc/13/15/70/191131570.db2.gz	HODRDABEKSEFKO-UHFFFAOYSA-N	1	0	319.408	3.715	40	0		DHABRO
Cc1csc(Nc2nccnc2C2CC[NH+](C(C)C)CC2)n1	ZINC000072364886	191134625	/nfs/dbraw/zinc/13/46/25/191134625.db2.gz	SRLOJVYIOQDERH-UHFFFAOYSA-N	1	0	317.462	3.573	40	0		DHABRO
Cc1nccn1-c1cccc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1	ZINC000072378669	191141338	/nfs/dbraw/zinc/14/13/38/191141338.db2.gz	RYMWCKNZBJALRO-LJQANCHMSA-N	1	0	318.424	3.913	40	0		DHABRO
CCOC(=O)[C@@H]1CC2(CC[C@@H]1[NH3+])c1ccccc1-c1ccccc12	ZINC000004742913	181145939	/nfs/dbraw/zinc/14/59/39/181145939.db2.gz	ZXMLXVVRBMOTQI-APWZRJJASA-N	1	0	321.420	3.644	40	0		DHABRO
C[C@@H](CN1c2ccccc2CCc2cc(O)ccc21)C[NH+](C)C	ZINC000005141521	181209003	/nfs/dbraw/zinc/20/90/03/181209003.db2.gz	FQJSSUOYVSEYPF-OAHLLOKOSA-N	1	0	310.441	3.827	40	0	in-vitro	DHABRO
C=C[NH2+]CCc1nc2ccccc2n1CCOc1ccccc1C	ZINC000005235851	181219783	/nfs/dbraw/zinc/21/97/83/181219783.db2.gz	YBUKWDOKFSYUAO-UHFFFAOYSA-N	1	0	321.424	3.699	40	0		DHABRO
CCC[NH+](CCC)C[C@@H](O)c1ccc(Br)cc1	ZINC000006380179	181335673	/nfs/dbraw/zinc/33/56/73/181335673.db2.gz	QTESLTIBJCSSBB-CQSZACIVSA-N	1	0	300.240	3.605	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH+]1C[C@@H](C)C[C@H](C)C1	ZINC000006455826	181342298	/nfs/dbraw/zinc/34/22/98/181342298.db2.gz	GNUQLAUHEYANBI-ULQDDVLXSA-N	1	0	305.462	3.528	40	0		DHABRO
CC1(C)CC(=O)c2ccc(OCCC[NH+]3CCCCC3)cc2O1	ZINC000006782443	181387960	/nfs/dbraw/zinc/38/79/60/181387960.db2.gz	TXWXBHKULLNGLG-UHFFFAOYSA-N	1	0	317.429	3.685	40	0		DHABRO
c1ccc(-c2ncc(-c3ccncc3)c([C@@H]3CCC[NH2+]C3)n2)cc1	ZINC000257329681	203052133	/nfs/dbraw/zinc/05/21/33/203052133.db2.gz	XKZQCCSTLPSKMK-QGZVFWFLSA-N	1	0	316.408	3.673	40	0		DHABRO
Cc1ccc(C)c(C(=O)NCc2ccccc2C[NH+]2CCCC2)c1	ZINC000008011690	181518503	/nfs/dbraw/zinc/51/85/03/181518503.db2.gz	RQRYKJQPXSQOIO-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
Cc1cccc([C@]2(O)CCC[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)c1	ZINC000019234492	182111166	/nfs/dbraw/zinc/11/11/66/182111166.db2.gz	WZKXWNXCIGMSRI-SESVDKBCSA-N	1	0	322.452	3.510	40	0		DHABRO
CN(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@@H]12	ZINC000019366337	182119303	/nfs/dbraw/zinc/11/93/03/182119303.db2.gz	FXNFBJIRFUKCIC-LWYYNNOASA-N	1	0	302.506	3.787	40	0		DHABRO
CCn1ncc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c1C	ZINC000019523951	182128229	/nfs/dbraw/zinc/12/82/29/182128229.db2.gz	KUBBHBNYGDAYCB-INIZCTEOSA-N	1	0	302.422	3.625	40	0		DHABRO
COc1ccc(C[NH+]2CCC(c3cc4ncccc4[nH]3)CC2)cc1	ZINC000019555031	182129893	/nfs/dbraw/zinc/12/98/93/182129893.db2.gz	IVHYHDRFRONRQD-UHFFFAOYSA-N	1	0	321.424	3.951	40	0		DHABRO
CC(C)(C)OC(=O)NC[C@@H]([NH3+])c1ccc(Cl)cc1Cl	ZINC000019796209	182151115	/nfs/dbraw/zinc/15/11/15/182151115.db2.gz	CGCRUHRFBBMTQY-LLVKDONJSA-N	1	0	305.205	3.518	40	0		DHABRO
CC1CCN(C(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)CC1	ZINC000020460176	182220149	/nfs/dbraw/zinc/22/01/49/182220149.db2.gz	FIOGAAMSEWNEHT-KRWDZBQOSA-N	1	0	314.473	3.791	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)N(C)C3CCCC3)cc2)CC1	ZINC000020493067	182224598	/nfs/dbraw/zinc/22/45/98/182224598.db2.gz	LPURNSHLVPAXGI-UHFFFAOYSA-N	1	0	314.473	3.933	40	0		DHABRO
O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038849281	183010908	/nfs/dbraw/zinc/01/09/08/183010908.db2.gz	LDDQRVBFWFNMDZ-MRXNPFEDSA-N	1	0	312.388	3.676	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCC3)cc2)C1	ZINC000038832519	183010933	/nfs/dbraw/zinc/01/09/33/183010933.db2.gz	DUNYDOJBLZJIJJ-OAHLLOKOSA-N	1	0	300.446	3.591	40	0		DHABRO
CN(C(=O)OC(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1	ZINC000043861815	183387796	/nfs/dbraw/zinc/38/77/96/183387796.db2.gz	PPZIGCVMYZRQPN-UHFFFAOYSA-N	1	0	304.434	3.518	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C	ZINC000072219650	257124443	/nfs/dbraw/zinc/12/44/43/257124443.db2.gz	ZKPGKWBBLOQCQO-SFHVURJKSA-N	1	0	317.477	3.554	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C	ZINC000072219424	257124576	/nfs/dbraw/zinc/12/45/76/257124576.db2.gz	XCMSHKSUDFNSKQ-GOSISDBHSA-N	1	0	317.477	3.554	40	0		DHABRO
CC[N@@H+]1CCCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1	ZINC000072214335	257125913	/nfs/dbraw/zinc/12/59/13/257125913.db2.gz	RPINRFQTDFVSEE-AWEZNQCLSA-N	1	0	305.422	3.976	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[NH2+]1	ZINC000072214810	257125977	/nfs/dbraw/zinc/12/59/77/257125977.db2.gz	SMFZVSCHKJXFML-AWEZNQCLSA-N	1	0	305.422	3.658	40	0		DHABRO
CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C	ZINC000072214512	257126034	/nfs/dbraw/zinc/12/60/34/257126034.db2.gz	DSXINVWLOVHLFQ-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCC[N@@H+]2CC)cn1	ZINC000072214609	257126303	/nfs/dbraw/zinc/12/63/03/257126303.db2.gz	MJOBDHGTKGEHGY-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214490	257126540	/nfs/dbraw/zinc/12/65/40/257126540.db2.gz	VSMRKWUJCNCLKE-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCC[N@@H+]1C	ZINC000072214812	257126692	/nfs/dbraw/zinc/12/66/92/257126692.db2.gz	PPDBHDODHIOFBK-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
C[N@@H+]1CCC[C@H]1c1ccc(N(C(=O)OC(C)(C)C)C2CC2)nc1	ZINC000072215307	257126696	/nfs/dbraw/zinc/12/66/96/257126696.db2.gz	GWCSBVCYCUIHJO-HNNXBMFYSA-N	1	0	317.433	3.752	40	0		DHABRO
CC[N@@H+]1CCCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1	ZINC000072214454	257126729	/nfs/dbraw/zinc/12/67/29/257126729.db2.gz	QTUOZMJFDSLMRC-OAHLLOKOSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCC[NH2+]C2)n1	ZINC000072209128	257128137	/nfs/dbraw/zinc/12/81/37/257128137.db2.gz	UBRFZROFCSZQGF-LLVKDONJSA-N	1	0	321.808	3.644	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]2)n1	ZINC000072209133	257128305	/nfs/dbraw/zinc/12/83/05/257128305.db2.gz	GTSBJHPAHFFQHP-GFCCVEGCSA-N	1	0	307.781	3.602	40	0		DHABRO
CCC[C@H](C)NC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000039755705	257217515	/nfs/dbraw/zinc/21/75/15/257217515.db2.gz	MVWWNSSSUAUWLH-AWEZNQCLSA-N	1	0	322.880	3.857	40	0		DHABRO
C=C1[NH+]=C(SCCC)N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000408989147	257224769	/nfs/dbraw/zinc/22/47/69/257224769.db2.gz	KEAZINKXFYFZKK-OAHLLOKOSA-N	1	0	318.442	3.667	40	0		DHABRO
C[C@@H](O)c1ccc(-c2ccc(C[NH2+]Cc3ccncc3)o2)cc1	ZINC000007277245	333003269	/nfs/dbraw/zinc/00/32/69/333003269.db2.gz	BFWVOCHZZSKLLX-CQSZACIVSA-N	1	0	308.381	3.685	40	0		DHABRO
Cc1cccc([C@]2(O)CCC[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]32)c1	ZINC000248119723	341373491	/nfs/dbraw/zinc/37/34/91/341373491.db2.gz	WZKXWNXCIGMSRI-HMXCVIKNSA-N	1	0	322.452	3.510	40	0		DHABRO
C[NH2+]Cc1cc(Cl)c(OCc2ccccc2F)c(OC)c1	ZINC000008377344	563642084	/nfs/dbraw/zinc/64/20/84/563642084.db2.gz	XUWFZDYWGWEVBJ-UHFFFAOYSA-N	1	0	309.768	3.786	40	0		DHABRO
COc1cccc(C=O)c1OCCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217789944	563714856	/nfs/dbraw/zinc/71/48/56/563714856.db2.gz	HUEIPUFUKWDIOH-GASCZTMLSA-N	1	0	305.418	3.540	40	0		DHABRO
CC[NH2+]CCCCCCNc1cc(OC)cc2cccnc21	ZINC000001687517	563291413	/nfs/dbraw/zinc/29/14/13/563291413.db2.gz	JFCAWNCLPVCJJB-UHFFFAOYSA-N	1	0	301.434	3.825	40	0		DHABRO
C[NH+](C)CC[C@](O)(Cc1ccccc1)c1cccc(Cl)c1	ZINC000001698641	563292008	/nfs/dbraw/zinc/29/20/08/563292008.db2.gz	BZKMSZINPAIIIA-SFHVURJKSA-N	1	0	303.833	3.722	40	0		DHABRO
O=C(OCC[NH+]1CCCC1)[C@H](c1ccccc1)[C@@H]1C=CCCC1	ZINC000001712582	563293346	/nfs/dbraw/zinc/29/33/46/563293346.db2.gz	WBSQBCKCXJYLSQ-RTBURBONSA-N	1	0	313.441	3.766	40	0		DHABRO
CC[C@H](C)[C@H](C(=O)OC1CC[NH+](CC)CC1)c1ccccc1	ZINC000001726499	563293974	/nfs/dbraw/zinc/29/39/74/563293974.db2.gz	UBWAHRVZHIOXEQ-YJBOKZPZSA-N	1	0	303.446	3.844	40	0		DHABRO
CCCCC[NH2+]Cc1cc(Br)c(OC)c(OC)c1	ZINC000007261221	563337420	/nfs/dbraw/zinc/33/74/20/563337420.db2.gz	RUDPREFSKODJFE-UHFFFAOYSA-N	1	0	316.239	3.746	40	0		DHABRO
CC(C)(C)SCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010328303	563355834	/nfs/dbraw/zinc/35/58/34/563355834.db2.gz	RRROFTCTYGECET-UHFFFAOYSA-N	1	0	320.502	3.544	40	0		DHABRO
Cc1cc2cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)ccc2o1	ZINC000012199528	563363904	/nfs/dbraw/zinc/36/39/04/563363904.db2.gz	PXINLEZIVHZVAH-HNNXBMFYSA-N	1	0	314.429	3.591	40	0		DHABRO
COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccnc2)cc1	ZINC000012222601	563364734	/nfs/dbraw/zinc/36/47/34/563364734.db2.gz	AWCDBPOHAKXSBK-QKLQHJQFSA-N	1	0	324.424	3.522	40	0		DHABRO
Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccncc2)cc1	ZINC000012338004	563366328	/nfs/dbraw/zinc/36/63/28/563366328.db2.gz	VQWMKTDYCZUVSX-WDYCEAGBSA-N	1	0	312.388	3.653	40	0		DHABRO
Cc1cc(Nc2ccc3c(c2)OCO3)c2cc3c(cc2[nH+]1)OCO3	ZINC000013208332	563379672	/nfs/dbraw/zinc/37/96/72/563379672.db2.gz	LCBPJTNEHPZLSA-UHFFFAOYSA-N	1	0	322.320	3.744	40	0		DHABRO
CC[C@H](O)C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1	ZINC000068605850	563495685	/nfs/dbraw/zinc/49/56/85/563495685.db2.gz	LTOUAOJCUILPSO-SFHVURJKSA-N	1	0	308.425	3.941	40	0		DHABRO
CC[C@@H](O)C[N@H+](Cc1c[nH]c2ccccc12)Cc1ccccc1	ZINC000068605854	563495862	/nfs/dbraw/zinc/49/58/62/563495862.db2.gz	LTOUAOJCUILPSO-GOSISDBHSA-N	1	0	308.425	3.941	40	0		DHABRO
NC(=[NH2+])SCc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000071980734	563502247	/nfs/dbraw/zinc/50/22/47/563502247.db2.gz	OOXFCPOZEGPZRJ-UHFFFAOYSA-N	1	0	302.243	3.851	40	0		DHABRO
c1coc(C[N@H+]2Cc3cccn3C[C@H](CCOCC3CC3)C2)c1	ZINC000585095040	563515834	/nfs/dbraw/zinc/51/58/34/563515834.db2.gz	AUZUDCFPFMRGPG-QGZVFWFLSA-N	1	0	314.429	3.530	40	0		DHABRO
O=C1CC[C@@]2(CCC[N@H+](CC3CC3)CC2)N1CC1CCCCC1	ZINC000585100637	563517123	/nfs/dbraw/zinc/51/71/23/563517123.db2.gz	RGPNIFXAGBNJIL-HXUWFJFHSA-N	1	0	318.505	3.824	40	0		DHABRO
c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2ccccn2)cc1	ZINC000096061592	563532038	/nfs/dbraw/zinc/53/20/38/563532038.db2.gz	DBMMLLIYSUWIST-LEWJYISDSA-N	1	0	322.452	3.694	40	0		DHABRO
c1ccc(C[C@H]2[C@H](OCC3CC3)CC[N@@H+]2Cc2ccncc2)cc1	ZINC000096061594	563532163	/nfs/dbraw/zinc/53/21/63/563532163.db2.gz	FJTNGGOIOLWPGG-LEWJYISDSA-N	1	0	322.452	3.694	40	0		DHABRO
c1csc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)c1	ZINC000096046480	563532475	/nfs/dbraw/zinc/53/24/75/563532475.db2.gz	WXRUYFBTIIYFKR-UHFFFAOYSA-N	1	0	304.484	3.518	40	0		DHABRO
c1cc(C[NH+]2CCC3(C[C@@H](OCC4CCC4)CO3)CC2)cs1	ZINC000096106951	563533099	/nfs/dbraw/zinc/53/30/99/563533099.db2.gz	IIEBPPNCHOMCPM-QGZVFWFLSA-N	1	0	321.486	3.688	40	0		DHABRO
CC(C)[N@H+](C)Cc1cncc2c1CCN(Cc1ccsc1)C2	ZINC000096189465	563535603	/nfs/dbraw/zinc/53/56/03/563535603.db2.gz	LHOQUVBNYVWDBD-UHFFFAOYSA-N	1	0	315.486	3.542	40	0		DHABRO
COC1(COc2ccc(C)cc2C)CC[NH+](C2CCC2)CC1	ZINC000585280739	563541831	/nfs/dbraw/zinc/54/18/31/563541831.db2.gz	ADWNXVOHPWJGMA-UHFFFAOYSA-N	1	0	303.446	3.716	40	0		DHABRO
Cc1ccn2c(c1)nc(-c1ccccc1)c2NC[C@@H]1CCCO1	ZINC000000417330	563608417	/nfs/dbraw/zinc/60/84/17/563608417.db2.gz	DKUZPZWXJHLFCI-INIZCTEOSA-N	1	0	307.397	3.901	40	0		DHABRO
C[C@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1	ZINC000010111104	563646970	/nfs/dbraw/zinc/64/69/70/563646970.db2.gz	VYSSMTQDDWBPLK-INIZCTEOSA-N	1	0	320.502	3.550	40	0		DHABRO
COc1ccccc1-c1nnc([C@H]2CC[N@H+](CC(C)(C)C)C2)o1	ZINC000049170034	563701020	/nfs/dbraw/zinc/70/10/20/563701020.db2.gz	NINMAQCCQWUMCV-ZDUSSCGKSA-N	1	0	315.417	3.581	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C=O)ccc1OCCCC[N@@H+]1CCCC[C@@H]1C	ZINC000217798696	563714461	/nfs/dbraw/zinc/71/44/61/563714461.db2.gz	MAPWXYHGHNHPJC-INIZCTEOSA-N	1	0	319.445	3.931	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCCC[NH+]1CCC(C)CC1	ZINC000217798603	563714833	/nfs/dbraw/zinc/71/48/33/563714833.db2.gz	APWFAQIUFJUXDE-UHFFFAOYSA-N	1	0	319.445	3.789	40	0		DHABRO
NC1=[NH+]N(c2ccc(C(F)(F)F)cc2)[C@@H](c2ccccc2)C1	ZINC000222546980	563725944	/nfs/dbraw/zinc/72/59/44/563725944.db2.gz	ASCYZYOOQDQFGK-CQSZACIVSA-N	1	0	305.303	3.929	40	0		DHABRO
Cc1ccc(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(Cl)c1	ZINC000225001670	563746316	/nfs/dbraw/zinc/74/63/16/563746316.db2.gz	YSHDFEZANFGHKA-GJZGRUSLSA-N	1	0	322.880	3.746	40	0		DHABRO
c1cc([C@H]2CCCCN2Cc2cnc(-c3ccccc3)nc2)n[nH]1	ZINC000257220532	563790392	/nfs/dbraw/zinc/79/03/92/563790392.db2.gz	DLDHFSAJBRIZLH-GOSISDBHSA-N	1	0	319.412	3.594	40	0		DHABRO
C[N@@H+]1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1cc2ccccc2o1	ZINC000257225141	563790997	/nfs/dbraw/zinc/79/09/97/563790997.db2.gz	FFAIODAIVFRAGA-HKUYNNGSSA-N	1	0	312.413	3.522	40	0		DHABRO
CC(C)n1cc(-c2cnc(C3CC[NH+](C(C)C)CC3)cn2)cn1	ZINC000257239453	563791761	/nfs/dbraw/zinc/79/17/61/563791761.db2.gz	HPHYMXWYAHLLGS-UHFFFAOYSA-N	1	0	313.449	3.509	40	0		DHABRO
Cc1cnc(-c2cc([C@@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)s1	ZINC000257262492	563792302	/nfs/dbraw/zinc/79/23/02/563792302.db2.gz	LLPMZCVFVLWWLW-CQSZACIVSA-N	1	0	316.474	3.805	40	0		DHABRO
c1ncc(C[N@H+]2C[C@@H]3C[C@@H](OCc4ccccc4)C[C@@H]3C2)s1	ZINC000257271644	563792517	/nfs/dbraw/zinc/79/25/17/563792517.db2.gz	MZEDIZXGGFTODM-FVQHAEBGSA-N	1	0	314.454	3.570	40	0		DHABRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH2+]C1CCCCC1)C2	ZINC000035075057	563857880	/nfs/dbraw/zinc/85/78/80/563857880.db2.gz	BLSUEDKUVBIVGS-WOGUSJMUSA-N	1	0	323.521	3.891	40	0		DHABRO
C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000038832815	563923084	/nfs/dbraw/zinc/92/30/84/563923084.db2.gz	WRNMXHAPFJPEKZ-PXNSSMCTSA-N	1	0	322.452	3.776	40	0		DHABRO
Cc1cccc(CNc2cc(C3CC3)[nH+]c(NC(C)(C)C)n2)c1	ZINC000329030691	563960144	/nfs/dbraw/zinc/96/01/44/563960144.db2.gz	QEUJPSPMBPRRAI-UHFFFAOYSA-N	1	0	310.445	4.485	40	0		DHABRO
Cc1ccccc1-[n+]1nc(-c2ccccc2)nn1-c1ccccc1	ZINC000001569721	568412208	/nfs/dbraw/zinc/41/22/08/568412208.db2.gz	KQTQDBLOHIGNRV-UHFFFAOYSA-N	1	0	313.384	3.519	40	0		DHABRO
Fc1ccc(N2CC[NH+](CC3(c4ccccc4)CC3)CC2)cc1	ZINC000013992493	1022010882	/nfs/dbraw/zinc/01/08/82/1022010882.db2.gz	MTVIWHPITOZRLD-UHFFFAOYSA-N	1	0	310.416	3.680	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2)CC1	ZINC000255190008	1030980553	/nfs/dbraw/zinc/98/05/53/1030980553.db2.gz	UJAWPDHOXGWNBN-WKILWMFISA-N	1	0	322.424	3.751	40	0		DHABRO
CC[NH+](CC)CCCOc1ccc(NC(=O)C(C)(C)C)cc1	ZINC000225592453	186280844	/nfs/dbraw/zinc/28/08/44/186280844.db2.gz	DPQTTWLAGUMDIP-UHFFFAOYSA-N	1	0	306.450	3.782	40	0		DHABRO
c1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1	ZINC000072358150	191130501	/nfs/dbraw/zinc/13/05/01/191130501.db2.gz	KJFKQSIWOYDXIV-NRFANRHFSA-N	1	0	322.452	3.988	40	0		DHABRO
c1ccc(Cc2cccc([C@H]3CCC[N@@H+]3C3CCOCC3)n2)cc1	ZINC000072358151	191130554	/nfs/dbraw/zinc/13/05/54/191130554.db2.gz	KJFKQSIWOYDXIV-OAQYLSRUSA-N	1	0	322.452	3.988	40	0		DHABRO
Cc1cc(-c2ccc(C(F)(F)F)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000072363371	191132343	/nfs/dbraw/zinc/13/23/43/191132343.db2.gz	YGAFLVOCIVKXFZ-UHFFFAOYSA-N	1	0	321.346	3.938	40	0		DHABRO
Cc1cc(C)nc([C@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n1	ZINC000072369684	191139869	/nfs/dbraw/zinc/13/98/69/191139869.db2.gz	OOXUUHKKYCPNNK-SFHVURJKSA-N	1	0	318.424	3.631	40	0		DHABRO
Fc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](c3cc[nH]n3)C2)cc1	ZINC000072395171	191149637	/nfs/dbraw/zinc/14/96/37/191149637.db2.gz	BBOINKRJODLLQO-RBUKOAKNSA-N	1	0	321.399	3.932	40	0		DHABRO
C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C/c1ccccc1	ZINC000001568917	180873921	/nfs/dbraw/zinc/87/39/21/180873921.db2.gz	OVQQEGZJIGLKBO-LDZZWFCLSA-N	1	0	321.420	3.861	40	0		DHABRO
Cc1ccccc1OC[C@H](O)C[NH+]1C(C)(C)CCCC1(C)C	ZINC000003615135	181041464	/nfs/dbraw/zinc/04/14/64/181041464.db2.gz	SEUANAVITZNMPH-MRXNPFEDSA-N	1	0	305.462	3.778	40	0		DHABRO
C[C@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1	ZINC000004416232	181108266	/nfs/dbraw/zinc/10/82/66/181108266.db2.gz	KMIMUNJWKNUUOF-NZSAHSFTSA-N	1	0	313.441	3.764	40	0		DHABRO
CCOCC[N@H+](CC)[C@H](c1ccccc1)[C@H](O)c1ccccc1	ZINC000005699560	181274281	/nfs/dbraw/zinc/27/42/81/181274281.db2.gz	AYGOMERSBRPVHA-WOJBJXKFSA-N	1	0	313.441	3.820	40	0		DHABRO
Cc1cc(C)c(OC[C@H](O)C[N@@H+](C)C2CCCCC2)c(C)c1	ZINC000006008546	181305764	/nfs/dbraw/zinc/30/57/64/181305764.db2.gz	YUHHTAQBGVWCLG-GOSISDBHSA-N	1	0	305.462	3.616	40	0		DHABRO
Cc1ccc(C(=O)NCCC[NH+]2CCC(C)CC2)c(Cl)c1	ZINC000191142283	200633197	/nfs/dbraw/zinc/63/31/97/200633197.db2.gz	RYKDHZIRTKUGGV-UHFFFAOYSA-N	1	0	308.853	3.500	40	0		DHABRO
CC[C@@H](OC[C@@H](O)C[N@H+](C)C1CCCCC1)c1ccccc1	ZINC000006356110	181333952	/nfs/dbraw/zinc/33/39/52/181333952.db2.gz	ZYEJBRMTHITMNI-RBUKOAKNSA-N	1	0	305.462	3.780	40	0		DHABRO
CC[C@H](C)[NH2+]CCOC(=O)C(c1ccccc1)c1ccccc1	ZINC000006412300	181338823	/nfs/dbraw/zinc/33/88/23/181338823.db2.gz	GOVLDUBOOKNYLA-INIZCTEOSA-N	1	0	311.425	3.750	40	0		DHABRO
Cc1cc(OC(C)C)cc(C)c1C(=O)OC[C@H](C)[NH+]1CCCC1	ZINC000006521958	181348699	/nfs/dbraw/zinc/34/86/99/181348699.db2.gz	BRBLEMUGJBOMCV-INIZCTEOSA-N	1	0	319.445	3.732	40	0		DHABRO
Cc1nc(-c2cc(C[C@@H]3CCC[N@@H+](C)C3)ccn2)sc1C	ZINC000257279919	203008368	/nfs/dbraw/zinc/00/83/68/203008368.db2.gz	OISMIOXNLLWWAW-HNNXBMFYSA-N	1	0	301.459	3.706	40	0		DHABRO
Fc1ccccc1Cc1cnc([C@@H]2CCC[N@H+](CC3CC3)C2)o1	ZINC000257313034	203036475	/nfs/dbraw/zinc/03/64/75/203036475.db2.gz	UQSWIWWLKYQYNV-MRXNPFEDSA-N	1	0	314.404	3.994	40	0		DHABRO
CCNc1cc([C@@H]2CCC[N@@H+]2Cc2ccc(C)cc2)nc(C)n1	ZINC000257323053	203047780	/nfs/dbraw/zinc/04/77/80/203047780.db2.gz	WIOOWTLQRMPCDM-SFHVURJKSA-N	1	0	310.445	3.862	40	0		DHABRO
CCOC[C@H]1COCCC12CC[NH+](Cc1sccc1C)CC2	ZINC000096106421	193539379	/nfs/dbraw/zinc/53/93/79/193539379.db2.gz	KHGPZWLMNBDNPJ-INIZCTEOSA-N	1	0	323.502	3.712	40	0		DHABRO
Fc1ccccc1CC[NH2+]Cc1ccc(Br)cc1	ZINC000016449539	182044938	/nfs/dbraw/zinc/04/49/38/182044938.db2.gz	MBEVHMXREODUOS-UHFFFAOYSA-N	1	0	308.194	3.921	40	0		DHABRO
C[NH+](C)CCOC1=Nc2ccccc2O/C1=C/c1ccccc1	ZINC000017107108	182074654	/nfs/dbraw/zinc/07/46/54/182074654.db2.gz	LGIFXGMQZXFXTI-NBVRZTHBSA-N	1	0	308.381	3.728	40	0		DHABRO
Cc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1	ZINC000019287290	182112871	/nfs/dbraw/zinc/11/28/71/182112871.db2.gz	GPJVPSKSFOPVDH-YRPNKDGESA-N	1	0	307.441	3.847	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1ccc(F)cc1F	ZINC000019582564	182132474	/nfs/dbraw/zinc/13/24/74/182132474.db2.gz	YVXXWHDKOOGLIH-UHFFFAOYSA-N	1	0	310.413	3.590	40	0		DHABRO
CCC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000020038728	182183126	/nfs/dbraw/zinc/18/31/26/182183126.db2.gz	MCHXLEZGLRTCAK-MRXNPFEDSA-N	1	0	302.462	3.837	40	0		DHABRO
COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+](C)C)cc1	ZINC000020680978	182243309	/nfs/dbraw/zinc/24/33/09/182243309.db2.gz	HWBNZLFQDQBPPU-UHFFFAOYSA-N	1	0	307.397	3.610	40	0		DHABRO
O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038849216	183010944	/nfs/dbraw/zinc/01/09/44/183010944.db2.gz	SCBQQUWCBLSALZ-INIZCTEOSA-N	1	0	312.388	3.676	40	0		DHABRO
CCCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000038858874	183012284	/nfs/dbraw/zinc/01/22/84/183012284.db2.gz	PPUGDHNYFHLAAI-INIZCTEOSA-N	1	0	322.880	3.858	40	0		DHABRO
O=C(OCc1ccccc1)N1CCC([NH2+]Cc2ccccc2)CC1	ZINC000039951994	183023797	/nfs/dbraw/zinc/02/37/97/183023797.db2.gz	WLWMPHXMKPXNSW-UHFFFAOYSA-N	1	0	324.424	3.577	40	0		DHABRO
Cc1ccc(C)c(NC(=S)NCCC[NH+]2CCCCCC2)c1	ZINC000061247047	184166891	/nfs/dbraw/zinc/16/68/91/184166891.db2.gz	HTMPFORNDCQNJS-UHFFFAOYSA-N	1	0	319.518	3.856	40	0		DHABRO
[NH3+][C@H](c1ccccc1)c1ccc(N2CCc3ccccc3C2)nc1	ZINC000072225775	257123065	/nfs/dbraw/zinc/12/30/65/257123065.db2.gz	CRSAWGDBPMTJRA-OAQYLSRUSA-N	1	0	315.420	3.692	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1	ZINC000072219365	257124061	/nfs/dbraw/zinc/12/40/61/257124061.db2.gz	GYKGRBVVICFBSN-SFHVURJKSA-N	1	0	317.477	3.554	40	0		DHABRO
Cc1nc(N(C)C)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072218769	257124465	/nfs/dbraw/zinc/12/44/65/257124465.db2.gz	BJHUSGJORYMVKO-OAHLLOKOSA-N	1	0	319.449	3.918	40	0		DHABRO
CCCCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039762816	257217431	/nfs/dbraw/zinc/21/74/31/257217431.db2.gz	FRDFOKHUTWEVRM-UHFFFAOYSA-N	1	0	322.880	3.858	40	0		DHABRO
COc1ccc(C[N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)cc1	ZINC000049168845	560084797	/nfs/dbraw/zinc/08/47/97/560084797.db2.gz	QYRRGIQSGBJWFB-HNNXBMFYSA-N	1	0	308.381	3.826	40	0	biogenic,in-vitro	DHABRO
C[C@H](C[NH+](C)C)[C@](O)(Cc1ccccc1)c1ccc(Cl)cc1	ZINC000001698656	563291809	/nfs/dbraw/zinc/29/18/09/563291809.db2.gz	YIVFNVSKOBCLBC-DNVCBOLYSA-N	1	0	317.860	3.968	40	0		DHABRO
O=C(CCc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1	ZINC000008406319	563347400	/nfs/dbraw/zinc/34/74/00/563347400.db2.gz	UBJGIGCSENEBOE-UHFFFAOYSA-N	1	0	322.452	3.531	40	0		DHABRO
Fc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccnc2)cc1	ZINC000012085377	563361883	/nfs/dbraw/zinc/36/18/83/563361883.db2.gz	LPXOVGUCSUIEGK-WDYCEAGBSA-N	1	0	312.388	3.653	40	0		DHABRO
COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)[N@@H+]2Cc2cccnc2)cc1	ZINC000012085384	563362017	/nfs/dbraw/zinc/36/20/17/563362017.db2.gz	AWCDBPOHAKXSBK-FUHIMQAGSA-N	1	0	324.424	3.522	40	0		DHABRO
Cc1ccc2c(c1)CNC[C@]1(CCC[N@H+](Cc3ccccc3)C1)O2	ZINC000012122986	563362399	/nfs/dbraw/zinc/36/23/99/563362399.db2.gz	CLTJTUMRSISCCL-NRFANRHFSA-N	1	0	322.452	3.512	40	0		DHABRO
Clc1cccc(-c2cc3nccc([C@H]4CCC[NH2+]C4)n3n2)c1	ZINC000012154370	563362907	/nfs/dbraw/zinc/36/29/07/563362907.db2.gz	HOKZETJYGJCZNO-ZDUSSCGKSA-N	1	0	312.804	3.517	40	0		DHABRO
Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@H+]1Cc1cccc2cccnc21	ZINC000012186457	563363762	/nfs/dbraw/zinc/36/37/62/563363762.db2.gz	WPKKFFLMEUMDPA-QFBILLFUSA-N	1	0	316.408	3.595	40	0		DHABRO
COc1ccc(C[N@H+](C)C[C@@H](O)c2ccc(Cl)cc2)cc1	ZINC000031912123	563441442	/nfs/dbraw/zinc/44/14/42/563441442.db2.gz	QOWAEAOVVVVSBP-QGZVFWFLSA-N	1	0	305.805	3.514	40	0		DHABRO
CCCN1CCc2c3cc(OC)ccc3[nH]c2[C@H]1c1cccnc1	ZINC000072341981	563503407	/nfs/dbraw/zinc/50/34/07/563503407.db2.gz	PULLSOCTIGASQE-HXUWFJFHSA-N	1	0	321.424	3.929	40	0		DHABRO
COCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(C)s2)C1	ZINC000585094659	563516045	/nfs/dbraw/zinc/51/60/45/563516045.db2.gz	RVEOTJGUXUKPEF-HNNXBMFYSA-N	1	0	304.459	3.527	40	0		DHABRO
CC(C)C(=O)N1CC[C@]2(CCC[N@@H+]2Cc2cccc(Cl)c2)C1	ZINC000096071044	563532736	/nfs/dbraw/zinc/53/27/36/563532736.db2.gz	JEVHUZFRDRJSDP-GOSISDBHSA-N	1	0	320.864	3.563	40	0		DHABRO
CCC[NH+]1CCC(c2nc3ccc(-c4ccccc4)cn3n2)CC1	ZINC000096155755	563534970	/nfs/dbraw/zinc/53/49/70/563534970.db2.gz	WLHXQDXFRDTQAY-UHFFFAOYSA-N	1	0	320.440	3.986	40	0		DHABRO
Cc1cc(OC[C@]2(O)CCC[N@@H+](C3CCC3)C2)cc(C)c1Cl	ZINC000585282137	563541629	/nfs/dbraw/zinc/54/16/29/563541629.db2.gz	YCZWUPNSTVUYJK-SFHVURJKSA-N	1	0	323.864	3.715	40	0		DHABRO
O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]C1CCCCCC1	ZINC000585289192	563542700	/nfs/dbraw/zinc/54/27/00/563542700.db2.gz	NSBVIOXTCYXUQJ-IPMKNSEASA-N	1	0	321.436	3.799	40	0		DHABRO
COCCC[NH2+]Cc1cccn1-c1cccc(C(F)(F)F)c1	ZINC000113704063	563584122	/nfs/dbraw/zinc/58/41/22/563584122.db2.gz	NVWNQASZWXTIET-UHFFFAOYSA-N	1	0	312.335	3.622	40	0		DHABRO
Cc1cccc(C)c1NC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1	ZINC000000353315	563616137	/nfs/dbraw/zinc/61/61/37/563616137.db2.gz	RVGMBJVDJFDQQR-MRXNPFEDSA-N	1	0	315.461	3.832	40	0		DHABRO
CCOc1cccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)c1	ZINC000000514874	563630237	/nfs/dbraw/zinc/63/02/37/563630237.db2.gz	YJYGLGGGLUXIHQ-UHFFFAOYSA-N	1	0	324.424	3.933	40	0		DHABRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1	ZINC000100809282	563632598	/nfs/dbraw/zinc/63/25/98/563632598.db2.gz	VJOIHOVMAVSBHN-GASCZTMLSA-N	1	0	322.424	3.751	40	0		DHABRO
CCCc1nnc([C@H]2CC[N@H+](Cc3cnc4ccccc4c3)C2)o1	ZINC000049170275	563700980	/nfs/dbraw/zinc/70/09/80/563700980.db2.gz	PIKNWHNJLJJNPO-INIZCTEOSA-N	1	0	322.412	3.560	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C=O)ccc1OCCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217791663	563714791	/nfs/dbraw/zinc/71/47/91/563714791.db2.gz	ZZCSTKNPMXZFKC-IYBDPMFKSA-N	1	0	319.445	3.930	40	0		DHABRO
CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCCCCC2)cc1	ZINC000225222687	563750585	/nfs/dbraw/zinc/75/05/85/563750585.db2.gz	UEZREFWQDOYHMG-INIZCTEOSA-N	1	0	302.462	3.837	40	0		DHABRO
CC(C)[C@@H](C)NC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000260893040	563781659	/nfs/dbraw/zinc/78/16/59/563781659.db2.gz	GIEICFOSJOJGJH-JKSUJKDBSA-N	1	0	302.462	3.693	40	0		DHABRO
Cc1cnc([C@H]2CN(Cc3cccc4ccccc43)CCO2)cn1	ZINC000257206947	563789695	/nfs/dbraw/zinc/78/96/95/563789695.db2.gz	BFPQLUQAMVEVPU-HXUWFJFHSA-N	1	0	319.408	3.512	40	0		DHABRO
O=C(C1CCCCC1)N1Cc2nccn2C[C@@H]1c1ccccc1	ZINC000257256336	563792286	/nfs/dbraw/zinc/79/22/86/563792286.db2.gz	KKZSFKZPITWDEU-QGZVFWFLSA-N	1	0	309.413	3.547	40	0		DHABRO
O=C(C1CCCCC1)N1Cc2nccn2C[C@H]1c1ccccc1	ZINC000257256335	563792429	/nfs/dbraw/zinc/79/24/29/563792429.db2.gz	KKZSFKZPITWDEU-KRWDZBQOSA-N	1	0	309.413	3.547	40	0		DHABRO
Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccn2C(C)C)ccn1	ZINC000257265785	563792458	/nfs/dbraw/zinc/79/24/58/563792458.db2.gz	MAFRZYJQMINMCW-SFHVURJKSA-N	1	0	312.461	3.765	40	0		DHABRO
Cc1ccc(OC[C@@H](O)C[NH+]2CCC(C)CC2)c(C(C)(C)C)c1	ZINC000027531031	563812406	/nfs/dbraw/zinc/81/24/06/563812406.db2.gz	XVLCCMGLLHQIMU-KRWDZBQOSA-N	1	0	319.489	3.764	40	0		DHABRO
C[C@H]1CCC[N@H+](C[C@@H](O)COC2CCC(C(C)(C)C)CC2)C1	ZINC000026781035	563856510	/nfs/dbraw/zinc/85/65/10/563856510.db2.gz	OHQWOUQOOHHSLW-PBHCIXSXSA-N	1	0	311.510	3.701	40	0		DHABRO
Clc1cccc(C[N@@H+]2CC[C@H](c3nc4cccnc4[nH]3)C2)c1	ZINC000035442891	563867350	/nfs/dbraw/zinc/86/73/50/563867350.db2.gz	AZHUSTCPKRGEMA-ZDUSSCGKSA-N	1	0	312.804	3.601	40	0	biogenic,in-vitro	DHABRO
COc1ccc(C)cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010336563	563922677	/nfs/dbraw/zinc/92/26/77/563922677.db2.gz	MMMWJAGYWZBCMQ-UHFFFAOYSA-N	1	0	324.424	3.852	40	0		DHABRO
C[NH+]1CCN(c2ccc(Nc3ccnc4ccccc43)cc2)CC1	ZINC000001507915	568421639	/nfs/dbraw/zinc/42/16/39/568421639.db2.gz	RXXDJBWYJTWSKV-UHFFFAOYSA-N	1	0	318.424	3.730	40	0	in-vivo	DHABRO
CC(C)[C@H]([NH3+])C(=O)N(Cc1cc(Cl)ccc1Cl)C(C)C	ZINC000079420399	185170722	/nfs/dbraw/zinc/17/07/22/185170722.db2.gz	ZXZFTCLYQXPIKU-AWEZNQCLSA-N	1	0	317.260	3.714	40	0		DHABRO
c1ccc(C[NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)cc1	ZINC000306142887	231091065	/nfs/dbraw/zinc/09/10/65/231091065.db2.gz	XNFUIDIACPOEKM-LJQANCHMSA-N	1	0	315.420	3.791	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cc(C)c(C)cc1C	ZINC000225649570	186286648	/nfs/dbraw/zinc/28/66/48/186286648.db2.gz	LVOXJBJYEWXTCH-SFHVURJKSA-N	1	0	316.489	3.996	40	0		DHABRO
COc1ccccc1C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1OC	ZINC000001648452	180883508	/nfs/dbraw/zinc/88/35/08/180883508.db2.gz	SKVZMKWCURTNKK-HZPDHXFCSA-N	1	0	313.441	3.856	40	0	in-man	DHABRO
CC(C)CC(CC(C)C)[NH2+]C[C@@H](C)OC(=O)c1ccc(N)cc1	ZINC000001841831	180898529	/nfs/dbraw/zinc/89/85/29/180898529.db2.gz	RTUNRXVTBHWXIR-OAHLLOKOSA-N	1	0	320.477	3.865	40	0		DHABRO
CCOC(=O)[C@H]1C[NH2+][C@@H](c2ccccc2)C[C@@H]1c1ccccc1	ZINC000003845407	181048614	/nfs/dbraw/zinc/04/86/14/181048614.db2.gz	VRGSYPCBWQRFQZ-CEXWTWQISA-N	1	0	309.409	3.684	40	0		DHABRO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000004011543	181062206	/nfs/dbraw/zinc/06/22/06/181062206.db2.gz	FMTHLQDBSCILBQ-QXCZDIPSSA-N	1	0	311.510	3.557	40	0		DHABRO
C[C@H]1CCC[N@@H+]1CCOC(=O)[C@@H](c1ccccc1)C1CCCC1	ZINC000004404509	181107527	/nfs/dbraw/zinc/10/75/27/181107527.db2.gz	YLQSFTKJKOZBBJ-LPHOPBHVSA-N	1	0	315.457	3.988	40	0		DHABRO
C[NH+]1CCC([C@H]2COC2(c2ccccc2)c2ccccc2)CC1	ZINC000004395597	181106499	/nfs/dbraw/zinc/10/64/99/181106499.db2.gz	PYYYJPPJCMMYFY-HXUWFJFHSA-N	1	0	307.437	3.918	40	0		DHABRO
C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1OC(=O)/C=C\c1ccccc1	ZINC000005640764	181267444	/nfs/dbraw/zinc/26/74/44/181267444.db2.gz	OVQQEGZJIGLKBO-SGUKPQGJSA-N	1	0	321.420	3.861	40	0		DHABRO
CC[C@@H](COC(=O)c1ccc(N(C)C)cc1)[NH2+]C1CCCCC1	ZINC000005846109	181289110	/nfs/dbraw/zinc/28/91/10/181289110.db2.gz	DSUZCUIWCYBBTC-INIZCTEOSA-N	1	0	318.461	3.610	40	0		DHABRO
CC[NH+](CC)[C@H](C)CC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000006384811	181336289	/nfs/dbraw/zinc/33/62/89/181336289.db2.gz	NOOZFQJIKQXDCX-QGZVFWFLSA-N	1	0	324.468	3.578	40	0		DHABRO
CC[NH+](CC)[C@@H](Cc1ccccc1)c1ccc(OCCO)cc1	ZINC000006384804	181336741	/nfs/dbraw/zinc/33/67/41/181336741.db2.gz	NKQCZMPDNOVGMO-FQEVSTJZSA-N	1	0	313.441	3.683	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000006455339	181341991	/nfs/dbraw/zinc/34/19/91/181341991.db2.gz	GNUQLAUHEYANBI-BBWFWOEESA-N	1	0	305.462	3.528	40	0		DHABRO
CCn1nccc1-c1cc(C[C@H]2CCC[N@@H+](C(C)C)C2)ccn1	ZINC000257235495	202969045	/nfs/dbraw/zinc/96/90/45/202969045.db2.gz	GYCOBGCWFJBYEY-QGZVFWFLSA-N	1	0	312.461	3.628	40	0		DHABRO
Fc1ccccc1C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3)no2)C1	ZINC000257313510	203038852	/nfs/dbraw/zinc/03/88/52/203038852.db2.gz	USWQNEPQEGHABZ-MRXNPFEDSA-N	1	0	323.371	3.865	40	0		DHABRO
CCCn1nccc1-c1cccc(C[C@@H]2CC[N@@H+](C(C)C)C2)n1	ZINC000257337142	203057813	/nfs/dbraw/zinc/05/78/13/203057813.db2.gz	YROODDGMWSXDGT-INIZCTEOSA-N	1	0	312.461	3.628	40	0		DHABRO
CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OC	ZINC000008326629	181548346	/nfs/dbraw/zinc/54/83/46/181548346.db2.gz	ULJLAMUPEUJAKX-JTQLQIEISA-N	1	0	316.239	3.745	40	0		DHABRO
C[C@H](O)C[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1F	ZINC000008497950	181560535	/nfs/dbraw/zinc/56/05/35/181560535.db2.gz	KPOOIBQZDBRICH-LBPRGKRZSA-N	1	0	323.795	3.529	40	0		DHABRO
C[C@@H](Sc1ccccc1)C(=O)NCCC[NH+]1CCCCCC1	ZINC000010111105	181656833	/nfs/dbraw/zinc/65/68/33/181656833.db2.gz	VYSSMTQDDWBPLK-MRXNPFEDSA-N	1	0	320.502	3.550	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)C[NH2+]C1CCCCC1)C2	ZINC000009970718	181650276	/nfs/dbraw/zinc/65/02/76/181650276.db2.gz	SFEWGPJTCPCSHS-MYZZLAAOSA-N	1	0	309.494	3.501	40	0		DHABRO
S=C(NCCC[NH+]1CCCCC1)Nc1cccc(Cl)c1	ZINC000018162532	182095849	/nfs/dbraw/zinc/09/58/49/182095849.db2.gz	DJTWLPLEENCHAQ-UHFFFAOYSA-N	1	0	311.882	3.502	40	0		DHABRO
Fc1cccc(Cn2c([C@@H]3CCC[NH2+]C3)cc3cccnc32)c1	ZINC000019293949	182113732	/nfs/dbraw/zinc/11/37/32/182113732.db2.gz	UATZYHXHOHGTBZ-MRXNPFEDSA-N	1	0	309.388	3.691	40	0		DHABRO
c1csc(-c2noc([C@H]3CC[N@@H+](Cc4ccsc4)C3)n2)c1	ZINC000019344697	182117788	/nfs/dbraw/zinc/11/77/88/182117788.db2.gz	KOIGCNRRLSWDRI-LBPRGKRZSA-N	1	0	317.439	3.849	40	0		DHABRO
c1csc(C[N@@H+]2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1	ZINC000019343386	182116589	/nfs/dbraw/zinc/11/65/89/182116589.db2.gz	PMLQNIZCWSWBAX-LLVKDONJSA-N	1	0	317.439	3.849	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1cccc(F)c1F	ZINC000019582604	182132005	/nfs/dbraw/zinc/13/20/05/182132005.db2.gz	AERPJKIUYCTAGO-UHFFFAOYSA-N	1	0	310.413	3.590	40	0		DHABRO
Clc1ccccc1CN1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	ZINC000019788321	182148352	/nfs/dbraw/zinc/14/83/52/182148352.db2.gz	XLOBFAUBASFTED-SOLBZPMBSA-N	1	0	316.876	3.670	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cc(C)ccc1C	ZINC000020111362	182188167	/nfs/dbraw/zinc/18/81/67/182188167.db2.gz	QKVVJIVMHIXNTL-LJQANCHMSA-N	1	0	316.489	3.617	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)NC3CCCCC3)cc2)CC1	ZINC000020458328	182219967	/nfs/dbraw/zinc/21/99/67/182219967.db2.gz	CRQLOPTZWLAULS-UHFFFAOYSA-N	1	0	314.473	3.981	40	0		DHABRO
[NH3+][C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000021503001	182275758	/nfs/dbraw/zinc/27/57/58/182275758.db2.gz	DUBZITIVDSZLKP-CYBMUJFWSA-N	1	0	309.196	3.502	40	0		DHABRO
CCOc1ccc(C[NH2+]CCc2ccccc2F)cc1OC	ZINC000022074634	182307763	/nfs/dbraw/zinc/30/77/63/182307763.db2.gz	JOSHGQWQFUGSQM-UHFFFAOYSA-N	1	0	303.377	3.565	40	0		DHABRO
CCN(CC)CC[NH2+]Cc1cccc(OCc2ccccc2)c1	ZINC000022075428	182307832	/nfs/dbraw/zinc/30/78/32/182307832.db2.gz	CMJMYSVEXWEAEY-UHFFFAOYSA-N	1	0	312.457	3.697	40	0		DHABRO
Cc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038833155	183011119	/nfs/dbraw/zinc/01/11/19/183011119.db2.gz	NIMNESAALLKLFC-SFHVURJKSA-N	1	0	308.425	3.846	40	0		DHABRO
COc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000038835061	183011660	/nfs/dbraw/zinc/01/16/60/183011660.db2.gz	UIWJFMRYTWLCSC-KRWDZBQOSA-N	1	0	324.424	3.546	40	0		DHABRO
CC(C)OCCC[N@H+](Cc1cccs1)Cc1ccncc1	ZINC000057797105	184053085	/nfs/dbraw/zinc/05/30/85/184053085.db2.gz	UGXFCOJZTNLENP-UHFFFAOYSA-N	1	0	304.459	3.960	40	0		DHABRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000060322499	184146293	/nfs/dbraw/zinc/14/62/93/184146293.db2.gz	AQYLZKHXIRGHDO-AWEZNQCLSA-N	1	0	322.880	3.713	40	0		DHABRO
Cc1cccc(NC(=S)NCCC[NH+]2CCCCCC2)c1	ZINC000061247019	184166967	/nfs/dbraw/zinc/16/69/67/184166967.db2.gz	DPIIELMNFXENBZ-UHFFFAOYSA-N	1	0	305.491	3.548	40	0		DHABRO
Cc1ccc(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000010367163	524558652	/nfs/dbraw/zinc/55/86/52/524558652.db2.gz	QRGLXBWBDQVBQN-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
CC(C)c1ccc(NC(=S)NCCC[NH+]2CCCC2)cc1	ZINC000007026925	563335952	/nfs/dbraw/zinc/33/59/52/563335952.db2.gz	YDIKMTBVJSKALR-UHFFFAOYSA-N	1	0	305.491	3.582	40	0		DHABRO
CC(C)C(NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)C	ZINC000010336462	563355977	/nfs/dbraw/zinc/35/59/77/563355977.db2.gz	GDDSPSDYUNODPT-UHFFFAOYSA-N	1	0	302.462	3.693	40	0		DHABRO
COc1ccc(C[N@@H+]2CCC[C@@H]2c2cc3cccnc3[nH]2)cc1	ZINC000012236400	563365326	/nfs/dbraw/zinc/36/53/26/563365326.db2.gz	LSBHUEHEOSZKOE-GOSISDBHSA-N	1	0	307.397	3.909	40	0		DHABRO
CCOc1ccc(C[N@@H+]2CCCCC[C@@H]2c2ccn(C)n2)cc1	ZINC000012275815	563365739	/nfs/dbraw/zinc/36/57/39/563365739.db2.gz	DGYYNZMRWACISA-LJQANCHMSA-N	1	0	313.445	3.936	40	0		DHABRO
Fc1ccc(COc2cccc(C[NH2+]C[C@@H]3CCCO3)c2)cc1	ZINC000016399571	563412347	/nfs/dbraw/zinc/41/23/47/563412347.db2.gz	VMRITMKYJJENJI-IBGZPJMESA-N	1	0	315.388	3.673	40	0		DHABRO
CN(C)CC[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CCCCC1=C1CCCC[C@H]12	ZINC000022585498	563419258	/nfs/dbraw/zinc/41/92/58/563419258.db2.gz	FXNFBJIRFUKCIC-FGYAAKKASA-N	1	0	302.506	3.787	40	0		DHABRO
O=C(NCC1CCCCC1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000027623863	563428783	/nfs/dbraw/zinc/42/87/83/563428783.db2.gz	QUHVOTWMXAYXHV-UHFFFAOYSA-N	1	0	314.473	3.983	40	0		DHABRO
CN(C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1	ZINC000044910175	563464440	/nfs/dbraw/zinc/46/44/40/563464440.db2.gz	FNQZKGLAPAJKTF-GOSISDBHSA-N	1	0	308.425	3.562	40	0		DHABRO
C[C@@H]1CCC[N@H+](CCCNC(=O)CCc2ccc(Cl)cc2)C1	ZINC000046960933	563465619	/nfs/dbraw/zinc/46/56/19/563465619.db2.gz	MIKABUNYWYRRTM-OAHLLOKOSA-N	1	0	322.880	3.511	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2	ZINC000000093690	563512802	/nfs/dbraw/zinc/51/28/02/563512802.db2.gz	WQIVCNLLAVUHIE-JWTNVVGKSA-N	1	0	313.441	3.667	40	0		DHABRO
C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1	ZINC000095533130	563530527	/nfs/dbraw/zinc/53/05/27/563530527.db2.gz	ZIFHGHPZOZPZEN-MDZRGWNJSA-N	1	0	313.441	3.557	40	0		DHABRO
c1cc(C[N@H+]2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)cs1	ZINC000096056999	563532009	/nfs/dbraw/zinc/53/20/09/563532009.db2.gz	WMUHCITWGNZEDZ-QZTJIDSGSA-N	1	0	321.486	3.546	40	0		DHABRO
Fc1ccc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)cc1	ZINC000096046486	563532464	/nfs/dbraw/zinc/53/24/64/563532464.db2.gz	YBVNJTZTOBSCOU-UHFFFAOYSA-N	1	0	316.445	3.595	40	0		DHABRO
COc1ccc(CN2CC[C@@]3(C2)CCC[N@H+](CC(C)C)C3)cc1	ZINC000096215266	563535586	/nfs/dbraw/zinc/53/55/86/563535586.db2.gz	XOLJLRIEHGBXJO-FQEVSTJZSA-N	1	0	316.489	3.639	40	0		DHABRO
Cc1cc([C@@H]2c3ccccc3CCC[N@@H+]2[C@@H]2CCOC2)ccn1	ZINC000096260791	563536292	/nfs/dbraw/zinc/53/62/92/563536292.db2.gz	OPOOVEDFDNTLAZ-UYAOXDASSA-N	1	0	308.425	3.517	40	0		DHABRO
Cc1ccc(OC[C@]2(O)CCC[N@@H+](C3CCCC3)CC2)c(C)c1	ZINC000585280822	563541916	/nfs/dbraw/zinc/54/19/16/563541916.db2.gz	ARVPZJPSMRFDDE-FQEVSTJZSA-N	1	0	317.473	3.842	40	0		DHABRO
Cc1ccc(OC[C@@]2(O)CCC[N@@H+](C3CCCC3)CC2)c(C)c1	ZINC000585280830	563542091	/nfs/dbraw/zinc/54/20/91/563542091.db2.gz	ARVPZJPSMRFDDE-HXUWFJFHSA-N	1	0	317.473	3.842	40	0		DHABRO
c1ccc(CC[N@H+](Cc2ccncc2)Cc2ccccn2)cc1	ZINC000013990070	563547029	/nfs/dbraw/zinc/54/70/29/563547029.db2.gz	XOMFMNNPTONNKO-UHFFFAOYSA-N	1	0	303.409	3.722	40	0		DHABRO
COc1cc(-c2nc3ccccn3c2NC(C)(C)C)ccc1O	ZINC000000411923	563608079	/nfs/dbraw/zinc/60/80/79/563608079.db2.gz	VMCZBUFCIFQGCD-UHFFFAOYSA-N	1	0	311.385	3.926	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[N@@H+]1CCCC[C@H]1C	ZINC000008731556	563644211	/nfs/dbraw/zinc/64/42/11/563644211.db2.gz	WCRUZAIOHJLYKG-OAHLLOKOSA-N	1	0	305.418	3.541	40	0		DHABRO
O=C(OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc(Cl)cc1	ZINC000014983119	563675894	/nfs/dbraw/zinc/67/58/94/563675894.db2.gz	YIYUGJLYGWSLLU-ZBFHGGJFSA-N	1	0	307.821	3.761	40	0		DHABRO
CC1(C)[C@H](C[C@@H]2OC[C@@H](C[NH+]3CCCCC3)O2)[C@@H]2CC[C@H]1C2	ZINC000012318022	563711405	/nfs/dbraw/zinc/71/14/05/563711405.db2.gz	IUQYLYYXKZJRJM-CWQOZTLDSA-N	1	0	307.478	3.676	40	0		DHABRO
COCCC[NH2+]Cc1cc(C)n(Cc2ccccc2C)c1C	ZINC000223662449	563735107	/nfs/dbraw/zinc/73/51/07/563735107.db2.gz	MNPRWWAWYQBVJQ-UHFFFAOYSA-N	1	0	300.446	3.588	40	0		DHABRO
CCc1ccc(NC(=S)NCCC[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000225735924	563761798	/nfs/dbraw/zinc/76/17/98/563761798.db2.gz	YHDSFIKCZYUVLX-OAHLLOKOSA-N	1	0	319.518	3.657	40	0		DHABRO
Fc1ccc(Cc2cnc([C@H]3CCN(c4ccccn4)C3)o2)cc1	ZINC000257200749	563790038	/nfs/dbraw/zinc/79/00/38/563790038.db2.gz	AETGIRPGFNFBGP-HNNXBMFYSA-N	1	0	323.371	3.793	40	0		DHABRO
Cc1cnc(-c2cc([C@H]3CCC[N@@H+](C(C)C)C3)nc(C)n2)s1	ZINC000257262491	563792529	/nfs/dbraw/zinc/79/25/29/563792529.db2.gz	LLPMZCVFVLWWLW-AWEZNQCLSA-N	1	0	316.474	3.805	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CC2)[nH+]1	ZINC000329009103	563832787	/nfs/dbraw/zinc/83/27/87/563832787.db2.gz	LVRBEYUPUKPRJT-UHFFFAOYSA-N	1	0	322.456	3.911	40	0		DHABRO
CC[NH+]1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1	ZINC000216789617	563851861	/nfs/dbraw/zinc/85/18/61/563851861.db2.gz	LXWPYHHTRWNUQL-UHFFFAOYSA-N	1	0	321.424	3.632	40	0		DHABRO
O=C(/C=C/c1ccc(Cl)cc1)NCCC[NH+]1CCCCCC1	ZINC000010111092	563922596	/nfs/dbraw/zinc/92/25/96/563922596.db2.gz	SPRVBKAEYCDSPR-DHZHZOJOSA-N	1	0	320.864	3.736	40	0		DHABRO
Cc1cccc(OC[C@@H](O)C[NH+]2C(C)(C)CCCC2(C)C)c1	ZINC000002696119	563940462	/nfs/dbraw/zinc/94/04/62/563940462.db2.gz	IMXNKXMLNIVDSD-INIZCTEOSA-N	1	0	305.462	3.778	40	0		DHABRO
Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H]([NH3+])C1	ZINC000008624006	563949506	/nfs/dbraw/zinc/94/95/06/563949506.db2.gz	LKFCDJCHECSGNM-ZIAGYGMSSA-N	1	0	301.821	3.822	40	0	biogenic,in-vitro	DHABRO
CC(C)(C)OC(=O)N1c2ccc(Cl)cc2[C@H]2C[NH2+]CC[C@@H]21	ZINC000095635406	185382965	/nfs/dbraw/zinc/38/29/65/185382965.db2.gz	IZHFFHWVHONBQY-OCCSQVGLSA-N	1	0	308.809	3.541	40	0		DHABRO
Cc1ccccc1C[N@@H+]1CCC[C@@H]1c1cccc(-n2ccnc2)n1	ZINC000072366756	191137489	/nfs/dbraw/zinc/13/74/89/191137489.db2.gz	ZCIXBNJDXNNAEG-LJQANCHMSA-N	1	0	318.424	3.913	40	0		DHABRO
c1cn(-c2cccc(C3CC[NH+](Cc4ccccc4)CC3)n2)cn1	ZINC000072379093	191141227	/nfs/dbraw/zinc/14/12/27/191141227.db2.gz	IBGYHRXKGSVRAJ-UHFFFAOYSA-N	1	0	318.424	3.647	40	0		DHABRO
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000004011541	181061953	/nfs/dbraw/zinc/06/19/53/181061953.db2.gz	FMTHLQDBSCILBQ-NTZUZEMLSA-N	1	0	311.510	3.557	40	0		DHABRO
C[C@@H](C[NH+]1CCCC1)OC(=O)[C@H](c1ccccc1)[C@H]1C=CCC1	ZINC000004416229	181108002	/nfs/dbraw/zinc/10/80/02/181108002.db2.gz	KMIMUNJWKNUUOF-YTQUADARSA-N	1	0	313.441	3.764	40	0		DHABRO
CC(C)[C@H](COC(=O)c1ccc(N)cc1)[NH2+][C@H]1CCCC[C@@H]1C	ZINC000004825135	181157304	/nfs/dbraw/zinc/15/73/04/181157304.db2.gz	XTGSASTYPBHXBJ-WBAXXEDZSA-N	1	0	318.461	3.619	40	0		DHABRO
CCC[N@H+]1[C@@H]2CCC[C@H]1CC(NC(=S)Nc1ccccc1)C2	ZINC000004857057	181163848	/nfs/dbraw/zinc/16/38/48/181163848.db2.gz	BKPJKUIMKNLOFF-ALOPSCKCSA-N	1	0	317.502	3.769	40	0		DHABRO
C[C@H]1CCCC[N@@H+]1CC(=O)NC(c1ccccc1)c1ccccc1	ZINC000004968579	181181429	/nfs/dbraw/zinc/18/14/29/181181429.db2.gz	HUAVVMNRDYDBOF-KRWDZBQOSA-N	1	0	322.452	3.767	40	0		DHABRO
CC[C@H]1CC[C@H]2[C@H](CC[C@@]3([NH+](C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1	ZINC000005339252	181231668	/nfs/dbraw/zinc/23/16/68/181231668.db2.gz	JGYKCSORDIHDBG-GMZCJUQFSA-N	1	0	323.521	3.963	40	0		DHABRO
C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COc1ccc(C(C)(C)C)cc1	ZINC000005729927	181277787	/nfs/dbraw/zinc/27/77/87/181277787.db2.gz	JYAYGACMDBQVJS-SOLBZPMBSA-N	1	0	319.489	3.987	40	0		DHABRO
CC[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1)c1ccccc1	ZINC000006356121	181333892	/nfs/dbraw/zinc/33/38/92/181333892.db2.gz	QPXDBTYBCYZQBM-FFZOFVMBSA-N	1	0	313.441	3.866	40	0		DHABRO
CCc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1	ZINC000007027253	181432617	/nfs/dbraw/zinc/43/26/17/181432617.db2.gz	JJFHQWBRWQKELH-UHFFFAOYSA-N	1	0	319.518	3.657	40	0		DHABRO
CC(C)Cc1ncc(-c2nccnc2[C@@H]2CCC[N@H+](C)C2)s1	ZINC000257321566	203044993	/nfs/dbraw/zinc/04/49/93/203044993.db2.gz	WCEVAGSOBRGBTH-CYBMUJFWSA-N	1	0	316.474	3.608	40	0		DHABRO
Fc1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCCO2)cc1	ZINC000016449636	182044920	/nfs/dbraw/zinc/04/49/20/182044920.db2.gz	CCVZNTNGGAYUMJ-SFHVURJKSA-N	1	0	315.388	3.673	40	0		DHABRO
O=C(NCc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1	ZINC000018176841	182096425	/nfs/dbraw/zinc/09/64/25/182096425.db2.gz	YQXYJOSAILARHH-UHFFFAOYSA-N	1	0	309.413	3.604	40	0		DHABRO
COc1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(C)no2)ccc1O	ZINC000019120244	182105408	/nfs/dbraw/zinc/10/54/08/182105408.db2.gz	BNUNRMVRUYLRDA-OAHLLOKOSA-N	1	0	316.401	3.815	40	0		DHABRO
CCC[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000020038731	182183045	/nfs/dbraw/zinc/18/30/45/182183045.db2.gz	MCHXLEZGLRTCAK-INIZCTEOSA-N	1	0	302.462	3.837	40	0		DHABRO
COc1cc(C[NH2+]CCc2ccccc2)cc(Cl)c1OC	ZINC000022074382	182307873	/nfs/dbraw/zinc/30/78/73/182307873.db2.gz	XYAQTSSZIHFWBZ-UHFFFAOYSA-N	1	0	305.805	3.690	40	0		DHABRO
COc1ccc2ccccc2c1C[NH2+]C[C@H](O)c1ccccc1	ZINC000022076117	182308160	/nfs/dbraw/zinc/30/81/60/182308160.db2.gz	NHKBCGFFWHWTST-IBGZPJMESA-N	1	0	307.393	3.672	40	0		DHABRO
CCc1ccc(CN2CC[NH+](C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1	ZINC000022859918	182337275	/nfs/dbraw/zinc/33/72/75/182337275.db2.gz	KMYQSMSZAJOVQP-HBMCJLEFSA-N	1	0	310.485	3.579	40	0		DHABRO
Clc1ccc(-c2c[n+](-c3ccccc3)c3n2CCOC3)cc1	ZINC000027788636	182491719	/nfs/dbraw/zinc/49/17/19/182491719.db2.gz	SJDMVMCWWVYTRJ-UHFFFAOYSA-N	1	0	311.792	3.615	40	0		DHABRO
FC1(F)[C@H]2c3ccccc3[C@H]([n+]3ccncc3)c3ccccc3[C@H]21	ZINC000100031553	193793021	/nfs/dbraw/zinc/79/30/21/193793021.db2.gz	SNEMFWYESXXNAO-REPLKXPHSA-N	1	0	321.350	3.837	40	0	in-vitro	DHABRO
NNc1[nH+]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1	ZINC000039176239	183014700	/nfs/dbraw/zinc/01/47/00/183014700.db2.gz	PYBBKYJJFLTSDX-UHFFFAOYSA-N	1	0	319.343	3.512	40	0		DHABRO
CCOP(=O)(OCC)[C@@]1(CCc2ccccc2)CCC[NH2+]1	ZINC000065740227	184378391	/nfs/dbraw/zinc/37/83/91/184378391.db2.gz	CXXMSYDQTYFTPW-MRXNPFEDSA-N	1	0	311.362	3.965	40	0	in-vitro	DHABRO
Cc1cc(N(C)C)ncc1[C@@H]1CCCCN1C(=O)OC(C)(C)C	ZINC000072218708	257124391	/nfs/dbraw/zinc/12/43/91/257124391.db2.gz	RAGIZQPKTTXRSL-HNNXBMFYSA-N	1	0	319.449	3.918	40	0		DHABRO
CNc1cc(C)c([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1	ZINC000072219068	257124592	/nfs/dbraw/zinc/12/45/92/257124592.db2.gz	JUJFTINGESOAIJ-AWEZNQCLSA-N	1	0	305.422	3.894	40	0		DHABRO
CNc1ccc([C@H]2CCCCN2C(=O)c2ccccc2)c(C)n1	ZINC000072219137	257124634	/nfs/dbraw/zinc/12/46/34/257124634.db2.gz	VBNBIFZHOUVEMM-QGZVFWFLSA-N	1	0	309.413	3.799	40	0		DHABRO
C[N@@H+]1CCC[C@@H]1c1cccnc1N(C(=O)OC(C)(C)C)C1CC1	ZINC000072215368	257125979	/nfs/dbraw/zinc/12/59/79/257125979.db2.gz	CYRMQZWQBXZVQE-OAHLLOKOSA-N	1	0	317.433	3.752	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C	ZINC000072214498	257125999	/nfs/dbraw/zinc/12/59/99/257125999.db2.gz	AFQONVVXEXFGSM-HNNXBMFYSA-N	1	0	319.449	3.998	40	0		DHABRO
CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[N@@H+]1C	ZINC000072214723	257126229	/nfs/dbraw/zinc/12/62/29/257126229.db2.gz	ZYIOUUXCLLIKAQ-HNNXBMFYSA-N	1	0	319.449	4.000	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]C2)n1	ZINC000072209129	257128028	/nfs/dbraw/zinc/12/80/28/257128028.db2.gz	UBRFZROFCSZQGF-NSHDSACASA-N	1	0	321.808	3.644	40	0		DHABRO
C[NH2+][C@H](c1ccccc1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1	ZINC000072207695	257128252	/nfs/dbraw/zinc/12/82/52/257128252.db2.gz	PXDBZPAFECMRLS-HZPDHXFCSA-N	1	0	304.434	3.594	40	0		DHABRO
CC(C)(C)c1ccc(/C=C/C(=O)NCCC[NH+]2CCCC2)cc1	ZINC000010450008	257217983	/nfs/dbraw/zinc/21/79/83/257217983.db2.gz	BONTZPPGDHMSHV-FMIVXFBMSA-N	1	0	314.473	3.599	40	0		DHABRO
CCC[NH2+]Cc1cccc(OC)c1OCc1ccccc1F	ZINC000007262409	333003097	/nfs/dbraw/zinc/00/30/97/333003097.db2.gz	VEEQSVIIXSMXIU-UHFFFAOYSA-N	1	0	303.377	3.913	40	0		DHABRO
CCC[NH2+]Cc1cccc(OC)c1OCc1ccc(F)cc1	ZINC000007262406	333003146	/nfs/dbraw/zinc/00/31/46/333003146.db2.gz	CFTYPRDZDXKMOS-UHFFFAOYSA-N	1	0	303.377	3.913	40	0		DHABRO
C[NH+]1CCC(OC2c3ccccc3CCc3ccccc32)CC1	ZINC000001482083	563284832	/nfs/dbraw/zinc/28/48/32/563284832.db2.gz	MNIZCABHARMLFF-UHFFFAOYSA-N	1	0	307.437	3.985	40	0	in-man	DHABRO
C[NH+](C)CCOc1cc2c(c3ccccc13)-c1ccccc1[C@H]2O	ZINC000001618115	563287947	/nfs/dbraw/zinc/28/79/47/563287947.db2.gz	AMLZJBJUPQPFNG-OAQYLSRUSA-N	1	0	319.404	3.842	40	0		DHABRO
CC[N@H+](CCCNc1cc(OC)cc2cccnc21)C(C)C	ZINC000001656105	563289452	/nfs/dbraw/zinc/28/94/52/563289452.db2.gz	LUBNECYPTONMSA-UHFFFAOYSA-N	1	0	301.434	3.776	40	0		DHABRO
CC[N@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CCCCC1	ZINC000001760998	563295246	/nfs/dbraw/zinc/29/52/46/563295246.db2.gz	YWUSNXNSHJOUST-UHFFFAOYSA-N	1	0	307.434	3.867	40	0		DHABRO
CC(C)C[C@@H](C[NH+]1CCCC1)N(C)C(=O)OCc1ccccc1	ZINC000002525418	563307915	/nfs/dbraw/zinc/30/79/15/563307915.db2.gz	QKKDLYIXBVOROA-SFHVURJKSA-N	1	0	318.461	3.766	40	0		DHABRO
Cc1cc(F)cc(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)c1	ZINC000067802668	563334010	/nfs/dbraw/zinc/33/40/10/563334010.db2.gz	MTZJSTPNUDTHQD-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
Cc1ccc(NC(=S)NCCC[NH+]2CCC(C)CC2)cc1C	ZINC000007027246	563336003	/nfs/dbraw/zinc/33/60/03/563336003.db2.gz	QICUFERQOUNRFA-UHFFFAOYSA-N	1	0	319.518	3.712	40	0		DHABRO
Cc1ncc2c(n1)C[C@@H]1CC[C@H]2[N@@H+]1Cc1cn(C)c2ccccc12	ZINC000012143993	563363014	/nfs/dbraw/zinc/36/30/14/563363014.db2.gz	HSFDAADITFXNSR-MGPUTAFESA-N	1	0	318.424	3.539	40	0		DHABRO
Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@@H+]1Cc1cn(C)c2ccccc12	ZINC000012143994	563363277	/nfs/dbraw/zinc/36/32/77/563363277.db2.gz	HSFDAADITFXNSR-QRWLVFNGSA-N	1	0	318.424	3.539	40	0		DHABRO
CSc1ncc(C[NH2+]C2(c3ccccc3F)CCCC2)cn1	ZINC000012344724	563366834	/nfs/dbraw/zinc/36/68/34/563366834.db2.gz	YVFOPDXJFFWVDK-UHFFFAOYSA-N	1	0	317.433	3.897	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@H]([NH3+])c2ccccc2)CC1	ZINC000219389316	563375607	/nfs/dbraw/zinc/37/56/07/563375607.db2.gz	JAIJWTGWXNIDPS-INIZCTEOSA-N	1	0	304.434	3.724	40	0		DHABRO
O=C(/C=C/c1ccccc1Cl)NCCC[NH+]1CCCCCC1	ZINC000013674001	563385543	/nfs/dbraw/zinc/38/55/43/563385543.db2.gz	AGXBAFCUWIUWMR-ZHACJKMWSA-N	1	0	320.864	3.736	40	0		DHABRO
CC(C)CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000028220604	563430994	/nfs/dbraw/zinc/43/09/94/563430994.db2.gz	HSRPEUGEXWGWCQ-INIZCTEOSA-N	1	0	322.880	3.714	40	0		DHABRO
COc1ccc(C[N@H+](C)C[C@H](O)c2ccc(Cl)cc2)cc1	ZINC000031912127	563441331	/nfs/dbraw/zinc/44/13/31/563441331.db2.gz	QOWAEAOVVVVSBP-KRWDZBQOSA-N	1	0	305.805	3.514	40	0		DHABRO
CC[C@H](OC[C@@H](O)C[NH2+][C@H](C)c1ccccc1)c1ccccc1	ZINC000248261142	563480348	/nfs/dbraw/zinc/48/03/48/563480348.db2.gz	QPXDBTYBCYZQBM-UXPWSPDFSA-N	1	0	313.441	3.866	40	0		DHABRO
C[N@@H+]1CC[C@@H](NCc2ccccc2Cl)[C@H](c2ccccc2)C1	ZINC000072341605	563503720	/nfs/dbraw/zinc/50/37/20/563503720.db2.gz	MSHNPNGYEYSRMB-PKOBYXMFSA-N	1	0	314.860	3.918	40	0		DHABRO
Cc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3CC(C)C)C2)c(C)c1	ZINC000585102257	563516695	/nfs/dbraw/zinc/51/66/95/563516695.db2.gz	VSLLAZNIUYGVKZ-FQEVSTJZSA-N	1	0	314.473	3.640	40	0		DHABRO
C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)c(F)c1)CC2	ZINC000585100614	563516846	/nfs/dbraw/zinc/51/68/46/563516846.db2.gz	QASWQTOAYJNRLG-KRWDZBQOSA-N	1	0	324.827	3.570	40	0		DHABRO
CCOCC[C@H]1CCOC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585104669	563516992	/nfs/dbraw/zinc/51/69/92/563516992.db2.gz	KTQZAOGTXCAOEY-INIZCTEOSA-N	1	0	323.502	3.854	40	0		DHABRO
Cc1ccc(C[N@@H+]2C[C@H]3c4ccccc4[C@H](N(C)C)[C@H]3C2)s1	ZINC000096058312	563532203	/nfs/dbraw/zinc/53/22/03/563532203.db2.gz	RIHOELGKHNDUPQ-FHWLQOOXSA-N	1	0	312.482	3.888	40	0		DHABRO
CO[C@@H]1CC[N@H+](Cc2ccc(C)s2)[C@H]1Cc1ccccc1	ZINC000096061574	563532528	/nfs/dbraw/zinc/53/25/28/563532528.db2.gz	QSFPSSFAKWZRGN-ZWKOTPCHSA-N	1	0	301.455	3.889	40	0		DHABRO
CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1ccccc1	ZINC000096061658	563532698	/nfs/dbraw/zinc/53/26/98/563532698.db2.gz	UNVSAPKLPDXXFD-UXHICEINSA-N	1	0	312.457	3.805	40	0		DHABRO
O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2ccc(F)cc2)N1c1ccccc1	ZINC000096056618	563532757	/nfs/dbraw/zinc/53/27/57/563532757.db2.gz	NVUCVMYGGGMDFM-RTBURBONSA-N	1	0	324.399	3.596	40	0		DHABRO
CCN1C(=O)CC2(CC[NH+](Cc3ccco3)CC2)c2ccccc21	ZINC000096080217	563533513	/nfs/dbraw/zinc/53/35/13/563533513.db2.gz	VGGXDPOMXKDDID-UHFFFAOYSA-N	1	0	324.424	3.570	40	0		DHABRO
Cc1cccc(C[NH+]2CCC3(CC(OCC(C)C)C3)CC2)n1	ZINC000096159308	563534737	/nfs/dbraw/zinc/53/47/37/563534737.db2.gz	ASWDUPKIUNLTHP-UHFFFAOYSA-N	1	0	302.462	3.807	40	0		DHABRO
Cc1cc(OCC2(O)CC[NH+](C3CCC3)CC2)cc(C)c1Cl	ZINC000585281933	563540873	/nfs/dbraw/zinc/54/08/73/563540873.db2.gz	UQBWZBSRWOVIKY-UHFFFAOYSA-N	1	0	323.864	3.715	40	0		DHABRO
O[C@H]1[C@H](Oc2ccc(F)cc2)CCC[C@@H]1[NH2+]CC1CCCCC1	ZINC000585286149	563542821	/nfs/dbraw/zinc/54/28/21/563542821.db2.gz	VAZPAAFWZMZVHF-IPMKNSEASA-N	1	0	321.436	3.656	40	0		DHABRO
Cc1cccc(O[C@@H]2CCC[C@H]([NH+]3CCCCCCC3)[C@H]2O)c1	ZINC000585288713	563543442	/nfs/dbraw/zinc/54/34/42/563543442.db2.gz	INTANTKBFGJORU-XUVXKRRUSA-N	1	0	317.473	3.922	40	0		DHABRO
CC(C)OCCC[N@H+](Cc1cccs1)Cc1ccccn1	ZINC000013991070	563547009	/nfs/dbraw/zinc/54/70/09/563547009.db2.gz	RTBLRXZGJDALMT-UHFFFAOYSA-N	1	0	304.459	3.960	40	0		DHABRO
C[NH+](C)CCCN(Cc1ccco1)Cc1ccc2ccccc2n1	ZINC000013992874	563547347	/nfs/dbraw/zinc/54/73/47/563547347.db2.gz	JHNWQLHVCRSQKN-UHFFFAOYSA-N	1	0	323.440	3.782	40	0		DHABRO
Cc1ccc(C[NH2+]Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1	ZINC000013998582	563549485	/nfs/dbraw/zinc/54/94/85/563549485.db2.gz	XZVXFKVUBIXPJC-UHFFFAOYSA-N	1	0	306.409	3.743	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@H]1OC[C@@H](C[NH+]2CCCCC2)O1	ZINC000002293876	563621477	/nfs/dbraw/zinc/62/14/77/563621477.db2.gz	IUQYLYYXKZJRJM-PNKHAZJDSA-N	1	0	307.478	3.676	40	0		DHABRO
CCC[NH2+]Cc1ccc(OCc2ccccc2F)c(OC)c1	ZINC000007262365	563639852	/nfs/dbraw/zinc/63/98/52/563639852.db2.gz	RCUGZVIDPCYOFL-UHFFFAOYSA-N	1	0	303.377	3.913	40	0		DHABRO
CCOC(=O)c1ccc(-c2ccc(C[NH2+]CC(C)C)o2)cc1	ZINC000007520084	563640595	/nfs/dbraw/zinc/64/05/95/563640595.db2.gz	RGJZTGYLEKPYPC-UHFFFAOYSA-N	1	0	301.386	3.869	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000008731463	563644167	/nfs/dbraw/zinc/64/41/67/563644167.db2.gz	XBDRCLGZZUMWCI-HZPDHXFCSA-N	1	0	319.445	3.645	40	0		DHABRO
COc1ccccc1-c1nnc([C@H]2CC[N@H+](CCC(C)C)C2)o1	ZINC000049170025	563700911	/nfs/dbraw/zinc/70/09/11/563700911.db2.gz	NKNIQZJUAULAIT-AWEZNQCLSA-N	1	0	315.417	3.581	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C=O)ccc1OCCCC[N@@H+]1CCCC[C@H]1C	ZINC000217798769	563714729	/nfs/dbraw/zinc/71/47/29/563714729.db2.gz	MAPWXYHGHNHPJC-MRXNPFEDSA-N	1	0	319.445	3.931	40	0		DHABRO
CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)n1	ZINC000257227698	563790801	/nfs/dbraw/zinc/79/08/01/563790801.db2.gz	FQMQOAPBKDLIHM-GOSISDBHSA-N	1	0	310.445	3.506	40	0		DHABRO
CNc1cc([C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)ccn1	ZINC000257224397	563791028	/nfs/dbraw/zinc/79/10/28/563791028.db2.gz	FBQYTRCIJIQLDC-KRWDZBQOSA-N	1	0	320.396	3.582	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1	ZINC000257235356	563791581	/nfs/dbraw/zinc/79/15/81/563791581.db2.gz	GXMHMWOCXKXXDZ-HNNXBMFYSA-N	1	0	302.393	3.992	40	0		DHABRO
Cc1ccccc1O[C@@H]1CCCC[C@@H]1N1CC[NH2+][C@@H]2CCC[C@H]21	ZINC000218849320	563819242	/nfs/dbraw/zinc/81/92/42/563819242.db2.gz	FUJSTKVKXGEKGI-FTEYMNFISA-N	1	0	314.473	3.511	40	0		DHABRO
CC[N@@H+]1CCC[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)C1	ZINC000000057474	563820279	/nfs/dbraw/zinc/82/02/79/563820279.db2.gz	KTHVBAZBLKXIHZ-LJQANCHMSA-N	1	0	323.436	3.846	40	0	in-man	DHABRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)C[NH2+]C1CCCC1)C2	ZINC000035075027	563857909	/nfs/dbraw/zinc/85/79/09/563857909.db2.gz	ZBNAUCQADSOPHS-ITQYTPKQSA-N	1	0	309.494	3.501	40	0		DHABRO
CN1C(=O)CCCC[C@H]2[N@H+](Cc3ccccc3Cl)CC[C@]21C	ZINC000019713755	563922808	/nfs/dbraw/zinc/92/28/08/563922808.db2.gz	MPTKDMXRPPCRBT-SJLPKXTDSA-N	1	0	320.864	3.705	40	0		DHABRO
O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010371648	563927914	/nfs/dbraw/zinc/92/79/14/563927914.db2.gz	MMZKXUHMCCLEBY-QXAKKESOSA-N	1	0	312.457	3.591	40	0		DHABRO
CC(C)[N@@H+]1C[C@H](CCO)C(c2ccccc2)(c2ccccc2)C1	ZINC000001569147	568412305	/nfs/dbraw/zinc/41/23/05/568412305.db2.gz	XZTJWVOZRVENMA-FQEVSTJZSA-N	1	0	309.453	3.695	40	0		DHABRO
C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc(-c2cccnc2Cl)no1	ZINC000013992544	1022009463	/nfs/dbraw/zinc/00/94/63/1022009463.db2.gz	PNQYUOZSVJQINS-PHIMTYICSA-N	1	0	306.797	3.548	40	0		DHABRO
CCCn1cc(C[NH2+]C2(c3ccccc3OC)CCCC2)cn1	ZINC000012344509	190635823	/nfs/dbraw/zinc/63/58/23/190635823.db2.gz	MYRVJLIJZFRCLV-UHFFFAOYSA-N	1	0	313.445	3.861	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000226724862	201784235	/nfs/dbraw/zinc/78/42/35/201784235.db2.gz	FXMYFPOBYHRDNB-YESZJQIVSA-N	1	0	305.462	3.813	40	0		DHABRO
Cc1cc(C)nc([C@@H]2CC[N@H+](Cc3ccc4ncccc4c3)C2)n1	ZINC000072369683	191140001	/nfs/dbraw/zinc/14/00/01/191140001.db2.gz	OOXUUHKKYCPNNK-GOSISDBHSA-N	1	0	318.424	3.631	40	0		DHABRO
CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1	ZINC000072379134	191141639	/nfs/dbraw/zinc/14/16/39/191141639.db2.gz	LCAFLKJYMQACOZ-MRXNPFEDSA-N	1	0	324.472	3.952	40	0		DHABRO
Cc1ncccc1Oc1nccnc1C1CC[NH+](C(C)C)CC1	ZINC000072383512	191144042	/nfs/dbraw/zinc/14/40/42/191144042.db2.gz	JOEGMWORKJBMNC-UHFFFAOYSA-N	1	0	312.417	3.560	40	0		DHABRO
c1cnc2[nH]c(C3CCCC3)c(C[NH+]3CCSCC3)c2c1	ZINC000072393344	191148915	/nfs/dbraw/zinc/14/89/15/191148915.db2.gz	UGUDJZIJXYFULJ-UHFFFAOYSA-N	1	0	301.459	3.769	40	0		DHABRO
CCCC[NH+](CCCC)C[C@H](O)Cc1ccc(OCC)cc1	ZINC000001672740	180886238	/nfs/dbraw/zinc/88/62/38/180886238.db2.gz	BNXHRFRXIYQBSO-GOSISDBHSA-N	1	0	307.478	3.891	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000002694419	180947163	/nfs/dbraw/zinc/94/71/63/180947163.db2.gz	ZGDNITHMLAZCBL-IRXDYDNUSA-N	1	0	305.462	3.672	40	0		DHABRO
CC(C)[C@H](c1nnnn1C1CCCCC1)[NH+]1CCCCCC1	ZINC000004190505	181083754	/nfs/dbraw/zinc/08/37/54/181083754.db2.gz	HXCDVFLRVSWOGS-MRXNPFEDSA-N	1	0	305.470	3.751	40	0		DHABRO
Cc1cc(Cl)ccc1OC[C@@H](O)C[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000005049982	181196976	/nfs/dbraw/zinc/19/69/76/181196976.db2.gz	OUWLRPBCDXCDNQ-DZKIICNBSA-N	1	0	311.853	3.651	40	0		DHABRO
C[NH+](C)CC[C@H](CCc1ccccc1)OC(=O)c1ccccc1	ZINC000005573050	181258295	/nfs/dbraw/zinc/25/82/95/181258295.db2.gz	CURSGSSOOSTNLO-IBGZPJMESA-N	1	0	311.425	3.797	40	0		DHABRO
CC[NH+](CC)C[C@@H](OC(=O)c1ccc(N)cc1)c1ccccc1	ZINC000005840076	181288192	/nfs/dbraw/zinc/28/81/92/181288192.db2.gz	PEBXPUDNDKRUQN-GOSISDBHSA-N	1	0	312.413	3.509	40	0		DHABRO
COc1c(C)cccc1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000005981845	181303414	/nfs/dbraw/zinc/30/34/14/181303414.db2.gz	ZFWAFBJGFSZCRX-UHFFFAOYSA-N	1	0	324.424	3.852	40	0		DHABRO
CC[NH+](CC)CCCNC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000006205162	181319339	/nfs/dbraw/zinc/31/93/39/181319339.db2.gz	FUYUNMAFXRIFQX-UHFFFAOYSA-N	1	0	318.248	3.847	40	0		DHABRO
C[NH+](C)C[C@@H](CCC(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000006437109	181341362	/nfs/dbraw/zinc/34/13/62/181341362.db2.gz	JGWXFZSRRMKVOL-GOSISDBHSA-N	1	0	309.409	3.710	40	0		DHABRO
CN(C(=O)Cc1ccccc1)[C@@H](C[NH+]1CCCC1)c1ccccc1	ZINC000006625489	181362200	/nfs/dbraw/zinc/36/22/00/181362200.db2.gz	OVZWUDZIAAHNFG-FQEVSTJZSA-N	1	0	322.452	3.525	40	0	in-vitro	DHABRO
COCCC[NH2+]Cc1cc(C)n(Cc2ccc(Cl)cc2)c1C	ZINC000223664871	201650785	/nfs/dbraw/zinc/65/07/85/201650785.db2.gz	SNKTZEHOSSXGJS-UHFFFAOYSA-N	1	0	320.864	3.933	40	0		DHABRO
Cc1cncc(C2CC[NH+](Cc3cccc4cccnc43)CC2)n1	ZINC000257278694	203005357	/nfs/dbraw/zinc/00/53/57/203005357.db2.gz	ODGJMSYYWKWOCO-UHFFFAOYSA-N	1	0	318.424	3.713	40	0		DHABRO
CC(C)[N@H+](C)[C@@H]1CCN(Cc2ccco2)[C@H]1Cc1ccccc1	ZINC000096061656	193513581	/nfs/dbraw/zinc/51/35/81/193513581.db2.gz	OEYBVMNIVDWPJA-UXHICEINSA-N	1	0	312.457	3.805	40	0		DHABRO
C[C@H](C[NH+]1CCC(c2[nH]nc3ncccc32)CC1)c1ccccc1	ZINC000012220713	181741353	/nfs/dbraw/zinc/74/13/53/181741353.db2.gz	CVHUWIGFPOQGFU-OAHLLOKOSA-N	1	0	320.440	3.941	40	0		DHABRO
COc1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)ccc1O	ZINC000019120247	182105132	/nfs/dbraw/zinc/10/51/32/182105132.db2.gz	BNUNRMVRUYLRDA-HNNXBMFYSA-N	1	0	316.401	3.815	40	0		DHABRO
Clc1ccc(CN2CC[NH+]([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1	ZINC000019361712	182118787	/nfs/dbraw/zinc/11/87/87/182118787.db2.gz	IMWQSUXPHZJAIV-JZXOWHBKSA-N	1	0	304.865	3.646	40	0		DHABRO
Cc1c2ccccn2c(CN2CC[NH+](C)CC2)c1-c1ccccc1	ZINC000019681889	182136669	/nfs/dbraw/zinc/13/66/69/182136669.db2.gz	DSPJQDCDDXBRNP-UHFFFAOYSA-N	1	0	319.452	3.662	40	0		DHABRO
Cc1nn(C)cc1C[N@@H+]1CCC[C@@H](c2cc3ccccc3cn2)C1	ZINC000019583823	182132386	/nfs/dbraw/zinc/13/23/86/182132386.db2.gz	DJSIWXHDFNKWOY-GOSISDBHSA-N	1	0	320.440	3.656	40	0		DHABRO
COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038834220	183010971	/nfs/dbraw/zinc/01/09/71/183010971.db2.gz	KCRGJJJZWIXVLT-KRWDZBQOSA-N	1	0	324.424	3.546	40	0		DHABRO
COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1	ZINC000038834219	183011073	/nfs/dbraw/zinc/01/10/73/183011073.db2.gz	KCRGJJJZWIXVLT-QGZVFWFLSA-N	1	0	324.424	3.546	40	0		DHABRO
C=C1[NH+]=C(SC(C)C)N[C@H](c2ccccc2)C1C(=O)OCC	ZINC000408987129	257224670	/nfs/dbraw/zinc/22/46/70/257224670.db2.gz	DOIKNWAYUHSBTR-OAHLLOKOSA-N	1	0	318.442	3.666	40	0		DHABRO
CC(C)Oc1cc(N2CCOCC2)c(OC(C)C)cc1[N+]#N	ZINC000005138387	134469456	/nfs/dbraw/zinc/46/94/56/134469456.db2.gz	GMICNERLJRJXAS-UHFFFAOYSA-N	1	0	306.386	3.582	40	0		DHABRO
Cc1cc(C)c(C)c(OC[C@H](O)C[NH+]2[C@H](C)CCC[C@H]2C)c1	ZINC000016994353	333214809	/nfs/dbraw/zinc/21/48/09/333214809.db2.gz	OVTQEYBWPTYCTQ-JFIYKMOQSA-N	1	0	305.462	3.614	40	0		DHABRO
C[NH2+][C@@H]1CCCC[C@H]1N(C)C(=O)c1ccc(Cl)c(Cl)c1	ZINC000148234891	563606907	/nfs/dbraw/zinc/60/69/07/563606907.db2.gz	UOLMIGVJKXDEGR-ZIAGYGMSSA-N	1	0	315.244	3.596	40	0	in-vitro	DHABRO
Brc1ccc([C@@H]2C[C@@H]2C[NH+]2CCSCC2)cc1	ZINC000575424335	563856994	/nfs/dbraw/zinc/85/69/94/563856994.db2.gz	ZFJMTEABFKBRAP-OCCSQVGLSA-N	1	0	312.276	3.601	40	0		DHABRO
O=C(CC[NH+]1CCCC1)Nc1ccc(OCc2ccccc2)cc1	ZINC000000380730	563247685	/nfs/dbraw/zinc/24/76/85/563247685.db2.gz	WVACRQSIDOGFRJ-UHFFFAOYSA-N	1	0	324.424	3.690	40	0		DHABRO
CC[NH+](CC)CCOC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000001590761	563286983	/nfs/dbraw/zinc/28/69/83/563286983.db2.gz	OYFCCEIURUOVCE-UHFFFAOYSA-N	1	0	305.205	3.884	40	0		DHABRO
CCOC(=O)c1c(C)[nH]c(C[NH2+][C@@H](C)c2ccccc2)c1C	ZINC000001679633	563290444	/nfs/dbraw/zinc/29/04/44/563290444.db2.gz	IVGXWYFHTIPERG-ZDUSSCGKSA-N	1	0	300.402	3.659	40	0		DHABRO
CCCC[NH+]1CCC(COC(=O)c2cccc3cc[nH]c32)CC1	ZINC000001886912	563297212	/nfs/dbraw/zinc/29/72/12/563297212.db2.gz	NQMDYRXSHPAJKM-UHFFFAOYSA-N	1	0	314.429	3.837	40	0		DHABRO
C[C@@H]1CC(C)(C)N(C(=O)C[NH2+]C2CCCC2)c2ccccc21	ZINC000035311379	563331942	/nfs/dbraw/zinc/33/19/42/563331942.db2.gz	CHCFMQIVMMNEOY-CQSZACIVSA-N	1	0	300.446	3.838	40	0		DHABRO
CC[N@H+](C[C@H](O)COc1ccccc1Cl)C1CCCCC1	ZINC000006325613	563332198	/nfs/dbraw/zinc/33/21/98/563332198.db2.gz	GOAMOCOXJKKHLJ-HNNXBMFYSA-N	1	0	311.853	3.734	40	0		DHABRO
C[C@@H](O)C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21	ZINC000008535042	563347158	/nfs/dbraw/zinc/34/71/58/563347158.db2.gz	HQIIIXLJDAIIOS-MRXNPFEDSA-N	1	0	321.420	3.889	40	0		DHABRO
COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2cccnc2)cc1	ZINC000012085385	563361589	/nfs/dbraw/zinc/36/15/89/563361589.db2.gz	AWCDBPOHAKXSBK-SQGPQFPESA-N	1	0	324.424	3.522	40	0		DHABRO
Fc1cccc(Cn2c(C3CC[NH2+]CC3)cc3cccnc32)c1	ZINC000012228446	563364566	/nfs/dbraw/zinc/36/45/66/563364566.db2.gz	JDEYJDDSTZKKMS-UHFFFAOYSA-N	1	0	309.388	3.691	40	0		DHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cc1	ZINC000032461895	563442809	/nfs/dbraw/zinc/44/28/09/563442809.db2.gz	UUNSCIJGWCUKCH-UHFFFAOYSA-N	1	0	308.425	3.521	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COc2ccccc2C(C)(C)C)C1	ZINC000012170269	563480259	/nfs/dbraw/zinc/48/02/59/563480259.db2.gz	VMQLBGCPIVMCQJ-IXDOHACOSA-N	1	0	319.489	3.702	40	0		DHABRO
CNc1cccc(CC[C@H]2CCCCN2C(=O)C2CCCC2)n1	ZINC000585177160	563525706	/nfs/dbraw/zinc/52/57/06/563525706.db2.gz	HWTQZWWDPFQTJT-QGZVFWFLSA-N	1	0	315.461	3.627	40	0		DHABRO
c1cc(CN2CC3(C2)CC[N@H+](Cc2ccsc2)C3)cs1	ZINC000096046482	563532347	/nfs/dbraw/zinc/53/23/47/563532347.db2.gz	SIGINFWLOWLZFR-UHFFFAOYSA-N	1	0	304.484	3.518	40	0		DHABRO
O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2ccsc2)N1c1ccccc1	ZINC000096056615	563532450	/nfs/dbraw/zinc/53/24/50/563532450.db2.gz	JQNYKFFYIBZMMY-IAGOWNOFSA-N	1	0	312.438	3.518	40	0		DHABRO
CN(C)C(=O)CC1CCC2(CC1)CC[NH+](Cc1ccco1)CC2	ZINC000096049266	563532620	/nfs/dbraw/zinc/53/26/20/563532620.db2.gz	XEIBQIWRINVXMF-UHFFFAOYSA-N	1	0	318.461	3.530	40	0		DHABRO
CC(C)[N@H+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cccnc3)C[C@@H]21	ZINC000096058325	563532639	/nfs/dbraw/zinc/53/26/39/563532639.db2.gz	YNTUNVVOQDZLPY-ACRUOGEOSA-N	1	0	321.468	3.692	40	0		DHABRO
[NH3+]C[C@@H](NC(=O)OCc1ccccc1)c1ccc2ccccc2c1	ZINC000096295490	563536400	/nfs/dbraw/zinc/53/64/00/563536400.db2.gz	ODGSWXASIYSMHB-LJQANCHMSA-N	1	0	320.392	3.766	40	0		DHABRO
CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1OCc1ccccc1	ZINC000008326318	563642387	/nfs/dbraw/zinc/64/23/87/563642387.db2.gz	ODNXQJXEAWVLML-KRWDZBQOSA-N	1	0	319.832	3.780	40	0		DHABRO
COc1ccc(C[NH2+][C@H](C)c2ccccc2)c(OC)c1OC	ZINC000008535330	563643527	/nfs/dbraw/zinc/64/35/27/563643527.db2.gz	SJXKXZOMERWMTI-CYBMUJFWSA-N	1	0	301.386	3.563	40	0		DHABRO
CC(C)(C)c1ccc(C(=O)NCCC[NH+]2CCCCCC2)cc1	ZINC000010111080	563647098	/nfs/dbraw/zinc/64/70/98/563647098.db2.gz	MFIMJOUQCIHGIW-UHFFFAOYSA-N	1	0	316.489	3.980	40	0		DHABRO
c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)cc1	ZINC000049169281	563701208	/nfs/dbraw/zinc/70/12/08/563701208.db2.gz	KOJJEGRQCQNLBA-KRWDZBQOSA-N	1	0	305.381	3.726	40	0	biogenic,in-vitro	DHABRO
CCOc1cc(C[NH2+]CCCOC)ccc1OC1CCCC1	ZINC000225157837	563749767	/nfs/dbraw/zinc/74/97/67/563749767.db2.gz	COWHHYVIJTZYSV-UHFFFAOYSA-N	1	0	307.434	3.533	40	0		DHABRO
CC(C)[C@H](C)NC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000225219845	563750381	/nfs/dbraw/zinc/75/03/81/563750381.db2.gz	KQHVQLQFCSWEST-AWEZNQCLSA-N	1	0	322.880	3.713	40	0		DHABRO
CN1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3cccs3)C[C@@H]12	ZINC000248084139	563782737	/nfs/dbraw/zinc/78/27/37/563782737.db2.gz	AXBXJEBMMWIAMQ-MOPGFXCFSA-N	1	0	312.482	3.596	40	0		DHABRO
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3cccc(C(F)(F)F)c3)C2)n1	ZINC000257220301	563790698	/nfs/dbraw/zinc/79/06/98/563790698.db2.gz	DKHXYHFKDQLUGA-CQSZACIVSA-N	1	0	323.362	3.737	40	0		DHABRO
Cc1nc(N2CCc3cc(Cl)ccc3C2)cc(NC2CC2)[nH+]1	ZINC000328982786	563832652	/nfs/dbraw/zinc/83/26/52/563832652.db2.gz	HCGREAFHHROPRA-UHFFFAOYSA-N	1	0	314.820	3.575	40	0		DHABRO
CNc1cc(N2Cc3ccccc3C(C)(C)C2)nc(C2CC2)[nH+]1	ZINC000328971688	563832777	/nfs/dbraw/zinc/83/27/77/563832777.db2.gz	DSKCKMUVBZFFAS-UHFFFAOYSA-N	1	0	308.429	3.694	40	0		DHABRO
Cc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC2CC2)[nH+]1	ZINC000328994429	563832822	/nfs/dbraw/zinc/83/28/22/563832822.db2.gz	JDQUNNWOYDUTCX-UHFFFAOYSA-N	1	0	308.429	3.657	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CC2)[nH+]1	ZINC000329058528	563834013	/nfs/dbraw/zinc/83/40/13/563834013.db2.gz	WDPWPBCALHQJFI-ZDUSSCGKSA-N	1	0	308.429	3.565	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC([NH3+])(Cc2cccc(Cl)c2)CC1	ZINC000098213812	563840089	/nfs/dbraw/zinc/84/00/89/563840089.db2.gz	GICZWCGAMHUJMD-UHFFFAOYSA-N	1	0	324.852	3.611	40	0		DHABRO
COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(C)cc4)C3)nc2c1	ZINC000035446794	563867224	/nfs/dbraw/zinc/86/72/24/563867224.db2.gz	VZNVEPRUQCMHSW-INIZCTEOSA-N	1	0	321.424	3.869	40	0	biogenic,in-vitro	DHABRO
CC1(C)[C@@H]2CC[C@@H](C2)[C@@H]1C[C@@H]1OC[C@@H](C[NH+]2CCCCC2)O1	ZINC000012436769	563920970	/nfs/dbraw/zinc/92/09/70/563920970.db2.gz	IUQYLYYXKZJRJM-OBVSXPTNSA-N	1	0	307.478	3.676	40	0		DHABRO
CC[NH+](CC)CCCNc1cccc2c(C)cc(OC)nc12	ZINC000001568073	568412264	/nfs/dbraw/zinc/41/22/64/568412264.db2.gz	PURMODGRWVXFMC-UHFFFAOYSA-N	1	0	301.434	3.696	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@H]([NH3+])c2cccc(F)c2)CC1	ZINC000255190701	1019335904	/nfs/dbraw/zinc/33/59/04/1019335904.db2.gz	YXDHNTKODIUZCX-INIZCTEOSA-N	1	0	322.424	3.863	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@@H]([NH3+])c2cccc(F)c2)CC1	ZINC000255190702	1019336389	/nfs/dbraw/zinc/33/63/89/1019336389.db2.gz	YXDHNTKODIUZCX-MRXNPFEDSA-N	1	0	322.424	3.863	40	0		DHABRO
COc1ccc2[nH]cc(CC[NH2+]Cc3ccc(Cl)cc3)c2c1	ZINC000409418978	1028726208	/nfs/dbraw/zinc/72/62/08/1028726208.db2.gz	JNZJYARHCAUAJD-KRWDZBQOSA-N	1	0	314.816	3.875	40	0		DHABRO
C[NH+]1CCC(C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	ZINC000074713411	185011628	/nfs/dbraw/zinc/01/16/28/185011628.db2.gz	AGYXYDWOVDIBJE-UHFFFAOYSA-N	1	0	310.397	3.759	40	0		DHABRO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1	ZINC000000568268	190615535	/nfs/dbraw/zinc/61/55/35/190615535.db2.gz	CESFICKXMILQEF-UHFFFAOYSA-N	1	0	300.377	3.920	40	0		DHABRO
C[C@H](c1ccccn1)[N@@H+]1CCCC[C@@H]1CNC(=O)OC(C)(C)C	ZINC000072203935	191076150	/nfs/dbraw/zinc/07/61/50/191076150.db2.gz	AZUVUIZQXCYECR-HUUCEWRRSA-N	1	0	319.449	3.522	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1ccccc1	ZINC000225579893	186279829	/nfs/dbraw/zinc/27/98/29/186279829.db2.gz	QTBIZHCIPOCXGR-INIZCTEOSA-N	1	0	305.491	3.628	40	0		DHABRO
c1cn(-c2cccc([C@H]3CCC[N@H+]3Cc3ccccc3)n2)cn1	ZINC000072355455	191128954	/nfs/dbraw/zinc/12/89/54/191128954.db2.gz	LWRXQJMDJMUFGO-GOSISDBHSA-N	1	0	304.397	3.604	40	0		DHABRO
Cc1ccc(C[N@@H+]2CCC[C@H]2c2cccc(-n3ccnc3)n2)o1	ZINC000072366755	191136735	/nfs/dbraw/zinc/13/67/35/191136735.db2.gz	NTYRXICVRXATBU-KRWDZBQOSA-N	1	0	308.385	3.506	40	0		DHABRO
CCn1c(C=CN(C(C)=O)c2ccccc2)[o+]c2ccccc21	ZINC000000294903	180750502	/nfs/dbraw/zinc/75/05/02/180750502.db2.gz	NQTXPVKTJIZKTC-UHFFFAOYSA-N	1	0	307.373	3.764	40	0		DHABRO
C[C@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cccc(F)c1	ZINC000003314827	181003460	/nfs/dbraw/zinc/00/34/60/181003460.db2.gz	SWTLROFEBUFYHZ-CQSZACIVSA-N	1	0	301.361	3.503	40	0		DHABRO
CCCCOc1ccc(C(=O)O[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000003902194	181055076	/nfs/dbraw/zinc/05/50/76/181055076.db2.gz	RIKXLROQYQSOHV-MPGHIAIKSA-N	1	0	319.445	3.751	40	0		DHABRO
CC(C)[C@H](COC(=O)c1ccc(N)cc1)[NH2+][C@@H]1CCCC[C@@H]1C	ZINC000004825137	181157278	/nfs/dbraw/zinc/15/72/78/181157278.db2.gz	XTGSASTYPBHXBJ-QGTPRVQTSA-N	1	0	318.461	3.619	40	0		DHABRO
C[NH+](C)[C@H]1c2ccccc2-c2ccc(NC(=O)C(F)(F)F)cc21	ZINC000004975126	181182355	/nfs/dbraw/zinc/18/23/55/181182355.db2.gz	NQIVGJNQMGRQER-HNNXBMFYSA-N	1	0	320.314	3.819	40	0		DHABRO
CCC[C@H](C[NH2+]C1CCCCC1)OC(=O)c1ccc(N)cc1	ZINC000005839122	181288187	/nfs/dbraw/zinc/28/81/87/181288187.db2.gz	RBYCFFUXGBVXCR-QGZVFWFLSA-N	1	0	304.434	3.517	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCCC[C@@H]1C	ZINC000006356052	181333972	/nfs/dbraw/zinc/33/39/72/181333972.db2.gz	XPSYBIYXGAGNCI-YESZJQIVSA-N	1	0	305.462	3.814	40	0		DHABRO
CC[C@@H](C)C[N@@H+]1CCc2c(c3c(c(OC)c2OC)CCC3)C1	ZINC000006411713	181339111	/nfs/dbraw/zinc/33/91/11/181339111.db2.gz	SHQNLVNFWJVLHR-CYBMUJFWSA-N	1	0	303.446	3.597	40	0		DHABRO
CC(C)c1ccccc1OC[C@@H](O)C[NH+]1[C@H](C)CCC[C@H]1C	ZINC000006455204	181342041	/nfs/dbraw/zinc/34/20/41/181342041.db2.gz	FXMYFPOBYHRDNB-ZACQAIPSSA-N	1	0	305.462	3.813	40	0		DHABRO
CC[NH+](CC)CCNC(=S)Nc1ccc(Cl)c(Cl)c1	ZINC000006462786	181342693	/nfs/dbraw/zinc/34/26/93/181342693.db2.gz	RNBAZQNNEKJGGJ-UHFFFAOYSA-N	1	0	320.289	3.622	40	0		DHABRO
CCOc1cc(CNc2[nH+]cc(-c3ccccc3)n2C)ccc1O	ZINC000006605904	181360307	/nfs/dbraw/zinc/36/03/07/181360307.db2.gz	OOQQXCLWBRDBBU-UHFFFAOYSA-N	1	0	323.396	3.804	40	0		DHABRO
CCOc1cc(C[NH2+]C[C@H]2CCCO2)ccc1OC1CCCC1	ZINC000225158094	201689988	/nfs/dbraw/zinc/68/99/88/201689988.db2.gz	AWPLRKNXUDOROE-QGZVFWFLSA-N	1	0	319.445	3.675	40	0		DHABRO
Cc1cncc([C@@H]2CCC[N@@H+]2Cc2c[nH]nc2-c2ccccc2)n1	ZINC000257299949	203025315	/nfs/dbraw/zinc/02/53/15/203025315.db2.gz	RSHFJBYLFOPZSP-SFHVURJKSA-N	1	0	319.412	3.512	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCC[NH2+][C@H]3C[C@@H]21	ZINC000257324469	203049688	/nfs/dbraw/zinc/04/96/88/203049688.db2.gz	WOULBJNZQBOPOU-DARAHFNDSA-N	1	0	307.821	3.709	40	0		DHABRO
CC(C)n1nccc1-c1ccc(C[C@H]2CC[N@@H+](C(C)C)C2)cn1	ZINC000257341755	203064908	/nfs/dbraw/zinc/06/49/08/203064908.db2.gz	ZLVYMUJCSCONOQ-QGZVFWFLSA-N	1	0	312.461	3.799	40	0		DHABRO
CC(C)n1nccc1-c1ccc(C[C@@H]2CC[N@@H+](C(C)C)C2)cn1	ZINC000257341754	203065892	/nfs/dbraw/zinc/06/58/92/203065892.db2.gz	ZLVYMUJCSCONOQ-KRWDZBQOSA-N	1	0	312.461	3.799	40	0		DHABRO
c1ccc([C@H]2CC[NH2+][C@@H]3CCCCN(Cc4ccncc4)[C@H]23)cc1	ZINC000019373935	182120763	/nfs/dbraw/zinc/12/07/63/182120763.db2.gz	BZERCXLDEJTNSQ-NJDAHSKKSA-N	1	0	321.468	3.582	40	0		DHABRO
COc1ccc(Cn2c([C@H]3CCC[NH2+]C3)cc3cccnc32)cc1	ZINC000019555998	182130488	/nfs/dbraw/zinc/13/04/88/182130488.db2.gz	QJADJHZHIJQITA-KRWDZBQOSA-N	1	0	321.424	3.560	40	0		DHABRO
COc1cccc(Cn2c([C@H]3CCC[NH2+]C3)cc3cccnc32)c1	ZINC000019565727	182130622	/nfs/dbraw/zinc/13/06/22/182130622.db2.gz	UQVXEDOCGSTDLK-KRWDZBQOSA-N	1	0	321.424	3.560	40	0		DHABRO
CN(C)c1ncc(C[N@@H+]2CCCC[C@@H]2CCc2ccccc2)cn1	ZINC000019585525	182132467	/nfs/dbraw/zinc/13/24/67/182132467.db2.gz	XLYXVIUTSXOFJR-LJQANCHMSA-N	1	0	324.472	3.530	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1ccccc1)Cc1ccncc1	ZINC000023247750	182354897	/nfs/dbraw/zinc/35/48/97/182354897.db2.gz	KKELUAQJFRRDDP-FQEVSTJZSA-N	1	0	309.457	3.568	40	0		DHABRO
COc1ccc(C[C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1OC	ZINC000024717778	182388713	/nfs/dbraw/zinc/38/87/13/182388713.db2.gz	YTQGNJREACYOPU-KRWDZBQOSA-N	1	0	322.408	3.615	40	0		DHABRO
CC(C)[C@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C	ZINC000037817057	182928511	/nfs/dbraw/zinc/92/85/11/182928511.db2.gz	WPRYWCOBIGKQKG-AWEZNQCLSA-N	1	0	317.260	3.714	40	0		DHABRO
Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c1	ZINC000038833211	183011133	/nfs/dbraw/zinc/01/11/33/183011133.db2.gz	NFAMFWNPWBXNNM-GOSISDBHSA-N	1	0	308.425	3.846	40	0		DHABRO
CC1CCN(C(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)CC1	ZINC000038835708	183011500	/nfs/dbraw/zinc/01/15/00/183011500.db2.gz	AJEWILLVKAYXNT-UHFFFAOYSA-N	1	0	314.473	3.791	40	0		DHABRO
Cc1cccc(NC(=S)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1	ZINC000044140376	183396448	/nfs/dbraw/zinc/39/64/48/183396448.db2.gz	HMTMGBVSHNOJNC-HOTGVXAUSA-N	1	0	319.518	3.649	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1	ZINC000072209137	257127801	/nfs/dbraw/zinc/12/78/01/257127801.db2.gz	ZGUXBGQEUVEYCY-ZDUSSCGKSA-N	1	0	321.808	3.993	40	0		DHABRO
OC[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCCC1	ZINC000070453343	257128356	/nfs/dbraw/zinc/12/83/56/257128356.db2.gz	JZABXBFHQGMQOR-HXUWFJFHSA-N	1	0	311.425	3.785	40	0		DHABRO
Cc1ccc2nc(-c3cc(Br)c[n+](C)c3)sc2c1	ZINC000226773346	563605354	/nfs/dbraw/zinc/60/53/54/563605354.db2.gz	IVBJYKPOWSOOSI-UHFFFAOYSA-N	1	0	320.235	3.859	40	0		DHABRO
C[N@H+]1[C@@H]2CC[C@H]1CC(OC(=O)c1cc(Cl)cc(Cl)c1)C2	ZINC000000033131	563211233	/nfs/dbraw/zinc/21/12/33/563211233.db2.gz	MNJNPLVXBISNSX-PBWFPOADSA-N	1	0	314.212	3.775	40	0	in-man	DHABRO
CCCCOc1ccc(C[C@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1	ZINC000001597146	563286752	/nfs/dbraw/zinc/28/67/52/563286752.db2.gz	CAYFNLUNTXBSSB-WMZOPIPTSA-N	1	0	305.462	3.643	40	0		DHABRO
CC[NH+](CC)CCCNC(=O)C(c1ccccc1)c1ccccc1	ZINC000001848463	563296146	/nfs/dbraw/zinc/29/61/46/563296146.db2.gz	KYNMLOIKAXXFMV-UHFFFAOYSA-N	1	0	324.468	3.667	40	0		DHABRO
C[NH+]1CCC(=C2c3ccsc3C[C@H](O)c3ccccc32)CC1	ZINC000001859126	563296809	/nfs/dbraw/zinc/29/68/09/563296809.db2.gz	ZSHTUWQHLKCHLO-KRWDZBQOSA-N	1	0	311.450	3.865	40	0		DHABRO
CC(C)(CO)[NH2+]Cc1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000006883150	563334712	/nfs/dbraw/zinc/33/47/12/563334712.db2.gz	XCRMGPHCRSIBGH-UHFFFAOYSA-N	1	0	319.832	3.780	40	0		DHABRO
Cc1ncc2c(n1)C[C@H]1CC[C@@H]2[N@H+]1Cc1ccnc2ccccc12	ZINC000012143990	563363313	/nfs/dbraw/zinc/36/33/13/563363313.db2.gz	JFJSCFXWVWMKMH-QRWLVFNGSA-N	1	0	316.408	3.595	40	0		DHABRO
C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COc1ccc(C(C)(C)C)cc1	ZINC000012417720	563424524	/nfs/dbraw/zinc/42/45/24/563424524.db2.gz	JYAYGACMDBQVJS-JZXOWHBKSA-N	1	0	319.489	3.987	40	0		DHABRO
C[C@@H]1C[C@H](OC[C@H](O)C[N@H+](C)C2CCCCC2)CC(C)(C)C1	ZINC000037530287	563457824	/nfs/dbraw/zinc/45/78/24/563457824.db2.gz	SVDPJYRFEFQLLO-NXHRZFHOSA-N	1	0	311.510	3.843	40	0		DHABRO
COc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)cc1	ZINC000096049300	563532181	/nfs/dbraw/zinc/53/21/81/563532181.db2.gz	KMKXMLDEYXJRKW-UHFFFAOYSA-N	1	0	314.473	3.536	40	0		DHABRO
c1coc(C[N@H+]2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)c1	ZINC000096061583	563532336	/nfs/dbraw/zinc/53/23/36/563532336.db2.gz	LJFIOMAENHKCML-VQTJNVASSA-N	1	0	311.425	3.892	40	0		DHABRO
CCOC[C@H]1COCCC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096106393	563533111	/nfs/dbraw/zinc/53/31/11/563533111.db2.gz	PVRATHAPZBCMPG-INIZCTEOSA-N	1	0	323.502	3.712	40	0		DHABRO
c1ccc2c(c1)[C@H](c1cncnc1)CC21CC[NH+](CC2CC2)CC1	ZINC000096079261	563533263	/nfs/dbraw/zinc/53/32/63/563533263.db2.gz	QRCBRHDAQQSDGK-IBGZPJMESA-N	1	0	319.452	3.756	40	0		DHABRO
CCCC(=O)N1CCC2(CCC[N@@H+]2Cc2ccc(F)cc2)CC1	ZINC000096075313	563533284	/nfs/dbraw/zinc/53/32/84/563533284.db2.gz	HRFGEFXKHNCNSV-UHFFFAOYSA-N	1	0	318.436	3.583	40	0		DHABRO
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2O)c1	ZINC000585288851	563542745	/nfs/dbraw/zinc/54/27/45/563542745.db2.gz	KFQYNTOBEUQEGP-XUVXKRRUSA-N	1	0	317.473	3.826	40	0		DHABRO
O[C@H]1[C@H](Oc2ccccc2)CCC[C@@H]1[NH2+]CC1CCCCC1	ZINC000585288680	563543396	/nfs/dbraw/zinc/54/33/96/563543396.db2.gz	HJHCOXQPUZMFAX-IPMKNSEASA-N	1	0	303.446	3.517	40	0		DHABRO
c1cc(C[N@H+]2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)cs1	ZINC000107751972	563567133	/nfs/dbraw/zinc/56/71/33/563567133.db2.gz	WMUHCITWGNZEDZ-ROUUACIJSA-N	1	0	321.486	3.546	40	0		DHABRO
CC[n+]1cc(Br)cc(-c2nc3ccc(C)cc3o2)c1	ZINC000226774713	563605173	/nfs/dbraw/zinc/60/51/73/563605173.db2.gz	UZSNOHYMPFVJBK-UHFFFAOYSA-N	1	0	318.194	3.873	40	0		DHABRO
Fc1ccccc1C[n+]1cccc(-c2nc3ccccc3o2)c1	ZINC000226307963	563605477	/nfs/dbraw/zinc/60/54/77/563605477.db2.gz	GOGXJRWHLFSKET-UHFFFAOYSA-N	1	0	305.332	3.970	40	0		DHABRO
O[C@H](C[N@@H+]1CCc2ccccc2C1)c1ccc2ccccc2c1	ZINC000001600852	563633934	/nfs/dbraw/zinc/63/39/34/563633934.db2.gz	LVJSAEQFGSKBLO-OAQYLSRUSA-N	1	0	303.405	3.932	40	0		DHABRO
CCCC[NH+](CCCC)CCCN1C(=O)c2ccccc2C1=O	ZINC000001621831	563634013	/nfs/dbraw/zinc/63/40/13/563634013.db2.gz	LHKZGDKIESLRQO-UHFFFAOYSA-N	1	0	316.445	3.575	40	0		DHABRO
COCC[NH2+]Cc1cccc(OCc2ccccc2Cl)c1	ZINC000008469236	563643439	/nfs/dbraw/zinc/64/34/39/563643439.db2.gz	KBQWQEYMLBZAHR-UHFFFAOYSA-N	1	0	305.805	3.655	40	0		DHABRO
COCC[NH2+]Cc1cc(Cl)ccc1OCc1ccc(F)cc1	ZINC000008469107	563643660	/nfs/dbraw/zinc/64/36/60/563643660.db2.gz	DXYHAYGYXYCSAK-UHFFFAOYSA-N	1	0	323.795	3.794	40	0		DHABRO
Nc1ccc2[nH]c(CCCCc3nc4ccccc4[nH]3)[nH+]c2c1	ZINC000013119431	563657346	/nfs/dbraw/zinc/65/73/46/563657346.db2.gz	WPMYFTCNGLGMAF-UHFFFAOYSA-N	1	0	305.385	3.587	40	0		DHABRO
CC(C)[C@H](C)NC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000225213890	563750287	/nfs/dbraw/zinc/75/02/87/563750287.db2.gz	PXANPXARFXANLY-INIZCTEOSA-N	1	0	302.462	3.693	40	0		DHABRO
Cc1c[nH]c(-c2cncc([C@@H]3CCC[N@@H+]3Cc3ccccc3)n2)n1	ZINC000257224621	563790761	/nfs/dbraw/zinc/79/07/61/563790761.db2.gz	FCPAKRRUOKFJPD-SFHVURJKSA-N	1	0	319.412	3.512	40	0		DHABRO
Cc1cncc(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)n1	ZINC000257239448	563791332	/nfs/dbraw/zinc/79/13/32/563791332.db2.gz	HPHHDDYDGFBAPP-UHFFFAOYSA-N	1	0	318.424	3.713	40	0		DHABRO
CC(C)n1nccc1-c1cc(C[C@H]2CC[N@@H+](C(C)C)C2)ccn1	ZINC000257325299	563792418	/nfs/dbraw/zinc/79/24/18/563792418.db2.gz	WSIKFYVOQGZJCX-QGZVFWFLSA-N	1	0	312.461	3.799	40	0		DHABRO
CNc1cc(N2Cc3ccccc3CC2(C)C)nc(C(C)C)[nH+]1	ZINC000328966956	563832672	/nfs/dbraw/zinc/83/26/72/563832672.db2.gz	CPNYWKYUIURXFG-UHFFFAOYSA-N	1	0	310.445	3.983	40	0		DHABRO
C[C@@H]1C[NH+](C[C@@H]2C[C@@H]2c2ccc(Br)cc2)C[C@@H](C)O1	ZINC000575421951	563857066	/nfs/dbraw/zinc/85/70/66/563857066.db2.gz	DDYRRJSHTGELEI-UNIGVISCSA-N	1	0	324.262	3.662	40	0		DHABRO
O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010371652	563927930	/nfs/dbraw/zinc/92/79/30/563927930.db2.gz	MMZKXUHMCCLEBY-UHOSZYNNSA-N	1	0	312.457	3.591	40	0		DHABRO
CC[N@H+](C)[C@@H]1CN(C(=O)c2ccccc2)C2(C1)CCCCC2	ZINC000019704914	563930558	/nfs/dbraw/zinc/93/05/58/563930558.db2.gz	IRAJNVRXTZLCIM-KRWDZBQOSA-N	1	0	300.446	3.556	40	0		DHABRO
CCc1cc(N2Cc3ccccc3C(C)(C)C2)nc(NC(C)C)[nH+]1	ZINC000329041277	563960343	/nfs/dbraw/zinc/96/03/43/563960343.db2.gz	SHMQQQDRRJXGCV-UHFFFAOYSA-N	1	0	324.472	4.157	40	0		DHABRO
CC[C@@H](C)Nc1nc(N2Cc3ccccc3C(C)(C)C2)cc(C)[nH+]1	ZINC000329066350	563960388	/nfs/dbraw/zinc/96/03/88/563960388.db2.gz	YAIDKHSLODENCW-CQSZACIVSA-N	1	0	324.472	4.293	40	0		DHABRO
CC(C)c1cccc2cc(C[NH2+]CCc3ccccc3)c(=O)[nH]c21	ZINC000013566544	568413097	/nfs/dbraw/zinc/41/30/97/568413097.db2.gz	HAYYKUWKXZDWKA-UHFFFAOYSA-N	1	0	320.436	3.984	40	0		DHABRO
c1nc([C@@H]2CCC[N@H+]2CC2CC2)c2ccc(-c3cccnc3)cn12	ZINC000306144876	231092601	/nfs/dbraw/zinc/09/26/01/231092601.db2.gz	ZREWWLONGKQZMM-SFHVURJKSA-N	1	0	318.424	3.943	40	0		DHABRO
CC(C)Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CCOCC3)C2(C)C)no1	ZINC000072320772	191120633	/nfs/dbraw/zinc/12/06/33/191120633.db2.gz	JHGUCGUSOBNUPZ-KDOFPFPSSA-N	1	0	320.477	3.599	40	0	biogenic,in-vitro	DHABRO
FC(F)(F)c1cccc(-c2cnc([C@@H]3CCC[NH2+]C3)cn2)c1	ZINC000072365066	191134426	/nfs/dbraw/zinc/13/44/26/191134426.db2.gz	LTULBAMBDVZDGB-GFCCVEGCSA-N	1	0	307.319	3.629	40	0		DHABRO
CC(C)[N@@H+]1CCC[C@H](Cc2cncc(Br)c2)CC1	ZINC000072366096	191135456	/nfs/dbraw/zinc/13/54/56/191135456.db2.gz	QLPJJMVBBPFKRH-ZDUSSCGKSA-N	1	0	311.267	3.897	40	0		DHABRO
CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)ccn1	ZINC000072369299	191139260	/nfs/dbraw/zinc/13/92/60/191139260.db2.gz	MJRRCOUMNBXSSV-IBGZPJMESA-N	1	0	323.440	3.511	40	0		DHABRO
C[C@H]1CCC[N@H+](Cc2c3cccnc3[nH]c2C2CCOCC2)C1	ZINC000072394987	191149686	/nfs/dbraw/zinc/14/96/86/191149686.db2.gz	LWZTVQRWNSRHCH-AWEZNQCLSA-N	1	0	313.445	3.689	40	0		DHABRO
Cc1ccnc([C@@]2(C)CCC[N@@H+]2Cc2ccc3cc[nH]c3c2)n1	ZINC000072388528	191146022	/nfs/dbraw/zinc/14/60/22/191146022.db2.gz	YLVCMDUYPFMMHV-LJQANCHMSA-N	1	0	306.413	3.778	40	0		DHABRO
C[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccc(C(C)(C)C)cc1	ZINC000072881651	191246786	/nfs/dbraw/zinc/24/67/86/191246786.db2.gz	VZAVSTGRAXDHEW-AWEZNQCLSA-N	1	0	302.462	3.503	40	0		DHABRO
O=C(Oc1ccc(/C=C/[n+]2ccccc2)cc1)c1ccccc1	ZINC000001609527	180878615	/nfs/dbraw/zinc/87/86/15/180878615.db2.gz	RTJBWOBVMDMWBC-DTQAZKPQSA-N	1	0	302.353	3.821	40	0		DHABRO
C[C@@H]1CCC[N@H+](CC(=O)NC(c2ccccc2)c2ccccc2)C1	ZINC000003564626	181035363	/nfs/dbraw/zinc/03/53/63/181035363.db2.gz	FXLKDKLLSAGXGV-QGZVFWFLSA-N	1	0	322.452	3.624	40	0		DHABRO
C[C@@H](C[NH+]1CCCC1)OC(=O)[C@@H](c1ccccc1)[C@H]1C=CCC1	ZINC000004416227	181108225	/nfs/dbraw/zinc/10/82/25/181108225.db2.gz	KMIMUNJWKNUUOF-WDSOQIARSA-N	1	0	313.441	3.764	40	0		DHABRO
O=C(C[NH2+]C1CCCCCC1)Nc1ccc(N2CCCC2)cc1	ZINC000004896221	181169771	/nfs/dbraw/zinc/16/97/71/181169771.db2.gz	SZZKTTCVMGZDMZ-UHFFFAOYSA-N	1	0	315.461	3.538	40	0		DHABRO
CCC(=O)N(Cc1cccs1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000004968458	181181336	/nfs/dbraw/zinc/18/13/36/181181336.db2.gz	ZBWQKFRPOIYVNJ-UHFFFAOYSA-N	1	0	308.491	3.796	40	0		DHABRO
C[N@@H+]1CCC[C@@H]2C3=CC=C4C[C@@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C	ZINC000005029545	181193224	/nfs/dbraw/zinc/19/32/24/181193224.db2.gz	BSKUDKXKAISNDJ-LFAQGZIKSA-N	1	0	301.474	3.914	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2F)C1	ZINC000089212721	192742250	/nfs/dbraw/zinc/74/22/50/192742250.db2.gz	WSHIXPRCKVXCHM-CQSZACIVSA-N	1	0	322.424	3.562	40	0		DHABRO
O=C(/C=C/c1ccccc1)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000005998781	181303978	/nfs/dbraw/zinc/30/39/78/181303978.db2.gz	JXMJETIEHOEGQH-JLHYYAGUSA-N	1	0	306.409	3.934	40	0		DHABRO
CCOC(=O)c1c(C)[nH]c(C[NH2+][C@H](C)c2ccccc2)c1C	ZINC000006403582	181338145	/nfs/dbraw/zinc/33/81/45/181338145.db2.gz	IVGXWYFHTIPERG-CYBMUJFWSA-N	1	0	300.402	3.659	40	0		DHABRO
CC[NH+](CC)CCNC(=S)Nc1ccc(Cl)cc1Cl	ZINC000006462787	181342985	/nfs/dbraw/zinc/34/29/85/181342985.db2.gz	ODCZEBHZTBBNDL-UHFFFAOYSA-N	1	0	320.289	3.622	40	0		DHABRO
Fc1cccc(Cc2cnc([C@H]3CCC[N@H+](CC4CC4)C3)o2)c1	ZINC000257275805	203004141	/nfs/dbraw/zinc/00/41/41/203004141.db2.gz	NQYRBWBRRFDEMP-INIZCTEOSA-N	1	0	314.404	3.994	40	0		DHABRO
CCCCCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@@H+]2CC1CC1	ZINC000257299081	203022508	/nfs/dbraw/zinc/02/25/08/203022508.db2.gz	RORHTAPRWLBERA-QZTJIDSGSA-N	1	0	306.494	3.822	40	0		DHABRO
Cc1cc2c[nH+]cn2c([C@H]2CCCCN2C(=O)CC(C)(C)C)n1	ZINC000257336235	203057300	/nfs/dbraw/zinc/05/73/00/203057300.db2.gz	YNPWXWVICMZIBR-OAHLLOKOSA-N	1	0	314.433	3.528	40	0		DHABRO
O=C(NCCC[NH+]1CCCCC1)c1ccc(Cl)cc1Cl	ZINC000010276768	181663307	/nfs/dbraw/zinc/66/33/07/181663307.db2.gz	PNWPGOSRVXSTKY-UHFFFAOYSA-N	1	0	315.244	3.599	40	0		DHABRO
CCc1ccc(CN2CC[NH+](C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1	ZINC000019359634	182119252	/nfs/dbraw/zinc/11/92/52/182119252.db2.gz	KMYQSMSZAJOVQP-HKBOAZHASA-N	1	0	310.485	3.579	40	0		DHABRO
Fc1ccc([C@H]2C[NH2+][C@@H]3CCCN(Cc4ccccc4)[C@@H]32)cc1	ZINC000019372038	182120046	/nfs/dbraw/zinc/12/00/46/182120046.db2.gz	MWYFNVCKZXTFLU-VAMGGRTRSA-N	1	0	310.416	3.546	40	0		DHABRO
CCn1cc(C[N@@H+]2CCCCC[C@H]2c2cc(C)no2)c(C)n1	ZINC000019524543	182128684	/nfs/dbraw/zinc/12/86/84/182128684.db2.gz	CIYNPUNMHSDXSO-INIZCTEOSA-N	1	0	302.422	3.625	40	0		DHABRO
COc1ccc(-c2[nH]c3ncccc3c2C[NH+]2CCCC2)cc1	ZINC000019557824	182130473	/nfs/dbraw/zinc/13/04/73/182130473.db2.gz	URNTVMLQIRTWMQ-UHFFFAOYSA-N	1	0	307.397	3.834	40	0		DHABRO
C[NH+](C)CCN(Cc1cccs1)Cc1ccc(F)c(F)c1	ZINC000019582539	182132588	/nfs/dbraw/zinc/13/25/88/182132588.db2.gz	AOHOWQXLKJTPSV-UHFFFAOYSA-N	1	0	310.413	3.590	40	0		DHABRO
Cc1ccc(CN(CC[NH+](C)C)Cc2cccs2)cc1C	ZINC000022914979	182340805	/nfs/dbraw/zinc/34/08/05/182340805.db2.gz	OAQJBMQRALQFMN-UHFFFAOYSA-N	1	0	302.487	3.929	40	0		DHABRO
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NC3CCCCC3)cc2)C1	ZINC000038832573	183011343	/nfs/dbraw/zinc/01/13/43/183011343.db2.gz	ILMRSYDPMRVVEF-MRXNPFEDSA-N	1	0	314.473	3.981	40	0		DHABRO
O=C(OCc1ccccc1)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1	ZINC000039952198	183023969	/nfs/dbraw/zinc/02/39/69/183023969.db2.gz	YEJYYIHYDOLTNI-LJQANCHMSA-N	1	0	324.424	3.577	40	0		DHABRO
Cc1ccc(C)c(NC(=S)NCCC[N@H+]2CCC[C@@H](C)C2)c1	ZINC000044080838	183394387	/nfs/dbraw/zinc/39/43/87/183394387.db2.gz	KTEUWZDFLMRPAA-OAHLLOKOSA-N	1	0	319.518	3.712	40	0		DHABRO
CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCC[NH2+]1	ZINC000072214900	257125814	/nfs/dbraw/zinc/12/58/14/257125814.db2.gz	SKQSZKGIKNUXMJ-AWEZNQCLSA-N	1	0	305.422	3.656	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc(C2CC[NH2+]CC2)n1	ZINC000072209134	257127889	/nfs/dbraw/zinc/12/78/89/257127889.db2.gz	XIGYCPUPPXEHLE-UHFFFAOYSA-N	1	0	321.808	3.646	40	0		DHABRO
Cc1ccccc1OCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1	ZINC000005982037	257218821	/nfs/dbraw/zinc/21/88/21/257218821.db2.gz	KZJIQORPDPOENV-UHFFFAOYSA-N	1	0	324.424	3.608	40	0		DHABRO
C[N@@H+]1CC[C@H](NCc2ccccc2Cl)[C@@H](c2ccccc2)C1	ZINC000248129383	341373673	/nfs/dbraw/zinc/37/36/73/341373673.db2.gz	MSHNPNGYEYSRMB-MJGOQNOKSA-N	1	0	314.860	3.918	40	0		DHABRO
COc1ccc(Cl)cc1C[NH2+][C@H](C)[C@@H](O)c1ccccc1	ZINC000022076436	563713995	/nfs/dbraw/zinc/71/39/95/563713995.db2.gz	RVTKBHTVBGBRTR-SJKOYZFVSA-N	1	0	305.805	3.560	40	0		DHABRO
CCCCCC[C@@H]1NC(=[NH2+])NC(=N)N1c1cccc(Cl)c1	ZINC000001666579	563290025	/nfs/dbraw/zinc/29/00/25/563290025.db2.gz	QJSAJCHTOMBQHS-CYBMUJFWSA-N	1	0	307.829	3.505	40	0		DHABRO
CC[C@@H](C)[C@H](C(=O)OC1CC[NH+](CC)CC1)c1ccccc1	ZINC000001726498	563293949	/nfs/dbraw/zinc/29/39/49/563293949.db2.gz	UBWAHRVZHIOXEQ-QAPCUYQASA-N	1	0	303.446	3.844	40	0		DHABRO
CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)c1ccccc1	ZINC000002694370	563311360	/nfs/dbraw/zinc/31/13/60/563311360.db2.gz	RKIYHUWPPCZGFT-SJLPKXTDSA-N	1	0	313.441	3.901	40	0		DHABRO
CC[C@@H](C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(C)CC1	ZINC000002694418	563312050	/nfs/dbraw/zinc/31/20/50/563312050.db2.gz	ZGDNITHMLAZCBL-SJORKVTESA-N	1	0	305.462	3.672	40	0		DHABRO
O=C(C[NH2+]Cc1cccnc1)N(c1ccccc1)c1ccccc1	ZINC000035313598	563332067	/nfs/dbraw/zinc/33/20/67/563332067.db2.gz	KVLSTUHPXYGLJN-UHFFFAOYSA-N	1	0	317.392	3.536	40	0		DHABRO
CCCC[NH2+]Cc1cc(Br)c(OC)c(OCC)c1	ZINC000007261619	563337351	/nfs/dbraw/zinc/33/73/51/563337351.db2.gz	PDRKSNQENXKZHO-UHFFFAOYSA-N	1	0	316.239	3.746	40	0		DHABRO
C[C@H](O)C[NH2+]Cc1c(OCc2ccccc2)ccc2ccccc21	ZINC000008497860	563347220	/nfs/dbraw/zinc/34/72/20/563347220.db2.gz	HQIIIXLJDAIIOS-INIZCTEOSA-N	1	0	321.420	3.889	40	0		DHABRO
COc1cccc(OC[C@H]2[C@H]3CC[C@H](C3)[N@@H+]2Cc2ccccn2)c1	ZINC000012085291	563362005	/nfs/dbraw/zinc/36/20/05/563362005.db2.gz	YBKLQPLDFPGHIL-VPWXQRGCSA-N	1	0	324.424	3.522	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cccc(Cl)c1	ZINC000013672673	563385517	/nfs/dbraw/zinc/38/55/17/563385517.db2.gz	CENAUFREANMIOP-MRXNPFEDSA-N	1	0	308.853	3.724	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1	ZINC000036655887	563457496	/nfs/dbraw/zinc/45/74/96/563457496.db2.gz	HDWDFQCOCPBEAT-JZXOWHBKSA-N	1	0	319.489	3.702	40	0		DHABRO
CC[C@@H]([C@H]([NH3+])c1ccc(-c2ccccc2)cc1)S(=O)(=O)CC	ZINC000096524935	563485880	/nfs/dbraw/zinc/48/58/80/563485880.db2.gz	JNBSFQJXABHEKT-ZWKOTPCHSA-N	1	0	317.454	3.567	40	0		DHABRO
Cc1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)s1	ZINC000096049298	563532028	/nfs/dbraw/zinc/53/20/28/563532028.db2.gz	GOLSMGIQDGHKTG-UHFFFAOYSA-N	1	0	304.503	3.897	40	0		DHABRO
C[NH+](C)[C@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]21	ZINC000096058313	563532547	/nfs/dbraw/zinc/53/25/47/563532547.db2.gz	GVWQHTDXXGHFEL-UFYCRDLUSA-N	1	0	310.416	3.658	40	0		DHABRO
Cc1ccc(C[NH+]2CCC3(C[C@H](OCC4CC4)CO3)CC2)s1	ZINC000096106610	563533087	/nfs/dbraw/zinc/53/30/87/563533087.db2.gz	KIWSMMAOOAWICO-INIZCTEOSA-N	1	0	321.486	3.607	40	0		DHABRO
O=C1CC[C@@]2(CCC[N@H+](Cc3ccsc3)CC2)N1CC1CC1	ZINC000096217936	563535215	/nfs/dbraw/zinc/53/52/15/563535215.db2.gz	QAAVJNUUGXNUHR-GOSISDBHSA-N	1	0	318.486	3.505	40	0		DHABRO
Cc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4ccccc4)C3)C2)n1	ZINC000096216160	563535341	/nfs/dbraw/zinc/53/53/41/563535341.db2.gz	VNIQHNWPWJGHLI-OAQYLSRUSA-N	1	0	321.468	3.883	40	0		DHABRO
c1csc(C[N@@H+]2CC[C@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216623	563535570	/nfs/dbraw/zinc/53/55/70/563535570.db2.gz	FNNJLNSPGQIVNU-SFHVURJKSA-N	1	0	313.470	3.636	40	0		DHABRO
Cc1cccc(C[NH+]2CCC3(CN(c4ccccc4)C3=O)CC2)c1	ZINC000096202921	563535844	/nfs/dbraw/zinc/53/58/44/563535844.db2.gz	RHRFMXOTZPIRBJ-UHFFFAOYSA-N	1	0	320.436	3.624	40	0		DHABRO
CC(C)Cc1ncc(-c2cncc([C@@H]3CCC[N@H+](C)C3)n2)s1	ZINC000585260976	563536267	/nfs/dbraw/zinc/53/62/67/563536267.db2.gz	LCNMSMCCGZBYCX-CYBMUJFWSA-N	1	0	316.474	3.608	40	0		DHABRO
COc1ccc(C[NH2+][C@@H](C)c2ccccc2)c(OC)c1OC	ZINC000008534258	563643388	/nfs/dbraw/zinc/64/33/88/563643388.db2.gz	SJXKXZOMERWMTI-ZDUSSCGKSA-N	1	0	301.386	3.563	40	0		DHABRO
Cc1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4ccccc4)o3)C2)o1	ZINC000049169338	563700873	/nfs/dbraw/zinc/70/08/73/563700873.db2.gz	JWXTWMQTVOTBJE-HNNXBMFYSA-N	1	0	309.369	3.628	40	0	biogenic,in-vitro	DHABRO
COc1cc(C=O)ccc1OCCCC[NH+]1[C@@H](C)CCC[C@@H]1C	ZINC000217797522	563714587	/nfs/dbraw/zinc/71/45/87/563714587.db2.gz	KUIVQBHRCSDPJN-HOTGVXAUSA-N	1	0	319.445	3.930	40	0		DHABRO
CNc1cccc(CC[C@@H]2CCCCN2C(=O)c2ccccc2)n1	ZINC000257223200	563790419	/nfs/dbraw/zinc/79/04/19/563790419.db2.gz	DWIMPZXEJMEAFB-SFHVURJKSA-N	1	0	323.440	3.751	40	0		DHABRO
Fc1cc(F)cc(CN2CCC[C@H]2c2cccc3nccn32)c1	ZINC000257229786	563790619	/nfs/dbraw/zinc/79/06/19/563790619.db2.gz	FZMBBQLIDXEKTB-INIZCTEOSA-N	1	0	313.351	3.950	40	0		DHABRO
CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CC[NH2+]C[C@@H]3C[C@@H]21	ZINC000257216912	563790743	/nfs/dbraw/zinc/79/07/43/563790743.db2.gz	CWQIYYLMQPCOIS-LOHUMSBYSA-N	1	0	307.821	3.567	40	0		DHABRO
CN(C)c1cccc(CC[C@H]2CCCC[N@@H+]2Cc2ccccn2)n1	ZINC000257214190	563790985	/nfs/dbraw/zinc/79/09/85/563790985.db2.gz	CKYNWFZOXLBBJJ-LJQANCHMSA-N	1	0	324.472	3.530	40	0		DHABRO
CCCn1nccc1-c1ccc(C[C@@H]2CC[N@@H+](C(C)C)C2)cn1	ZINC000257267050	563792251	/nfs/dbraw/zinc/79/22/51/563792251.db2.gz	MFTGGDYXLHGJHC-KRWDZBQOSA-N	1	0	312.461	3.628	40	0		DHABRO
CC(C)n1cc(-c2nccnc2[C@@H]2CCC[N@@H+](C(C)C)C2)cn1	ZINC000257333881	563793077	/nfs/dbraw/zinc/79/30/77/563793077.db2.gz	YDMRWYPDLRTTQK-OAHLLOKOSA-N	1	0	313.449	3.509	40	0		DHABRO
CNc1cc(N2CCc3cc(Cl)ccc3C2)nc(C(C)C)[nH+]1	ZINC000328977676	563832637	/nfs/dbraw/zinc/83/26/37/563832637.db2.gz	FUOWMSMQSKPSKL-UHFFFAOYSA-N	1	0	316.836	3.858	40	0		DHABRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)C[NH2+]C1CCCC1)C2	ZINC000035075028	563857885	/nfs/dbraw/zinc/85/78/85/563857885.db2.gz	ZBNAUCQADSOPHS-XZKMEQPCSA-N	1	0	309.494	3.501	40	0		DHABRO
Cc1cc(C)c(OC[C@H](O)C[N@H+]2[C@H](C)CCC[C@@H]2C)c(C)c1	ZINC000026781062	563873629	/nfs/dbraw/zinc/87/36/29/563873629.db2.gz	XSNHSRSRUZLJLL-FGTMMUONSA-N	1	0	305.462	3.614	40	0		DHABRO
CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000044790128	563923139	/nfs/dbraw/zinc/92/31/39/563923139.db2.gz	GYPZEYWXRZTKMK-ZBFHGGJFSA-N	1	0	322.880	3.857	40	0		DHABRO
CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1	ZINC000044790131	563923219	/nfs/dbraw/zinc/92/32/19/563923219.db2.gz	GYPZEYWXRZTKMK-HOCLYGCPSA-N	1	0	322.880	3.857	40	0		DHABRO
CCCCNc1c2ccccc2oc(=O)c1C[NH+]1CCCC1	ZINC000003177970	563942571	/nfs/dbraw/zinc/94/25/71/563942571.db2.gz	QSLNLXJVHSRIOQ-UHFFFAOYSA-N	1	0	300.402	3.601	40	0		DHABRO
CC(C)(C)Nc1nc(NCc2ccc(F)cc2)cc(C2CC2)[nH+]1	ZINC000329024894	563959666	/nfs/dbraw/zinc/95/96/66/563959666.db2.gz	PDCHOGSQAHIVAY-UHFFFAOYSA-N	1	0	314.408	4.316	40	0		DHABRO
C[C@@H](c1ccccn1)[N@@H+]1CCCC[C@H]1CNC(=O)OC(C)(C)C	ZINC000245204432	1024641702	/nfs/dbraw/zinc/64/17/02/1024641702.db2.gz	AZUVUIZQXCYECR-GJZGRUSLSA-N	1	0	319.449	3.522	40	0		DHABRO
CC(C)(C)OC(=O)NC1CCC([NH2+]Cc2ccccc2)CC1	ZINC000095496338	185374062	/nfs/dbraw/zinc/37/40/62/185374062.db2.gz	OHLUWOBLCVPXBJ-UHFFFAOYSA-N	1	0	304.434	3.612	40	0		DHABRO
CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)OC(C)(C)C	ZINC000095642739	185383058	/nfs/dbraw/zinc/38/30/58/185383058.db2.gz	XFKIFDHXCLAUQA-QGZVFWFLSA-N	1	0	318.461	3.764	40	0		DHABRO
c1csc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)n1	ZINC000092788602	185341621	/nfs/dbraw/zinc/34/16/21/185341621.db2.gz	UYYYEWGRXNOJRQ-HNNXBMFYSA-N	1	0	324.453	3.913	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=S)Nc1cccc(F)c1	ZINC000225581875	186279856	/nfs/dbraw/zinc/27/98/56/186279856.db2.gz	QIGAXFCSFPAUJW-INIZCTEOSA-N	1	0	323.481	3.767	40	0		DHABRO
Cc1cc(C)c(C(=O)NCCC[NH+]2CCCCCC2)cc1C	ZINC000225644990	186286230	/nfs/dbraw/zinc/28/62/30/186286230.db2.gz	FWNBEBBACJHCAQ-UHFFFAOYSA-N	1	0	302.462	3.608	40	0		DHABRO
C[N@@H+]1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1	ZINC000072358370	191130259	/nfs/dbraw/zinc/13/02/59/191130259.db2.gz	AIOIUVPPLNEVHV-ZDUSSCGKSA-N	1	0	321.346	3.972	40	0		DHABRO
Cc1cnc(Nc2nccnc2C2CC[NH+](C(C)C)CC2)s1	ZINC000072365550	191133706	/nfs/dbraw/zinc/13/37/06/191133706.db2.gz	OOXLWHIRTQMZFU-UHFFFAOYSA-N	1	0	317.462	3.573	40	0		DHABRO
C[C@H]1C[NH+](Cc2c3cccnc3[nH]c2C2CCCC2)C[C@H](C)O1	ZINC000072393347	191149822	/nfs/dbraw/zinc/14/98/22/191149822.db2.gz	LCESVPMCNCNJJM-KBPBESRZSA-N	1	0	313.445	3.830	40	0		DHABRO
CCC[NH+](CCC)C[C@H](O)c1ccc(Br)cc1	ZINC000001599082	180877506	/nfs/dbraw/zinc/87/75/06/180877506.db2.gz	QTESLTIBJCSSBB-AWEZNQCLSA-N	1	0	300.240	3.605	40	0		DHABRO
C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1cccc(F)c1	ZINC000003314825	181003356	/nfs/dbraw/zinc/00/33/56/181003356.db2.gz	SWTLROFEBUFYHZ-AWEZNQCLSA-N	1	0	301.361	3.503	40	0		DHABRO
C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CO[C@@H]2C[C@@H](C)CC(C)(C)C2)C1	ZINC000004183207	181082266	/nfs/dbraw/zinc/08/22/66/181082266.db2.gz	SLJQCXKWMCDIOX-UYTYNIKBSA-N	1	0	311.510	3.557	40	0		DHABRO
C[NH+](C)CC[C@H]1c2ccc(Cl)cc2CCc2cccnc21	ZINC000004212654	181085470	/nfs/dbraw/zinc/08/54/70/181085470.db2.gz	BYUAWKXUYPHXSR-KRWDZBQOSA-N	1	0	300.833	3.917	40	0	in-man	DHABRO
CCOC(=O)[C@H]1CC2(CC[C@H]1[NH3+])c1ccccc1-c1ccccc12	ZINC000004742915	181146055	/nfs/dbraw/zinc/14/60/55/181146055.db2.gz	ZXMLXVVRBMOTQI-QFBILLFUSA-N	1	0	321.420	3.644	40	0		DHABRO
CC(C)[C@H](COC(=O)c1ccc(N)cc1)[NH2+][C@@H]1CCCC[C@H]1C	ZINC000004825136	181157155	/nfs/dbraw/zinc/15/71/55/181157155.db2.gz	XTGSASTYPBHXBJ-OLMNPRSZSA-N	1	0	318.461	3.619	40	0		DHABRO
Cc1ccccc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(C)C	ZINC000004886568	181168045	/nfs/dbraw/zinc/16/80/45/181168045.db2.gz	FVUAYRMFYZPYOW-AYHJJNSGSA-N	1	0	314.473	3.766	40	0		DHABRO
C[N@@H+]1CCC[C@@H]2C3=CC=C4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C	ZINC000005029549	181193266	/nfs/dbraw/zinc/19/32/66/181193266.db2.gz	BSKUDKXKAISNDJ-HKUYMTLNSA-N	1	0	301.474	3.914	40	0		DHABRO
CC[C@@H]1CC[C@H]2[C@H](CC[C@@]3([NH+](C)C)CC[C@@H](OC)[C@@H](OC)[C@H]23)C1	ZINC000005339250	181231673	/nfs/dbraw/zinc/23/16/73/181231673.db2.gz	JGYKCSORDIHDBG-DXXZMKCOSA-N	1	0	323.521	3.963	40	0		DHABRO
CC[NH2+][C@H](CC(=O)c1cc2ccccc2oc1=O)c1ccccc1	ZINC000005472146	181247373	/nfs/dbraw/zinc/24/73/73/181247373.db2.gz	LALGVBGKEVDTEZ-QGZVFWFLSA-N	1	0	321.376	3.717	40	0		DHABRO
CCc1ncc([C@@](C)(O)c2ccccc2)n1Cc1ccccc1	ZINC000005502426	181250821	/nfs/dbraw/zinc/25/08/21/181250821.db2.gz	MGJWEHDRICUGFI-FQEVSTJZSA-N	1	0	306.409	3.750	40	0		DHABRO
O=C(NCCC[NH2+]C1CCCCC1)C12CC3CC(CC(C3)C1)C2	ZINC000005621467	181264481	/nfs/dbraw/zinc/26/44/81/181264481.db2.gz	KYCAIUUNKFMUAM-UHFFFAOYSA-N	1	0	318.505	3.631	40	0		DHABRO
CC[C@H](C)c1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C)C1	ZINC000006356053	181333746	/nfs/dbraw/zinc/33/37/46/181333746.db2.gz	JHQZQXQDMVUSSM-YESZJQIVSA-N	1	0	305.462	3.672	40	0		DHABRO
c1ccc(C[NH+]2CCC3(CC2)CCNc2ccccc2O3)cc1	ZINC000091302040	193035967	/nfs/dbraw/zinc/03/59/67/193035967.db2.gz	WDGNVURNCQTMIN-UHFFFAOYSA-N	1	0	308.425	3.916	40	0		DHABRO
Cc1nc(-c2ccc(CC3CC[NH+](C)CC3)cn2)sc1C	ZINC000257280390	203008127	/nfs/dbraw/zinc/00/81/27/203008127.db2.gz	OKQMLRSLWVYVSN-UHFFFAOYSA-N	1	0	301.459	3.706	40	0		DHABRO
CCNc1cc([C@H]2CCC[N@@H+]2Cc2ccc(C)cc2)nc(C)n1	ZINC000257323052	203048396	/nfs/dbraw/zinc/04/83/96/203048396.db2.gz	WIOOWTLQRMPCDM-GOSISDBHSA-N	1	0	310.445	3.862	40	0		DHABRO
CCCCCC(=O)N1CC[C@@H]2[C@H](C1)CCCC[N@@H+]2CC1CC1	ZINC000257338046	203060405	/nfs/dbraw/zinc/06/04/05/203060405.db2.gz	YVOLPQLQMQPNPE-ZWKOTPCHSA-N	1	0	306.494	3.680	40	0		DHABRO
Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1C	ZINC000008011749	181518345	/nfs/dbraw/zinc/51/83/45/181518345.db2.gz	WAMLJPZRPWAVNP-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
Cc1ccc2cc(C[NH2+]Cc3ccc(F)cc3)c(=O)[nH]c2c1C	ZINC000012706409	181789508	/nfs/dbraw/zinc/78/95/08/181789508.db2.gz	YAFGJHIZBBJLTA-UHFFFAOYSA-N	1	0	310.372	3.574	40	0		DHABRO
Cc1ccc2cc(C[NH2+]CCc3ccccc3C)c(=O)[nH]c2c1C	ZINC000013999708	181918900	/nfs/dbraw/zinc/91/89/00/181918900.db2.gz	HUODWFDEDOBLSL-UHFFFAOYSA-N	1	0	320.436	3.786	40	0		DHABRO
Cc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1	ZINC000019287293	182112709	/nfs/dbraw/zinc/11/27/09/182112709.db2.gz	GPJVPSKSFOPVDH-ZRNYENFQSA-N	1	0	307.441	3.847	40	0		DHABRO
Fc1ccccc1Cn1c([C@H]2CCC[NH2+]C2)cc2cccnc21	ZINC000019349745	182117416	/nfs/dbraw/zinc/11/74/16/182117416.db2.gz	SBLXMHSRLFUKBD-HNNXBMFYSA-N	1	0	309.388	3.691	40	0		DHABRO
CC[N@@H+]1CCC[C@@H]1CN(Cc1cccs1)Cc1ccccn1	ZINC000019527165	182128275	/nfs/dbraw/zinc/12/82/75/182128275.db2.gz	LPJQELOSUQXACF-QGZVFWFLSA-N	1	0	315.486	3.630	40	0		DHABRO
CC[N@@H+]1CCC[C@H]1CN(Cc1cccs1)Cc1ccccn1	ZINC000019527166	182128603	/nfs/dbraw/zinc/12/86/03/182128603.db2.gz	LPJQELOSUQXACF-KRWDZBQOSA-N	1	0	315.486	3.630	40	0		DHABRO
CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1	ZINC000019533410	182128865	/nfs/dbraw/zinc/12/88/65/182128865.db2.gz	VJIINPIVWKKWOE-QFBILLFUSA-N	1	0	314.429	3.883	40	0		DHABRO
Cc1c(C[N@@H+]2C[C@H](c3ccccc3)C3(CCCC3)C2)cnn1C	ZINC000019553557	182129113	/nfs/dbraw/zinc/12/91/13/182129113.db2.gz	SBOHZZCBOXKCGX-LJQANCHMSA-N	1	0	309.457	3.888	40	0		DHABRO
Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)C3(CCCC3)C2)cnn1C	ZINC000019553555	182129135	/nfs/dbraw/zinc/12/91/35/182129135.db2.gz	SBOHZZCBOXKCGX-IBGZPJMESA-N	1	0	309.457	3.888	40	0		DHABRO
COc1ccccc1C[N@@H+]1CCC[C@H](c2cc3cccnc3[nH]2)C1	ZINC000019570332	182131420	/nfs/dbraw/zinc/13/14/20/182131420.db2.gz	OIRNSLPNOXITLK-INIZCTEOSA-N	1	0	321.424	3.951	40	0		DHABRO
CNc1cc(C)c([C@H]2CCCCN2C(=O)c2ccccc2)cn1	ZINC000072219077	257123880	/nfs/dbraw/zinc/12/38/80/257123880.db2.gz	SCZIQFVOIDVIMP-QGZVFWFLSA-N	1	0	309.413	3.799	40	0		DHABRO
CCCC[N@@H+]1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1	ZINC000072219364	257124439	/nfs/dbraw/zinc/12/44/39/257124439.db2.gz	GYKGRBVVICFBSN-GOSISDBHSA-N	1	0	317.477	3.554	40	0		DHABRO
CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCC[N@@H+]2C)cn1	ZINC000072214452	257126280	/nfs/dbraw/zinc/12/62/80/257126280.db2.gz	LCHWPDLITQNXHN-AWEZNQCLSA-N	1	0	305.422	3.610	40	0		DHABRO
CC(C)Oc1ccc(Cl)cc1-c1noc([C@@H]2CCCC[NH2+]2)n1	ZINC000072209130	257127956	/nfs/dbraw/zinc/12/79/56/257127956.db2.gz	QHWMBKNRXCSAAF-ZDUSSCGKSA-N	1	0	321.808	3.992	40	0		DHABRO
CCCOc1ccc(Cl)cc1-c1noc([C@H]2CCC[NH2+]C2)n1	ZINC000072209136	257128413	/nfs/dbraw/zinc/12/84/13/257128413.db2.gz	SKBFVTXCVJYQJB-NSHDSACASA-N	1	0	321.808	3.646	40	0		DHABRO
CCOc1cc(C=O)ccc1OCCC[NH+]1CCCCCC1	ZINC000008731499	563644107	/nfs/dbraw/zinc/64/41/07/563644107.db2.gz	OFSYJGQMAUCIPH-UHFFFAOYSA-N	1	0	305.418	3.543	40	0		DHABRO
COc1ccc(Cl)cc1C[NH2+][C@@H](C)[C@H](O)c1ccccc1	ZINC000022076438	563714003	/nfs/dbraw/zinc/71/40/03/563714003.db2.gz	RVTKBHTVBGBRTR-SJCJKPOMSA-N	1	0	305.805	3.560	40	0		DHABRO
COc1cc(C=O)ccc1OCCC[N@H+]1[C@H](C)CCC[C@@H]1C	ZINC000217791198	563714843	/nfs/dbraw/zinc/71/48/43/563714843.db2.gz	FAIPTXGOFBMLBZ-GASCZTMLSA-N	1	0	305.418	3.540	40	0		DHABRO
CCOc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3CC[C@@H](C3)C2)cc1	ZINC000001615835	563288178	/nfs/dbraw/zinc/28/81/78/563288178.db2.gz	OUMMMKBAYVZVQE-HOTGVXAUSA-N	1	0	301.430	3.780	40	0		DHABRO
CC[N@H+](CCNc1cc(OC)cc2cccnc21)CC(C)C	ZINC000001656145	563289438	/nfs/dbraw/zinc/28/94/38/563289438.db2.gz	QXUKFRVMICWVQJ-UHFFFAOYSA-N	1	0	301.434	3.633	40	0		DHABRO
C[NH+](C)CCCN1CCC2(CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000001680246	563290972	/nfs/dbraw/zinc/29/09/72/563290972.db2.gz	BJDREZAXPCVNLF-CQSZACIVSA-N	1	0	306.416	3.773	40	0		DHABRO
O=C(OCC[NH+]1CCCC1)[C@@H](c1ccccc1)[C@@H]1C=CCCC1	ZINC000001712581	563293293	/nfs/dbraw/zinc/29/32/93/563293293.db2.gz	WBSQBCKCXJYLSQ-MOPGFXCFSA-N	1	0	313.441	3.766	40	0		DHABRO
C[C@H](C[NH+]1CCCC1)[C@@](O)(Cc1ccccc1)c1ccccc1	ZINC000001726852	563293914	/nfs/dbraw/zinc/29/39/14/563293914.db2.gz	HAHXIOSXBVTRRT-NQIIRXRSSA-N	1	0	309.453	3.849	40	0		DHABRO
CCOc1cc(C[NH2+]Cc2ccncc2)cc(Cl)c1OCC	ZINC000006870230	563334699	/nfs/dbraw/zinc/33/46/99/563334699.db2.gz	LIQRCJGNAZYYAQ-UHFFFAOYSA-N	1	0	320.820	3.822	40	0		DHABRO
O=C(CCc1ccccc1)NCc1ccccc1C[NH+]1CCCC1	ZINC000008011595	563343938	/nfs/dbraw/zinc/34/39/38/563343938.db2.gz	XSAIPFYHIHQJDO-UHFFFAOYSA-N	1	0	322.452	3.531	40	0		DHABRO
C[N@H+](C[C@@H](O)CO[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1	ZINC000009970724	563355568	/nfs/dbraw/zinc/35/55/68/563355568.db2.gz	JXMIXOSOCIMCNA-UIXUWTQFSA-N	1	0	323.521	3.843	40	0		DHABRO
CC(=O)NC1(c2ccccc2C)CC[NH+](Cc2ccccc2)CC1	ZINC000012113162	563361555	/nfs/dbraw/zinc/36/15/55/563361555.db2.gz	ATYCTDYKWXYQMN-UHFFFAOYSA-N	1	0	322.452	3.622	40	0		DHABRO
O=c1oc2ccccc2n1[C@H]1CCC[N@H+](CC2CCCCC2)C1	ZINC000012336913	563366476	/nfs/dbraw/zinc/36/64/76/563366476.db2.gz	LYBDSSYXELFUKU-INIZCTEOSA-N	1	0	314.429	3.812	40	0		DHABRO
CCN(C(=O)c1ccc(F)cc1)[C@@H]1C[N@H+](C)C2(C1)CCCCC2	ZINC000019695606	563416458	/nfs/dbraw/zinc/41/64/58/563416458.db2.gz	GSBYHCYWDRLEBU-KRWDZBQOSA-N	1	0	318.436	3.695	40	0		DHABRO
CC1CC[NH+](Cc2ccc(C(=O)NC3CCCC3)cc2)CC1	ZINC000030755238	563438358	/nfs/dbraw/zinc/43/83/58/563438358.db2.gz	ARBBWRDXTUMIJX-UHFFFAOYSA-N	1	0	300.446	3.591	40	0		DHABRO
Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)c(C)c1	ZINC000032462068	563442769	/nfs/dbraw/zinc/44/27/69/563442769.db2.gz	VCHPUCPQVISKDQ-UHFFFAOYSA-N	1	0	322.452	3.829	40	0		DHABRO
Cc1cc(OC[C@@H](O)C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1C(C)C	ZINC000037194689	563457970	/nfs/dbraw/zinc/45/79/70/563457970.db2.gz	IBEOLOWEHFZXPQ-BQFCYCMXSA-N	1	0	319.489	3.836	40	0		DHABRO
CC(C)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N3C)CC2)cc1	ZINC000585100058	563516774	/nfs/dbraw/zinc/51/67/74/563516774.db2.gz	DMNCDFGRNQTLRG-FQEVSTJZSA-N	1	0	314.473	3.787	40	0		DHABRO
CC(C)[N@H+](C)[C@@H]1CCN(Cc2cccnc2)[C@H]1Cc1ccccc1	ZINC000096061667	563532442	/nfs/dbraw/zinc/53/24/42/563532442.db2.gz	OBGRCIQEGQPHST-RTWAWAEBSA-N	1	0	323.484	3.607	40	0		DHABRO
FC1(F)CC[N@H+](CC2CC2)C[C@@]12CCN(c1ccccc1)C2	ZINC000096051118	563532626	/nfs/dbraw/zinc/53/26/26/563532626.db2.gz	CEEOSAWUYNNOJU-QGZVFWFLSA-N	1	0	306.400	3.634	40	0		DHABRO
COC[C@@H]1COCCC12CC[NH+](Cc1ccccc1Cl)CC2	ZINC000096106326	563533002	/nfs/dbraw/zinc/53/30/02/563533002.db2.gz	DUJXOAQVUZSHNP-MRXNPFEDSA-N	1	0	323.864	3.605	40	0		DHABRO
CO[C@H]1CC[N@H+](Cc2scnc2C)C[C@@H]1Cc1ccccc1	ZINC000096110497	563533149	/nfs/dbraw/zinc/53/31/49/563533149.db2.gz	MFPNBUVLKJQQBL-IRXDYDNUSA-N	1	0	316.470	3.531	40	0		DHABRO
CO[C@H]1CC[N@H+](Cc2nccs2)C[C@@H]1Cc1cccc(C)c1	ZINC000096110521	563533367	/nfs/dbraw/zinc/53/33/67/563533367.db2.gz	RKZLCRJSTNEONC-IRXDYDNUSA-N	1	0	316.470	3.531	40	0		DHABRO
c1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2ccccn2)C3)c1	ZINC000096216621	563535622	/nfs/dbraw/zinc/53/56/22/563535622.db2.gz	FNNJLNSPGQIVNU-GOSISDBHSA-N	1	0	313.470	3.636	40	0		DHABRO
O=C1CC2(CC[NH+](Cc3ccccc3)CC2)c2c1cccc2F	ZINC000096261788	563536500	/nfs/dbraw/zinc/53/65/00/563536500.db2.gz	ZSNHINMTDGYSPV-UHFFFAOYSA-N	1	0	309.384	3.946	40	0		DHABRO
Clc1ccc2ncc(-c3cccc([C@@H]4CCC[NH2+]C4)n3)n2c1	ZINC000585262907	563536959	/nfs/dbraw/zinc/53/69/59/563536959.db2.gz	DDUBMHGIDJINBH-GFCCVEGCSA-N	1	0	312.804	3.517	40	0		DHABRO
Cc1ccc(OCC2(O)CC[NH+](C3CCCCC3)CC2)c(C)c1	ZINC000585281888	563541222	/nfs/dbraw/zinc/54/12/22/563541222.db2.gz	SBOQDQCULUMFAL-UHFFFAOYSA-N	1	0	317.473	3.842	40	0		DHABRO
Cc1cccc2cc(C[NH2+]CCCc3ccccc3)c(=O)[nH]c12	ZINC000013998405	563549374	/nfs/dbraw/zinc/54/93/74/563549374.db2.gz	TYZCHOMZEWZWLZ-UHFFFAOYSA-N	1	0	306.409	3.559	40	0		DHABRO
COc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1	ZINC000000514860	563630334	/nfs/dbraw/zinc/63/03/34/563630334.db2.gz	GOTLRGWDAXMMRZ-UHFFFAOYSA-N	1	0	310.397	3.543	40	0		DHABRO
COc1cccc(C=O)c1OCCCC[N@@H+]1CCCC[C@@H]1C	ZINC000217792603	563714641	/nfs/dbraw/zinc/71/46/41/563714641.db2.gz	IHSUEFLVDRNMMB-HNNXBMFYSA-N	1	0	305.418	3.541	40	0		DHABRO
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)Cc1ccc(C)cc1C	ZINC000224802733	563744978	/nfs/dbraw/zinc/74/49/78/563744978.db2.gz	QMFUJFWDWIZMDJ-LJQANCHMSA-N	1	0	316.489	3.617	40	0		DHABRO
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)Cc1cccc(Cl)c1	ZINC000225867256	563765388	/nfs/dbraw/zinc/76/53/88/563765388.db2.gz	AQEFLXQKDVGABB-KRWDZBQOSA-N	1	0	322.880	3.653	40	0		DHABRO
Cc1cc([C@H]2c3ccccc3CCC[N@@H+]2[C@H]2CCOC2)ccn1	ZINC000248104090	563782854	/nfs/dbraw/zinc/78/28/54/563782854.db2.gz	OPOOVEDFDNTLAZ-ICSRJNTNSA-N	1	0	308.425	3.517	40	0		DHABRO
Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1	ZINC000257201854	563789529	/nfs/dbraw/zinc/78/95/29/563789529.db2.gz	AJHVJPPFSNFVRT-MRXNPFEDSA-N	1	0	306.413	3.646	40	0		DHABRO
Cc1cn(C)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1	ZINC000257210993	563790051	/nfs/dbraw/zinc/79/00/51/563790051.db2.gz	BXAMKAIQOGAYRC-SFHVURJKSA-N	1	0	306.413	3.614	40	0		DHABRO
Fc1cccc(Cc2cnc([C@@H]3CCC[N@@H+]3CC3CC3)o2)c1	ZINC000257245782	563791741	/nfs/dbraw/zinc/79/17/41/563791741.db2.gz	IRBCWEXNCKEBHV-KRWDZBQOSA-N	1	0	300.377	3.951	40	0		DHABRO
CC(C)(C)Nc1nc(NCc2ccccc2F)cc(C2CC2)[nH+]1	ZINC000328977700	563832686	/nfs/dbraw/zinc/83/26/86/563832686.db2.gz	FUYYIMUZODBCHW-UHFFFAOYSA-N	1	0	314.408	4.316	40	0		DHABRO
Cc1ccc(F)cc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1	ZINC000067801035	563868673	/nfs/dbraw/zinc/86/86/73/563868673.db2.gz	FXPOAKGEWABWHL-UHFFFAOYSA-N	1	0	322.424	3.623	40	0		DHABRO
CC(C)n1cnc2c1cc(C1CC[NH2+]CC1)nc2-c1cccnc1	ZINC000107489365	563914151	/nfs/dbraw/zinc/91/41/51/563914151.db2.gz	IEXINQAIZGTHER-UHFFFAOYSA-N	1	0	321.428	3.541	40	0		DHABRO
[NH3+]Cc1cnc2c(Cl)cc(Br)cc2c1Cl	ZINC000199524437	563914284	/nfs/dbraw/zinc/91/42/84/563914284.db2.gz	XZXZFKOGDZRXED-UHFFFAOYSA-N	1	0	305.990	3.763	40	0		DHABRO
c1cncc(-c2nccc(C[N@@H+]3CCC[C@H]4CCCC[C@H]43)n2)c1	ZINC000012670941	563922789	/nfs/dbraw/zinc/92/27/89/563922789.db2.gz	QOPIFIMHBKCQAS-CRAIPNDOSA-N	1	0	308.429	3.693	40	0		DHABRO
CC(C)(C)OC(=O)N1CCC(C[C@@H]([NH3+])c2ccc(F)cc2)CC1	ZINC000255188457	563927696	/nfs/dbraw/zinc/92/76/96/563927696.db2.gz	JZSIUEGVPNHNQX-MRXNPFEDSA-N	1	0	322.424	3.863	40	0		DHABRO
CC[NH+](CC)CCn1nc(C)c2c1nc1ccccc1c2Cl	ZINC000255188492	563927721	/nfs/dbraw/zinc/92/77/21/563927721.db2.gz	KEYMDLNUOHEWMK-UHFFFAOYSA-N	1	0	316.836	3.888	40	0		DHABRO
CC(C)c1cc(N2Cc3ccccc3C[C@@H]2C)nc(NC2CC2)[nH+]1	ZINC000328985784	563959915	/nfs/dbraw/zinc/95/99/15/563959915.db2.gz	HVGYQVGKIIAEGQ-AWEZNQCLSA-N	1	0	322.456	4.126	40	0		DHABRO