smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccc(F)cc1	ZINC000020228382	558349614	/nfs/dbraw/zinc/34/96/14/558349614.db2.gz	BOQDMGUQOSUKGY-UHFFFAOYSA-N	2	2	422.928	3.879	40	0		HHABLP
COc1ccccc1C1([NH2+]Cc2ccccc2OCC[NH+]2CCOCC2)CCCC1	ZINC000012292904	558365906	/nfs/dbraw/zinc/36/59/06/558365906.db2.gz	BROBDYUBDUYDLW-UHFFFAOYSA-N	2	2	410.558	3.965	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nnc(C2CCC2)s1	ZINC000019658430	558950506	/nfs/dbraw/zinc/95/05/06/558950506.db2.gz	QCZLFBJSXQRKPX-CQSZACIVSA-N	2	2	410.547	3.575	40	0		HHABLP
O=C(C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nnc(C2CCC2)s1	ZINC000019658430	558950507	/nfs/dbraw/zinc/95/05/07/558950507.db2.gz	QCZLFBJSXQRKPX-CQSZACIVSA-N	2	2	410.547	3.575	40	0		HHABLP
CCN(CC)S(=O)(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374905	558962982	/nfs/dbraw/zinc/96/29/82/558962982.db2.gz	PFMWMUUWCIXXNQ-SFHVURJKSA-N	2	2	417.579	3.603	40	0		HHABLP
CC(C)(C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585101962	559025073	/nfs/dbraw/zinc/02/50/73/559025073.db2.gz	KZSGGDKKUFQAMO-QFIPXVFZSA-N	2	2	424.589	3.653	40	0		HHABLP
CC(C)(C)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585101962	559025076	/nfs/dbraw/zinc/02/50/76/559025076.db2.gz	KZSGGDKKUFQAMO-QFIPXVFZSA-N	2	2	424.589	3.653	40	0		HHABLP
Cc1ccc(OCC2(O)CC[NH+](Cc3cccc(OCCn4cc[nH+]c4)c3)CC2)cc1	ZINC000585274534	559118617	/nfs/dbraw/zinc/11/86/17/559118617.db2.gz	ZSRHYIFUCARVPC-UHFFFAOYSA-N	2	2	421.541	3.676	40	0		HHABLP
Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)c2)n1	ZINC000585290296	559122840	/nfs/dbraw/zinc/12/28/40/559122840.db2.gz	ABOCREYKFSRRNG-IPLHWJFFSA-N	2	2	417.517	3.683	40	0		HHABLP
COc1ccc([C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[N@@H+]2C)cc1	ZINC000257249630	559284521	/nfs/dbraw/zinc/28/45/21/559284521.db2.gz	JJDBVFLUVKMKBA-XMMPIXPASA-N	2	2	421.585	3.813	40	0		HHABLP
COc1ccc([C@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[N@H+]2C)cc1	ZINC000257249630	559284523	/nfs/dbraw/zinc/28/45/23/559284523.db2.gz	JJDBVFLUVKMKBA-XMMPIXPASA-N	2	2	421.585	3.813	40	0		HHABLP
CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1	ZINC000019719750	558258159	/nfs/dbraw/zinc/25/81/59/558258159.db2.gz	MXTIYYWELNSCIY-CQSZACIVSA-N	2	2	412.563	3.605	40	0		HHABLP
CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1	ZINC000019719750	558258162	/nfs/dbraw/zinc/25/81/62/558258162.db2.gz	MXTIYYWELNSCIY-CQSZACIVSA-N	2	2	412.563	3.605	40	0		HHABLP
COc1ccccc1C[C@H](C)Nc1cc(Cn2c(C)[nH+]c3ccccc32)[nH+]c(N)n1	ZINC000019655493	558948841	/nfs/dbraw/zinc/94/88/41/558948841.db2.gz	QPMPLVHIPWTPSI-HNNXBMFYSA-N	2	2	402.502	3.817	40	0		HHABLP
Cc1nn(C)cc1C(=O)N1CCC[C@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374952	558963327	/nfs/dbraw/zinc/96/33/27/558963327.db2.gz	OIGNKSRLKIVXRE-SFHVURJKSA-N	2	2	404.518	3.899	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000257211476	568779331	/nfs/dbraw/zinc/77/93/31/568779331.db2.gz	BZABKBXNAPDSEK-DEOSSOPVSA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000257211476	568779333	/nfs/dbraw/zinc/77/93/33/568779333.db2.gz	BZABKBXNAPDSEK-DEOSSOPVSA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2	ZINC000257211476	568779334	/nfs/dbraw/zinc/77/93/34/568779334.db2.gz	BZABKBXNAPDSEK-DEOSSOPVSA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2	ZINC000257211476	568779336	/nfs/dbraw/zinc/77/93/36/568779336.db2.gz	BZABKBXNAPDSEK-DEOSSOPVSA-N	2	2	401.514	3.668	40	0		HHABLP
COc1ccc(C[N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1	ZINC000035425720	291254672	/nfs/dbraw/zinc/25/46/72/291254672.db2.gz	SOZRPWCMEPMHBG-IBGZPJMESA-N	2	2	402.458	3.663	40	0	biogenic,in-vitro	HHABLP
COc1ccc(C[N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4cc[nH+]c4)nc3)no2)cc1	ZINC000035425720	291254674	/nfs/dbraw/zinc/25/46/74/291254674.db2.gz	SOZRPWCMEPMHBG-IBGZPJMESA-N	2	2	402.458	3.663	40	0	biogenic,in-vitro	HHABLP
CCOc1ccc(C[NH+]2CCC(O)(c3ccccc3OC)CC2)cc1Cn1cc[nH+]c1	ZINC000012143839	558335709	/nfs/dbraw/zinc/33/57/09/558335709.db2.gz	HYRFBQGUAKVINA-UHFFFAOYSA-N	2	2	421.541	3.822	40	0		HHABLP
O=C(c1ccc(Cn2cc[nH+]c2)o1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1	ZINC000019346474	558873603	/nfs/dbraw/zinc/87/36/03/558873603.db2.gz	NHOQPHOGMOUNLN-UHFFFAOYSA-N	2	2	421.888	3.688	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)[nH+]1	ZINC000072374857	558963108	/nfs/dbraw/zinc/96/31/08/558963108.db2.gz	WHDISMRIMGVCFG-LJQANCHMSA-N	2	2	422.577	3.894	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)[nH+]1	ZINC000072374857	558963110	/nfs/dbraw/zinc/96/31/10/558963110.db2.gz	WHDISMRIMGVCFG-LJQANCHMSA-N	2	2	422.577	3.894	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000257211477	568779318	/nfs/dbraw/zinc/77/93/18/568779318.db2.gz	BZABKBXNAPDSEK-XMMPIXPASA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CC1	ZINC000257211477	568779319	/nfs/dbraw/zinc/77/93/19/568779319.db2.gz	BZABKBXNAPDSEK-XMMPIXPASA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CCC[N@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2	ZINC000257211477	568779321	/nfs/dbraw/zinc/77/93/21/568779321.db2.gz	BZABKBXNAPDSEK-XMMPIXPASA-N	2	2	401.514	3.668	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3)CC1)O2	ZINC000257211477	568779323	/nfs/dbraw/zinc/77/93/23/568779323.db2.gz	BZABKBXNAPDSEK-XMMPIXPASA-N	2	2	401.514	3.668	40	0		HHABLP
c1coc(C[N@H+]2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1	ZINC000306130787	568893126	/nfs/dbraw/zinc/89/31/26/568893126.db2.gz	JPIQIGHNGFUKIC-RUZDIDTESA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[N@@H+]2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1	ZINC000306130787	568893128	/nfs/dbraw/zinc/89/31/28/568893128.db2.gz	JPIQIGHNGFUKIC-RUZDIDTESA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[NH+]2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1	ZINC000306130787	568893130	/nfs/dbraw/zinc/89/31/30/568893130.db2.gz	JPIQIGHNGFUKIC-RUZDIDTESA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[NH+]2CC3(C[NH+](CC4CC4)C3)[C@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1	ZINC000306130787	568893133	/nfs/dbraw/zinc/89/31/33/568893133.db2.gz	JPIQIGHNGFUKIC-RUZDIDTESA-N	3	2	420.601	3.875	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2	ZINC000019582384	558937315	/nfs/dbraw/zinc/93/73/15/558937315.db2.gz	CQUARCJEMXKSLK-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2	ZINC000019582384	558937319	/nfs/dbraw/zinc/93/73/19/558937319.db2.gz	CQUARCJEMXKSLK-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374852	558963000	/nfs/dbraw/zinc/96/30/00/558963000.db2.gz	SPVSLIQGBBWRLI-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374852	558963002	/nfs/dbraw/zinc/96/30/02/558963002.db2.gz	SPVSLIQGBBWRLI-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cccs1)CCC2	ZINC000096056074	559093935	/nfs/dbraw/zinc/09/39/35/559093935.db2.gz	DIVWLYLGHBCABJ-CVDCTZTESA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1cccs1)CCC2	ZINC000096056074	559093937	/nfs/dbraw/zinc/09/39/37/559093937.db2.gz	DIVWLYLGHBCABJ-CVDCTZTESA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1cccs1)CCC2	ZINC000096056074	559093939	/nfs/dbraw/zinc/09/39/39/559093939.db2.gz	DIVWLYLGHBCABJ-CVDCTZTESA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2	ZINC000096056074	559093941	/nfs/dbraw/zinc/09/39/41/559093941.db2.gz	DIVWLYLGHBCABJ-CVDCTZTESA-N	2	2	413.587	3.729	40	0		HHABLP
COc1ccc([C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[N@@H+]2C)cc1	ZINC000257249629	559284602	/nfs/dbraw/zinc/28/46/02/559284602.db2.gz	JJDBVFLUVKMKBA-DEOSSOPVSA-N	2	2	421.585	3.813	40	0		HHABLP
COc1ccc([C@@H]2CN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)CC[N@H+]2C)cc1	ZINC000257249629	559284604	/nfs/dbraw/zinc/28/46/04/559284604.db2.gz	JJDBVFLUVKMKBA-DEOSSOPVSA-N	2	2	421.585	3.813	40	0		HHABLP
CC(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(-c2cccc(OC(F)(F)F)c2)[nH+]1	ZINC000329006301	568972173	/nfs/dbraw/zinc/97/21/73/568972173.db2.gz	LCPODYNXYXFZBG-UHFFFAOYSA-N	2	2	423.483	3.508	40	0		HHABLP
COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1ccccc1F	ZINC000020228406	558349565	/nfs/dbraw/zinc/34/95/65/558349565.db2.gz	VBVGWPSWVXWACW-UHFFFAOYSA-N	2	2	422.928	3.879	40	0		HHABLP
Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000036752906	558803018	/nfs/dbraw/zinc/80/30/18/558803018.db2.gz	FBQPBSHKLNGLOW-KRWDZBQOSA-N	2	2	411.575	3.619	40	0		HHABLP
Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000036752906	558803019	/nfs/dbraw/zinc/80/30/19/558803019.db2.gz	FBQPBSHKLNGLOW-KRWDZBQOSA-N	2	2	411.575	3.619	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@H]2c2ccc(Nc3[nH+]cccc3C)cn2)cn1	ZINC000072353190	558949830	/nfs/dbraw/zinc/94/98/30/558949830.db2.gz	MEZLUCFNTPIQRW-NRFANRHFSA-N	2	2	404.518	3.845	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@H]2c2ccc(Nc3[nH+]cccc3C)cn2)cn1	ZINC000072353190	558949834	/nfs/dbraw/zinc/94/98/34/558949834.db2.gz	MEZLUCFNTPIQRW-NRFANRHFSA-N	2	2	404.518	3.845	40	0		HHABLP
Cc1cc(Br)ccc1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000329037501	571305703	/nfs/dbraw/zinc/30/57/03/571305703.db2.gz	RNMNNRUGNQSOHT-UHFFFAOYSA-N	2	2	404.356	4.532	40	0		HHABLP
Cc1nc2c(c(N3CCC([NH+]4CCCCC4)CC3)n1)C[N@H+](Cc1ccccc1)CC2	ZINC000012183322	132355986	/nfs/dbraw/zinc/35/59/86/132355986.db2.gz	AUDGHKWGXIAUIX-UHFFFAOYSA-N	2	2	405.590	3.798	40	0		HHABLP
Cc1nc2c(c(N3CCC([NH+]4CCCCC4)CC3)n1)C[N@@H+](Cc1ccccc1)CC2	ZINC000012183322	132355988	/nfs/dbraw/zinc/35/59/88/132355988.db2.gz	AUDGHKWGXIAUIX-UHFFFAOYSA-N	2	2	405.590	3.798	40	0		HHABLP
Cn1c2ccc(C[N@H+](CCCn3cc[nH+]c3)Cc3ccccc3Cl)cc2n(C)c1=O	ZINC000043277791	527100115	/nfs/dbraw/zinc/10/01/15/527100115.db2.gz	WAFDXTYGZIUOJA-UHFFFAOYSA-N	2	2	423.948	3.819	40	0		HHABLP
Cn1c2ccc(C[N@@H+](CCCn3cc[nH+]c3)Cc3ccccc3Cl)cc2n(C)c1=O	ZINC000043277791	527100121	/nfs/dbraw/zinc/10/01/21/527100121.db2.gz	WAFDXTYGZIUOJA-UHFFFAOYSA-N	2	2	423.948	3.819	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1	ZINC000072353457	558950386	/nfs/dbraw/zinc/95/03/86/558950386.db2.gz	AQAWUDXJPGXXRS-FQEVSTJZSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1	ZINC000072353457	558950390	/nfs/dbraw/zinc/95/03/90/558950390.db2.gz	AQAWUDXJPGXXRS-FQEVSTJZSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cn1	ZINC000072353454	558950435	/nfs/dbraw/zinc/95/04/35/558950435.db2.gz	RSKNVTBZDLTRCB-HXUWFJFHSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cn1	ZINC000072353454	558950438	/nfs/dbraw/zinc/95/04/38/558950438.db2.gz	RSKNVTBZDLTRCB-HXUWFJFHSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4cccc(C)[nH+]4)cn3)CC2)cn1	ZINC000072374322	558961724	/nfs/dbraw/zinc/96/17/24/558961724.db2.gz	SQACNOOCLBQCIV-UHFFFAOYSA-N	2	2	418.545	3.887	40	0		HHABLP
O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@H]1c1cncc(-n2cc[nH+]c2)n1	ZINC000257298591	568803958	/nfs/dbraw/zinc/80/39/58/568803958.db2.gz	RMJXJENTGXBRFK-QFIPXVFZSA-N	2	2	416.529	3.626	40	0		HHABLP
Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCCn2c3ccccc3[nH+]c2C(C)C)[C@H]1O	ZINC000257305265	568806164	/nfs/dbraw/zinc/80/61/64/568806164.db2.gz	SPEXCQGFIBCUSC-KJXAQDMKSA-N	2	2	423.561	3.716	40	0		HHABLP
Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@@H](c3cc[nH+]c(N(C)C)c3)C2)c1	ZINC000257328123	568812612	/nfs/dbraw/zinc/81/26/12/568812612.db2.gz	XEGRJCSKCFBZLT-JOCHJYFZSA-N	2	2	403.530	3.721	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@H+](Cc1cccs1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306134618	568896620	/nfs/dbraw/zinc/89/66/20/568896620.db2.gz	NTRMSILTWPFDIN-UHFFFAOYSA-N	2	2	408.571	3.737	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@@H+](Cc1cccs1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306134618	568896622	/nfs/dbraw/zinc/89/66/22/568896622.db2.gz	NTRMSILTWPFDIN-UHFFFAOYSA-N	2	2	408.571	3.737	40	0		HHABLP
Cc1nc2sccn2c1C[NH+]1CCC(Cc2cc(N3CCCC3)nc(C)[nH+]2)CC1	ZINC000019758905	558275266	/nfs/dbraw/zinc/27/52/66/558275266.db2.gz	QJFSJSBVEQQKBF-UHFFFAOYSA-N	2	2	410.591	3.858	40	0		HHABLP
C[C@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2	ZINC000019455935	558891805	/nfs/dbraw/zinc/89/18/05/558891805.db2.gz	WYPJNLCHGCWSPM-QGZVFWFLSA-N	2	2	420.536	3.598	40	0		HHABLP
C[C@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2	ZINC000019455935	558891807	/nfs/dbraw/zinc/89/18/07/558891807.db2.gz	WYPJNLCHGCWSPM-QGZVFWFLSA-N	2	2	420.536	3.598	40	0		HHABLP
CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@@H+]1C	ZINC000072325670	558933366	/nfs/dbraw/zinc/93/33/66/558933366.db2.gz	PNTGDHHSLQECGQ-WMLDXEAASA-N	2	2	400.548	3.690	40	0		HHABLP
CN(C(=O)c1ccc(C[NH+]2CCCCC2)o1)c1nc2c(s1)[C@H]1CC[C@@H](C2)[N@H+]1C	ZINC000072325670	558933369	/nfs/dbraw/zinc/93/33/69/558933369.db2.gz	PNTGDHHSLQECGQ-WMLDXEAASA-N	2	2	400.548	3.690	40	0		HHABLP
Cc1noc(CCC(=O)N2CCC[C@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)n1	ZINC000072375062	558963394	/nfs/dbraw/zinc/96/33/94/558963394.db2.gz	ROHLOYNCMXQTGJ-SFHVURJKSA-N	2	2	420.517	3.867	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1F	ZINC000022075703	568473913	/nfs/dbraw/zinc/47/39/13/568473913.db2.gz	QBZLEARFFFDVHA-HNNXBMFYSA-N	2	2	410.917	3.517	40	0		HHABLP
Cc1ccc(C)n1-n1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000225151698	568618225	/nfs/dbraw/zinc/61/82/25/568618225.db2.gz	MDIBVYMKJJKNBR-WTGUMLROSA-N	2	2	412.626	3.964	40	0		HHABLP
CCn1cc(C[N@@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](CC(C)C)CC3)C2)cn1	ZINC000306130385	568892757	/nfs/dbraw/zinc/89/27/57/568892757.db2.gz	JESCLDDOINXWCH-UHFFFAOYSA-N	2	2	412.626	3.994	40	0		HHABLP
CCn1cc(C[N@H+]2Cc3c(nc(C)n3C(C)C)C3(CC[NH+](CC(C)C)CC3)C2)cn1	ZINC000306130385	568892759	/nfs/dbraw/zinc/89/27/59/568892759.db2.gz	JESCLDDOINXWCH-UHFFFAOYSA-N	2	2	412.626	3.994	40	0		HHABLP
CNc1cc(CC2CC[NH+](Cc3cnc(-c4ccc(OC)cc4)nc3)CC2)[nH+]c(C)n1	ZINC000019758929	569348832	/nfs/dbraw/zinc/34/88/32/569348832.db2.gz	GQWFPPQWIODCGG-UHFFFAOYSA-N	2	2	418.545	3.747	40	0		HHABLP
Fc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2cnc(N3CCCCC3)nc2)cc1	ZINC000036740146	558801592	/nfs/dbraw/zinc/80/15/92/558801592.db2.gz	HRLOTFJGRVTQLX-UHFFFAOYSA-N	2	2	408.525	3.895	40	0		HHABLP
Fc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2cnc(N3CCCCC3)nc2)cc1	ZINC000036740146	558801594	/nfs/dbraw/zinc/80/15/94/558801594.db2.gz	HRLOTFJGRVTQLX-UHFFFAOYSA-N	2	2	408.525	3.895	40	0		HHABLP
CC[N@@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O	ZINC000019527242	558908385	/nfs/dbraw/zinc/90/83/85/558908385.db2.gz	BWSFVZKPQBIRNF-IBGZPJMESA-N	2	2	407.562	3.585	40	0		HHABLP
CC[N@H+]1CCC[C@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O	ZINC000019527242	558908388	/nfs/dbraw/zinc/90/83/88/558908388.db2.gz	BWSFVZKPQBIRNF-IBGZPJMESA-N	2	2	407.562	3.585	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1	ZINC000257293253	568802476	/nfs/dbraw/zinc/80/24/76/568802476.db2.gz	QOSRBPGVFOGQKI-UHFFFAOYSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1[nH+]ccn1Cc1cccc(C(=O)N2CCC[C@H](c3cc[nH+]c(N(C)C)c3)C2)c1	ZINC000257328124	568812712	/nfs/dbraw/zinc/81/27/12/568812712.db2.gz	XEGRJCSKCFBZLT-QFIPXVFZSA-N	2	2	403.530	3.721	40	0		HHABLP
COc1ccc(Cl)cc1Nc1cc(-c2ccccc2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000329018369	568972817	/nfs/dbraw/zinc/97/28/17/568972817.db2.gz	NQYAIOAMJUAKHB-UHFFFAOYSA-N	2	2	411.937	3.757	40	0		HHABLP
CC(C)(C)c1nnc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1	ZINC000019719749	558258177	/nfs/dbraw/zinc/25/81/77/558258177.db2.gz	MXTIYYWELNSCIY-AWEZNQCLSA-N	2	2	412.563	3.605	40	0		HHABLP
CC(C)(C)c1nnc(NC(=O)C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)s1	ZINC000019719749	558258180	/nfs/dbraw/zinc/25/81/80/558258180.db2.gz	MXTIYYWELNSCIY-AWEZNQCLSA-N	2	2	412.563	3.605	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]CCO)ccc1OCc1ccc(Cl)cc1Cl	ZINC000022075389	558462439	/nfs/dbraw/zinc/46/24/39/558462439.db2.gz	YUEWAFGLLWQSHK-UHFFFAOYSA-N	2	2	413.345	3.643	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)cn1	ZINC000257245974	568789003	/nfs/dbraw/zinc/78/90/03/568789003.db2.gz	IRYAAFGRTCZHEW-GOSISDBHSA-N	2	2	422.508	3.636	40	0		HHABLP
COCCc1ncc(C[N@H+]2CC[C@@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)cn1	ZINC000257245974	568789004	/nfs/dbraw/zinc/78/90/04/568789004.db2.gz	IRYAAFGRTCZHEW-GOSISDBHSA-N	2	2	422.508	3.636	40	0		HHABLP
OC1(c2csc(C[N@@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccn2)CC1	ZINC000225473931	291260268	/nfs/dbraw/zinc/26/02/68/291260268.db2.gz	FCEUYHPXYVNGBC-UHFFFAOYSA-N	2	2	420.582	3.580	40	0	biogenic,in-vitro	HHABLP
OC1(c2csc(C[N@H+]3CCc4ccccc4C3)n2)CC[NH+](Cc2ccccn2)CC1	ZINC000225473931	291260271	/nfs/dbraw/zinc/26/02/71/291260271.db2.gz	FCEUYHPXYVNGBC-UHFFFAOYSA-N	2	2	420.582	3.580	40	0	biogenic,in-vitro	HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1CC[N@H+](Cc1ccccc1F)C2	ZINC000012233214	558358294	/nfs/dbraw/zinc/35/82/94/558358294.db2.gz	IMOIMPJUIKMYGV-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1CC[N@@H+](Cc1ccccc1F)C2	ZINC000012233214	558358296	/nfs/dbraw/zinc/35/82/96/558358296.db2.gz	IMOIMPJUIKMYGV-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
CC(C)c1[nH+]c2ccccc2n1C[C@H](C)C(=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000019453875	558891253	/nfs/dbraw/zinc/89/12/53/558891253.db2.gz	RFAHZRFTJRQJRH-IBGZPJMESA-N	2	2	419.573	3.972	40	0		HHABLP
COc1cc(C[N@@H+]2CCc3sccc3[C@H]2C)ccc1OCC[NH+]1CCOCC1	ZINC000019498360	558897022	/nfs/dbraw/zinc/89/70/22/558897022.db2.gz	NZVHLCBNGYTHNR-QGZVFWFLSA-N	2	2	402.560	3.587	40	0		HHABLP
COc1cc(C[N@H+]2CCc3sccc3[C@H]2C)ccc1OCC[NH+]1CCOCC1	ZINC000019498360	558897025	/nfs/dbraw/zinc/89/70/25/558897025.db2.gz	NZVHLCBNGYTHNR-QGZVFWFLSA-N	2	2	402.560	3.587	40	0		HHABLP
COc1ccc(NC(=O)C[NH+]2CCC(n3c(C)[nH+]c4ccccc43)CC2)c(OC)c1	ZINC000004858203	560612139	/nfs/dbraw/zinc/61/21/39/560612139.db2.gz	GYOSNMWAFYZYPZ-UHFFFAOYSA-N	2	2	408.502	3.638	40	0		HHABLP
Cc1ccc(C)n1-n1c(C[NH+]2C[C@H](C)C[C@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000225151661	568618204	/nfs/dbraw/zinc/61/82/04/568618204.db2.gz	MDIBVYMKJJKNBR-FGYAAKKASA-N	2	2	412.626	3.964	40	0		HHABLP
Cc1ccc(C)n1-n1c(C[NH+]2C[C@H](C)C[C@H](C)C2)nnc1C[N@@H+]1C[C@H](C)C[C@H](C)C1	ZINC000225151661	568618205	/nfs/dbraw/zinc/61/82/05/568618205.db2.gz	MDIBVYMKJJKNBR-FGYAAKKASA-N	2	2	412.626	3.964	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC1	ZINC000257219383	568781862	/nfs/dbraw/zinc/78/18/62/568781862.db2.gz	DGOWCOKLDXQEQJ-XMMPIXPASA-N	2	2	417.513	3.793	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1	ZINC000257219383	568781863	/nfs/dbraw/zinc/78/18/63/568781863.db2.gz	DGOWCOKLDXQEQJ-XMMPIXPASA-N	2	2	417.513	3.793	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@]1(CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2	ZINC000257219383	568781865	/nfs/dbraw/zinc/78/18/65/568781865.db2.gz	DGOWCOKLDXQEQJ-XMMPIXPASA-N	2	2	417.513	3.793	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)cn1	ZINC000257251652	568790742	/nfs/dbraw/zinc/79/07/42/568790742.db2.gz	JRPHEKOPDFRTIP-GOSISDBHSA-N	2	2	424.574	3.949	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)cn1	ZINC000257251652	568790743	/nfs/dbraw/zinc/79/07/43/568790743.db2.gz	JRPHEKOPDFRTIP-GOSISDBHSA-N	2	2	424.574	3.949	40	0		HHABLP
c1coc(C[N@H+]2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1	ZINC000306130788	568893221	/nfs/dbraw/zinc/89/32/21/568893221.db2.gz	JPIQIGHNGFUKIC-VWLOTQADSA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[N@@H+]2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[NH+](Cc2cccnc2)CC3)c1	ZINC000306130788	568893222	/nfs/dbraw/zinc/89/32/22/568893222.db2.gz	JPIQIGHNGFUKIC-VWLOTQADSA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[NH+]2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[N@H+](Cc2cccnc2)CC3)c1	ZINC000306130788	568893223	/nfs/dbraw/zinc/89/32/23/568893223.db2.gz	JPIQIGHNGFUKIC-VWLOTQADSA-N	3	2	420.601	3.875	40	0		HHABLP
c1coc(C[NH+]2CC3(C[NH+](CC4CC4)C3)[C@@]3(C2)CCC[N@@H+](Cc2cccnc2)CC3)c1	ZINC000306130788	568893225	/nfs/dbraw/zinc/89/32/25/568893225.db2.gz	JPIQIGHNGFUKIC-VWLOTQADSA-N	3	2	420.601	3.875	40	0		HHABLP
CC[NH+](CC)C[C@H](O)CNc1nc[nH+]c(N)c1C(=C(C)C)c1ccc(Cl)cc1	ZINC000001555750	557272276	/nfs/dbraw/zinc/27/22/76/557272276.db2.gz	OZCYQQPQEXYTSQ-QGZVFWFLSA-N	2	2	403.958	3.669	40	0		HHABLP
CC[NH+](CC)C[C@H](O)CNc1[nH+]cnc(N)c1C(=C(C)C)c1ccc(Cl)cc1	ZINC000001555750	557272280	/nfs/dbraw/zinc/27/22/80/557272280.db2.gz	OZCYQQPQEXYTSQ-QGZVFWFLSA-N	2	2	403.958	3.669	40	0		HHABLP
COc1cc(C[NH2+]CCC[NH+]2CCOCC2)ccc1OCc1ccc(F)cc1Cl	ZINC000008471720	557792312	/nfs/dbraw/zinc/79/23/12/557792312.db2.gz	CTFSCAHRXSIKQM-UHFFFAOYSA-N	2	2	422.928	3.879	40	0		HHABLP
C[NH+](C)CC1CCC2(CC1)CN(C(=O)CCCn1cc[nH+]c1)Cc1ccccc1O2	ZINC000012127651	558331544	/nfs/dbraw/zinc/33/15/44/558331544.db2.gz	KAXXKOXQESFOSR-UHFFFAOYSA-N	2	2	410.562	3.575	40	0		HHABLP
COc1ccc(C[N@@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1cc[nH+]c1C	ZINC000019288189	558861136	/nfs/dbraw/zinc/86/11/36/558861136.db2.gz	UPXNOZDPOOIRNP-HSZRJFAPSA-N	2	2	406.530	3.825	40	0		HHABLP
COc1ccc(C[N@H+](Cc2ccccn2)C[C@H]2CCCO2)cc1Cn1cc[nH+]c1C	ZINC000019288189	558861140	/nfs/dbraw/zinc/86/11/40/558861140.db2.gz	UPXNOZDPOOIRNP-HSZRJFAPSA-N	2	2	406.530	3.825	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nc2c(s1)CCCC2	ZINC000019657928	558950064	/nfs/dbraw/zinc/95/00/64/558950064.db2.gz	VHAYURDBCHMJTR-HNNXBMFYSA-N	2	2	409.559	3.791	40	0		HHABLP
O=C(C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nc2c(s1)CCCC2	ZINC000019657928	558950066	/nfs/dbraw/zinc/95/00/66/558950066.db2.gz	VHAYURDBCHMJTR-HNNXBMFYSA-N	2	2	409.559	3.791	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374854	558962938	/nfs/dbraw/zinc/96/29/38/558962938.db2.gz	QKDMYOHWJRACFD-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374854	558962942	/nfs/dbraw/zinc/96/29/42/558962942.db2.gz	QKDMYOHWJRACFD-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
COc1ccc(C[NH+]2CCC(c3nc(N(C)C)ncc3-c3ccc(N)[nH+]c3)CC2)cc1	ZINC000019695256	558963938	/nfs/dbraw/zinc/96/39/38/558963938.db2.gz	WIQSFRDUUJWADJ-UHFFFAOYSA-N	2	2	418.545	3.575	40	0		HHABLP
CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000019707421	558969749	/nfs/dbraw/zinc/96/97/49/558969749.db2.gz	HNQCSZHWFPEVQP-OAQYLSRUSA-N	2	2	407.562	3.823	40	0		HHABLP
CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000019707421	558969750	/nfs/dbraw/zinc/96/97/50/558969750.db2.gz	HNQCSZHWFPEVQP-OAQYLSRUSA-N	2	2	407.562	3.823	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000096080522	559094978	/nfs/dbraw/zinc/09/49/78/559094978.db2.gz	PJEDUDSGQOSVRV-URXFXBBRSA-N	2	2	423.988	3.690	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2[C@H](C[N@@H+]2C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000096080522	559094980	/nfs/dbraw/zinc/09/49/80/559094980.db2.gz	PJEDUDSGQOSVRV-URXFXBBRSA-N	2	2	423.988	3.690	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107798280	559166025	/nfs/dbraw/zinc/16/60/25/559166025.db2.gz	PJEDUDSGQOSVRV-ZJSXRUAMSA-N	2	2	423.988	3.690	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107798280	559166027	/nfs/dbraw/zinc/16/60/27/559166027.db2.gz	PJEDUDSGQOSVRV-ZJSXRUAMSA-N	2	2	423.988	3.690	40	0		HHABLP
CCOc1ccc(C[NH+]2CCC(Cc3cc(N4CCCC4)nc(C)[nH+]3)CC2)cc1CO	ZINC000019758810	558275289	/nfs/dbraw/zinc/27/52/89/558275289.db2.gz	BDBXUGUZSMUPJF-UHFFFAOYSA-N	2	2	424.589	3.731	40	0		HHABLP
Cc1[nH+]ccn1Cc1ccc(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1	ZINC000030944720	558746150	/nfs/dbraw/zinc/74/61/50/558746150.db2.gz	SLTGUPYTFBPLMD-VMPITWQZSA-N	2	2	400.526	3.711	40	0		HHABLP
CC(C)(CN(Cc1ccccn1)C1CC(C)(C)[NH2+]C(C)(C)C1)C[NH+]1CCOCC1	ZINC000036740508	558801867	/nfs/dbraw/zinc/80/18/67/558801867.db2.gz	AJKWZTBHXXMQPD-UHFFFAOYSA-N	2	2	402.627	3.551	40	0		HHABLP
Cc1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000036752902	558802975	/nfs/dbraw/zinc/80/29/75/558802975.db2.gz	FBQPBSHKLNGLOW-QGZVFWFLSA-N	2	2	411.575	3.619	40	0		HHABLP
Cc1nc(N2CCOCC2)sc1C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1	ZINC000036752902	558802976	/nfs/dbraw/zinc/80/29/76/558802976.db2.gz	FBQPBSHKLNGLOW-QGZVFWFLSA-N	2	2	411.575	3.619	40	0		HHABLP
Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C	ZINC000019658015	558950017	/nfs/dbraw/zinc/95/00/17/558950017.db2.gz	KGGILXOIUZSRCA-KRWDZBQOSA-N	2	2	416.529	3.651	40	0		HHABLP
Cc1[nH+]c2cc(NC(=O)C[N@H+]3CCC[C@@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C	ZINC000019658015	558950021	/nfs/dbraw/zinc/95/00/21/558950021.db2.gz	KGGILXOIUZSRCA-KRWDZBQOSA-N	2	2	416.529	3.651	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2	ZINC000096056079	559093823	/nfs/dbraw/zinc/09/38/23/559093823.db2.gz	LVEZXCKLGMKDIA-RDPSFJRHSA-N	2	2	411.546	3.569	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccc(C)o1)CCC2	ZINC000096056079	559093825	/nfs/dbraw/zinc/09/38/25/559093825.db2.gz	LVEZXCKLGMKDIA-RDPSFJRHSA-N	2	2	411.546	3.569	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccc(C)o1)CCC2	ZINC000096056079	559093827	/nfs/dbraw/zinc/09/38/27/559093827.db2.gz	LVEZXCKLGMKDIA-RDPSFJRHSA-N	2	2	411.546	3.569	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2	ZINC000096056079	559093829	/nfs/dbraw/zinc/09/38/29/559093829.db2.gz	LVEZXCKLGMKDIA-RDPSFJRHSA-N	2	2	411.546	3.569	40	0		HHABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)[nH+]1	ZINC000585291850	559124248	/nfs/dbraw/zinc/12/42/48/559124248.db2.gz	UJJZARLIDQMKBO-NDDJGDGRSA-N	2	2	416.529	3.990	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)[nH+]1	ZINC000257304176	568805609	/nfs/dbraw/zinc/80/56/09/568805609.db2.gz	SKJJNMWQJIESGS-UHFFFAOYSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1cccn1C)CC21CC[NH+](CC(C)C)CC1	ZINC000306134352	568896324	/nfs/dbraw/zinc/89/63/24/568896324.db2.gz	NKMIVQBFNDCZAJ-UHFFFAOYSA-N	2	2	411.594	3.757	40	0		HHABLP
O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)c1ccco1	ZINC000067870791	291258940	/nfs/dbraw/zinc/25/89/40/291258940.db2.gz	KBWSMJCOXGKZOY-KMDXXIMOSA-N	2	2	421.585	3.675	40	0	biogenic,in-vitro	HHABLP
O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCC(Cc2ccccc2)CC1)c1ccco1	ZINC000067870791	291258943	/nfs/dbraw/zinc/25/89/43/291258943.db2.gz	KBWSMJCOXGKZOY-KMDXXIMOSA-N	2	2	421.585	3.675	40	0	biogenic,in-vitro	HHABLP
CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1	ZINC000072374838	558962916	/nfs/dbraw/zinc/96/29/16/558962916.db2.gz	RHTYYLUQKBQPHZ-LJQANCHMSA-N	2	2	410.566	3.588	40	0		HHABLP
CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1	ZINC000072374838	558962918	/nfs/dbraw/zinc/96/29/18/558962918.db2.gz	RHTYYLUQKBQPHZ-LJQANCHMSA-N	2	2	410.566	3.588	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374871	558963062	/nfs/dbraw/zinc/96/30/62/558963062.db2.gz	ZWQMHRTWYRHJDX-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374871	558963063	/nfs/dbraw/zinc/96/30/63/558963063.db2.gz	ZWQMHRTWYRHJDX-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1noc(CCC(=O)N2CCC[C@@H](c3cc(Nc4[nH+]cccc4C)cc(C)[nH+]3)C2)n1	ZINC000072375061	558963361	/nfs/dbraw/zinc/96/33/61/558963361.db2.gz	ROHLOYNCMXQTGJ-GOSISDBHSA-N	2	2	420.517	3.867	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1Cl	ZINC000022075736	568473930	/nfs/dbraw/zinc/47/39/30/568473930.db2.gz	HCZQIGPHYIBHDQ-CQSZACIVSA-N	2	2	413.345	3.641	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000022075674	568473944	/nfs/dbraw/zinc/47/39/44/568473944.db2.gz	BLECLZNDXLFNGZ-OAHLLOKOSA-N	2	2	410.917	3.517	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](Cc2cccc(Oc3ccccc3)c2)CC1	ZINC000257219382	568781794	/nfs/dbraw/zinc/78/17/94/568781794.db2.gz	DGOWCOKLDXQEQJ-DEOSSOPVSA-N	2	2	417.513	3.793	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC1	ZINC000257219382	568781795	/nfs/dbraw/zinc/78/17/95/568781795.db2.gz	DGOWCOKLDXQEQJ-DEOSSOPVSA-N	2	2	417.513	3.793	40	0		HHABLP
Nc1nc2c(c(N)[nH+]1)C[C@@]1(CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC1)O2	ZINC000257219382	568781799	/nfs/dbraw/zinc/78/17/99/568781799.db2.gz	DGOWCOKLDXQEQJ-DEOSSOPVSA-N	2	2	417.513	3.793	40	0		HHABLP
CCc1ccc([C@H]2CN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)[C@@H]3CC[NH2+]C[C@@H]32)cc1	ZINC000257290448	568801592	/nfs/dbraw/zinc/80/15/92/568801592.db2.gz	QCZNVGRTGZJEMW-UBFVSLLYSA-N	2	2	414.553	3.712	40	0		HHABLP
COc1ccc(C[N@H+](Cc2cnc(N3CCC(C)CC3)nc2)C2CC[NH+](C)CC2)cc1	ZINC000019664413	558954783	/nfs/dbraw/zinc/95/47/83/558954783.db2.gz	VYXOIXDTMONJEP-UHFFFAOYSA-N	2	2	423.605	3.818	40	0		HHABLP
COc1ccc(C[N@@H+](Cc2cnc(N3CCC(C)CC3)nc2)C2CC[NH+](C)CC2)cc1	ZINC000019664413	558954785	/nfs/dbraw/zinc/95/47/85/558954785.db2.gz	VYXOIXDTMONJEP-UHFFFAOYSA-N	2	2	423.605	3.818	40	0		HHABLP
CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2[nH+]cccc2C)cc(C)[nH+]1	ZINC000072372528	558960123	/nfs/dbraw/zinc/96/01/23/558960123.db2.gz	LCZMEMKVVMFMNF-LJQANCHMSA-N	2	2	403.552	3.561	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374867	558963008	/nfs/dbraw/zinc/96/30/08/558963008.db2.gz	RWHWCIVBPAYHMN-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374867	558963010	/nfs/dbraw/zinc/96/30/10/558963010.db2.gz	RWHWCIVBPAYHMN-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
O[C@@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3cc[nH+]c3)c2)C1	ZINC000257330241	559283358	/nfs/dbraw/zinc/28/33/58/559283358.db2.gz	XNNNVGPQJMPUQA-VWLOTQADSA-N	2	2	421.541	3.758	40	0		HHABLP
O[C@@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3cc[nH+]c3)c2)C1	ZINC000257330241	559283360	/nfs/dbraw/zinc/28/33/60/559283360.db2.gz	XNNNVGPQJMPUQA-VWLOTQADSA-N	2	2	421.541	3.758	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1c(Cl)cccc1Cl	ZINC000022074830	568473960	/nfs/dbraw/zinc/47/39/60/568473960.db2.gz	BJWHIXLBKIPVBD-CQSZACIVSA-N	2	2	413.345	3.641	40	0		HHABLP
Cc1ccc(C)n1-n1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)nnc1C[N@H+]1C[C@H](C)C[C@H](C)C1	ZINC000225151737	568618291	/nfs/dbraw/zinc/61/82/91/568618291.db2.gz	MDIBVYMKJJKNBR-LWYYNNOASA-N	2	2	412.626	3.964	40	0		HHABLP
C[NH+](C)CCCNc1nc(Nc2ccc(C(F)(F)F)cc2Cl)cc(C2CC2)[nH+]1	ZINC000328977658	568970765	/nfs/dbraw/zinc/97/07/65/568970765.db2.gz	FUMPZCNKJUBKGW-UHFFFAOYSA-N	2	2	413.875	3.977	40	0		HHABLP
CC[C@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)c(OC)c1	ZINC000036741533	558802264	/nfs/dbraw/zinc/80/22/64/558802264.db2.gz	QJUNHDBMSPINDY-FQEVSTJZSA-N	2	2	416.587	3.977	40	0		HHABLP
CC[C@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)c(OC)c1	ZINC000036741533	558802266	/nfs/dbraw/zinc/80/22/66/558802266.db2.gz	QJUNHDBMSPINDY-FQEVSTJZSA-N	2	2	416.587	3.977	40	0		HHABLP
O[C@]1(COc2ccccc2)CCC[N@H+](Cc2cccc(OCCCn3cc[nH+]c3)c2)C1	ZINC000257330240	559283378	/nfs/dbraw/zinc/28/33/78/559283378.db2.gz	XNNNVGPQJMPUQA-RUZDIDTESA-N	2	2	421.541	3.758	40	0		HHABLP
O[C@]1(COc2ccccc2)CCC[N@@H+](Cc2cccc(OCCCn3cc[nH+]c3)c2)C1	ZINC000257330240	559283380	/nfs/dbraw/zinc/28/33/80/559283380.db2.gz	XNNNVGPQJMPUQA-RUZDIDTESA-N	2	2	421.541	3.758	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000022074842	568474015	/nfs/dbraw/zinc/47/40/15/568474015.db2.gz	SLQYENGNVVFFBW-CQSZACIVSA-N	2	2	413.345	3.641	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1	ZINC000306131956	568894279	/nfs/dbraw/zinc/89/42/79/568894279.db2.gz	KTWFECDFTPNGDY-OALUTQOASA-N	2	2	403.482	3.592	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1	ZINC000306131956	568894282	/nfs/dbraw/zinc/89/42/82/568894282.db2.gz	KTWFECDFTPNGDY-OALUTQOASA-N	2	2	403.482	3.592	40	0		HHABLP
CC(C)c1[nH+]c2ccccc2n1C[C@@H](C)C(=O)NC1CC[NH+](Cc2cccnc2)CC1	ZINC000019453873	558891292	/nfs/dbraw/zinc/89/12/92/558891292.db2.gz	RFAHZRFTJRQJRH-LJQANCHMSA-N	2	2	419.573	3.972	40	0		HHABLP
COc1ccc2[nH]c(C)c(C(=O)C[NH+]3CCC(O)(Cn4cc[nH+]c4C(C)C)CC3)c2c1	ZINC000019581471	558936855	/nfs/dbraw/zinc/93/68/55/558936855.db2.gz	RGCSDRPAJDWAPV-UHFFFAOYSA-N	2	2	424.545	3.515	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374872	558962991	/nfs/dbraw/zinc/96/29/91/558962991.db2.gz	ZWQMHRTWYRHJDX-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374872	558962993	/nfs/dbraw/zinc/96/29/93/558962993.db2.gz	ZWQMHRTWYRHJDX-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
CN(C)c1ncc(-c2ccc(N)[nH+]c2)c(C2CC[NH+](CCCc3ccccc3)CC2)n1	ZINC000019694814	558963385	/nfs/dbraw/zinc/96/33/85/558963385.db2.gz	XAXWOYCNGLMCSA-UHFFFAOYSA-N	2	2	416.573	3.999	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccsc1)CCC2	ZINC000096056076	559094001	/nfs/dbraw/zinc/09/40/01/559094001.db2.gz	JLDGRCDPEDKWOU-REWPJTCUSA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3cccc(C)n3)C[C@@H]1C[NH+](Cc1ccsc1)CCC2	ZINC000096056076	559094003	/nfs/dbraw/zinc/09/40/03/559094003.db2.gz	JLDGRCDPEDKWOU-REWPJTCUSA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@H+](Cc1ccsc1)CCC2	ZINC000096056076	559094005	/nfs/dbraw/zinc/09/40/05/559094005.db2.gz	JLDGRCDPEDKWOU-REWPJTCUSA-N	2	2	413.587	3.729	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3cccc(C)n3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2	ZINC000096056076	559094007	/nfs/dbraw/zinc/09/40/07/559094007.db2.gz	JLDGRCDPEDKWOU-REWPJTCUSA-N	2	2	413.587	3.729	40	0		HHABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)c2)[nH+]1	ZINC000585292134	559124593	/nfs/dbraw/zinc/12/45/93/559124593.db2.gz	WVWFNWWFSGWKGF-XTXLJPNXSA-N	2	2	416.529	3.990	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1c(Cl)cccc1Cl	ZINC000022074832	568473965	/nfs/dbraw/zinc/47/39/65/568473965.db2.gz	BJWHIXLBKIPVBD-AWEZNQCLSA-N	2	2	413.345	3.641	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000022075676	568474019	/nfs/dbraw/zinc/47/40/19/568474019.db2.gz	BLECLZNDXLFNGZ-HNNXBMFYSA-N	2	2	410.917	3.517	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1	ZINC000306131958	568894103	/nfs/dbraw/zinc/89/41/03/568894103.db2.gz	KTWFECDFTPNGDY-RTBURBONSA-N	2	2	403.482	3.592	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1	ZINC000306131958	568894104	/nfs/dbraw/zinc/89/41/04/568894104.db2.gz	KTWFECDFTPNGDY-RTBURBONSA-N	2	2	403.482	3.592	40	0		HHABLP
Cc1nc(N)cc(CC2CC[NH+](Cc3cc(Cl)c4c(c3)OCCCO4)CC2)[nH+]1	ZINC000019758865	558275489	/nfs/dbraw/zinc/27/54/89/558275489.db2.gz	WGTSWRONZDZRDW-UHFFFAOYSA-N	2	2	402.926	3.637	40	0		HHABLP
COc1ccc(C[N@@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1cc[nH+]c1C	ZINC000019288187	558861147	/nfs/dbraw/zinc/86/11/47/558861147.db2.gz	UPXNOZDPOOIRNP-QHCPKHFHSA-N	2	2	406.530	3.825	40	0		HHABLP
COc1ccc(C[N@H+](Cc2ccccn2)C[C@@H]2CCCO2)cc1Cn1cc[nH+]c1C	ZINC000019288187	558861150	/nfs/dbraw/zinc/86/11/50/558861150.db2.gz	UPXNOZDPOOIRNP-QHCPKHFHSA-N	2	2	406.530	3.825	40	0		HHABLP
CCc1[nH+]ccn1C[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C	ZINC000019523597	558904657	/nfs/dbraw/zinc/90/46/57/558904657.db2.gz	ZAZPOARNEPQWMY-QGZVFWFLSA-N	2	2	408.550	3.593	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000072340123	558938899	/nfs/dbraw/zinc/93/88/99/558938899.db2.gz	OMLWIMLJBCOGME-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000072340123	558938903	/nfs/dbraw/zinc/93/89/03/558938903.db2.gz	OMLWIMLJBCOGME-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2[nH+]cccc2C)cc(C)[nH+]1	ZINC000072372529	558960044	/nfs/dbraw/zinc/96/00/44/558960044.db2.gz	LCZMEMKVVMFMNF-IBGZPJMESA-N	2	2	403.552	3.561	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000022074844	568473900	/nfs/dbraw/zinc/47/39/00/568473900.db2.gz	SLQYENGNVVFFBW-AWEZNQCLSA-N	2	2	413.345	3.641	40	0		HHABLP
Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCn2c3ccccc3[nH+]c2C(C)C)[C@H]1O	ZINC000257223661	568783181	/nfs/dbraw/zinc/78/31/81/568783181.db2.gz	DYJCRIFFJCNIEU-MQSCRBSSSA-N	2	2	423.561	3.668	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)[nH+]1	ZINC000257291591	568802022	/nfs/dbraw/zinc/80/20/22/568802022.db2.gz	QHSKMKLUDTYVAF-UHFFFAOYSA-N	2	2	408.550	3.552	40	0		HHABLP
Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1cnc(C)cn1)CC21CC[NH+](CC(C)C)CC1	ZINC000306132060	568894340	/nfs/dbraw/zinc/89/43/40/568894340.db2.gz	KWSRNCNGQUSJHT-UHFFFAOYSA-N	2	2	424.593	3.516	40	0		HHABLP
COCCc1ncc(C[NH+]2CCC(c3ccc(Nc4[nH+]cccc4C)cn3)CC2)cn1	ZINC000072374323	558961776	/nfs/dbraw/zinc/96/17/76/558961776.db2.gz	REZCRXWHUYHSQF-UHFFFAOYSA-N	2	2	418.545	3.887	40	0		HHABLP
CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1	ZINC000072374837	558963032	/nfs/dbraw/zinc/96/30/32/558963032.db2.gz	RHTYYLUQKBQPHZ-IBGZPJMESA-N	2	2	410.566	3.588	40	0		HHABLP
CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)[nH+]2)C1	ZINC000072374837	558963034	/nfs/dbraw/zinc/96/30/34/558963034.db2.gz	RHTYYLUQKBQPHZ-IBGZPJMESA-N	2	2	410.566	3.588	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(OC)cc1)CCC2	ZINC000096056034	559093723	/nfs/dbraw/zinc/09/37/23/559093723.db2.gz	DBQUOIRAXIHRQC-URXFXBBRSA-N	2	2	412.530	3.566	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(OC)cc1)CCC2	ZINC000096056034	559093724	/nfs/dbraw/zinc/09/37/24/559093724.db2.gz	DBQUOIRAXIHRQC-URXFXBBRSA-N	2	2	412.530	3.566	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(OC)cc1)CCC2	ZINC000096056034	559093725	/nfs/dbraw/zinc/09/37/25/559093725.db2.gz	DBQUOIRAXIHRQC-URXFXBBRSA-N	2	2	412.530	3.566	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(OC)cc1)CCC2	ZINC000096056034	559093726	/nfs/dbraw/zinc/09/37/26/559093726.db2.gz	DBQUOIRAXIHRQC-URXFXBBRSA-N	2	2	412.530	3.566	40	0		HHABLP
O=C(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1	ZINC000012602456	560091299	/nfs/dbraw/zinc/09/12/99/560091299.db2.gz	RZBGEYNTIZUXMF-CMKODMSKSA-N	2	2	409.496	3.632	40	0	biogenic,in-vitro	HHABLP
O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2C[NH+]1CCCCC1)c1ccc(C(F)(F)F)cc1	ZINC000012602456	560091300	/nfs/dbraw/zinc/09/13/00/560091300.db2.gz	RZBGEYNTIZUXMF-CMKODMSKSA-N	2	2	409.496	3.632	40	0	biogenic,in-vitro	HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000022075120	568473911	/nfs/dbraw/zinc/47/39/11/568473911.db2.gz	MXUHOXLQDMJTRC-AWEZNQCLSA-N	2	2	413.345	3.641	40	0		HHABLP
Cc1cc(Br)c2c(c1)C(=O)C(C[NH+]1CCCC1)(C[NH+]1CCCC1)CO2	ZINC000033897121	558772092	/nfs/dbraw/zinc/77/20/92/558772092.db2.gz	DXIMJCIQTZJNBI-UHFFFAOYSA-N	2	2	407.352	3.511	40	0		HHABLP
CCc1[nH+]ccn1C[C@H](C)C(=O)Nc1ccc2c(c1)nc(C[NH+]1CCCCC1)n2C	ZINC000019523598	558904603	/nfs/dbraw/zinc/90/46/03/558904603.db2.gz	ZAZPOARNEPQWMY-KRWDZBQOSA-N	2	2	408.550	3.593	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)NCCc1c[nH]c2ccccc12	ZINC000019656871	558949427	/nfs/dbraw/zinc/94/94/27/558949427.db2.gz	UQGUFZSIBXHBOR-SFHVURJKSA-N	2	2	415.541	3.658	40	0		HHABLP
O=C(C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)NCCc1c[nH]c2ccccc12	ZINC000019656871	558949430	/nfs/dbraw/zinc/94/94/30/558949430.db2.gz	UQGUFZSIBXHBOR-SFHVURJKSA-N	2	2	415.541	3.658	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1cc[nH+]c1	ZINC000019658484	558950405	/nfs/dbraw/zinc/95/04/05/558950405.db2.gz	CCKBUXMRQZCPAY-SFHVURJKSA-N	2	2	414.513	3.642	40	0		HHABLP
O=C(C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1cc[nH+]c1	ZINC000019658484	558950409	/nfs/dbraw/zinc/95/04/09/558950409.db2.gz	CCKBUXMRQZCPAY-SFHVURJKSA-N	2	2	414.513	3.642	40	0		HHABLP
COc1cccc(C[NH+]2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)[nH+]cc23)c1	ZINC000306126241	568888800	/nfs/dbraw/zinc/88/88/00/568888800.db2.gz	DQONEELSEXMCRA-UHFFFAOYSA-N	2	2	405.502	3.510	40	0		HHABLP
C[NH+](C)CCCNc1nc(Nc2ccc(F)c(F)c2F)cc(-c2ccccc2)[nH+]1	ZINC000328994410	568971761	/nfs/dbraw/zinc/97/17/61/568971761.db2.gz	JDEGFGRINGFTLW-UHFFFAOYSA-N	2	2	401.436	3.512	40	0		HHABLP
Cc1cc(Nc2cc(C3CC3)[nH+]c(NCCC[NH+](C)C)n2)ccc1Br	ZINC000329039107	571307730	/nfs/dbraw/zinc/30/77/30/571307730.db2.gz	RVEUMSBRAPMMCQ-UHFFFAOYSA-N	2	2	404.356	4.532	40	0		HHABLP
Cc1nc(N2CCCCC2)cc(CC2CC[NH+](Cc3cccnc3N(C)C)CC2)[nH+]1	ZINC000019758947	558275457	/nfs/dbraw/zinc/27/54/57/558275457.db2.gz	OUPJEQZUHDUJMO-UHFFFAOYSA-N	2	2	408.594	3.691	40	0		HHABLP
CC[N@@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O	ZINC000019527241	558908298	/nfs/dbraw/zinc/90/82/98/558908298.db2.gz	BWSFVZKPQBIRNF-LJQANCHMSA-N	2	2	407.562	3.585	40	0		HHABLP
CC[N@H+]1CCC[C@@H]1C[NH2+]Cc1cc2c(C(C)(C)C)nn(-c3ccccc3)c2[nH]c1=O	ZINC000019527241	558908299	/nfs/dbraw/zinc/90/82/99/558908299.db2.gz	BWSFVZKPQBIRNF-LJQANCHMSA-N	2	2	407.562	3.585	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374853	558962964	/nfs/dbraw/zinc/96/29/64/558962964.db2.gz	QKDMYOHWJRACFD-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374853	558962965	/nfs/dbraw/zinc/96/29/65/558962965.db2.gz	QKDMYOHWJRACFD-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1nn(C)cc1C(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374951	558963337	/nfs/dbraw/zinc/96/33/37/558963337.db2.gz	OIGNKSRLKIVXRE-GOSISDBHSA-N	2	2	404.518	3.899	40	0		HHABLP
Cc1c(C)n(C[C@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc12	ZINC000585273170	560741535	/nfs/dbraw/zinc/74/15/35/560741535.db2.gz	POJJKSMWKOQYDB-XMMPIXPASA-N	2	2	421.585	3.583	40	0		HHABLP
Cc1c(C)n(C[C@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc12	ZINC000585273170	560741536	/nfs/dbraw/zinc/74/15/36/560741536.db2.gz	POJJKSMWKOQYDB-XMMPIXPASA-N	2	2	421.585	3.583	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000022075723	568474000	/nfs/dbraw/zinc/47/40/00/568474000.db2.gz	YBKJBEVLOGPBGQ-CQSZACIVSA-N	2	2	413.345	3.641	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(=O)Nc3ccccc3F)CC2)[nH+]1	ZINC000257227483	568784123	/nfs/dbraw/zinc/78/41/23/568784123.db2.gz	FPMUOHMXOOEEBJ-UHFFFAOYSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1[nH]c2ccc(NC(=O)C[N@@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)cc2[nH+]1	ZINC000257278022	568798019	/nfs/dbraw/zinc/79/80/19/568798019.db2.gz	OALILLQHAJPVGZ-KRWDZBQOSA-N	2	2	418.497	3.747	40	0		HHABLP
Cc1[nH]c2ccc(NC(=O)C[N@H+]3CCOC[C@@H](Cc4cccc5occc54)C3)cc2[nH+]1	ZINC000257278022	568798022	/nfs/dbraw/zinc/79/80/22/568798022.db2.gz	OALILLQHAJPVGZ-KRWDZBQOSA-N	2	2	418.497	3.747	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc(C2CC[NH+](CC(=O)Nc3ccc(F)cc3)CC2)[nH+]1	ZINC000257328384	568812579	/nfs/dbraw/zinc/81/25/79/568812579.db2.gz	XFJNGHSLXYJKIL-UHFFFAOYSA-N	2	2	420.492	3.881	40	0		HHABLP
COc1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740456	558801606	/nfs/dbraw/zinc/80/16/06/558801606.db2.gz	ZXRYXKPZZVINBF-UHFFFAOYSA-N	2	2	411.594	3.863	40	0		HHABLP
COc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C2CC(C)(C)[NH2+]C(C)(C)C2)cc1	ZINC000036740456	558801608	/nfs/dbraw/zinc/80/16/08/558801608.db2.gz	ZXRYXKPZZVINBF-UHFFFAOYSA-N	2	2	411.594	3.863	40	0		HHABLP
Cn1c2ccc(C[N@H+](Cc3ccncc3)C3CC(C)(C)[NH2+]C(C)(C)C3)cc2n(C)c1=O	ZINC000036740562	558801842	/nfs/dbraw/zinc/80/18/42/558801842.db2.gz	UWZOLAIMVJSOTJ-UHFFFAOYSA-N	2	2	421.589	3.583	40	0		HHABLP
Cn1c2ccc(C[N@@H+](Cc3ccncc3)C3CC(C)(C)[NH2+]C(C)(C)C3)cc2n(C)c1=O	ZINC000036740562	558801844	/nfs/dbraw/zinc/80/18/44/558801844.db2.gz	UWZOLAIMVJSOTJ-UHFFFAOYSA-N	2	2	421.589	3.583	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2cccnc2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000019582379	558937377	/nfs/dbraw/zinc/93/73/77/558937377.db2.gz	CFEACNNCYMJWMH-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
C[NH+](C)CCCNc1nc(-c2cccnc2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000019582379	558937380	/nfs/dbraw/zinc/93/73/80/558937380.db2.gz	CFEACNNCYMJWMH-UHFFFAOYSA-N	2	2	420.536	3.600	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)NCCc1c[nH]c2ccccc12	ZINC000019656873	558949442	/nfs/dbraw/zinc/94/94/42/558949442.db2.gz	UQGUFZSIBXHBOR-GOSISDBHSA-N	2	2	415.541	3.658	40	0		HHABLP
O=C(C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)NCCc1c[nH]c2ccccc12	ZINC000019656873	558949444	/nfs/dbraw/zinc/94/94/44/558949444.db2.gz	UQGUFZSIBXHBOR-GOSISDBHSA-N	2	2	415.541	3.658	40	0		HHABLP
Nc1ccc(-c2ccc([C@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)c[nH+]1	ZINC000019688619	558958021	/nfs/dbraw/zinc/95/80/21/558958021.db2.gz	RUEKGYNEWYKGHC-SFHVURJKSA-N	2	2	405.477	3.683	40	0		HHABLP
Nc1ccc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)c[nH+]1	ZINC000019688619	558958025	/nfs/dbraw/zinc/95/80/25/558958025.db2.gz	RUEKGYNEWYKGHC-SFHVURJKSA-N	2	2	405.477	3.683	40	0		HHABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)[nH+]1	ZINC000585292626	559125261	/nfs/dbraw/zinc/12/52/61/559125261.db2.gz	PTVHRLGTINGWMQ-JBVUFVISSA-N	2	2	416.529	3.990	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)cn1	ZINC000257245975	568789118	/nfs/dbraw/zinc/78/91/18/568789118.db2.gz	IRYAAFGRTCZHEW-SFHVURJKSA-N	2	2	422.508	3.636	40	0		HHABLP
COCCc1ncc(C[N@H+]2CC[C@H](c3cc(Nc4ccc(F)cn4)cc(C)[nH+]3)C2)cn1	ZINC000257245975	568789121	/nfs/dbraw/zinc/78/91/21/568789121.db2.gz	IRYAAFGRTCZHEW-SFHVURJKSA-N	2	2	422.508	3.636	40	0		HHABLP
CCc1nc(C)c(C(=O)N2CCO[C@@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)C2)o1	ZINC000257255558	568791754	/nfs/dbraw/zinc/79/17/54/568791754.db2.gz	KHYGGVPYQXTIRT-LJQANCHMSA-N	2	2	421.501	3.910	40	0		HHABLP
Cc1ccc(C[N@@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)n(C)c(=O)n3C)s1	ZINC000043277896	524406917	/nfs/dbraw/zinc/40/69/17/524406917.db2.gz	RTZZLKHWVJSAGJ-UHFFFAOYSA-N	2	2	409.559	3.536	40	0		HHABLP
Cc1ccc(C[N@H+](CCCn2cc[nH+]c2)Cc2ccc3c(c2)n(C)c(=O)n3C)s1	ZINC000043277896	524406927	/nfs/dbraw/zinc/40/69/27/524406927.db2.gz	RTZZLKHWVJSAGJ-UHFFFAOYSA-N	2	2	409.559	3.536	40	0		HHABLP
CC(C)(C)CCNC(=O)[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585101957	559025051	/nfs/dbraw/zinc/02/50/51/559025051.db2.gz	KZSGGDKKUFQAMO-JOCHJYFZSA-N	2	2	424.589	3.653	40	0		HHABLP
CC(C)(C)CCNC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CC12CCOCC2	ZINC000585101957	559025053	/nfs/dbraw/zinc/02/50/53/559025053.db2.gz	KZSGGDKKUFQAMO-JOCHJYFZSA-N	2	2	424.589	3.653	40	0		HHABLP
Cc1cc(C)nc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)C=Cc4c[nH]c[nH+]4)C3)c2)n1	ZINC000585290295	559122785	/nfs/dbraw/zinc/12/27/85/559122785.db2.gz	ABOCREYKFSRRNG-DKFQHHCZSA-N	2	2	417.517	3.683	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccccc1Cl	ZINC000022075738	568473946	/nfs/dbraw/zinc/47/39/46/568473946.db2.gz	HCZQIGPHYIBHDQ-AWEZNQCLSA-N	2	2	413.345	3.641	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@H+](Cc1ccc(F)cc1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306143629	568905117	/nfs/dbraw/zinc/90/51/17/568905117.db2.gz	YHCMKIKETYTJNE-UHFFFAOYSA-N	2	2	420.532	3.814	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@@H+](Cc1ccc(F)cc1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306143629	568905118	/nfs/dbraw/zinc/90/51/18/568905118.db2.gz	YHCMKIKETYTJNE-UHFFFAOYSA-N	2	2	420.532	3.814	40	0		HHABLP
COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1	ZINC000225466033	291251763	/nfs/dbraw/zinc/25/17/63/291251763.db2.gz	NSLLVUGLGZGWQC-LJQANCHMSA-N	2	2	407.624	3.618	40	0	biogenic,in-vitro	HHABLP
COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CC[NH+](CC3CCCCC3)CC2)cs1	ZINC000225466033	291251765	/nfs/dbraw/zinc/25/17/65/291251765.db2.gz	NSLLVUGLGZGWQC-LJQANCHMSA-N	2	2	407.624	3.618	40	0	biogenic,in-vitro	HHABLP
CC[NH+](CC)C[C@@H](O)CNc1nc[nH+]c(N)c1C(=C(C)C)c1ccc(Cl)cc1	ZINC000005422266	557652899	/nfs/dbraw/zinc/65/28/99/557652899.db2.gz	OZCYQQPQEXYTSQ-KRWDZBQOSA-N	2	2	403.958	3.669	40	0		HHABLP
CC[NH+](CC)C[C@@H](O)CNc1[nH+]cnc(N)c1C(=C(C)C)c1ccc(Cl)cc1	ZINC000005422266	557652902	/nfs/dbraw/zinc/65/29/02/557652902.db2.gz	OZCYQQPQEXYTSQ-KRWDZBQOSA-N	2	2	403.958	3.669	40	0		HHABLP
Cc1ccc([C@H](Cn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)[NH+](C)C)cc1	ZINC000019719977	558258781	/nfs/dbraw/zinc/25/87/81/558258781.db2.gz	OPVZKWVHFCEQKP-QHCPKHFHSA-N	2	2	403.530	3.660	40	0		HHABLP
COc1cccc(CNc2cc(CC3CC[NH+](Cc4ccnn4C)CC3)[nH+]c(C)n2)c1	ZINC000019752160	558271995	/nfs/dbraw/zinc/27/19/95/558271995.db2.gz	HUOYUENQUVXJTI-UHFFFAOYSA-N	2	2	420.561	3.594	40	0		HHABLP
CC[C@@H]1c2ccsc2CC[N@H+]1Cc1ccc(OCC[NH+]2CCOCC2)c(OC)c1	ZINC000036741532	558802219	/nfs/dbraw/zinc/80/22/19/558802219.db2.gz	QJUNHDBMSPINDY-HXUWFJFHSA-N	2	2	416.587	3.977	40	0		HHABLP
CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1ccc(OCC[NH+]2CCOCC2)c(OC)c1	ZINC000036741532	558802221	/nfs/dbraw/zinc/80/22/21/558802221.db2.gz	QJUNHDBMSPINDY-HXUWFJFHSA-N	2	2	416.587	3.977	40	0		HHABLP
CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+]2CCC(C)CC2)CC1	ZINC000072347655	558944697	/nfs/dbraw/zinc/94/46/97/558944697.db2.gz	BBFSMFHTXJNNFF-UHFFFAOYSA-N	2	2	411.594	3.511	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1cc[nH+]c1	ZINC000019658486	558950534	/nfs/dbraw/zinc/95/05/34/558950534.db2.gz	CCKBUXMRQZCPAY-GOSISDBHSA-N	2	2	414.513	3.642	40	0		HHABLP
O=C(C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1)Nc1ccccc1-n1cc[nH+]c1	ZINC000019658486	558950535	/nfs/dbraw/zinc/95/05/35/558950535.db2.gz	CCKBUXMRQZCPAY-GOSISDBHSA-N	2	2	414.513	3.642	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374868	558963088	/nfs/dbraw/zinc/96/30/88/558963088.db2.gz	RWHWCIVBPAYHMN-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)Nc3ccccc3F)C2)[nH+]1	ZINC000072374868	558963090	/nfs/dbraw/zinc/96/30/90/558963090.db2.gz	RWHWCIVBPAYHMN-KRWDZBQOSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1c(C)n(C[C@@H](O)C[N@@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc12	ZINC000585273162	560741526	/nfs/dbraw/zinc/74/15/26/560741526.db2.gz	POJJKSMWKOQYDB-DEOSSOPVSA-N	2	2	421.585	3.583	40	0		HHABLP
Cc1c(C)n(C[C@@H](O)C[N@H+](C)Cc2cccc(C[NH+]3CCOCC3)c2)c2ccccc12	ZINC000585273162	560741527	/nfs/dbraw/zinc/74/15/27/560741527.db2.gz	POJJKSMWKOQYDB-DEOSSOPVSA-N	2	2	421.585	3.583	40	0		HHABLP
COc1cc(C[NH2+]CCC[NH+]2CCOCC2)cc(Cl)c1OCc1cccs1	ZINC000008470581	560755265	/nfs/dbraw/zinc/75/52/65/560755265.db2.gz	QWWHPXNEHCLQDF-UHFFFAOYSA-N	2	2	410.967	3.801	40	0		HHABLP
CC1(C)CC([N@H+](Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)CC(C)(C)[NH2+]1	ZINC000019461051	558893564	/nfs/dbraw/zinc/89/35/64/558893564.db2.gz	SWGLUCAAAKYEPV-UHFFFAOYSA-N	2	2	408.594	3.783	40	0		HHABLP
CC1(C)CC([N@@H+](Cc2ccncc2)Cc2ccnc(N3CCCC3)n2)CC(C)(C)[NH2+]1	ZINC000019461051	558893567	/nfs/dbraw/zinc/89/35/67/558893567.db2.gz	SWGLUCAAAKYEPV-UHFFFAOYSA-N	2	2	408.594	3.783	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1	ZINC000072353456	558950466	/nfs/dbraw/zinc/95/04/66/558950466.db2.gz	AQAWUDXJPGXXRS-HXUWFJFHSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@@H](c3ccc(Nc4[nH+]cccc4C)cn3)C2)cn1	ZINC000072353456	558950469	/nfs/dbraw/zinc/95/04/69/558950469.db2.gz	AQAWUDXJPGXXRS-HXUWFJFHSA-N	2	2	418.545	3.887	40	0		HHABLP
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000019707419	558969584	/nfs/dbraw/zinc/96/95/84/558969584.db2.gz	HNQCSZHWFPEVQP-NRFANRHFSA-N	2	2	407.562	3.823	40	0		HHABLP
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2	ZINC000019707419	558969590	/nfs/dbraw/zinc/96/95/90/558969590.db2.gz	HNQCSZHWFPEVQP-NRFANRHFSA-N	2	2	407.562	3.823	40	0		HHABLP
O=C(CC1CCOCC1)NC1CC2(C1)CC[NH+](Cc1ccc(-n3cc[nH+]c3)cc1)CC2	ZINC000585103207	559026509	/nfs/dbraw/zinc/02/65/09/559026509.db2.gz	NGONEZYJYYNWCY-UHFFFAOYSA-N	2	2	422.573	3.550	40	0		HHABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@H]3CCCN(C(=O)/C=C/c4ccnn4C)C3)c2)[nH+]1	ZINC000585292627	559125348	/nfs/dbraw/zinc/12/53/48/559125348.db2.gz	PTVHRLGTINGWMQ-YXBWYFRISA-N	2	2	416.529	3.990	40	0		HHABLP
COC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3[nH]c4cc(C)c(C)cc4[nH+]3)CC2)cc1	ZINC000004966412	560621680	/nfs/dbraw/zinc/62/16/80/560621680.db2.gz	IVAFMWFKLFZMIC-UHFFFAOYSA-N	2	2	420.513	3.784	40	0		HHABLP
COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2	ZINC000306139767	568901723	/nfs/dbraw/zinc/90/17/23/568901723.db2.gz	UABCKKAEWHTUOW-DEOSSOPVSA-N	2	2	403.482	3.736	40	0		HHABLP
COc1ccccc1-c1c[nH+]c2n1C[C@@]1(CC[N@@H+](Cc3ccc4c(c3)OCO4)C1)C2	ZINC000306139767	568901724	/nfs/dbraw/zinc/90/17/24/568901724.db2.gz	UABCKKAEWHTUOW-DEOSSOPVSA-N	2	2	403.482	3.736	40	0		HHABLP
CCCNC(=O)[C@@H]1Cc2cn(Cc3[nH+]ccn3C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171779	291249521	/nfs/dbraw/zinc/24/95/21/291249521.db2.gz	MNXQPWWSELPPAX-PMACEKPBSA-N	2	2	407.562	3.551	40	0	biogenic,in-vitro	HHABLP
COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1	ZINC000035415787	524072345	/nfs/dbraw/zinc/07/23/45/524072345.db2.gz	PLRHCOJIOOBKJV-ZVDOUQERSA-N	2	2	406.530	3.656	40	0	biogenic,in-vitro	HHABLP
COc1ccc(C[NH2+]C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1	ZINC000035415787	524072347	/nfs/dbraw/zinc/07/23/47/524072347.db2.gz	PLRHCOJIOOBKJV-ZVDOUQERSA-N	2	2	406.530	3.656	40	0	biogenic,in-vitro	HHABLP
COc1ccccc1C[N@H+](Cc1cnc(N(C)C)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000036740486	558801731	/nfs/dbraw/zinc/80/17/31/558801731.db2.gz	FEOFZSOYMAPSNA-UHFFFAOYSA-N	2	2	411.594	3.863	40	0		HHABLP
COc1ccccc1C[N@@H+](Cc1cnc(N(C)C)nc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000036740486	558801733	/nfs/dbraw/zinc/80/17/33/558801733.db2.gz	FEOFZSOYMAPSNA-UHFFFAOYSA-N	2	2	411.594	3.863	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@@H]2c2ccc(Nc3[nH+]cccc3C)cn2)cn1	ZINC000072353191	558949989	/nfs/dbraw/zinc/94/99/89/558949989.db2.gz	MEZLUCFNTPIQRW-OAQYLSRUSA-N	2	2	404.518	3.845	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@@H]2c2ccc(Nc3[nH+]cccc3C)cn2)cn1	ZINC000072353191	558949991	/nfs/dbraw/zinc/94/99/91/558949991.db2.gz	MEZLUCFNTPIQRW-OAQYLSRUSA-N	2	2	404.518	3.845	40	0		HHABLP
Nc1ccc(-c2ccc(C3CC[NH+](CC(=O)Nc4ccc(F)cc4)CC3)nc2)c[nH+]1	ZINC000019689032	558958610	/nfs/dbraw/zinc/95/86/10/558958610.db2.gz	BDOSJVGAVOPQGP-UHFFFAOYSA-N	2	2	405.477	3.683	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)cc(Cl)c1OCc1ccccc1F	ZINC000022075701	568473927	/nfs/dbraw/zinc/47/39/27/568473927.db2.gz	QBZLEARFFFDVHA-OAHLLOKOSA-N	2	2	410.917	3.517	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000257208579	568778710	/nfs/dbraw/zinc/77/87/10/568778710.db2.gz	BMTCMCHDWULQHG-RUZDIDTESA-N	2	2	415.541	3.633	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@]1(C2)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000257208579	568778712	/nfs/dbraw/zinc/77/87/12/568778712.db2.gz	BMTCMCHDWULQHG-RUZDIDTESA-N	2	2	415.541	3.633	40	0		HHABLP
COc1ccc(C[NH+]2CCC3(CC2)Nc2ccc(OC)nc2-n2c(C)[nH+]cc23)cc1	ZINC000306141643	568903256	/nfs/dbraw/zinc/90/32/56/568903256.db2.gz	WCTRTIAMYFJMNH-UHFFFAOYSA-N	2	2	405.502	3.510	40	0		HHABLP
Cc1cc(Br)cc(C)c1Nc1cc(C2CC2)[nH+]c(NCCC[NH+](C)C)n1	ZINC000328963425	526155006	/nfs/dbraw/zinc/15/50/06/526155006.db2.gz	BNIJVUJOTUHSKL-UHFFFAOYSA-N	2	2	418.383	3.684	40	0		HHABLP
C[C@@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000072340126	558938778	/nfs/dbraw/zinc/93/87/78/558938778.db2.gz	CQLGYNHFBWCWAS-KRWDZBQOSA-N	2	2	420.536	3.598	40	0		HHABLP
C[C@@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000072340126	558938781	/nfs/dbraw/zinc/93/87/81/558938781.db2.gz	CQLGYNHFBWCWAS-KRWDZBQOSA-N	2	2	420.536	3.598	40	0		HHABLP
COc1ccccc1C[C@@H](C)Nc1cc(Cn2c(C)[nH+]c3ccccc32)[nH+]c(N)n1	ZINC000019655491	558948855	/nfs/dbraw/zinc/94/88/55/558948855.db2.gz	QPMPLVHIPWTPSI-OAHLLOKOSA-N	2	2	402.502	3.817	40	0		HHABLP
Cc1[nH+]c2cc(NC(=O)C[N@@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C	ZINC000019658017	558949843	/nfs/dbraw/zinc/94/98/43/558949843.db2.gz	KGGILXOIUZSRCA-QGZVFWFLSA-N	2	2	416.529	3.651	40	0		HHABLP
Cc1[nH+]c2cc(NC(=O)C[N@H+]3CCC[C@H](Cc4nc5ccccc5[nH]4)C3)ccc2n1C	ZINC000019658017	558949846	/nfs/dbraw/zinc/94/98/46/558949846.db2.gz	KGGILXOIUZSRCA-QGZVFWFLSA-N	2	2	416.529	3.651	40	0		HHABLP
CC(C)(C)c1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCCn3cc[nH+]c3)cc12	ZINC000036740453	558801681	/nfs/dbraw/zinc/80/16/81/558801681.db2.gz	SLMUTQQUKUZSIS-UHFFFAOYSA-N	2	2	422.508	3.527	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374851	558962871	/nfs/dbraw/zinc/96/28/71/558962871.db2.gz	SPVSLIQGBBWRLI-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(F)cc3)C2)[nH+]1	ZINC000072374851	558962874	/nfs/dbraw/zinc/96/28/74/558962874.db2.gz	SPVSLIQGBBWRLI-QGZVFWFLSA-N	2	2	420.492	3.881	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@@H+](CC(=O)N(C)C3CCCCC3)C2)[nH+]1	ZINC000072374858	558963017	/nfs/dbraw/zinc/96/30/17/558963017.db2.gz	WHDISMRIMGVCFG-IBGZPJMESA-N	2	2	422.577	3.894	40	0		HHABLP
Cc1cc(Nc2ncccn2)cc([C@H]2CCC[N@H+](CC(=O)N(C)C3CCCCC3)C2)[nH+]1	ZINC000072374858	558963019	/nfs/dbraw/zinc/96/30/19/558963019.db2.gz	WHDISMRIMGVCFG-IBGZPJMESA-N	2	2	422.577	3.894	40	0		HHABLP
O=C(CCCn1cc[nH+]c1)NC1CC[NH+](CC2(c3ccccc3F)CCCC2)CC1	ZINC000072393513	558973048	/nfs/dbraw/zinc/97/30/48/558973048.db2.gz	KNRDCILLXPWEFY-UHFFFAOYSA-N	2	2	412.553	3.895	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@H](C)O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000022075725	568474008	/nfs/dbraw/zinc/47/40/08/568474008.db2.gz	YBKJBEVLOGPBGQ-AWEZNQCLSA-N	2	2	413.345	3.641	40	0		HHABLP
CCN(CC)S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)[nH+]3)cc(C)[nH+]2)CC1	ZINC000257255653	568791919	/nfs/dbraw/zinc/79/19/19/568791919.db2.gz	KIIQLTKZCLAFRA-UHFFFAOYSA-N	2	2	417.579	3.603	40	0		HHABLP
C[C@@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1C[N@H+](Cc1ccccc1F)CC2	ZINC000019455933	558891850	/nfs/dbraw/zinc/89/18/50/558891850.db2.gz	WYPJNLCHGCWSPM-KRWDZBQOSA-N	2	2	420.536	3.598	40	0		HHABLP
C[C@@H](C[NH+](C)C)Nc1nc(-c2ccncc2)nc2c1C[N@@H+](Cc1ccccc1F)CC2	ZINC000019455933	558891853	/nfs/dbraw/zinc/89/18/53/558891853.db2.gz	WYPJNLCHGCWSPM-KRWDZBQOSA-N	2	2	420.536	3.598	40	0		HHABLP
C[C@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1C[N@H+](Cc1ccc(F)cc1)CC2	ZINC000072340127	558938792	/nfs/dbraw/zinc/93/87/92/558938792.db2.gz	CQLGYNHFBWCWAS-QGZVFWFLSA-N	2	2	420.536	3.598	40	0		HHABLP
C[C@H](C[NH+](C)C)Nc1nc(-c2ccccn2)nc2c1C[N@@H+](Cc1ccc(F)cc1)CC2	ZINC000072340127	558938796	/nfs/dbraw/zinc/93/87/96/558938796.db2.gz	CQLGYNHFBWCWAS-QGZVFWFLSA-N	2	2	420.536	3.598	40	0		HHABLP
Cc1cccc(Nc2cc(C)[nH+]c([C@@H]3CCCN(C(=O)/C=C/c4cnn(C)c4)C3)c2)[nH+]1	ZINC000585292133	559124644	/nfs/dbraw/zinc/12/46/44/559124644.db2.gz	WVWFNWWFSGWKGF-SQUSKLHYSA-N	2	2	416.529	3.990	40	0		HHABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)[nH+]1	ZINC000585292903	559126144	/nfs/dbraw/zinc/12/61/44/559126144.db2.gz	UGHDEGCHSJFOIG-CSHXORCISA-N	2	2	416.529	3.990	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107798276	559166037	/nfs/dbraw/zinc/16/60/37/559166037.db2.gz	PJEDUDSGQOSVRV-XUZZJYLKSA-N	2	2	423.988	3.690	40	0		HHABLP
O=C(Cc1ccc(Cl)cc1)N1C[C@H]2C[N@H+](C3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1	ZINC000107798276	559166038	/nfs/dbraw/zinc/16/60/38/559166038.db2.gz	PJEDUDSGQOSVRV-XUZZJYLKSA-N	2	2	423.988	3.690	40	0		HHABLP
COc1cc(C[NH2+]CC[NH2+]C[C@@H](C)O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000022075118	568473942	/nfs/dbraw/zinc/47/39/42/568473942.db2.gz	MXUHOXLQDMJTRC-CQSZACIVSA-N	2	2	413.345	3.641	40	0		HHABLP
Cc1[nH+]c2c(n1C(C)C)CN(C(=O)c1ccncc1)CC21CC[NH+](CC(C)C)CC1	ZINC000306130435	568892861	/nfs/dbraw/zinc/89/28/61/568892861.db2.gz	JGGKJYVWHUJHCP-UHFFFAOYSA-N	2	2	409.578	3.813	40	0		HHABLP
C[NH+](C)CCCNc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C2CC2)[nH+]1	ZINC000329045015	568974541	/nfs/dbraw/zinc/97/45/41/568974541.db2.gz	TTYUXPBFPCIQRE-UHFFFAOYSA-N	2	2	413.875	3.977	40	0		HHABLP
Cc1ccc([C@@H](Cn2c[nH+]cc2-c2cc3c(cc2C)n(C)c(=O)n3C)[NH+](C)C)cc1	ZINC000019719978	558258692	/nfs/dbraw/zinc/25/86/92/558258692.db2.gz	OPVZKWVHFCEQKP-HSZRJFAPSA-N	2	2	403.530	3.660	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccccc1Cl	ZINC000022075659	558462463	/nfs/dbraw/zinc/46/24/63/558462463.db2.gz	AFLVMICLHQNSPJ-UHFFFAOYSA-N	2	2	413.345	3.643	40	0		HHABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3cnn(C)c3)C2)[nH+]1	ZINC000585291847	559124211	/nfs/dbraw/zinc/12/42/11/559124211.db2.gz	UJJZARLIDQMKBO-IBDYFIJFSA-N	2	2	416.529	3.990	40	0		HHABLP
Cc1ccc(C)n1-n1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)nnc1C[NH+]1C[C@H](C)C[C@@H](C)C1	ZINC000260572271	560869123	/nfs/dbraw/zinc/86/91/23/560869123.db2.gz	MDIBVYMKJJKNBR-UAFMIMERSA-N	2	2	412.626	3.964	40	0		HHABLP
O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC[C@@H]1c1cncc(-n2cc[nH+]c2)n1	ZINC000257298590	568803952	/nfs/dbraw/zinc/80/39/52/568803952.db2.gz	RMJXJENTGXBRFK-JOCHJYFZSA-N	2	2	416.529	3.626	40	0		HHABLP
COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@H+](Cc3ccc4c(c3)OCO4)C1)C2	ZINC000306139768	568901550	/nfs/dbraw/zinc/90/15/50/568901550.db2.gz	UABCKKAEWHTUOW-XMMPIXPASA-N	2	2	403.482	3.736	40	0		HHABLP
COc1ccccc1-c1c[nH+]c2n1C[C@]1(CC[N@@H+](Cc3ccc4c(c3)OCO4)C1)C2	ZINC000306139768	568901553	/nfs/dbraw/zinc/90/15/53/568901553.db2.gz	UABCKKAEWHTUOW-XMMPIXPASA-N	2	2	403.482	3.736	40	0		HHABLP
C[NH+](C)CCCNc1nc(Nc2cccc(SC(F)(F)F)c2)cc(C2CC2)[nH+]1	ZINC000328983678	568971260	/nfs/dbraw/zinc/97/12/60/568971260.db2.gz	HIARENPPRNAFBK-UHFFFAOYSA-N	2	2	411.497	3.917	40	0		HHABLP
CC1(C)[C@H](Cc2cc(C[NH+]3CCN(c4ccccc4)CC3)on2)C[C@@H]1[NH2+]CC1CC1	ZINC000067890373	291248680	/nfs/dbraw/zinc/24/86/80/291248680.db2.gz	ZZYBAXDMIOPOCN-YKSBVNFPSA-N	2	2	408.590	3.954	40	0	biogenic,in-vitro	HHABLP
Cc1nc(NCc2ccccc2F)cc(CC2CC[NH+](Cc3ccnn3C)CC2)[nH+]1	ZINC000019758514	558274982	/nfs/dbraw/zinc/27/49/82/558274982.db2.gz	XJDKUCWLNFSBHC-UHFFFAOYSA-N	2	2	408.525	3.724	40	0		HHABLP
COc1cccc(C[N@@H+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)[C@@H](C)C2)c1	ZINC000012115684	558327850	/nfs/dbraw/zinc/32/78/50/558327850.db2.gz	KUWAPSTXWQXHSM-IBGZPJMESA-N	2	2	411.546	3.621	40	0		HHABLP
COc1cccc(C[N@H+]2CCN(C(=O)c3ccc(C[NH+]4CCCCC4)o3)[C@@H](C)C2)c1	ZINC000012115684	558327853	/nfs/dbraw/zinc/32/78/53/558327853.db2.gz	KUWAPSTXWQXHSM-IBGZPJMESA-N	2	2	411.546	3.621	40	0		HHABLP
CCOc1cc(C[NH2+]CC[NH2+]CCO)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000022075648	558462369	/nfs/dbraw/zinc/46/23/69/558462369.db2.gz	RRLGOHOPQNJDSY-UHFFFAOYSA-N	2	2	413.345	3.643	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cn1	ZINC000072353455	558950370	/nfs/dbraw/zinc/95/03/70/558950370.db2.gz	RSKNVTBZDLTRCB-FQEVSTJZSA-N	2	2	418.545	3.887	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@H](c3ccc(Nc4cccc(C)[nH+]4)cn3)C2)cn1	ZINC000072353455	558950373	/nfs/dbraw/zinc/95/03/73/558950373.db2.gz	RSKNVTBZDLTRCB-FQEVSTJZSA-N	2	2	418.545	3.887	40	0		HHABLP
O=C(C[N@@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nnc(C2CCC2)s1	ZINC000019658428	558950528	/nfs/dbraw/zinc/95/05/28/558950528.db2.gz	QCZLFBJSXQRKPX-AWEZNQCLSA-N	2	2	410.547	3.575	40	0		HHABLP
O=C(C[N@H+]1CCC[C@@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nnc(C2CCC2)s1	ZINC000019658428	558950529	/nfs/dbraw/zinc/95/05/29/558950529.db2.gz	QCZLFBJSXQRKPX-AWEZNQCLSA-N	2	2	410.547	3.575	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2	ZINC000096056032	559093695	/nfs/dbraw/zinc/09/36/95/559093695.db2.gz	XFZINQXEOORSRV-UGKGYDQZSA-N	2	2	402.560	3.927	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(C)s1)CCC2	ZINC000096056032	559093696	/nfs/dbraw/zinc/09/36/96/559093696.db2.gz	XFZINQXEOORSRV-UGKGYDQZSA-N	2	2	402.560	3.927	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2	ZINC000096056032	559093698	/nfs/dbraw/zinc/09/36/98/559093698.db2.gz	XFZINQXEOORSRV-UGKGYDQZSA-N	2	2	402.560	3.927	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2	ZINC000096056032	559093699	/nfs/dbraw/zinc/09/36/99/559093699.db2.gz	XFZINQXEOORSRV-UGKGYDQZSA-N	2	2	402.560	3.927	40	0		HHABLP
Cc1cc(Nc2[nH+]cccc2C)cc([C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)[nH+]1	ZINC000585292905	559126168	/nfs/dbraw/zinc/12/61/68/559126168.db2.gz	UGHDEGCHSJFOIG-SGQUHAKNSA-N	2	2	416.529	3.990	40	0		HHABLP
Cc1[nH]c2ccc(NC(=O)C[N@@H+]3CCOC[C@H](Cc4cccc5occc54)C3)cc2[nH+]1	ZINC000257278023	568797925	/nfs/dbraw/zinc/79/79/25/568797925.db2.gz	OALILLQHAJPVGZ-QGZVFWFLSA-N	2	2	418.497	3.747	40	0		HHABLP
Cc1[nH]c2ccc(NC(=O)C[N@H+]3CCOC[C@H](Cc4cccc5occc54)C3)cc2[nH+]1	ZINC000257278023	568797927	/nfs/dbraw/zinc/79/79/27/568797927.db2.gz	OALILLQHAJPVGZ-QGZVFWFLSA-N	2	2	418.497	3.747	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1	ZINC000306131957	568894243	/nfs/dbraw/zinc/89/42/43/568894243.db2.gz	KTWFECDFTPNGDY-RBUKOAKNSA-N	2	2	403.482	3.592	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@@H]2C3)cc1	ZINC000306131957	568894245	/nfs/dbraw/zinc/89/42/45/568894245.db2.gz	KTWFECDFTPNGDY-RBUKOAKNSA-N	2	2	403.482	3.592	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1	ZINC000306131955	568894253	/nfs/dbraw/zinc/89/42/53/568894253.db2.gz	KTWFECDFTPNGDY-MOPGFXCFSA-N	2	2	403.482	3.592	40	0		HHABLP
COc1ccc(-c2c[nH+]c3n2C[C@@H]2C[N@H+](Cc4ccc5c(c4)OCO5)C[C@H]2C3)cc1	ZINC000306131955	568894255	/nfs/dbraw/zinc/89/42/55/568894255.db2.gz	KTWFECDFTPNGDY-MOPGFXCFSA-N	2	2	403.482	3.592	40	0		HHABLP
CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3C[NH+]2CCC(C)CC2)c1	ZINC000067870780	291256267	/nfs/dbraw/zinc/25/62/67/291256267.db2.gz	PSKDLUKUXSJGJP-IRFCIJBXSA-N	2	2	416.635	3.972	40	0	biogenic,in-vitro	HHABLP
CSc1cccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C[NH+]2CCC(C)CC2)c1	ZINC000067870780	291256273	/nfs/dbraw/zinc/25/62/73/291256273.db2.gz	PSKDLUKUXSJGJP-IRFCIJBXSA-N	2	2	416.635	3.972	40	0	biogenic,in-vitro	HHABLP
COc1cc(C[N@@H+]2CCc3sccc3[C@@H]2C)ccc1OCC[NH+]1CCOCC1	ZINC000019498359	558896949	/nfs/dbraw/zinc/89/69/49/558896949.db2.gz	NZVHLCBNGYTHNR-KRWDZBQOSA-N	2	2	402.560	3.587	40	0		HHABLP
COc1cc(C[N@H+]2CCc3sccc3[C@@H]2C)ccc1OCC[NH+]1CCOCC1	ZINC000019498359	558896955	/nfs/dbraw/zinc/89/69/55/558896955.db2.gz	NZVHLCBNGYTHNR-KRWDZBQOSA-N	2	2	402.560	3.587	40	0		HHABLP
Nc1ccc(-c2ccc([C@@H]3CCC[N@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)c[nH+]1	ZINC000019688617	558958038	/nfs/dbraw/zinc/95/80/38/558958038.db2.gz	RUEKGYNEWYKGHC-GOSISDBHSA-N	2	2	405.477	3.683	40	0		HHABLP
Nc1ccc(-c2ccc([C@@H]3CCC[N@@H+](CC(=O)Nc4ccc(F)cc4)C3)nc2)c[nH+]1	ZINC000019688617	558958041	/nfs/dbraw/zinc/95/80/41/558958041.db2.gz	RUEKGYNEWYKGHC-GOSISDBHSA-N	2	2	405.477	3.683	40	0		HHABLP
CCN(CC)S(=O)(=O)N1CCC[C@@H](c2cc(Nc3[nH+]cccc3C)cc(C)[nH+]2)C1	ZINC000072374906	558962882	/nfs/dbraw/zinc/96/28/82/558962882.db2.gz	PFMWMUUWCIXXNQ-GOSISDBHSA-N	2	2	417.579	3.603	40	0		HHABLP
CCOC(=O)[C@@]12C[N@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2	ZINC000096056033	559093710	/nfs/dbraw/zinc/09/37/10/559093710.db2.gz	GENNUOJIUBQIEA-REWPJTCUSA-N	2	2	400.494	3.696	40	0		HHABLP
CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1C[NH+](Cc1ccc(F)cc1)CCC2	ZINC000096056033	559093711	/nfs/dbraw/zinc/09/37/11/559093711.db2.gz	GENNUOJIUBQIEA-REWPJTCUSA-N	2	2	400.494	3.696	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@H+](Cc1ccc(F)cc1)CCC2	ZINC000096056033	559093712	/nfs/dbraw/zinc/09/37/12/559093712.db2.gz	GENNUOJIUBQIEA-REWPJTCUSA-N	2	2	400.494	3.696	40	0		HHABLP
CCOC(=O)[C@@]12C[NH+](Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2	ZINC000096056033	559093713	/nfs/dbraw/zinc/09/37/13/559093713.db2.gz	GENNUOJIUBQIEA-REWPJTCUSA-N	2	2	400.494	3.696	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@H+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000257208580	568778745	/nfs/dbraw/zinc/77/87/45/568778745.db2.gz	BMTCMCHDWULQHG-VWLOTQADSA-N	2	2	415.541	3.633	40	0		HHABLP
Nc1nc(N)c2c([nH+]1)O[C@@]1(C2)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)CC1	ZINC000257208580	568778746	/nfs/dbraw/zinc/77/87/46/568778746.db2.gz	BMTCMCHDWULQHG-VWLOTQADSA-N	2	2	415.541	3.633	40	0		HHABLP
COCCc1ncc(C[N@@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)cn1	ZINC000257251653	568790731	/nfs/dbraw/zinc/79/07/31/568790731.db2.gz	JRPHEKOPDFRTIP-SFHVURJKSA-N	2	2	424.574	3.949	40	0		HHABLP
COCCc1ncc(C[N@H+]2CCC[C@H](c3cc(Nc4nccs4)cc(C)[nH+]3)C2)cn1	ZINC000257251653	568790732	/nfs/dbraw/zinc/79/07/32/568790732.db2.gz	JRPHEKOPDFRTIP-SFHVURJKSA-N	2	2	424.574	3.949	40	0		HHABLP
COc1cccc2c1OC(C)(C)[C@H]1CC3(CC[NH+](Cc4c[nH+]cn4C)CC3)CO[C@H]21	ZINC000257305024	568805852	/nfs/dbraw/zinc/80/58/52/568805852.db2.gz	SOCZEWMBAPTODP-PZJWPPBQSA-N	2	2	411.546	3.960	40	0		HHABLP
C[N@H+](Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C)CC3)C2(C)C)no1)Cc1ccccc1	ZINC000067889953	291250715	/nfs/dbraw/zinc/25/07/15/291250715.db2.gz	XITFHLMMWYFECE-YKSBVNFPSA-N	3	2	410.606	3.948	40	0	biogenic,in-vitro	HHABLP
C[N@@H+](Cc1cc(C[C@@H]2C[C@H]([NH2+]C3CC[NH+](C)CC3)C2(C)C)no1)Cc1ccccc1	ZINC000067889953	291250716	/nfs/dbraw/zinc/25/07/16/291250716.db2.gz	XITFHLMMWYFECE-YKSBVNFPSA-N	3	2	410.606	3.948	40	0	biogenic,in-vitro	HHABLP
O=C(C[N@@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nc2c(s1)CCCC2	ZINC000019657930	558950042	/nfs/dbraw/zinc/95/00/42/558950042.db2.gz	VHAYURDBCHMJTR-OAHLLOKOSA-N	2	2	409.559	3.791	40	0		HHABLP
O=C(C[N@H+]1CCC[C@H](Cc2[nH]c3ccccc3[nH+]2)C1)Nc1nc2c(s1)CCCC2	ZINC000019657930	558950044	/nfs/dbraw/zinc/95/00/44/558950044.db2.gz	VHAYURDBCHMJTR-OAHLLOKOSA-N	2	2	409.559	3.791	40	0		HHABLP
CCc1nc(C)c(C(=O)N2CCO[C@H](c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)C2)o1	ZINC000257255557	568791628	/nfs/dbraw/zinc/79/16/28/568791628.db2.gz	KHYGGVPYQXTIRT-IBGZPJMESA-N	2	2	421.501	3.910	40	0		HHABLP
Cc1cnc(C(=O)N2CCC(c3cc(Nc4cccc(C)[nH+]4)cc(C)[nH+]3)CC2)cn1	ZINC000257324362	568811650	/nfs/dbraw/zinc/81/16/50/568811650.db2.gz	WOJCRKYBOKJHDA-UHFFFAOYSA-N	2	2	402.502	3.955	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@H+](Cc1cccc(F)c1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306138550	568900284	/nfs/dbraw/zinc/90/02/84/568900284.db2.gz	SAINMCMAICOTRC-UHFFFAOYSA-N	2	2	420.532	3.814	40	0		HHABLP
Cn1[nH]c2c(c1=O)C[N@@H+](Cc1cccc(F)c1)CC21CC[NH+](Cc2ccccc2)CC1	ZINC000306138550	568900287	/nfs/dbraw/zinc/90/02/87/568900287.db2.gz	SAINMCMAICOTRC-UHFFFAOYSA-N	2	2	420.532	3.814	40	0		HHABLP
C[NH+](C)CCCNc1nc(Nc2c(Cl)cccc2C(F)(F)F)cc(C2CC2)[nH+]1	ZINC000329047169	568974516	/nfs/dbraw/zinc/97/45/16/568974516.db2.gz	UEZXOGYDBNEBIU-UHFFFAOYSA-N	2	2	413.875	3.977	40	0		HHABLP