smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)C3CCCCC3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481037	291202692	/nfs/dbraw/zinc/20/26/92/291202692.db2.gz	XBJBKUQSCIAVGM-SFTDATJTSA-N	-1	3	421.582	2.450	40	0	biogenic,in-vitro	HEABHM
COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408675321	557680822	/nfs/dbraw/zinc/68/08/22/557680822.db2.gz	HMPDHPYGRUDVTI-UHFFFAOYSA-N	-1	3	410.467	2.466	40	0		HEABHM
C[C@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCC1=O	ZINC000019078032	558838554	/nfs/dbraw/zinc/83/85/54/558838554.db2.gz	GVWINXMPUBVORF-GFCCVEGCSA-N	-1	3	401.492	2.023	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019210870	558848361	/nfs/dbraw/zinc/84/83/61/558848361.db2.gz	MMOXUEXSYGXIQB-FOIQADDNSA-N	-1	3	424.501	2.114	40	0		HEABHM
COc1cccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)c1	ZINC000019448275	558887040	/nfs/dbraw/zinc/88/70/40/558887040.db2.gz	PXTVPVWEDUCVFD-FQEVSTJZSA-N	-1	3	410.518	2.451	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000019463210	558894141	/nfs/dbraw/zinc/89/41/41/558894141.db2.gz	QBSCHBALMCVDRS-SZMVWBNQSA-N	-1	3	414.550	2.494	40	0		HEABHM
C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)CN(C)CC5)C3)c2C1	ZINC000019497116	558895962	/nfs/dbraw/zinc/89/59/62/558895962.db2.gz	FFVKRDIZNWKYLF-UONOGXRCSA-N	-1	3	411.506	2.303	40	0		HEABHM
CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019501109	558899061	/nfs/dbraw/zinc/89/90/61/558899061.db2.gz	YTZCSNHNGKYOKN-AWEZNQCLSA-N	-1	3	412.465	2.224	40	0		HEABHM
CCSCc1nc2c(nnn2C2CCN(Cc3cnc(CC)nc3)CC2)c(=O)[n-]1	ZINC000072337406	558937841	/nfs/dbraw/zinc/93/78/41/558937841.db2.gz	MGGUIOPGBIQZCB-UHFFFAOYSA-N	-1	3	414.539	2.370	40	0		HEABHM
CCSCc1nc2c(nnn2C2CCN(Cc3cnc(C)nc3)CC2)c(=O)[n-]1	ZINC000072337407	558937897	/nfs/dbraw/zinc/93/78/97/558937897.db2.gz	AODBJVPNLZYCIA-UHFFFAOYSA-N	-1	3	400.512	2.116	40	0		HEABHM
COc1cc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc(OC)c1	ZINC000072347265	558944205	/nfs/dbraw/zinc/94/42/05/558944205.db2.gz	ZEVRSMQUTLAZQO-HUUCEWRRSA-N	-1	3	414.506	2.371	40	0		HEABHM
CCc1cc(C(=O)N2CCC(Oc3cccc(C)c3)CC2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019663549	558954479	/nfs/dbraw/zinc/95/44/79/558954479.db2.gz	OYMVABHTOWRXJT-UHFFFAOYSA-N	-1	3	422.485	2.176	40	0		HEABHM
CC[C@@H](C)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccnc2)CC3)CC1	ZINC000072398917	558976622	/nfs/dbraw/zinc/97/66/22/558976622.db2.gz	CPESXGKJGNJFJT-OAHLLOKOSA-N	-1	3	423.517	2.116	40	0		HEABHM
Cc1nc2[n-]cnn2c(=O)c1CC(=O)Nc1ccc2c(c1)CN(Cc1ccccc1)C2	ZINC000019717589	558980567	/nfs/dbraw/zinc/98/05/67/558980567.db2.gz	XZOCHBUAKJTYJW-UHFFFAOYSA-N	-1	3	414.469	2.423	40	0		HEABHM
CCOc1cc(C(=S)N2CCN(C)CC2)cc(I)c1[O-]	ZINC000006958936	559232413	/nfs/dbraw/zinc/23/24/13/559232413.db2.gz	ZAJTTZRJWAKSOI-UHFFFAOYSA-N	-1	3	406.289	2.318	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139078112	559288435	/nfs/dbraw/zinc/28/84/35/559288435.db2.gz	GIBKOHGETGDDIY-IUODEOHRSA-N	-1	3	411.462	2.079	40	0		HEABHM
O=C(C1CC1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1	ZINC000005763027	560627576	/nfs/dbraw/zinc/62/75/76/560627576.db2.gz	DJNKVBKQGVJXQV-CQSZACIVSA-N	-1	3	412.881	2.332	40	0		HEABHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1	ZINC000409377381	560718042	/nfs/dbraw/zinc/71/80/42/560718042.db2.gz	HCCMRABEFGFPTJ-GOSISDBHSA-N	-1	3	404.488	2.470	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1	ZINC000409389082	560720312	/nfs/dbraw/zinc/72/03/12/560720312.db2.gz	GGBQLQBERTVXPC-UHFFFAOYSA-N	-1	3	420.487	2.124	40	0		HEABHM
COC(=O)CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O	ZINC000106744040	560746017	/nfs/dbraw/zinc/74/60/17/560746017.db2.gz	SPBKYLYKQSQUHC-YHYXMXQVSA-N	-1	3	419.196	2.206	40	0		HEABHM
COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000012580362	560782912	/nfs/dbraw/zinc/78/29/12/560782912.db2.gz	NENBHCDKYAJCPI-KKZNHRDASA-N	-1	3	410.860	2.010	40	0		HEABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc(S(=O)(=O)N(C)C)cc1	ZINC000020768676	568458296	/nfs/dbraw/zinc/45/82/96/568458296.db2.gz	UMYGUCXYZXRTHQ-UHFFFAOYSA-N	-1	3	418.924	2.077	40	0		HEABHM
CCOc1cc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)ccc1OCCO	ZINC000057742425	568495584	/nfs/dbraw/zinc/49/55/84/568495584.db2.gz	FLZQEPWRFLOKDD-UHFFFAOYSA-N	-1	3	422.485	2.160	40	0		HEABHM
COc1ccc(CC[N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2Cl)cc1OC	ZINC000223323761	568545275	/nfs/dbraw/zinc/54/52/75/568545275.db2.gz	JHCDPFVQKXJMHP-UHFFFAOYSA-N	-1	3	412.851	2.313	40	0		HEABHM
Cc1nc(COC[C@H]2CCS(=O)(=O)C23CN(C(=O)c2cccc([O-])c2)C3)cs1	ZINC000306125985	568888621	/nfs/dbraw/zinc/88/86/21/568888621.db2.gz	DIHNCDIWYZGEPC-OAHLLOKOSA-N	-1	3	422.528	2.003	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@H]4C[C@@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000019463208	569345527	/nfs/dbraw/zinc/34/55/27/569345527.db2.gz	QBSCHBALMCVDRS-JQHSSLGASA-N	-1	3	414.550	2.494	40	0		HEABHM
CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)ccc21	ZINC000007323325	132323876	/nfs/dbraw/zinc/32/38/76/132323876.db2.gz	TUJQFTCZZPZGQR-UHFFFAOYSA-N	-1	3	401.488	2.233	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@@H](C)COC)cc2)cc1	ZINC000408591530	557503757	/nfs/dbraw/zinc/50/37/57/557503757.db2.gz	JLZORTQIDRKMJL-HNNXBMFYSA-N	-1	3	422.503	2.416	40	0		HEABHM
COc1ccccc1CNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408623843	557551472	/nfs/dbraw/zinc/55/14/72/557551472.db2.gz	QARFDTKMHCECLB-LBPRGKRZSA-N	-1	3	412.895	2.340	40	0		HEABHM
Cc1cc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)ccc1[N-]S(C)(=O)=O	ZINC000010365337	557861708	/nfs/dbraw/zinc/86/17/08/557861708.db2.gz	WNKVACGIQUODJU-UHFFFAOYSA-N	-1	3	411.505	2.015	40	0		HEABHM
CC(=O)N1CCC(C(=O)N2CC[C@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)CC1	ZINC000019016711	558837154	/nfs/dbraw/zinc/83/71/54/558837154.db2.gz	OGDACULQAPUGBU-HNNXBMFYSA-N	-1	3	400.504	2.485	40	0		HEABHM
COc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1	ZINC000019018949	558837260	/nfs/dbraw/zinc/83/72/60/558837260.db2.gz	VKWLBZVFTRBWLI-HXUWFJFHSA-N	-1	3	424.501	2.392	40	0		HEABHM
Cc1ccccc1CN1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019237213	558856450	/nfs/dbraw/zinc/85/64/50/558856450.db2.gz	CCMRLEBXTRGSJB-LJQANCHMSA-N	-1	3	416.547	2.123	40	0		HEABHM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344255	558872802	/nfs/dbraw/zinc/87/28/02/558872802.db2.gz	BGAXQQZDNKXDCK-KGLIPLIRSA-N	-1	3	421.544	2.029	40	0		HEABHM
O=C(CCc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019370645	558878795	/nfs/dbraw/zinc/87/87/95/558878795.db2.gz	XEQUJWHNNVIWED-GOSISDBHSA-N	-1	3	420.513	2.013	40	0		HEABHM
C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)CN(C)CC5)C3)c2C1	ZINC000019497117	558895932	/nfs/dbraw/zinc/89/59/32/558895932.db2.gz	FFVKRDIZNWKYLF-KGLIPLIRSA-N	-1	3	411.506	2.303	40	0		HEABHM
CCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1	ZINC000019498758	558897036	/nfs/dbraw/zinc/89/70/36/558897036.db2.gz	RTSBJISVGYDRBV-ZDUSSCGKSA-N	-1	3	400.504	2.146	40	0		HEABHM
CCS(=O)(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019520312	558901208	/nfs/dbraw/zinc/90/12/08/558901208.db2.gz	FYWFIXMTHBBLIW-AWEZNQCLSA-N	-1	3	422.576	2.331	40	0		HEABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)n1	ZINC000019522538	558903841	/nfs/dbraw/zinc/90/38/41/558903841.db2.gz	JUXWTBFIBYJLOE-HNNXBMFYSA-N	-1	3	401.463	2.264	40	0		HEABHM
COc1ccccc1CN1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1	ZINC000019570075	558929011	/nfs/dbraw/zinc/92/90/11/558929011.db2.gz	BWOXSLARLVLJHP-SFHVURJKSA-N	-1	3	422.529	2.453	40	0		HEABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccnc4ccccc24)C3)C[C@H](C)O1	ZINC000072335592	558936650	/nfs/dbraw/zinc/93/66/50/558936650.db2.gz	HBJHIZSBWNMCFB-HOTGVXAUSA-N	-1	3	405.502	2.490	40	0		HEABHM
COc1cc(CN2CCc3c(=O)[n-]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)ccc1O	ZINC000072347236	558943908	/nfs/dbraw/zinc/94/39/08/558943908.db2.gz	GDYQIXZJHTUWHC-KBPBESRZSA-N	-1	3	400.479	2.068	40	0		HEABHM
C[C@@H]1C[C@@H]1C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000072399119	558976470	/nfs/dbraw/zinc/97/64/70/558976470.db2.gz	LGDYXTVNKUNWID-KEYYUXOJSA-N	-1	3	424.476	2.079	40	0		HEABHM
CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C2CCOCC2)CC4)C1	ZINC000100233626	559132665	/nfs/dbraw/zinc/13/26/65/559132665.db2.gz	XTZRTTGOPMMXBY-OAHLLOKOSA-N	-1	3	413.522	2.088	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1n[n-]c(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000104247836	559159448	/nfs/dbraw/zinc/15/94/48/559159448.db2.gz	PJEVBQPAYMGUAF-RKDXNWHRSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)[n-]1	ZINC000104247836	559159450	/nfs/dbraw/zinc/15/94/50/559159450.db2.gz	PJEVBQPAYMGUAF-RKDXNWHRSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1nc(NC(=O)Nc2ccc(Cl)cc2)n[n-]1	ZINC000104247836	559159452	/nfs/dbraw/zinc/15/94/52/559159452.db2.gz	PJEVBQPAYMGUAF-RKDXNWHRSA-N	-1	3	407.814	2.153	40	0		HEABHM
O=C([O-])C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CCN1CCN(c2ccccn2)CC1	ZINC000020463390	560093007	/nfs/dbraw/zinc/09/30/07/560093007.db2.gz	JDCJVBZKOGRMHE-PMACEKPBSA-N	-1	3	414.550	2.333	40	0	biogenic,in-vitro	HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cc2)CC1	ZINC000409370845	560716834	/nfs/dbraw/zinc/71/68/34/560716834.db2.gz	URWNZEXKVPSBNI-UHFFFAOYSA-N	-1	3	417.531	2.339	40	0		HEABHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)cc1	ZINC000170551437	560767284	/nfs/dbraw/zinc/76/72/84/560767284.db2.gz	PLTUBMFEIIHRHW-UHFFFAOYSA-N	-1	3	403.504	2.274	40	0		HEABHM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1	ZINC000223247641	568542570	/nfs/dbraw/zinc/54/25/70/568542570.db2.gz	DIGOPWCKFVWBRT-UHFFFAOYSA-N	-1	3	405.476	2.221	40	0		HEABHM
[O-]c1cccnc1CN1CC[C@]2(C1)COCc1cnc(NCC3CCOCC3)nc12	ZINC000248069871	568747263	/nfs/dbraw/zinc/74/72/63/568747263.db2.gz	XODVTMLTGWOKQK-QFIPXVFZSA-N	-1	3	411.506	2.090	40	0		HEABHM
COC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)cc(C(=O)OC)c1	ZINC000010314172	569343358	/nfs/dbraw/zinc/34/33/58/569343358.db2.gz	FVYBPMVDVATEFZ-UHFFFAOYSA-N	-1	3	420.443	2.192	40	0		HEABHM
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1	ZINC000007708332	132325469	/nfs/dbraw/zinc/32/54/69/132325469.db2.gz	NPINYNRPODAPSI-UHFFFAOYSA-N	-1	3	401.488	2.451	40	0		HEABHM
COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000408592773	557506208	/nfs/dbraw/zinc/50/62/08/557506208.db2.gz	LSABODSKOCTFIN-AWEZNQCLSA-N	-1	3	408.476	2.026	40	0		HEABHM
COc1ccccc1CNC(=O)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)ccc1OC	ZINC000408623840	557551506	/nfs/dbraw/zinc/55/15/06/557551506.db2.gz	QARFDTKMHCECLB-GFCCVEGCSA-N	-1	3	412.895	2.340	40	0		HEABHM
COc1cccc(CCC(=O)N2CCC[C@@H](Cn3nnc4c3nc(C)[n-]c4=O)C2)c1	ZINC000012085020	558320998	/nfs/dbraw/zinc/32/09/98/558320998.db2.gz	SUQKKMTVVYTBCS-MRXNPFEDSA-N	-1	3	410.478	2.115	40	0		HEABHM
COc1ccc(CCC(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(C)=O)C4)C2)cc1	ZINC000019019078	558837487	/nfs/dbraw/zinc/83/74/87/558837487.db2.gz	RAMZVFAPJJGPRL-QGZVFWFLSA-N	-1	3	424.501	2.044	40	0		HEABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(c3ccccc3F)CCOCC2)s1	ZINC000019022989	558838156	/nfs/dbraw/zinc/83/81/56/558838156.db2.gz	XOKIGFODDKPNFU-UHFFFAOYSA-N	-1	3	413.496	2.267	40	0		HEABHM
O=C(C[C@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339495	558871069	/nfs/dbraw/zinc/87/10/69/558871069.db2.gz	XNSGMZKYRQOUHV-HKUYNNGSSA-N	-1	3	419.529	2.395	40	0		HEABHM
CC(C)N1CCc2nc([C@@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1	ZINC000019448184	558887186	/nfs/dbraw/zinc/88/71/86/558887186.db2.gz	YFDAOBSDRCOAHE-IBGZPJMESA-N	-1	3	424.549	2.365	40	0		HEABHM
C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4nc5c(c(=O)[n-]4)CN(C)CC5)C3)c2C1	ZINC000019497115	558895920	/nfs/dbraw/zinc/89/59/20/558895920.db2.gz	FFVKRDIZNWKYLF-ZIAGYGMSSA-N	-1	3	411.506	2.303	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc4cccnc42)C3)C[C@H](C)O1	ZINC000019497604	558896448	/nfs/dbraw/zinc/89/64/48/558896448.db2.gz	PGJUTWVFDYSYAC-IYBDPMFKSA-N	-1	3	405.502	2.490	40	0		HEABHM
CCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(C)cc2)CC3)C1	ZINC000019498755	558897121	/nfs/dbraw/zinc/89/71/21/558897121.db2.gz	APDHZPPOYSQAMR-QGZVFWFLSA-N	-1	3	408.502	2.393	40	0		HEABHM
CCC(=O)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)nc2C1	ZINC000019499122	558897274	/nfs/dbraw/zinc/89/72/74/558897274.db2.gz	ZWMSWLILQVGHBV-GOSISDBHSA-N	-1	3	424.505	2.033	40	0		HEABHM
CCc1c(C)nc([C@@H]2CCCN2C(=O)COc2c(OC)cccc2OC)[n-]c1=O	ZINC000019521578	558902831	/nfs/dbraw/zinc/90/28/31/558902831.db2.gz	FRQACFNYDPOGSO-HNNXBMFYSA-N	-1	3	401.463	2.400	40	0		HEABHM
CCOc1cc(CCC(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)on1	ZINC000019532299	558912667	/nfs/dbraw/zinc/91/26/67/558912667.db2.gz	JFWCSOAARFRLOH-CQSZACIVSA-N	-1	3	409.446	2.167	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1	ZINC000019556969	558919168	/nfs/dbraw/zinc/91/91/68/558919168.db2.gz	XZMBJKVZOLFWRO-AWEZNQCLSA-N	-1	3	412.471	2.019	40	0		HEABHM
CCn1cncc1C(=O)N[C@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1	ZINC000019578499	558934172	/nfs/dbraw/zinc/93/41/72/558934172.db2.gz	TYOONRSZMYWQOU-GOSISDBHSA-N	-1	3	424.480	2.439	40	0		HEABHM
O=C(c1ccc(CN2CCCCC2)o1)N1CCc2c(=O)[n-]c(N3CCCC3)nc2C1	ZINC000072346946	558943712	/nfs/dbraw/zinc/94/37/12/558943712.db2.gz	NRWIYVIUKJODOE-UHFFFAOYSA-N	-1	3	411.506	2.148	40	0		HEABHM
COc1cc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc(OC)c1	ZINC000072347263	558944282	/nfs/dbraw/zinc/94/42/82/558944282.db2.gz	ZEVRSMQUTLAZQO-GASCZTMLSA-N	-1	3	414.506	2.371	40	0		HEABHM
O=C(C1CC1)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C1CCOCC1)CC3	ZINC000100234200	559132726	/nfs/dbraw/zinc/13/27/26/559132726.db2.gz	OODOVAAQCMUHQZ-LJQANCHMSA-N	-1	3	411.506	2.046	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1	ZINC000139090806	559288427	/nfs/dbraw/zinc/28/84/27/559288427.db2.gz	TZOJPZUYANWWFG-SWLSCSKDSA-N	-1	3	411.462	2.222	40	0		HEABHM
COCCCNC(=O)CN1C(=O)S/C(=C\c2cc(Cl)c([O-])c(OC)c2)C1=O	ZINC000409211323	560695129	/nfs/dbraw/zinc/69/51/29/560695129.db2.gz	MWGMGYWRJOXSSY-JYRVWZFOSA-N	-1	3	414.867	2.243	40	0		HEABHM
Cc1c([O-])ccc2c(C)c(CC(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)c(=O)oc12	ZINC000213455806	568456618	/nfs/dbraw/zinc/45/66/18/568456618.db2.gz	JSDINJGUOLGFLA-JKSUJKDBSA-N	-1	3	420.465	2.466	40	0		HEABHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCN(C)CC4)cc3)cc2sc1=O	ZINC000225682877	568664005	/nfs/dbraw/zinc/66/40/05/568664005.db2.gz	HDOMSKISTOSXGO-UHFFFAOYSA-N	-1	3	418.544	2.153	40	0		HEABHM
O=S(=O)([N-][C@H]1CCc2nc(NCc3cccnc3)ncc2C1)c1cccs1	ZINC000306124420	568887487	/nfs/dbraw/zinc/88/74/87/568887487.db2.gz	BPLDBVYEUOAPGK-HNNXBMFYSA-N	-1	3	401.517	2.381	40	0		HEABHM
Cc1ncsc1C(=O)N[C@H]1CCCC[C@@]12CN(Cc1ncccc1[O-])CCO2	ZINC000306142546	568904294	/nfs/dbraw/zinc/90/42/94/568904294.db2.gz	XCQAWEIMGDWUOX-FXAWDEMLSA-N	-1	3	402.520	2.496	40	0		HEABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2)cc1	ZINC000575421521	569025801	/nfs/dbraw/zinc/02/58/01/569025801.db2.gz	IURXTLLSSMKAEV-RTBURBONSA-N	-1	3	424.544	2.181	40	0		HEABHM
CCc1nnc([N-]c2cc([C@@H]3CCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1	ZINC000585291965	571310052	/nfs/dbraw/zinc/31/00/52/571310052.db2.gz	HNZJNGAFIPMQRY-HEWZJLJBSA-N	-1	3	401.540	2.724	40	0		HEABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1NC(C)=O	ZINC000006316325	132310350	/nfs/dbraw/zinc/31/03/50/132310350.db2.gz	OKXRCVGKEBYLMN-UHFFFAOYSA-N	-1	3	405.476	2.291	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388831	526198940	/nfs/dbraw/zinc/19/89/40/526198940.db2.gz	VOTLBBVNVMPCJL-DOMZBBRYSA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1cccc(-c2nc3c(s2)CN(C(=O)CC[C@]2(C)NC(=O)[N-]C2=O)CC3)c1	ZINC000019719911	558258495	/nfs/dbraw/zinc/25/84/95/558258495.db2.gz	IJUJTFINOXIMTA-FQEVSTJZSA-N	-1	3	414.487	2.082	40	0		HEABHM
CN1[C@@H](C(=O)Nc2cc(Cl)ccc2[O-])C[C@@H](c2cccs2)NS1(=O)=O	ZINC000012129962	558332284	/nfs/dbraw/zinc/33/22/84/558332284.db2.gz	VRNMSRYKHDISNG-NWDGAFQWSA-N	-1	3	401.897	2.325	40	0		HEABHM
O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CC3)nc2C1	ZINC000019342839	558872197	/nfs/dbraw/zinc/87/21/97/558872197.db2.gz	RWEAGYZRKCFNKP-MRXNPFEDSA-N	-1	3	412.515	2.494	40	0		HEABHM
O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CCC4)C3)nc2C1	ZINC000019347652	558874030	/nfs/dbraw/zinc/87/40/30/558874030.db2.gz	UEDFAHONFDLBES-HNNXBMFYSA-N	-1	3	424.476	2.224	40	0		HEABHM
O=c1cc(CCn2ncc3c2CCCC3)nc(NC[C@H]2COc3ccccc3O2)[n-]1	ZINC000019375721	558881864	/nfs/dbraw/zinc/88/18/64/558881864.db2.gz	VJZNIRCYNYCVTP-KRWDZBQOSA-N	-1	3	407.474	2.340	40	0		HEABHM
COc1cc(CC(=O)N2CCC[C@@H]2c2nc(C)c(C)c(=O)[n-]2)cc(OC)c1OC	ZINC000019555446	558918099	/nfs/dbraw/zinc/91/80/99/558918099.db2.gz	NZXLLXPRDLQUGP-OAHLLOKOSA-N	-1	3	401.463	2.319	40	0		HEABHM
COc1ccc(CN2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1	ZINC000019555207	558918334	/nfs/dbraw/zinc/91/83/34/558918334.db2.gz	MHHUIOSUSOPUIY-GOSISDBHSA-N	-1	3	422.529	2.453	40	0		HEABHM
Cc1cc(S(=O)(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)ccc1F	ZINC000019570765	558929519	/nfs/dbraw/zinc/92/95/19/558929519.db2.gz	RZYYNLHNVURMLQ-HNNXBMFYSA-N	-1	3	414.462	2.458	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccnc4ccccc24)C3)C[C@@H](C)O1	ZINC000072335593	558936765	/nfs/dbraw/zinc/93/67/65/558936765.db2.gz	HBJHIZSBWNMCFB-HZPDHXFCSA-N	-1	3	405.502	2.490	40	0		HEABHM
CN(C)c1ncc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1	ZINC000019585428	558939012	/nfs/dbraw/zinc/93/90/12/558939012.db2.gz	YMXPWJPBXOZRLV-ZDUSSCGKSA-N	-1	3	410.503	2.374	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4nccnc4c2)C3)C[C@@H](C)O1	ZINC000072347313	558944262	/nfs/dbraw/zinc/94/42/62/558944262.db2.gz	NJBMACVVIPFHMH-HUUCEWRRSA-N	-1	3	406.490	2.297	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1	ZINC000040389062	558948699	/nfs/dbraw/zinc/94/86/99/558948699.db2.gz	TZOJPZUYANWWFG-DOMZBBRYSA-N	-1	3	411.462	2.222	40	0		HEABHM
CCn1cc(CN2CCc3nc(C4CCN(C(=O)C5CCC5)CC4)[n-]c(=O)c3C2)cn1	ZINC000072398934	558976488	/nfs/dbraw/zinc/97/64/88/558976488.db2.gz	KIHOHHZMRCPUKU-UHFFFAOYSA-N	-1	3	424.549	2.051	40	0		HEABHM
C=Cn1cc(CN2CCC(c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)CC2)c(C)n1	ZINC000072399006	558976517	/nfs/dbraw/zinc/97/65/17/558976517.db2.gz	GTWNBNUTPNGJBJ-UHFFFAOYSA-N	-1	3	422.533	2.050	40	0		HEABHM
CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)[C@@H]4CCCO4)[n-]n3c2=O)C1	ZINC000100234081	559132673	/nfs/dbraw/zinc/13/26/73/559132673.db2.gz	SYPXEONJZDDMNS-MOPGFXCFSA-N	-1	3	413.522	2.434	40	0		HEABHM
CC(C)C(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C1CCOCC1)CC3	ZINC000100234192	559132695	/nfs/dbraw/zinc/13/26/95/559132695.db2.gz	VKXNSQVCAWYJFI-LJQANCHMSA-N	-1	3	413.522	2.292	40	0		HEABHM
O=C(Nc1cc(Cl)ccc1[O-])c1cc(S(=O)(=O)N2CCOCC2)cs1	ZINC000006680835	560633983	/nfs/dbraw/zinc/63/39/83/560633983.db2.gz	RCRKOOWNNACLOY-UHFFFAOYSA-N	-1	3	402.881	2.380	40	0		HEABHM
COc1ccccc1-c1cc(=O)[n-]c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1	ZINC000014608505	560847448	/nfs/dbraw/zinc/84/74/48/560847448.db2.gz	DNIYXUKSBZGRBO-UHFFFAOYSA-N	-1	3	420.469	2.496	40	0		HEABHM
O=C([O-])COc1cccc(CN2CC[C@]3(C2)COCc2cnc(NC4CC4)nc23)c1	ZINC000306129448	568892119	/nfs/dbraw/zinc/89/21/19/568892119.db2.gz	IDPHDPNUMYPJBY-QFIPXVFZSA-N	-1	3	410.474	2.188	40	0		HEABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@@H]3O)cc2)cc1	ZINC000575421519	569025741	/nfs/dbraw/zinc/02/57/41/569025741.db2.gz	IURXTLLSSMKAEV-OALUTQOASA-N	-1	3	424.544	2.181	40	0		HEABHM
O=S(=O)(NN=c1nc(N2CCCCC2)nc(N2CCCCC2)[n-]1)c1ccccc1	ZINC000006575497	132311807	/nfs/dbraw/zinc/31/18/07/132311807.db2.gz	DVLDVGNMJKJENE-UHFFFAOYSA-N	-1	3	417.539	2.158	40	0		HEABHM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)N1CCOCC1	ZINC000408612111	557530143	/nfs/dbraw/zinc/53/01/43/557530143.db2.gz	YLNKTPKQCHGFHO-CQSZACIVSA-N	-1	3	408.451	2.253	40	0		HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1	ZINC000408703574	557728661	/nfs/dbraw/zinc/72/86/61/557728661.db2.gz	TXHGCFZJUPNZHO-UHFFFAOYSA-N	-1	3	411.505	2.096	40	0		HEABHM
CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000022609907	558501444	/nfs/dbraw/zinc/50/14/44/558501444.db2.gz	GPXDRHHLEASUKM-OAHLLOKOSA-N	-1	3	411.462	2.223	40	0		HEABHM
O=C(Cc1ccccc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1	ZINC000019370104	558878130	/nfs/dbraw/zinc/87/81/30/558878130.db2.gz	RSGOJAAHKWWCJM-GOSISDBHSA-N	-1	3	420.513	2.013	40	0		HEABHM
COc1cccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)c1	ZINC000019448273	558887166	/nfs/dbraw/zinc/88/71/66/558887166.db2.gz	PXTVPVWEDUCVFD-HXUWFJFHSA-N	-1	3	410.518	2.451	40	0		HEABHM
C[C@H]1Oc2ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)c3cccs3)cc2NC1=O	ZINC000019462080	558893963	/nfs/dbraw/zinc/89/39/63/558893963.db2.gz	KFRFGRYLMPYNST-SNVBAGLBSA-N	-1	3	409.489	2.163	40	0		HEABHM
CCC(=O)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)c3cc(C4CC4)n[nH]3)nc2C1	ZINC000019499121	558897348	/nfs/dbraw/zinc/89/73/48/558897348.db2.gz	ZWMSWLILQVGHBV-SFHVURJKSA-N	-1	3	424.505	2.033	40	0		HEABHM
CCc1ccccc1Nc1noc2c1CN(C(=O)CC[C@@]1(C)NC(=O)[N-]C1=O)CC2	ZINC000019523048	558904082	/nfs/dbraw/zinc/90/40/82/558904082.db2.gz	MXQKIVZUDRNDPL-OAQYLSRUSA-N	-1	3	411.462	2.244	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)C5CC5)C4)nc3C2)cc1	ZINC000019555606	558918481	/nfs/dbraw/zinc/91/84/81/558918481.db2.gz	HTYNNVUJKHUTTK-QGZVFWFLSA-N	-1	3	408.502	2.475	40	0		HEABHM
COc1cc(OC)c(OC)cc1CN1CCc2nc(-c3ccncc3)[n-]c(=O)c2CC1	ZINC000019595009	558945924	/nfs/dbraw/zinc/94/59/24/558945924.db2.gz	JFGXUYRABIXNNP-UHFFFAOYSA-N	-1	3	422.485	2.459	40	0		HEABHM
COCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(Cc2csc(C)c2)CC3)CC1	ZINC000072398970	558976555	/nfs/dbraw/zinc/97/65/55/558976555.db2.gz	VQUZCERUJYTVOU-UHFFFAOYSA-N	-1	3	416.547	2.051	40	0		HEABHM
C[C@H](c1cc(=O)[n-]c(N(C)CCc2ccccn2)n1)n1ncc2ccccc2c1=O	ZINC000019717549	558980241	/nfs/dbraw/zinc/98/02/41/558980241.db2.gz	PIIMTNRLUDOOMM-OAHLLOKOSA-N	-1	3	402.458	2.163	40	0		HEABHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)C3CCCC3)CC[C@H]2CC(=O)[O-])CC1	ZINC000020463201	560093052	/nfs/dbraw/zinc/09/30/52/560093052.db2.gz	PCPJBENTSGELHP-PMACEKPBSA-N	-1	3	407.555	2.060	40	0	biogenic,in-vitro	HEABHM
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc([O-])c(I)c1	ZINC000020609364	560885894	/nfs/dbraw/zinc/88/58/94/560885894.db2.gz	VXWOEJXEDNGAAD-LBPRGKRZSA-N	-1	3	418.256	2.353	40	0		HEABHM
Cc1ccc(Cn2nnc3c2nc([C@H]2CCCN(C(=O)c4ccco4)C2)[n-]c3=O)cc1	ZINC000018191356	560870932	/nfs/dbraw/zinc/87/09/32/560870932.db2.gz	YEWYWVBIWCJYOA-INIZCTEOSA-N	-1	3	418.457	2.484	40	0		HEABHM
COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)ccc1C	ZINC000223825048	568559939	/nfs/dbraw/zinc/55/99/39/568559939.db2.gz	UAUYEKGDNBRZIA-UHFFFAOYSA-N	-1	3	403.504	2.334	40	0		HEABHM
Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3cccc(Nc4ccccn4)n3)C2)c(=O)[n-]1	ZINC000257205454	568777644	/nfs/dbraw/zinc/77/76/44/568777644.db2.gz	AZDGSRURUGOZRJ-GOSISDBHSA-N	-1	3	420.473	2.475	40	0		HEABHM
CN1C(=O)CO[C@H]2CCN(Cc3ccc(C(C)(C)C)cc3OCC(=O)[O-])CC[C@@H]21	ZINC000257265605	568794175	/nfs/dbraw/zinc/79/41/75/568794175.db2.gz	LZJRGHMKJYPUCA-ROUUACIJSA-N	-1	3	404.507	2.269	40	0		HEABHM
COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)o1	ZINC000257305396	568806166	/nfs/dbraw/zinc/80/61/66/568806166.db2.gz	SPUYEPHXOZIXKW-CQSZACIVSA-N	-1	3	410.430	2.495	40	0		HEABHM
CC(C)N1CCc2c(nc3cc([C@H]4CCCCN4C(=O)[C@H]4CCCO4)[n-]n3c2=O)C1	ZINC000248172758	569316652	/nfs/dbraw/zinc/31/66/52/569316652.db2.gz	SYPXEONJZDDMNS-RTBURBONSA-N	-1	3	413.522	2.434	40	0		HEABHM
COc1ccc(-c2cn3c(n2)CO[C@@H](C[N-]S(=O)(=O)c2cccs2)C3)cc1	ZINC000096269315	291207944	/nfs/dbraw/zinc/20/79/44/291207944.db2.gz	LRYAKHYNXOLIMA-HNNXBMFYSA-N	-1	3	405.501	2.498	40	0	biogenic,in-vitro	HEABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC[C@H]1CCCO1	ZINC000408536190	557328509	/nfs/dbraw/zinc/32/85/09/557328509.db2.gz	YMMYIZHURYXUPP-QGZVFWFLSA-N	-1	3	408.451	2.301	40	0		HEABHM
CCOc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCCC4)[n-]c(=O)c32)cc1	ZINC000022609911	558501440	/nfs/dbraw/zinc/50/14/40/558501440.db2.gz	GPXDRHHLEASUKM-HNNXBMFYSA-N	-1	3	411.462	2.223	40	0		HEABHM
O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019405557	558884905	/nfs/dbraw/zinc/88/49/05/558884905.db2.gz	YBKNKFNRZHDIPD-LLVKDONJSA-N	-1	3	404.352	2.204	40	0		HEABHM
CC(C)N1CCc2nc([C@H]3CCCCN3C(=O)c3ccnc(N(C)C)c3)[n-]c(=O)c2C1	ZINC000019448186	558887145	/nfs/dbraw/zinc/88/71/45/558887145.db2.gz	YFDAOBSDRCOAHE-LJQANCHMSA-N	-1	3	424.549	2.365	40	0		HEABHM
C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019463389	558894359	/nfs/dbraw/zinc/89/43/59/558894359.db2.gz	GQEJABFVPSXWEN-MOXGXCLJSA-N	-1	3	407.518	2.433	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1	ZINC000019556975	558919259	/nfs/dbraw/zinc/91/92/59/558919259.db2.gz	QOLKOPGLFOAKRR-HNNXBMFYSA-N	-1	3	412.471	2.019	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000019570569	558929478	/nfs/dbraw/zinc/92/94/78/558929478.db2.gz	NJJWZDDZOBYLGF-KRWDZBQOSA-N	-1	3	408.502	2.475	40	0		HEABHM
CN1CCc2nc([C@@H]3CCCN(C(=O)COc4ccccc4F)C3)[n-]c(=O)c2C1	ZINC000019590247	558940954	/nfs/dbraw/zinc/94/09/54/558940954.db2.gz	MGZMAEHKRGKWEB-CQSZACIVSA-N	-1	3	400.454	2.094	40	0		HEABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc4cccnc42)C3)C[C@H](C)O1	ZINC000072347175	558943813	/nfs/dbraw/zinc/94/38/13/558943813.db2.gz	PGJUTWVFDYSYAC-HOTGVXAUSA-N	-1	3	405.502	2.490	40	0		HEABHM
CC(=O)Nc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347267	558944119	/nfs/dbraw/zinc/94/41/19/558944119.db2.gz	FNYKUOLKYZUBGW-GJZGRUSLSA-N	-1	3	411.506	2.313	40	0		HEABHM
CN1CCc2nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)[n-]c(=O)c2C1	ZINC000072398680	558976397	/nfs/dbraw/zinc/97/63/97/558976397.db2.gz	FUKJVWQUSXILIK-UHFFFAOYSA-N	-1	3	405.502	2.188	40	0		HEABHM
COc1nn(Cc2cc(=O)[n-]c(N[C@H](C)c3ccncc3)n2)c(=O)c2ccccc21	ZINC000019717571	558980227	/nfs/dbraw/zinc/98/02/27/558980227.db2.gz	VLPXSYCJFSRBIH-CYBMUJFWSA-N	-1	3	404.430	2.105	40	0		HEABHM
O=C(C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCC(F)(F)CC1	ZINC000585095693	559023297	/nfs/dbraw/zinc/02/32/97/559023297.db2.gz	CEQYURWIEGTVGQ-MRXNPFEDSA-N	-1	3	404.417	2.434	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCOC)cc2)cc1	ZINC000409388119	560720125	/nfs/dbraw/zinc/72/01/25/560720125.db2.gz	CCRKAMOAJCQLKN-UHFFFAOYSA-N	-1	3	408.476	2.028	40	0		HEABHM
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c1	ZINC000010314741	560767356	/nfs/dbraw/zinc/76/73/56/560767356.db2.gz	IRNSKRGJDACYKO-UHFFFAOYSA-N	-1	3	420.443	2.192	40	0		HEABHM
COc1cc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc(OC)c1[O-]	ZINC000013126015	560800223	/nfs/dbraw/zinc/80/02/23/560800223.db2.gz	YOWJORQPDBDJQP-UHFFFAOYSA-N	-1	3	405.436	2.232	40	0		HEABHM
C[C@@H]1C[C@H]1C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019462752	569345541	/nfs/dbraw/zinc/34/55/41/569345541.db2.gz	LGDYXTVNKUNWID-CKEIUWERSA-N	-1	3	424.476	2.079	40	0		HEABHM
COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000106375255	569352649	/nfs/dbraw/zinc/35/26/49/569352649.db2.gz	UZTWWBRJCKXLMZ-UHFFFAOYSA-N	-1	3	408.476	2.028	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000408605160	557517454	/nfs/dbraw/zinc/51/74/54/557517454.db2.gz	MTJJEAKNLYRZRH-OAHLLOKOSA-N	-1	3	420.487	2.122	40	0		HEABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1NC(C)=O	ZINC000007109225	557735019	/nfs/dbraw/zinc/73/50/19/557735019.db2.gz	YGWUCCUNXCUYTA-UHFFFAOYSA-N	-1	3	418.519	2.206	40	0		HEABHM
O=c1[nH]c2ccc(Cl)cc2c(N[C@@H]2CN3CCC2CC3)c1-c1nc2ccccc2[n-]1	ZINC000136833129	558262172	/nfs/dbraw/zinc/26/21/72/558262172.db2.gz	VBIIUHUSFOLTIU-LJQANCHMSA-N	-1	3	419.916	2.041	40	0	in-vitro	HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCCOC)cc1	ZINC000019886519	558302159	/nfs/dbraw/zinc/30/21/59/558302159.db2.gz	UKSCWPWRIBZBHZ-UHFFFAOYSA-N	-1	3	405.476	2.077	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000016293245	558784483	/nfs/dbraw/zinc/78/44/83/558784483.db2.gz	WTEVOJGGNSPMFP-MRXNPFEDSA-N	-1	3	404.488	2.422	40	0		HEABHM
Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1	ZINC000019211448	558848503	/nfs/dbraw/zinc/84/85/03/558848503.db2.gz	PPKIQMYAGPDXKE-IBGZPJMESA-N	-1	3	416.547	2.371	40	0		HEABHM
Cn1nc(C(=O)N2CC[C@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C(F)(F)F	ZINC000019288729	558861642	/nfs/dbraw/zinc/86/16/42/558861642.db2.gz	DYCJFMILWRXTAG-LBPRGKRZSA-N	-1	3	418.379	2.214	40	0		HEABHM
O=C(c1cccnc1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CCC3)nc2C1	ZINC000019337738	558870629	/nfs/dbraw/zinc/87/06/29/558870629.db2.gz	ZTXJSJBEGXAUEK-IBGZPJMESA-N	-1	3	421.501	2.217	40	0		HEABHM
CC(C)N1CCc2nc3cc([C@H]4CCCN(S(=O)(=O)C(C)C)C4)[n-]n3c(=O)c2C1	ZINC000019448095	558886748	/nfs/dbraw/zinc/88/67/48/558886748.db2.gz	NLTXELKLMWZWSE-HNNXBMFYSA-N	-1	3	421.567	2.119	40	0		HEABHM
C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019463373	558894335	/nfs/dbraw/zinc/89/43/35/558894335.db2.gz	PQELZNRWMQQDON-POZUXBRTSA-N	-1	3	421.501	2.073	40	0		HEABHM
C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4nc5c(c(=O)[n-]4)CN(C)CC5)C3)c2C1	ZINC000019497118	558895945	/nfs/dbraw/zinc/89/59/45/558895945.db2.gz	FFVKRDIZNWKYLF-KBPBESRZSA-N	-1	3	411.506	2.303	40	0		HEABHM
C[C@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497010	558895976	/nfs/dbraw/zinc/89/59/76/558895976.db2.gz	DBCUZMPOFSUAQQ-NSHDSACASA-N	-1	3	412.416	2.250	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccs3)[n-]c2=O)C1	ZINC000019499140	558897525	/nfs/dbraw/zinc/89/75/25/558897525.db2.gz	KINDGWCIDLBTBN-OAHLLOKOSA-N	-1	3	400.504	2.494	40	0		HEABHM
CCCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1	ZINC000019501286	558899264	/nfs/dbraw/zinc/89/92/64/558899264.db2.gz	KCLTZEFDPAHQRS-QGZVFWFLSA-N	-1	3	400.523	2.392	40	0		HEABHM
Cc1cc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)ccc1F	ZINC000019570762	558929381	/nfs/dbraw/zinc/92/93/81/558929381.db2.gz	RZYYNLHNVURMLQ-OAHLLOKOSA-N	-1	3	414.462	2.458	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)c4c(C)oc5c4CCCC5)C3)[n-]c2=O)C1	ZINC000019581194	558936868	/nfs/dbraw/zinc/93/68/68/558936868.db2.gz	HRWQZKCWOVGWPP-HNNXBMFYSA-N	-1	3	424.501	2.084	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)cc1O	ZINC000072347248	558943855	/nfs/dbraw/zinc/94/38/55/558943855.db2.gz	CCSJXANYSZECEG-OKILXGFUSA-N	-1	3	400.479	2.068	40	0		HEABHM
CC(=O)Nc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347268	558944139	/nfs/dbraw/zinc/94/41/39/558944139.db2.gz	FNYKUOLKYZUBGW-HUUCEWRRSA-N	-1	3	411.506	2.313	40	0		HEABHM
C[C@@H]1C[C@H]1C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000072399121	558976543	/nfs/dbraw/zinc/97/65/43/558976543.db2.gz	LGDYXTVNKUNWID-JKIFEVAISA-N	-1	3	424.476	2.079	40	0		HEABHM
COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000223670525	568555647	/nfs/dbraw/zinc/55/56/47/568555647.db2.gz	CTFMSWZLNYXXFO-UHFFFAOYSA-N	-1	3	403.865	2.331	40	0		HEABHM
Cc1cc(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)nc(N2CCOCC2)n1	ZINC000224231291	568574625	/nfs/dbraw/zinc/57/46/25/568574625.db2.gz	FERHKGOCCVCDAX-UHFFFAOYSA-N	-1	3	417.318	2.407	40	0		HEABHM
CCOC(=O)COc1ccc(NC(=O)C2([N-]S(=O)(=O)c3cccs3)CC2)cc1	ZINC000225930259	568686954	/nfs/dbraw/zinc/68/69/54/568686954.db2.gz	BYQDEMNKWQXKJA-UHFFFAOYSA-N	-1	3	424.500	2.140	40	0		HEABHM
CC(C)c1cc(C(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)n(C)n1	ZINC000257268640	568795185	/nfs/dbraw/zinc/79/51/85/568795185.db2.gz	MMOAIDPLXJBVNB-ODXCJYRJSA-N	-1	3	401.467	2.354	40	0		HEABHM
C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCNS(C)(=O)=O)c1[O-])OC2(C)C	ZINC000257326257	568812223	/nfs/dbraw/zinc/81/22/23/568812223.db2.gz	WWMWMZKJVXZNLR-BPLDGKMQSA-N	-1	3	410.536	2.362	40	0		HEABHM
O=S(=O)([N-][C@@H]1CCc2nc(NCc3cccnc3)ncc2C1)c1cccs1	ZINC000306124421	568887440	/nfs/dbraw/zinc/88/74/40/568887440.db2.gz	BPLDBVYEUOAPGK-OAHLLOKOSA-N	-1	3	401.517	2.381	40	0		HEABHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1	ZINC000006234992	569330238	/nfs/dbraw/zinc/33/02/38/569330238.db2.gz	JWCFHSJENNLNQL-UHFFFAOYSA-N	-1	3	404.488	2.342	40	0		HEABHM
C[C@@H]1C[C@@H]1C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019462748	569345581	/nfs/dbraw/zinc/34/55/81/569345581.db2.gz	LGDYXTVNKUNWID-CPUCHLNUSA-N	-1	3	424.476	2.079	40	0		HEABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000033375912	569350448	/nfs/dbraw/zinc/35/04/48/569350448.db2.gz	QJVZOCICEKENKH-VIFPVBQESA-N	-1	3	416.286	2.398	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000139079341	569354344	/nfs/dbraw/zinc/35/43/44/569354344.db2.gz	VOTLBBVNVMPCJL-SWLSCSKDSA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)C(=O)NCc1ccc(F)cc1	ZINC000020016405	558320148	/nfs/dbraw/zinc/32/01/48/558320148.db2.gz	HBKSPPWDJHOYNE-LLVKDONJSA-N	-1	3	400.859	2.471	40	0		HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NCCCOC)cc1	ZINC000020062746	558329788	/nfs/dbraw/zinc/32/97/88/558329788.db2.gz	MOFRTSMAPJRXLE-UHFFFAOYSA-N	-1	3	419.503	2.467	40	0		HEABHM
O=C(c1ccccn1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019400069	558882919	/nfs/dbraw/zinc/88/29/19/558882919.db2.gz	WMTJRRJMUQQIBN-FQEVSTJZSA-N	-1	3	416.485	2.096	40	0		HEABHM
O=C(c1ccccn1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019400072	558882947	/nfs/dbraw/zinc/88/29/47/558882947.db2.gz	WMTJRRJMUQQIBN-HXUWFJFHSA-N	-1	3	416.485	2.096	40	0		HEABHM
C[C@@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1)c1ccccc1	ZINC000019459014	558892881	/nfs/dbraw/zinc/89/28/81/558892881.db2.gz	BZFKXNNQOZKOFD-QAPCUYQASA-N	-1	3	420.513	2.184	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)COc3ccccc3)[n-]c2=O)C1	ZINC000019499109	558897327	/nfs/dbraw/zinc/89/73/27/558897327.db2.gz	NERPTQZQXGABMS-IBGZPJMESA-N	-1	3	424.501	2.197	40	0		HEABHM
CCCC(=O)N1CCc2nc([C@@H]3CCCN(Cc4cnn(CC)c4)C3)[n-]c(=O)c2C1	ZINC000019501602	558899724	/nfs/dbraw/zinc/89/97/24/558899724.db2.gz	FOBIOOBIKIRSPW-QGZVFWFLSA-N	-1	3	412.538	2.051	40	0		HEABHM
CC(=O)Nc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)cc1C	ZINC000019567462	558926845	/nfs/dbraw/zinc/92/68/45/558926845.db2.gz	PZCAMOIYVFAXBO-UHFFFAOYSA-N	-1	3	403.460	2.418	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C/C[C@H](O)[C@H](O)[C@@](N)(CO)C(=O)[O-]	ZINC000005782523	560203215	/nfs/dbraw/zinc/20/32/15/560203215.db2.gz	ZZIKIHCNFWXKDY-HINJQQHYSA-N	-1	3	401.544	2.309	40	0	in-vitro	HEABHM
O=C(Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1)c1ccccc1	ZINC000225875662	568682579	/nfs/dbraw/zinc/68/25/79/568682579.db2.gz	UGVDULXFHLARQG-UHFFFAOYSA-N	-1	3	423.564	2.335	40	0		HEABHM
COC1CCN(C(=O)c2ccc3c(c2[O-])[C@H](O)[C@@]2(O)[C@@H]4C[C@H](C[C@H]2O3)C4(C)C)CC1	ZINC000257205945	568777986	/nfs/dbraw/zinc/77/79/86/568777986.db2.gz	BBEHSICBWZQNGH-QCUNRYDASA-N	-1	3	417.502	2.235	40	0		HEABHM
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257315697	568809020	/nfs/dbraw/zinc/80/90/20/568809020.db2.gz	VCLJTZJITBMCDU-OAQYLSRUSA-N	-1	3	407.430	2.278	40	0		HEABHM
CN(Cc1cc(C(C)(C)C)ccc1OCC(=O)[O-])[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O	ZINC000257330087	568813191	/nfs/dbraw/zinc/81/31/91/568813191.db2.gz	XMSXBUSADDWZBY-WOIUINJBSA-N	-1	3	420.550	2.103	40	0		HEABHM
Cc1ncsc1C(=O)N[C@@H]1CCCC[C@]12CN(Cc1ncccc1[O-])CCO2	ZINC000306142548	568904277	/nfs/dbraw/zinc/90/42/77/568904277.db2.gz	XCQAWEIMGDWUOX-XLIONFOSSA-N	-1	3	402.520	2.496	40	0		HEABHM
O=C(COC(=O)[C@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1)Nc1ccccc1	ZINC000008038173	569338961	/nfs/dbraw/zinc/33/89/61/569338961.db2.gz	HQLKZTGIPYHJCY-ZDUSSCGKSA-N	-1	3	415.833	2.015	40	0		HEABHM
O=C(C[C@@H]1C=CCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339503	569345427	/nfs/dbraw/zinc/34/54/27/569345427.db2.gz	XNSGMZKYRQOUHV-MJGOQNOKSA-N	-1	3	419.529	2.395	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)cc2)cc1Cl	ZINC000408597660	557507836	/nfs/dbraw/zinc/50/78/36/557507836.db2.gz	ZXIASPNHNNOQBH-UHFFFAOYSA-N	-1	3	412.895	2.327	40	0		HEABHM
CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022609931	558501300	/nfs/dbraw/zinc/50/13/00/558501300.db2.gz	HEKPDUFDBZEUIY-CYBMUJFWSA-N	-1	3	411.462	2.223	40	0		HEABHM
Cc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1[N-]S(C)(=O)=O	ZINC000013680281	558566226	/nfs/dbraw/zinc/56/62/26/558566226.db2.gz	OEOKXQZOPGKNHM-UHFFFAOYSA-N	-1	3	417.487	2.091	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019209714	558848023	/nfs/dbraw/zinc/84/80/23/558848023.db2.gz	FPTITZBUYBLCIN-FQEVSTJZSA-N	-1	3	408.502	2.279	40	0		HEABHM
Cc1nc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccn2)cc(=O)[n-]1	ZINC000019240980	558859326	/nfs/dbraw/zinc/85/93/26/558859326.db2.gz	MDFGKAHGGNYIBS-GOSISDBHSA-N	-1	3	403.442	2.434	40	0		HEABHM
O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339469	558871243	/nfs/dbraw/zinc/87/12/43/558871243.db2.gz	RXJOBINSLAKKEW-SFHVURJKSA-N	-1	3	407.518	2.229	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000019463206	558894113	/nfs/dbraw/zinc/89/41/13/558894113.db2.gz	QBSCHBALMCVDRS-RYQLBKOJSA-N	-1	3	414.550	2.494	40	0		HEABHM
CCCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2OC)C3)C1	ZINC000019501115	558899002	/nfs/dbraw/zinc/89/90/02/558899002.db2.gz	OZZGNFGAQGGIPO-KRWDZBQOSA-N	-1	3	410.518	2.453	40	0		HEABHM
CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc(C)cc2)n1	ZINC000019522527	558903735	/nfs/dbraw/zinc/90/37/35/558903735.db2.gz	CNEJQGXITQIFSN-QGZVFWFLSA-N	-1	3	403.504	2.168	40	0		HEABHM
CCOCc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1	ZINC000019531272	558911888	/nfs/dbraw/zinc/91/18/88/558911888.db2.gz	BSFUBHJFLBSTBQ-HXUWFJFHSA-N	-1	3	424.501	2.188	40	0		HEABHM
COc1ccc(OCC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1	ZINC000019556711	558919106	/nfs/dbraw/zinc/91/91/06/558919106.db2.gz	SXDAEQVKSPRLAK-MRXNPFEDSA-N	-1	3	406.442	2.235	40	0		HEABHM
COc1ccc(NC(=O)CN2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)cc1	ZINC000072341828	558940066	/nfs/dbraw/zinc/94/00/66/558940066.db2.gz	PZFXVACXOITWJV-UHFFFAOYSA-N	-1	3	411.506	2.172	40	0		HEABHM
Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc3nc(C4CC4)cc(C(F)(F)F)n3n1)CC2	ZINC000072346556	558943359	/nfs/dbraw/zinc/94/33/59/558943359.db2.gz	DPVNRTOSESLPGD-UHFFFAOYSA-N	-1	3	418.379	2.216	40	0		HEABHM
COc1cc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc(OC)c1	ZINC000072347264	558944148	/nfs/dbraw/zinc/94/41/48/558944148.db2.gz	ZEVRSMQUTLAZQO-GJZGRUSLSA-N	-1	3	414.506	2.371	40	0		HEABHM
COc1cc(OC)c(OC)cc1CN1CCc2nc(-c3ccccn3)[n-]c(=O)c2CC1	ZINC000019595008	558945877	/nfs/dbraw/zinc/94/58/77/558945877.db2.gz	VKNSFGWPKVJIAZ-UHFFFAOYSA-N	-1	3	422.485	2.459	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000040390317	558949190	/nfs/dbraw/zinc/94/91/90/558949190.db2.gz	VHSPQNJRNIOPLK-OLZOCXBDSA-N	-1	3	411.462	2.222	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000139082240	559288454	/nfs/dbraw/zinc/28/84/54/559288454.db2.gz	YJBZJDFIHHFIGG-CHWSQXEVSA-N	-1	3	411.462	2.079	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1C	ZINC000409378186	560718273	/nfs/dbraw/zinc/71/82/73/560718273.db2.gz	NJXUZTJYJNINNO-UHFFFAOYSA-N	-1	3	404.488	2.342	40	0		HEABHM
COc1ccc2c(c1)CCC[C@@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223309348	568544771	/nfs/dbraw/zinc/54/47/71/568544771.db2.gz	GOQKAXQKILUDQD-AWEZNQCLSA-N	-1	3	410.521	2.497	40	0		HEABHM
CN1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc(S(C)(=O)=O)cc3)cc2)CC1	ZINC000223672683	568555745	/nfs/dbraw/zinc/55/57/45/568555745.db2.gz	OEZGWWIQEZOGAA-UHFFFAOYSA-N	-1	3	424.544	2.364	40	0		HEABHM
COc1ccc2c(c1)OC(C)(C)C[C@H]2[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225339539	568630408	/nfs/dbraw/zinc/63/04/08/568630408.db2.gz	GFUPRNNFYNZOLX-GFCCVEGCSA-N	-1	3	412.493	2.086	40	0		HEABHM
CC(C)c1ccc([O-])c(C(=O)N2CC[C@H](n3cnc4c3ncnc4N)[C@@](C)(O)C2)c1	ZINC000257242054	568788145	/nfs/dbraw/zinc/78/81/45/568788145.db2.gz	IAWCAQFCOAHTPW-KKSFZXQISA-N	-1	3	410.478	2.076	40	0		HEABHM
O=C(C[C@@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339500	569345478	/nfs/dbraw/zinc/34/54/78/569345478.db2.gz	XNSGMZKYRQOUHV-IEBWSBKVSA-N	-1	3	419.529	2.395	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[n-]c(=O)c2C1	ZINC000019462760	569345567	/nfs/dbraw/zinc/34/55/67/569345567.db2.gz	UBJARVAUGANOPS-CGTJXYLNSA-N	-1	3	422.529	2.309	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@@H]3CCCN(C(=O)[C@@H]4C[C@@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000019463204	569345601	/nfs/dbraw/zinc/34/56/01/569345601.db2.gz	QBSCHBALMCVDRS-CGTJXYLNSA-N	-1	3	414.550	2.494	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21	ZINC000040388880	524624077	/nfs/dbraw/zinc/62/40/77/524624077.db2.gz	YJBZJDFIHHFIGG-OLZOCXBDSA-N	-1	3	411.462	2.079	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)c(Cl)c2)cc1	ZINC000408582922	557486447	/nfs/dbraw/zinc/48/64/47/557486447.db2.gz	FZXIPYWCJYTKJG-UHFFFAOYSA-N	-1	3	412.895	2.327	40	0		HEABHM
C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCn1ccnc1	ZINC000408591117	557503145	/nfs/dbraw/zinc/50/31/45/557503145.db2.gz	IWCKHRVIQOWRLS-NSHDSACASA-N	-1	3	405.307	2.063	40	0		HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc2)CC1	ZINC000035240147	557639371	/nfs/dbraw/zinc/63/93/71/557639371.db2.gz	FDOWZSBIESHLKE-UHFFFAOYSA-N	-1	3	417.531	2.339	40	0		HEABHM
CCN1CCC[C@H]1CNC(=O)c1c([O-])c(I)ccc1OC	ZINC000022061339	558460791	/nfs/dbraw/zinc/46/07/91/558460791.db2.gz	CANPFCFJURGKAX-JTQLQIEISA-N	-1	3	404.248	2.220	40	0	in-man	HEABHM
COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022610002	558501393	/nfs/dbraw/zinc/50/13/93/558501393.db2.gz	LNHYWPCTHSWOKX-CYBMUJFWSA-N	-1	3	411.462	2.142	40	0		HEABHM
O=C(NCCN1CCOCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)c(Cl)c1	ZINC000030751525	558736145	/nfs/dbraw/zinc/73/61/45/558736145.db2.gz	YBRBDJFMTJXSNO-UHFFFAOYSA-N	-1	3	423.922	2.203	40	0		HEABHM
COc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2	ZINC000019018968	558837283	/nfs/dbraw/zinc/83/72/83/558837283.db2.gz	GJWMRKSVQKUYJW-LJQANCHMSA-N	-1	3	424.501	2.392	40	0		HEABHM
COc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(C)=O)C2	ZINC000019018971	558837477	/nfs/dbraw/zinc/83/74/77/558837477.db2.gz	GJWMRKSVQKUYJW-IBGZPJMESA-N	-1	3	424.501	2.392	40	0		HEABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(c3ccc(C)cc3)CCOCC2)s1	ZINC000019208769	558847648	/nfs/dbraw/zinc/84/76/48/558847648.db2.gz	RJKBCJNYZOUYNA-UHFFFAOYSA-N	-1	3	409.533	2.437	40	0		HEABHM
O=C(c1ccc(F)cc1)N1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[n-]c(=O)c2C1	ZINC000019332069	558868785	/nfs/dbraw/zinc/86/87/85/558868785.db2.gz	VAWHFXHKABBRCZ-GOSISDBHSA-N	-1	3	410.449	2.181	40	0		HEABHM
O=C(c1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019342680	558872121	/nfs/dbraw/zinc/87/21/21/558872121.db2.gz	OLSCHMMMFBYIEQ-MRXNPFEDSA-N	-1	3	412.515	2.494	40	0		HEABHM
O=C(Cc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1	ZINC000019370106	558878103	/nfs/dbraw/zinc/87/81/03/558878103.db2.gz	RSGOJAAHKWWCJM-SFHVURJKSA-N	-1	3	420.513	2.013	40	0		HEABHM
CC(C)N1CCc2c(=O)[n-]c([C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1	ZINC000019448427	558887295	/nfs/dbraw/zinc/88/72/95/558887295.db2.gz	ZATVJMHFWNYZKA-GOSISDBHSA-N	-1	3	420.510	2.201	40	0		HEABHM
C[C@H](C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1)c1ccccc1	ZINC000019459016	558892903	/nfs/dbraw/zinc/89/29/03/558892903.db2.gz	BZFKXNNQOZKOFD-YJBOKZPZSA-N	-1	3	420.513	2.184	40	0		HEABHM
C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019463393	558894388	/nfs/dbraw/zinc/89/43/88/558894388.db2.gz	GQEJABFVPSXWEN-XFQXTVEOSA-N	-1	3	407.518	2.433	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccs3)[n-]c2=O)C1	ZINC000019499139	558897251	/nfs/dbraw/zinc/89/72/51/558897251.db2.gz	KINDGWCIDLBTBN-HNNXBMFYSA-N	-1	3	400.504	2.494	40	0		HEABHM
COc1ccccc1C(=O)N1CC[C@@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1	ZINC000019568609	558927676	/nfs/dbraw/zinc/92/76/76/558927676.db2.gz	WUXGCSMQWNZAOQ-CQSZACIVSA-N	-1	3	406.442	2.479	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000040388882	558947511	/nfs/dbraw/zinc/94/75/11/558947511.db2.gz	YJBZJDFIHHFIGG-STQMWFEESA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1nn(Cc2cc(=O)[n-]c(N[C@@H](C)c3cccnc3)n2)c(=O)c2ccccc21	ZINC000019717469	558980044	/nfs/dbraw/zinc/98/00/44/558980044.db2.gz	JSYXBGGDRNJISY-ZDUSSCGKSA-N	-1	3	404.430	2.105	40	0		HEABHM
CN(Cc1ccccn1)C(=O)C[C@@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000585095761	559023372	/nfs/dbraw/zinc/02/33/72/559023372.db2.gz	IUKZPAUUYKJEMS-LJQANCHMSA-N	-1	3	405.458	2.230	40	0		HEABHM
CCN1CCN(C(=S)c2cc(I)c([O-])c(OC)c2)CC1	ZINC000006953487	559229391	/nfs/dbraw/zinc/22/93/91/559229391.db2.gz	XFGSENYGJFWJPK-UHFFFAOYSA-N	-1	3	406.289	2.318	40	0		HEABHM
CCn1c2cc(Cl)c(S(=O)(=O)[N-]Cc3ccc4c(c3)OCO4)cc2oc1=O	ZINC000223365785	568546514	/nfs/dbraw/zinc/54/65/14/568546514.db2.gz	VYIRKBPCPWVKEY-UHFFFAOYSA-N	-1	3	410.835	2.475	40	0		HEABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccccc3C)no2)cc1	ZINC000223637361	568554332	/nfs/dbraw/zinc/55/43/32/568554332.db2.gz	MGTJWUCYZNOMDV-UHFFFAOYSA-N	-1	3	401.444	2.451	40	0		HEABHM
COc1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000225292565	568628165	/nfs/dbraw/zinc/62/81/65/568628165.db2.gz	CZGGZIIEWGEJLA-UHFFFAOYSA-N	-1	3	404.473	2.278	40	0		HEABHM
COc1ccc2c(c1)OC(C)(C)C[C@@H]2[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225339502	568630381	/nfs/dbraw/zinc/63/03/81/568630381.db2.gz	GFUPRNNFYNZOLX-LBPRGKRZSA-N	-1	3	412.493	2.086	40	0		HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)cc1	ZINC000225963948	568689309	/nfs/dbraw/zinc/68/93/09/568689309.db2.gz	GAGOETAVEPKDGM-KRWDZBQOSA-N	-1	3	404.444	2.029	40	0		HEABHM
O=C(COC(=O)[C@@H]1CC(=O)N([N-]C(=O)c2ccccc2Cl)C1)Nc1ccccc1	ZINC000008038165	569338972	/nfs/dbraw/zinc/33/89/72/569338972.db2.gz	HQLKZTGIPYHJCY-CYBMUJFWSA-N	-1	3	415.833	2.015	40	0		HEABHM
CCOc1cc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)ccc1O	ZINC000012184609	132356193	/nfs/dbraw/zinc/35/61/93/132356193.db2.gz	HWZHXFBQSUHBAY-GASCZTMLSA-N	-1	3	414.506	2.046	40	0		HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)CC1	ZINC000408533961	557319316	/nfs/dbraw/zinc/31/93/16/557319316.db2.gz	RNTHQPAXCVGWLX-UHFFFAOYSA-N	-1	3	421.494	2.169	40	0		HEABHM
COCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl	ZINC000408588313	557492117	/nfs/dbraw/zinc/49/21/17/557492117.db2.gz	FODFOQDBOZENOG-UHFFFAOYSA-N	-1	3	416.858	2.421	40	0		HEABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1	ZINC000408625724	557558114	/nfs/dbraw/zinc/55/81/14/557558114.db2.gz	VZPZUEUDTCPTAV-INIZCTEOSA-N	-1	3	417.487	2.219	40	0		HEABHM
O=CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)CC1	ZINC000020491291	558377968	/nfs/dbraw/zinc/37/79/68/558377968.db2.gz	HNTVDECILXDEBJ-UHFFFAOYSA-N	-1	3	407.879	2.055	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H](C)Oc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019210877	558848315	/nfs/dbraw/zinc/84/83/15/558848315.db2.gz	MMOXUEXSYGXIQB-YWZLYKJASA-N	-1	3	424.501	2.114	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3cccc(C)c3)[n-]c2=O)C1	ZINC000019234755	558853983	/nfs/dbraw/zinc/85/39/83/558853983.db2.gz	WQXSGLGSIVWATD-FQEVSTJZSA-N	-1	3	408.502	2.279	40	0		HEABHM
Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCCc4cnccn4)n3)CC2=O)c1C	ZINC000019235584	558854722	/nfs/dbraw/zinc/85/47/22/558854722.db2.gz	KQEPDDQDNRAUBL-INIZCTEOSA-N	-1	3	404.474	2.352	40	0		HEABHM
CCC(CC)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019500173	558898352	/nfs/dbraw/zinc/89/83/52/558898352.db2.gz	BTGCFEINZBXHKC-IBGZPJMESA-N	-1	3	423.517	2.463	40	0		HEABHM
CN(C)CC(=O)N1CCc2nc([C@H]3CCCN3Cc3cccs3)[n-]c(=O)c2C1	ZINC000019581795	558937116	/nfs/dbraw/zinc/93/71/16/558937116.db2.gz	KUACYYWDXIITFM-QGZVFWFLSA-N	-1	3	401.536	2.027	40	0		HEABHM
COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(N(C)CCc3ccccn3)n2)CC1=O	ZINC000019586269	558939368	/nfs/dbraw/zinc/93/93/68/558939368.db2.gz	COWNMECCKKHGBE-MRXNPFEDSA-N	-1	3	419.485	2.373	40	0		HEABHM
COCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019593167	558944027	/nfs/dbraw/zinc/94/40/27/558944027.db2.gz	MFBKLTCZPKXNSH-IBGZPJMESA-N	-1	3	411.506	2.226	40	0		HEABHM
CC(=O)Oc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347310	558944091	/nfs/dbraw/zinc/94/40/91/558944091.db2.gz	MBAIQLJQYZEILF-HUUCEWRRSA-N	-1	3	412.490	2.279	40	0		HEABHM
COCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019593166	558944112	/nfs/dbraw/zinc/94/41/12/558944112.db2.gz	MFBKLTCZPKXNSH-LJQANCHMSA-N	-1	3	411.506	2.226	40	0		HEABHM
CC(=O)Oc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347309	558944254	/nfs/dbraw/zinc/94/42/54/558944254.db2.gz	MBAIQLJQYZEILF-GJZGRUSLSA-N	-1	3	412.490	2.279	40	0		HEABHM
Cc1c(C)c(N)c(CN2CC[C@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl	ZINC000072394678	558973607	/nfs/dbraw/zinc/97/36/07/558973607.db2.gz	OXXQRBSRNQHAEN-HNNXBMFYSA-N	-1	3	417.941	2.448	40	0		HEABHM
Cc1c(C)c(N)c(CN2CC[C@@H](c3cc(=O)[n-]c(N4CCOCC4)n3)C2)cc1Cl	ZINC000072394679	558973617	/nfs/dbraw/zinc/97/36/17/558973617.db2.gz	OXXQRBSRNQHAEN-OAHLLOKOSA-N	-1	3	417.941	2.448	40	0		HEABHM
CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)cc1	ZINC000019716260	558977933	/nfs/dbraw/zinc/97/79/33/558977933.db2.gz	IPTMCPHCKSTBKN-KRWDZBQOSA-N	-1	3	408.458	2.306	40	0		HEABHM
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1	ZINC000260707958	568736306	/nfs/dbraw/zinc/73/63/06/568736306.db2.gz	CRECDTHPXSKVOK-HNNXBMFYSA-N	-1	3	404.492	2.158	40	0		HEABHM
Cn1nc2c(c1C(=O)NCC[C@@]13CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O3)CCCC2	ZINC000257263598	568793816	/nfs/dbraw/zinc/79/38/16/568793816.db2.gz	LQRXHITWNSXCDI-ASSNKEHSSA-N	-1	3	413.478	2.109	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)cc1	ZINC000005985520	569329191	/nfs/dbraw/zinc/32/91/91/569329191.db2.gz	WQKJLBSLXSYHLN-SFHVURJKSA-N	-1	3	420.487	2.170	40	0		HEABHM
CCOCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000108053786	569353371	/nfs/dbraw/zinc/35/33/71/569353371.db2.gz	QKWYAEFSCNMDPP-UHFFFAOYSA-N	-1	3	422.503	2.418	40	0		HEABHM
C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)N1CCOCC1	ZINC000408609420	557532704	/nfs/dbraw/zinc/53/27/04/557532704.db2.gz	SVHNLBZOIWKRPE-CQSZACIVSA-N	-1	3	408.451	2.253	40	0		HEABHM
C/C(=C\Cc1c([O-])c(C)c2c(c1O)C(=O)OC2)CCC(=O)OCCN1CCOCC1	ZINC000022056333	558460048	/nfs/dbraw/zinc/46/00/48/558460048.db2.gz	QGQXAMBOYWULFX-LZWSPWQCSA-N	-1	3	419.474	2.221	40	0	in-vitro	HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2)CC1	ZINC000016681500	558799227	/nfs/dbraw/zinc/79/92/27/558799227.db2.gz	BCUJMOUPJDFAKJ-UHFFFAOYSA-N	-1	3	417.531	2.339	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1	ZINC000019018985	558837453	/nfs/dbraw/zinc/83/74/53/558837453.db2.gz	DLIJMHAKCCLNDH-KRWDZBQOSA-N	-1	3	424.457	2.183	40	0		HEABHM
Cc1cccc(N2C[C@@H](c3cc(=O)[n-]c(NCCCN4CCCC4=O)n3)CC2=O)c1C	ZINC000019235573	558854678	/nfs/dbraw/zinc/85/46/78/558854678.db2.gz	BQOYYTXHRMBGNJ-KRWDZBQOSA-N	-1	3	423.517	2.332	40	0		HEABHM
O=C(c1ccccc1F)N1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CCC4)C3)nc2C1	ZINC000019347650	558874060	/nfs/dbraw/zinc/87/40/60/558874060.db2.gz	UEDFAHONFDLBES-OAHLLOKOSA-N	-1	3	424.476	2.224	40	0		HEABHM
O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019370209	558878433	/nfs/dbraw/zinc/87/84/33/558878433.db2.gz	WTPJLTJVCXUJIZ-FQEVSTJZSA-N	-1	3	420.513	2.361	40	0		HEABHM
O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019370211	558878441	/nfs/dbraw/zinc/87/84/41/558878441.db2.gz	WTPJLTJVCXUJIZ-HXUWFJFHSA-N	-1	3	420.513	2.361	40	0		HEABHM
CC(C)[C@@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445527	558885542	/nfs/dbraw/zinc/88/55/42/558885542.db2.gz	UOULZHLEOCKYHC-OAQYLSRUSA-N	-1	3	420.517	2.197	40	0		HEABHM
CC(C)N1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[n-]c(=O)c2C1	ZINC000019448267	558887065	/nfs/dbraw/zinc/88/70/65/558887065.db2.gz	DCSGIIBQZBOWIM-GOSISDBHSA-N	-1	3	424.501	2.171	40	0		HEABHM
COc1cc(CC(=O)N2CCC[C@H]2c2nc(C)c(C)c(=O)[n-]2)cc(OC)c1OC	ZINC000019555449	558918348	/nfs/dbraw/zinc/91/83/48/558918348.db2.gz	NZXLLXPRDLQUGP-HNNXBMFYSA-N	-1	3	401.463	2.319	40	0		HEABHM
COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC	ZINC000019560339	558921363	/nfs/dbraw/zinc/92/13/63/558921363.db2.gz	QSXHZTCTZQYPMR-KRWDZBQOSA-N	-1	3	420.469	2.408	40	0		HEABHM
COc1cccc(CC(=O)N2CC[C@@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)c1	ZINC000019564067	558924128	/nfs/dbraw/zinc/92/41/28/558924128.db2.gz	ILLGMFAUCKZKFG-MRXNPFEDSA-N	-1	3	420.469	2.408	40	0		HEABHM
Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019571496	558930144	/nfs/dbraw/zinc/93/01/44/558930144.db2.gz	YLYKCRADENCSDZ-AWEZNQCLSA-N	-1	3	414.462	2.458	40	0		HEABHM
COc1cccc(NC(=O)CN2CCC(Nc3nc4c(c(=O)[n-]3)CCCC4)CC2)c1	ZINC000072341827	558940011	/nfs/dbraw/zinc/94/00/11/558940011.db2.gz	ZJTYVJZMELLRTA-UHFFFAOYSA-N	-1	3	411.506	2.172	40	0		HEABHM
CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(=O)[n-]c(=O)n3C)cc1	ZINC000019716261	558977965	/nfs/dbraw/zinc/97/79/65/558977965.db2.gz	IPTMCPHCKSTBKN-QGZVFWFLSA-N	-1	3	408.458	2.306	40	0		HEABHM
COc1nn(Cc2cc(=O)[n-]c(NCc3cccc(F)c3)n2)c(=O)c2ccccc21	ZINC000019717572	558980296	/nfs/dbraw/zinc/98/02/96/558980296.db2.gz	STXXGVXXJCXQOA-UHFFFAOYSA-N	-1	3	407.405	2.288	40	0		HEABHM
CN(Cc1ccccn1)C(=O)C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21	ZINC000585095760	559023320	/nfs/dbraw/zinc/02/33/20/559023320.db2.gz	IUKZPAUUYKJEMS-IBGZPJMESA-N	-1	3	405.458	2.230	40	0		HEABHM
CC(=O)Nc1ccc(OS(=O)(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c2ccccc12	ZINC000226859994	559274101	/nfs/dbraw/zinc/27/41/01/559274101.db2.gz	YSFKNXQLJRTHFV-UHFFFAOYSA-N	-1	3	410.407	2.450	40	0		HEABHM
O=C([N-]c1nnc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1Cl	ZINC000224523581	568583601	/nfs/dbraw/zinc/58/36/01/568583601.db2.gz	YUDVVCUDGRDJTE-UHFFFAOYSA-N	-1	3	423.303	2.118	40	0		HEABHM
CCOC(=O)CC[C@@]12CN(C(=O)OC(C)(C)C)CC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2	ZINC000257240161	568787542	/nfs/dbraw/zinc/78/75/42/568787542.db2.gz	HSHVSWNOGWAVSD-NSPYISDASA-N	-1	3	409.439	2.087	40	0		HEABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H]3CS(=O)(=O)C[C@@H]3O)cc2)cc1	ZINC000575421513	569025687	/nfs/dbraw/zinc/02/56/87/569025687.db2.gz	IURXTLLSSMKAEV-MOPGFXCFSA-N	-1	3	424.544	2.181	40	0		HEABHM
O=S(=O)([N-]Cc1nccc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1	ZINC000224173834	569053456	/nfs/dbraw/zinc/05/34/56/569053456.db2.gz	SRKWGPPYUBZAAZ-UHFFFAOYSA-N	-1	3	403.291	2.099	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C\C[C@H](O)[C@H](O)[C@@](N)(CO)C(=O)[O-]	ZINC000005189601	569060912	/nfs/dbraw/zinc/06/09/12/569060912.db2.gz	ZZIKIHCNFWXKDY-IMAHFNKPSA-N	-1	3	401.544	2.309	40	0	biogenic	HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2C)CC1	ZINC000007361817	569337433	/nfs/dbraw/zinc/33/74/33/569337433.db2.gz	UOYYWFTVJPICSM-UHFFFAOYSA-N	-1	3	417.531	2.339	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000408605158	557517459	/nfs/dbraw/zinc/51/74/59/557517459.db2.gz	MTJJEAKNLYRZRH-HNNXBMFYSA-N	-1	3	420.487	2.122	40	0		HEABHM
COC(=O)/C=C/c1cc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)ccc1OC	ZINC000030952748	558746746	/nfs/dbraw/zinc/74/67/46/558746746.db2.gz	BSMMXIJZDFDZLG-FPYGCLRLSA-N	-1	3	418.427	2.013	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3cccs3)[n-]c2=O)C1	ZINC000019018976	558837449	/nfs/dbraw/zinc/83/74/49/558837449.db2.gz	FHDXDTBWXQFZIV-QGZVFWFLSA-N	-1	3	400.504	2.445	40	0		HEABHM
CC(=O)Nc1ncc(S(=O)(=O)[N-]CC2(c3cccc(C)c3)CCOCC2)s1	ZINC000019234566	558853902	/nfs/dbraw/zinc/85/39/02/558853902.db2.gz	DDIFMBCMLMDLBW-UHFFFAOYSA-N	-1	3	409.533	2.437	40	0		HEABHM
O=C(C[C@H]1C=CCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339491	558871099	/nfs/dbraw/zinc/87/10/99/558871099.db2.gz	XNSGMZKYRQOUHV-PKOBYXMFSA-N	-1	3	419.529	2.395	40	0		HEABHM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000019342733	558872156	/nfs/dbraw/zinc/87/21/56/558872156.db2.gz	KUYMUOYDOKAGOF-CQSZACIVSA-N	-1	3	412.515	2.146	40	0		HEABHM
O=C(c1cccs1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CC3)nc2C1	ZINC000019342836	558872289	/nfs/dbraw/zinc/87/22/89/558872289.db2.gz	RWEAGYZRKCFNKP-INIZCTEOSA-N	-1	3	412.515	2.494	40	0		HEABHM
O=C(c1cc[nH]n1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019343642	558872479	/nfs/dbraw/zinc/87/24/79/558872479.db2.gz	KWZJPSVQCFBEQQ-AWEZNQCLSA-N	-1	3	424.530	2.133	40	0		HEABHM
O=C(c1ccn[nH]1)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019343642	558872480	/nfs/dbraw/zinc/87/24/80/558872480.db2.gz	KWZJPSVQCFBEQQ-AWEZNQCLSA-N	-1	3	424.530	2.133	40	0		HEABHM
O=C(CCn1cccn1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019406085	558885084	/nfs/dbraw/zinc/88/50/84/558885084.db2.gz	AZJGONYILZASJX-KRWDZBQOSA-N	-1	3	424.549	2.063	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)C5CC5)C4)nc3C2)cc1	ZINC000019555609	558918527	/nfs/dbraw/zinc/91/85/27/558918527.db2.gz	HTYNNVUJKHUTTK-KRWDZBQOSA-N	-1	3	408.502	2.475	40	0		HEABHM
COc1cccc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)c1	ZINC000019564245	558924253	/nfs/dbraw/zinc/92/42/53/558924253.db2.gz	RADFIRKSZVTACH-OAHLLOKOSA-N	-1	3	406.442	2.479	40	0		HEABHM
COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(NCCc3ccncc3)n2)CC1=O	ZINC000019571097	558929929	/nfs/dbraw/zinc/92/99/29/558929929.db2.gz	MIAHKZHQNXVARO-INIZCTEOSA-N	-1	3	405.458	2.349	40	0		HEABHM
CNS(=O)(=O)c1ccc(F)c(C(=O)[N-]c2ccc(N3CCCC3)c3nonc32)c1	ZINC000019655964	558949051	/nfs/dbraw/zinc/94/90/51/558949051.db2.gz	DFVOQLDVKZLQLG-UHFFFAOYSA-N	-1	3	419.438	2.123	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@@H]4C)C3)[n-]c(=O)c2C1	ZINC000072399139	558976855	/nfs/dbraw/zinc/97/68/55/558976855.db2.gz	UBJARVAUGANOPS-SZMVWBNQSA-N	-1	3	422.529	2.309	40	0		HEABHM
COc1ccc2c(c1)CCC[C@H]2[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223309396	568544779	/nfs/dbraw/zinc/54/47/79/568544779.db2.gz	GOQKAXQKILUDQD-CQSZACIVSA-N	-1	3	410.521	2.497	40	0		HEABHM
COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1	ZINC000223839638	568560466	/nfs/dbraw/zinc/56/04/66/568560466.db2.gz	VNKKIIKLPLEQGV-UHFFFAOYSA-N	-1	3	403.504	2.334	40	0		HEABHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCOCC4)cc3)cc2sc1=O	ZINC000225018752	568609473	/nfs/dbraw/zinc/60/94/73/568609473.db2.gz	VODIHRQIXPMUSZ-UHFFFAOYSA-N	-1	3	405.501	2.237	40	0		HEABHM
COc1ccc2c(c1)[C@@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)CC(C)(C)O2	ZINC000225358828	568631434	/nfs/dbraw/zinc/63/14/34/568631434.db2.gz	ASHYCCYRAAKNNZ-LBPRGKRZSA-N	-1	3	412.493	2.086	40	0		HEABHM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCCN3CCCCC3)s2)cc1	ZINC000225436635	568637851	/nfs/dbraw/zinc/63/78/51/568637851.db2.gz	JRBMZFNZAPTFRF-UHFFFAOYSA-N	-1	3	423.564	2.253	40	0		HEABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCc2ccncc2)[C@@H]1O	ZINC000257278553	568798069	/nfs/dbraw/zinc/79/80/69/568798069.db2.gz	OCRPLNFOOONDDG-MIULDMEKSA-N	-1	3	410.470	2.309	40	0		HEABHM
O=C([O-])COc1cccc(CN2CC[C@@]3(C2)COCc2cnc(NC4CC4)nc23)c1	ZINC000306129447	568892126	/nfs/dbraw/zinc/89/21/26/568892126.db2.gz	IDPHDPNUMYPJBY-JOCHJYFZSA-N	-1	3	410.474	2.188	40	0		HEABHM
Cc1ncsc1C(=O)N[C@H]1CCCC[C@]12CN(Cc1ncccc1[O-])CCO2	ZINC000306142547	568904246	/nfs/dbraw/zinc/90/42/46/568904246.db2.gz	XCQAWEIMGDWUOX-PXNSSMCTSA-N	-1	3	402.520	2.496	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@H]3C)[n-]c(=O)c21	ZINC000139102418	569354352	/nfs/dbraw/zinc/35/43/52/569354352.db2.gz	VHSPQNJRNIOPLK-CHWSQXEVSA-N	-1	3	411.462	2.222	40	0		HEABHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)c3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000012481053	291202685	/nfs/dbraw/zinc/20/26/85/291202685.db2.gz	SSOHWAQULWRWEK-SFTDATJTSA-N	-1	3	415.534	2.184	40	0	biogenic,in-vitro	HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N[C@H](C)COC)cc2)cc1	ZINC000408591532	557503681	/nfs/dbraw/zinc/50/36/81/557503681.db2.gz	JLZORTQIDRKMJL-OAHLLOKOSA-N	-1	3	422.503	2.416	40	0		HEABHM
COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccc(OC)cc1)C3	ZINC000019821203	558290557	/nfs/dbraw/zinc/29/05/57/558290557.db2.gz	JHKAPBFSVHNXPM-AWEZNQCLSA-N	-1	3	409.442	2.043	40	0		HEABHM
Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)cc2n1	ZINC000019116634	558842084	/nfs/dbraw/zinc/84/20/84/558842084.db2.gz	UAZSQMAXACOQKJ-UHFFFAOYSA-N	-1	3	406.368	2.102	40	0		HEABHM
Cn1nc(C(=O)N2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1C(F)(F)F	ZINC000019288730	558861586	/nfs/dbraw/zinc/86/15/86/558861586.db2.gz	REYYXDKXDAFJAM-GFCCVEGCSA-N	-1	3	418.379	2.214	40	0		HEABHM
O=C(c1cc[nH]n1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019343639	558872466	/nfs/dbraw/zinc/87/24/66/558872466.db2.gz	KWZJPSVQCFBEQQ-CQSZACIVSA-N	-1	3	424.530	2.133	40	0		HEABHM
O=C(c1ccn[nH]1)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019343639	558872467	/nfs/dbraw/zinc/87/24/67/558872467.db2.gz	KWZJPSVQCFBEQQ-CQSZACIVSA-N	-1	3	424.530	2.133	40	0		HEABHM
CC(C)N1CCc2c(=O)[n-]c([C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2C1	ZINC000019448425	558887455	/nfs/dbraw/zinc/88/74/55/558887455.db2.gz	ZATVJMHFWNYZKA-SFHVURJKSA-N	-1	3	420.510	2.201	40	0		HEABHM
C[C@@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1)c1ccccc1	ZINC000019459010	558892826	/nfs/dbraw/zinc/89/28/26/558892826.db2.gz	BZFKXNNQOZKOFD-CRAIPNDOSA-N	-1	3	420.513	2.184	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccc(OC)c3)[n-]c2=O)C1	ZINC000019499133	558897358	/nfs/dbraw/zinc/89/73/58/558897358.db2.gz	HHNBCWOCRIBHMR-IBGZPJMESA-N	-1	3	424.501	2.441	40	0		HEABHM
CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)CCS(=O)(=O)c2ccc(C)cc2)n1	ZINC000019522526	558903700	/nfs/dbraw/zinc/90/37/00/558903700.db2.gz	CNEJQGXITQIFSN-KRWDZBQOSA-N	-1	3	403.504	2.168	40	0		HEABHM
CCc1ccccc1Nc1noc2c1CN(C(=O)CC[C@]1(C)NC(=O)[N-]C1=O)CC2	ZINC000019523049	558904077	/nfs/dbraw/zinc/90/40/77/558904077.db2.gz	MXQKIVZUDRNDPL-NRFANRHFSA-N	-1	3	411.462	2.244	40	0		HEABHM
COc1cc(CCC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)on1	ZINC000019550414	558914851	/nfs/dbraw/zinc/91/48/51/558914851.db2.gz	TUSSKNUKLCKMPN-UHFFFAOYSA-N	-1	3	415.475	2.229	40	0		HEABHM
Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccccn3)cc(=O)[n-]2)C1	ZINC000019571493	558930126	/nfs/dbraw/zinc/93/01/26/558930126.db2.gz	YLYKCRADENCSDZ-CQSZACIVSA-N	-1	3	414.462	2.458	40	0		HEABHM
CN(C)c1ncc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[n-]3)C2)cn1	ZINC000019585426	558939088	/nfs/dbraw/zinc/93/90/88/558939088.db2.gz	YMXPWJPBXOZRLV-CYBMUJFWSA-N	-1	3	410.503	2.374	40	0		HEABHM
Cc1cc(=O)[n-]c(NC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)n1	ZINC000072341844	558940050	/nfs/dbraw/zinc/94/00/50/558940050.db2.gz	FFIPYWMOBJNIGI-UHFFFAOYSA-N	-1	3	416.425	2.362	40	0		HEABHM
CN1CCc2nc([C@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1	ZINC000019590246	558940907	/nfs/dbraw/zinc/94/09/07/558940907.db2.gz	GSQZYCWWFSZOBN-AWEZNQCLSA-N	-1	3	400.454	2.094	40	0		HEABHM
CC(=O)Oc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347308	558944212	/nfs/dbraw/zinc/94/42/12/558944212.db2.gz	MBAIQLJQYZEILF-GASCZTMLSA-N	-1	3	412.490	2.279	40	0		HEABHM
CCc1cc(C(=O)NCC2(c3ccccc3Cl)CC2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714551	558974535	/nfs/dbraw/zinc/97/45/35/558974535.db2.gz	FAIPLJHDGHKJHT-UHFFFAOYSA-N	-1	3	412.877	2.299	40	0		HEABHM
O=C(C1CC1)N1CCC[C@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)C1	ZINC000005763029	560627550	/nfs/dbraw/zinc/62/75/50/560627550.db2.gz	DJNKVBKQGVJXQV-AWEZNQCLSA-N	-1	3	412.881	2.332	40	0		HEABHM
CC[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000225275597	568627343	/nfs/dbraw/zinc/62/73/43/568627343.db2.gz	KIMZPYCNAWPQST-CYBMUJFWSA-N	-1	3	403.574	2.066	40	0		HEABHM
Cc1nc(C)c(CC(=O)N2CCO[C@H](c3cccc(Nc4ccccn4)n3)C2)c(=O)[n-]1	ZINC000257205455	568777790	/nfs/dbraw/zinc/77/77/90/568777790.db2.gz	AZDGSRURUGOZRJ-SFHVURJKSA-N	-1	3	420.473	2.475	40	0		HEABHM
COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1	ZINC000010359988	569344107	/nfs/dbraw/zinc/34/41/07/569344107.db2.gz	ZATVWJXFUIHYHE-UHFFFAOYSA-N	-1	3	419.503	2.385	40	0		HEABHM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)NC(C)C	ZINC000026112281	569349928	/nfs/dbraw/zinc/34/99/28/569349928.db2.gz	OMDWDFFENRYSCY-UHFFFAOYSA-N	-1	3	406.460	2.405	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1	ZINC000139089525	569354325	/nfs/dbraw/zinc/35/43/25/569354325.db2.gz	KCEQKQMJBKZOIP-IUODEOHRSA-N	-1	3	411.462	2.222	40	0		HEABHM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)C(=O)N1CCOCC1	ZINC000408609418	557532645	/nfs/dbraw/zinc/53/26/45/557532645.db2.gz	SVHNLBZOIWKRPE-AWEZNQCLSA-N	-1	3	408.451	2.253	40	0		HEABHM
Cn1c2ccc(S(=O)(=O)[N-]c3ccccc3OCCN3CCCC3)cc2oc1=O	ZINC000012117124	558328737	/nfs/dbraw/zinc/32/87/37/558328737.db2.gz	AKMIANGQXCMFLO-UHFFFAOYSA-N	-1	3	417.487	2.407	40	0		HEABHM
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2)CC1	ZINC000016681501	558799234	/nfs/dbraw/zinc/79/92/34/558799234.db2.gz	VFNFGTPNDRWMKD-UHFFFAOYSA-N	-1	3	403.504	2.030	40	0		HEABHM
O=C(c1ccncc1)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019339385	558871140	/nfs/dbraw/zinc/87/11/40/558871140.db2.gz	QRNKPKYPKPAMDW-HXUWFJFHSA-N	-1	3	416.485	2.096	40	0		HEABHM
CC[C@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019499841	558897747	/nfs/dbraw/zinc/89/77/47/558897747.db2.gz	QXEMMDXSFQIDEN-KBXCAEBGSA-N	-1	3	409.490	2.073	40	0		HEABHM
COC(=O)Cn1cc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)c2ccccc21	ZINC000072335546	558936742	/nfs/dbraw/zinc/93/67/42/558936742.db2.gz	BRESHLRKLOVPFO-UHFFFAOYSA-N	-1	3	421.501	2.056	40	0		HEABHM
CN(CCc1ccccc1)c1nc([C@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[n-]1	ZINC000019586226	558939468	/nfs/dbraw/zinc/93/94/68/558939468.db2.gz	YWCQQOCBNUKJCC-SFHVURJKSA-N	-1	3	403.486	2.360	40	0		HEABHM
CN1CCc2nc([C@H]3CCCN(C(=O)COc4ccccc4F)C3)[n-]c(=O)c2C1	ZINC000019590248	558940899	/nfs/dbraw/zinc/94/08/99/558940899.db2.gz	MGZMAEHKRGKWEB-AWEZNQCLSA-N	-1	3	400.454	2.094	40	0		HEABHM
COCc1cc(=O)[n-]c([C@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1	ZINC000019594302	558945139	/nfs/dbraw/zinc/94/51/39/558945139.db2.gz	JYDDPNDWQPJCEJ-HNNXBMFYSA-N	-1	3	403.479	2.322	40	0		HEABHM
Cc1nc2[n-]cnn2c(=O)c1CC(=O)Nc1nc(-c2ccc3c(c2)CCCO3)cs1	ZINC000100770949	559140335	/nfs/dbraw/zinc/14/03/35/559140335.db2.gz	YTTMLLZEXSQDTH-UHFFFAOYSA-N	-1	3	422.470	2.356	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1	ZINC000139089658	559288412	/nfs/dbraw/zinc/28/84/12/559288412.db2.gz	KCEQKQMJBKZOIP-SWLSCSKDSA-N	-1	3	411.462	2.222	40	0		HEABHM
CC[C@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100778692	560726543	/nfs/dbraw/zinc/72/65/43/560726543.db2.gz	XDJRPBOTYGEWOQ-UVBQOVKKSA-N	-1	3	417.550	2.095	40	0		HEABHM
COc1ccc(OC)c([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000223291337	568544240	/nfs/dbraw/zinc/54/42/40/568544240.db2.gz	PWNWMPZBBWJPQC-SNVBAGLBSA-N	-1	3	414.509	2.189	40	0		HEABHM
COc1ccc(NC(=O)C2([N-]S(=O)(=O)Cc3ccc(Cl)cc3F)CC2)cn1	ZINC000225928636	568686647	/nfs/dbraw/zinc/68/66/47/568686647.db2.gz	ZOOGWIWAMNECTF-UHFFFAOYSA-N	-1	3	413.858	2.473	40	0		HEABHM
CC(=O)N1CCN([C@@H]2CCCC[C@@H](NC(=O)c3cc(C(C)C)ccc3[O-])[C@H]2O)CC1	ZINC000257263579	568793824	/nfs/dbraw/zinc/79/38/24/568793824.db2.gz	LQQKTIWITGLPNG-KCZVDYSFSA-N	-1	3	417.550	2.082	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)c(C)c2)cc1	ZINC000007362034	569337338	/nfs/dbraw/zinc/33/73/38/569337338.db2.gz	CGFKHSVENFBXOZ-UHFFFAOYSA-N	-1	3	422.503	2.072	40	0		HEABHM
Cn1c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)cc2n(C)c1=O	ZINC000044903382	527102785	/nfs/dbraw/zinc/10/27/85/527102785.db2.gz	APOXLTJRXUYDEN-UHFFFAOYSA-N	-1	3	408.867	2.154	40	0		HEABHM
CC1(c2cc(C(F)(F)F)n3nc(C(=O)N4CCc5c(=O)[n-]cnc5C4)cc3n2)CC1	ZINC000012143177	558335228	/nfs/dbraw/zinc/33/52/28/558335228.db2.gz	JJLPEGFZZBONKT-UHFFFAOYSA-N	-1	3	418.379	2.081	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610129	558501537	/nfs/dbraw/zinc/50/15/37/558501537.db2.gz	HEZJLYMLPBEIHX-OAHLLOKOSA-N	-1	3	411.462	2.079	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)cc1	ZINC000016293248	558784406	/nfs/dbraw/zinc/78/44/06/558784406.db2.gz	WTEVOJGGNSPMFP-INIZCTEOSA-N	-1	3	404.488	2.422	40	0		HEABHM
Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCCc4cnccn4)n3)CC2=O)c1C	ZINC000019235585	558854618	/nfs/dbraw/zinc/85/46/18/558854618.db2.gz	KQEPDDQDNRAUBL-MRXNPFEDSA-N	-1	3	404.474	2.352	40	0		HEABHM
Cc1cccc(Nc2noc3c2CN(C(=O)CC[C@@]2(C)NC(=O)[N-]C2=O)CC3)c1C	ZINC000019235654	558854816	/nfs/dbraw/zinc/85/48/16/558854816.db2.gz	PJECHTCIXAAKPU-OAQYLSRUSA-N	-1	3	411.462	2.298	40	0		HEABHM
Cc1cccc(CN2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CCC3)C4)C2)n1	ZINC000019236156	558855220	/nfs/dbraw/zinc/85/52/20/558855220.db2.gz	VUMHVLJIGXQOHZ-KRWDZBQOSA-N	-1	3	407.518	2.148	40	0		HEABHM
C[C@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497030	558895899	/nfs/dbraw/zinc/89/58/99/558895899.db2.gz	YMJYYZHFVKNYNF-HNNXBMFYSA-N	-1	3	410.522	2.047	40	0		HEABHM
COCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019592800	558943641	/nfs/dbraw/zinc/94/36/41/558943641.db2.gz	BEHGAKWERTVKKC-CQSZACIVSA-N	-1	3	402.520	2.154	40	0		HEABHM
CC[C@H](C)C(=O)N1CCC(c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccnc2)CC3)CC1	ZINC000072398918	558976638	/nfs/dbraw/zinc/97/66/38/558976638.db2.gz	CPESXGKJGNJFJT-HNNXBMFYSA-N	-1	3	423.517	2.116	40	0		HEABHM
CC(C)C(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C1CCOCC1)CC3	ZINC000100234195	559132737	/nfs/dbraw/zinc/13/27/37/559132737.db2.gz	VKXNSQVCAWYJFI-IBGZPJMESA-N	-1	3	413.522	2.292	40	0		HEABHM
Cc1ccc(Cn2nnc3c2nc(C2CCN(C(=O)C(F)(F)F)CC2)[n-]c3=O)cc1	ZINC000001324602	560573127	/nfs/dbraw/zinc/57/31/27/560573127.db2.gz	KLWKFRBLLLLBGB-UHFFFAOYSA-N	-1	3	420.395	2.140	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCOCC3)c2)cc1	ZINC000113939702	560806504	/nfs/dbraw/zinc/80/65/04/560806504.db2.gz	PVZWZQYQNOVKFJ-UHFFFAOYSA-N	-1	3	420.487	2.367	40	0		HEABHM
CCOc1ccc([C@@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1OCC	ZINC000223853013	568560939	/nfs/dbraw/zinc/56/09/39/568560939.db2.gz	YFVYJOIXGARISY-SNVBAGLBSA-N	-1	3	414.509	2.333	40	0		HEABHM
O=C([O-])c1ccc(=O)n([C@@H]2C[C@@H](Oc3cccc(F)c3)[C@H](O)[C@H]2N2CCCCC2)c1	ZINC000257324753	568811760	/nfs/dbraw/zinc/81/17/60/568811760.db2.gz	WQAAROQWQXJUGG-QCFAMHMHSA-N	-1	3	416.449	2.293	40	0		HEABHM
Cn1c2ccc(NC(=O)c3cc([N-]S(C)(=O)=O)ccc3Cl)cc2n(C)c1=O	ZINC000044845884	527102651	/nfs/dbraw/zinc/10/26/51/527102651.db2.gz	DXAFZWLJGBVJDP-UHFFFAOYSA-N	-1	3	408.867	2.154	40	0		HEABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl)NCCCO	ZINC000408560088	557457670	/nfs/dbraw/zinc/45/76/70/557457670.db2.gz	BUYRXAZATBRIRF-UHFFFAOYSA-N	-1	3	416.858	2.157	40	0		HEABHM
COCCCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccc(OC)cc1)C3	ZINC000019821201	558290574	/nfs/dbraw/zinc/29/05/74/558290574.db2.gz	JHKAPBFSVHNXPM-CQSZACIVSA-N	-1	3	409.442	2.043	40	0		HEABHM
CCn1cc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3cc(Cl)ccc3[O-])=C2)c(C)n1	ZINC000012155620	558340109	/nfs/dbraw/zinc/34/01/09/558340109.db2.gz	SAGUQSVJUUZBTR-UHFFFAOYSA-N	-1	3	423.882	2.072	40	0		HEABHM
COc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c1	ZINC000019018954	558837302	/nfs/dbraw/zinc/83/73/02/558837302.db2.gz	IDWBRTMNTCFYJQ-HXUWFJFHSA-N	-1	3	424.501	2.392	40	0		HEABHM
COc1ccc(CCC(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C(C)=O)C4)C2)cc1	ZINC000019019081	558837496	/nfs/dbraw/zinc/83/74/96/558837496.db2.gz	RAMZVFAPJJGPRL-KRWDZBQOSA-N	-1	3	424.501	2.044	40	0		HEABHM
Cc1nc(C[C@@H](NC(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(=O)[n-]1	ZINC000019285371	558859947	/nfs/dbraw/zinc/85/99/47/558859947.db2.gz	YBMDPEFOASHJBP-GOSISDBHSA-N	-1	3	406.421	2.062	40	0		HEABHM
O=C(NCc1cc(=O)[n-]c(N2CCOCC2)n1)c1cccc(-c2ccc(F)cc2)c1	ZINC000019293285	558864977	/nfs/dbraw/zinc/86/49/77/558864977.db2.gz	KOPARWIMKDRYRZ-UHFFFAOYSA-N	-1	3	408.433	2.343	40	0		HEABHM
O=C(c1cccs1)N1CCc2nc([C@@H]3CCCN3C3CCOCC3)[n-]c(=O)c2C1	ZINC000019342827	558872275	/nfs/dbraw/zinc/87/22/75/558872275.db2.gz	FDLWTHFDXGATGG-KRWDZBQOSA-N	-1	3	414.531	2.346	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c([C@H]4CCN(C(=O)[C@@H]5C[C@@H]5C)C4)nc3C2)cc1	ZINC000019462758	558894078	/nfs/dbraw/zinc/89/40/78/558894078.db2.gz	NXFGXNINQRZKCK-RIFZZMRRSA-N	-1	3	422.529	2.309	40	0		HEABHM
Cc1nn(CC(=O)N2CCC(c3nc(-c4nccs4)cc(=O)[n-]3)CC2)c(C)c1C	ZINC000019556410	558918944	/nfs/dbraw/zinc/91/89/44/558918944.db2.gz	ZPNSJSQGLSVJNW-UHFFFAOYSA-N	-1	3	412.519	2.421	40	0		HEABHM
COc1ccc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)cc1Cn1cccn1	ZINC000019559445	558920718	/nfs/dbraw/zinc/92/07/18/558920718.db2.gz	FBURIGVOTQLOTD-UHFFFAOYSA-N	-1	3	420.517	2.182	40	0		HEABHM
CC(=O)Nc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1	ZINC000072347266	558944066	/nfs/dbraw/zinc/94/40/66/558944066.db2.gz	FNYKUOLKYZUBGW-GASCZTMLSA-N	-1	3	411.506	2.313	40	0		HEABHM
COCCOc1ccc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc1	ZINC000019593734	558944946	/nfs/dbraw/zinc/94/49/46/558944946.db2.gz	OKINWRYFHPMTBL-UHFFFAOYSA-N	-1	3	406.486	2.458	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)cc1	ZINC000040389039	558948588	/nfs/dbraw/zinc/94/85/88/558948588.db2.gz	KCEQKQMJBKZOIP-DOMZBBRYSA-N	-1	3	411.462	2.222	40	0		HEABHM
Cc1ccnc(SCc2cc(=O)[n-]c(N3CCN(Cc4ccccc4)CC3)n2)n1	ZINC000013639800	560826225	/nfs/dbraw/zinc/82/62/25/560826225.db2.gz	LVBQHUTUNMAQLV-UHFFFAOYSA-N	-1	3	408.531	2.483	40	0		HEABHM
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc([O-])c(I)c1	ZINC000020609363	560885919	/nfs/dbraw/zinc/88/59/19/560885919.db2.gz	VXWOEJXEDNGAAD-GFCCVEGCSA-N	-1	3	418.256	2.353	40	0		HEABHM
Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)ccc1OCC(=O)N(C)C	ZINC000223246666	568542469	/nfs/dbraw/zinc/54/24/69/568542469.db2.gz	ZKXOUGTYOSOCIJ-UHFFFAOYSA-N	-1	3	406.460	2.034	40	0		HEABHM
COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)cc1OC	ZINC000225162408	568619351	/nfs/dbraw/zinc/61/93/51/568619351.db2.gz	JRFORDWPQRITJS-UHFFFAOYSA-N	-1	3	414.509	2.018	40	0		HEABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc4c(c3)CCN4S(C)(=O)=O)c2)n1	ZINC000226090495	568693579	/nfs/dbraw/zinc/69/35/79/568693579.db2.gz	JXIYMOMVLRGROF-UHFFFAOYSA-N	-1	3	424.482	2.320	40	0		HEABHM
CC(C)c1nnc(CCC(=O)NCC[C@@]23CCCC[C@@H]2c2c([nH]c(=O)[n-]c2=O)O3)o1	ZINC000257337288	568815178	/nfs/dbraw/zinc/81/51/78/568815178.db2.gz	YSEOKALDWXDXSO-ODXCJYRJSA-N	-1	3	417.466	2.322	40	0		HEABHM
O=S(=O)([N-]Cc1ccnc(N2CCOCC2)n1)c1cc(Cl)ccc1Cl	ZINC000224222224	569056486	/nfs/dbraw/zinc/05/64/86/569056486.db2.gz	ZQBVRRQLDCSGSO-UHFFFAOYSA-N	-1	3	403.291	2.099	40	0		HEABHM
COc1cccc(NC(=O)C([O-])=C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1	ZINC000001626544	557277204	/nfs/dbraw/zinc/27/72/04/557277204.db2.gz	DIYOZQSDQNTJCS-MRXNPFEDSA-N	-1	3	413.817	2.466	40	0		HEABHM
NC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)c(Cl)c2)CC1	ZINC000020492048	558378245	/nfs/dbraw/zinc/37/82/45/558378245.db2.gz	FDAZANJNNBNZNQ-UHFFFAOYSA-N	-1	3	421.906	2.478	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610179	558501697	/nfs/dbraw/zinc/50/16/97/558501697.db2.gz	WHOQGWYANJWOJD-HNNXBMFYSA-N	-1	3	411.462	2.079	40	0		HEABHM
Cc1cnc(C(=O)N2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cn1	ZINC000019238825	558857570	/nfs/dbraw/zinc/85/75/70/558857570.db2.gz	IBHKIOHXRJFDHT-MRXNPFEDSA-N	-1	3	422.533	2.189	40	0		HEABHM
O=C(Cc1ccccc1)N[C@@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccccc1	ZINC000019370333	558878395	/nfs/dbraw/zinc/87/83/95/558878395.db2.gz	CUFYNUZXIODLRU-NRFANRHFSA-N	-1	3	418.497	2.249	40	0		HEABHM
C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019463395	558894366	/nfs/dbraw/zinc/89/43/66/558894366.db2.gz	GQEJABFVPSXWEN-QKYXUNIQSA-N	-1	3	407.518	2.433	40	0		HEABHM
CC[C@@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019499842	558897873	/nfs/dbraw/zinc/89/78/73/558897873.db2.gz	QXEMMDXSFQIDEN-KDOFPFPSSA-N	-1	3	409.490	2.073	40	0		HEABHM
CCOc1cc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)ccc1OC	ZINC000019532111	558912450	/nfs/dbraw/zinc/91/24/50/558912450.db2.gz	KQBMZKSRNJHGBH-UHFFFAOYSA-N	-1	3	414.506	2.027	40	0		HEABHM
COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1OC	ZINC000019560336	558921327	/nfs/dbraw/zinc/92/13/27/558921327.db2.gz	QSXHZTCTZQYPMR-QGZVFWFLSA-N	-1	3	420.469	2.408	40	0		HEABHM
CCCn1c(CN2CCc3c(=O)[n-]c(N4CCOCC4)nc3C2)nc2ccccc21	ZINC000072335525	558936524	/nfs/dbraw/zinc/93/65/24/558936524.db2.gz	PEFQSPFGLMQKEB-UHFFFAOYSA-N	-1	3	408.506	2.337	40	0		HEABHM
C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@@H](C)CCC[C@@H]1C	ZINC000014185474	559155316	/nfs/dbraw/zinc/15/53/16/559155316.db2.gz	OANDLCWUFZXDSF-SOUVJXGZSA-N	-1	3	414.499	2.215	40	0		HEABHM
C[C@@H](OC(=O)CC[N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)CCC[C@H]1C	ZINC000014185471	559155362	/nfs/dbraw/zinc/15/53/62/559155362.db2.gz	OANDLCWUFZXDSF-RBSFLKMASA-N	-1	3	414.499	2.215	40	0		HEABHM
CCOc1cc(/C=C2\NC(=S)N(CC)C2=O)cc(I)c1[O-]	ZINC000409008431	560665817	/nfs/dbraw/zinc/66/58/17/560665817.db2.gz	YLEBFQATTNQTPH-POHAHGRESA-N	-1	3	418.256	2.473	40	0		HEABHM
COc1ccc(OC)c([C@H](C)[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000223291390	568544264	/nfs/dbraw/zinc/54/42/64/568544264.db2.gz	PWNWMPZBBWJPQC-JTQLQIEISA-N	-1	3	414.509	2.189	40	0		HEABHM
Cc1nc(C)c(CC(=O)N2CCO[C@@H](c3ccc(Nc4ccccn4)cn3)C2)c(=O)[n-]1	ZINC000257234899	568786164	/nfs/dbraw/zinc/78/61/64/568786164.db2.gz	GVNMJNBDPINBPG-LJQANCHMSA-N	-1	3	420.473	2.475	40	0		HEABHM
O=c1[n-]c(N2CCOCC2)nc2c1CCN(Cc1cccn1Cc1ccccc1F)C2	ZINC000012145294	132355190	/nfs/dbraw/zinc/35/51/90/132355190.db2.gz	ZULGGZDNTGANJO-UHFFFAOYSA-N	-1	3	423.492	2.154	40	0		HEABHM
CN1CCN(C(=O)COc2ccc(S(=O)(=O)[N-]c3ccccc3)cc2Cl)CC1	ZINC000408607945	557531455	/nfs/dbraw/zinc/53/14/55/557531455.db2.gz	RDLQFBAWNPMVEQ-UHFFFAOYSA-N	-1	3	423.922	2.294	40	0		HEABHM
COCCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C(C)C)CC3)n2)C1	ZINC000019085312	558841099	/nfs/dbraw/zinc/84/10/99/558841099.db2.gz	ZAWBSOYXPGAOKX-KRWDZBQOSA-N	-1	3	418.538	2.287	40	0		HEABHM
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)cc1	ZINC000019211451	558848479	/nfs/dbraw/zinc/84/84/79/558848479.db2.gz	PPKIQMYAGPDXKE-LJQANCHMSA-N	-1	3	416.547	2.371	40	0		HEABHM
Cc1ccccc1CN1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(S(C)(=O)=O)CC2	ZINC000019237214	558856520	/nfs/dbraw/zinc/85/65/20/558856520.db2.gz	CCMRLEBXTRGSJB-IBGZPJMESA-N	-1	3	416.547	2.123	40	0		HEABHM
CCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(C)cc2)CC3)C1	ZINC000019498756	558897054	/nfs/dbraw/zinc/89/70/54/558897054.db2.gz	APDHZPPOYSQAMR-KRWDZBQOSA-N	-1	3	408.502	2.393	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)COc3ccccc3)[n-]c2=O)C1	ZINC000019499110	558897291	/nfs/dbraw/zinc/89/72/91/558897291.db2.gz	NERPTQZQXGABMS-LJQANCHMSA-N	-1	3	424.501	2.197	40	0		HEABHM
CC[C@H](C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019499843	558897815	/nfs/dbraw/zinc/89/78/15/558897815.db2.gz	QXEMMDXSFQIDEN-KSSFIOAISA-N	-1	3	409.490	2.073	40	0		HEABHM
CCCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019501669	558899713	/nfs/dbraw/zinc/89/97/13/558899713.db2.gz	IXASCBYCFOTBMZ-GOSISDBHSA-N	-1	3	409.490	2.217	40	0		HEABHM
COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(NCCc3ccccn3)n2)CC1=O	ZINC000019571094	558929933	/nfs/dbraw/zinc/92/99/33/558929933.db2.gz	LBXUFUSUBMSZJV-OAHLLOKOSA-N	-1	3	405.458	2.349	40	0		HEABHM
COc1cc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)ccc1O	ZINC000072347237	558943846	/nfs/dbraw/zinc/94/38/46/558943846.db2.gz	GDYQIXZJHTUWHC-ZIAGYGMSSA-N	-1	3	400.479	2.068	40	0		HEABHM
COC[C@H](C)NC(=O)CN1CCC(c2cccc([N-]c3nnc(C)s3)n2)CC1	ZINC000072376169	558965418	/nfs/dbraw/zinc/96/54/18/558965418.db2.gz	LCLPCPAGGNEQKC-ZDUSSCGKSA-N	-1	3	404.540	2.316	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1n[n-]c(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000104247841	559159515	/nfs/dbraw/zinc/15/95/15/559159515.db2.gz	PJEVBQPAYMGUAF-BDAKNGLRSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)[n-]1	ZINC000104247841	559159517	/nfs/dbraw/zinc/15/95/17/559159517.db2.gz	PJEVBQPAYMGUAF-BDAKNGLRSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1nc(NC(=O)Nc2ccc(Cl)cc2)n[n-]1	ZINC000104247841	559159519	/nfs/dbraw/zinc/15/95/19/559159519.db2.gz	PJEVBQPAYMGUAF-BDAKNGLRSA-N	-1	3	407.814	2.153	40	0		HEABHM
CCN1C(=O)C(=Cc2cc(I)c([O-])c(OC)c2)NC1=S	ZINC000409006432	560664635	/nfs/dbraw/zinc/66/46/35/560664635.db2.gz	JMCBHXROXLTLDT-UITAMQMPSA-N	-1	3	404.229	2.083	40	0		HEABHM
CCCN1C(=O)N/C(=C/c2cc(I)c([O-])c(OC)c2)C1=O	ZINC000409236355	560699181	/nfs/dbraw/zinc/69/91/81/560699181.db2.gz	FIPKSBKGCVBFLE-UXBLZVDNSA-N	-1	3	402.188	2.308	40	0		HEABHM
Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c1	ZINC000409377383	560718076	/nfs/dbraw/zinc/71/80/76/560718076.db2.gz	HCCMRABEFGFPTJ-SFHVURJKSA-N	-1	3	404.488	2.470	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)cc1C	ZINC000409380375	560718572	/nfs/dbraw/zinc/71/85/72/560718572.db2.gz	LVZGVKNSZJTODU-UHFFFAOYSA-N	-1	3	417.531	2.257	40	0		HEABHM
O=C(N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1)C(F)(F)F	ZINC000018169674	560871341	/nfs/dbraw/zinc/87/13/41/560871341.db2.gz	GINFMPKWXNNURB-LBPRGKRZSA-N	-1	3	406.368	2.244	40	0		HEABHM
CC1CCN(CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)CC1	ZINC000224296409	568576854	/nfs/dbraw/zinc/57/68/54/568576854.db2.gz	AXSVWFOFPSYQIF-UHFFFAOYSA-N	-1	3	423.564	2.191	40	0		HEABHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(N[C@H]3CS(=O)(=O)C[C@H]3O)cc2)cc1	ZINC000575421520	569025783	/nfs/dbraw/zinc/02/57/83/569025783.db2.gz	IURXTLLSSMKAEV-RBUKOAKNSA-N	-1	3	424.544	2.181	40	0		HEABHM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)c1	ZINC000034792969	557016588	/nfs/dbraw/zinc/01/65/88/557016588.db2.gz	LNEGAFUCYBXRCX-UHFFFAOYSA-N	-1	3	417.531	2.257	40	0		HEABHM
COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408674760	557674522	/nfs/dbraw/zinc/67/45/22/557674522.db2.gz	CFBCXZBJLPKAEV-CQSZACIVSA-N	-1	3	410.467	2.465	40	0		HEABHM
COc1ccc([C@@H]2CN(C(=O)COc3cccnc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1	ZINC000019285480	558859959	/nfs/dbraw/zinc/85/99/59/558859959.db2.gz	OIWZDDDRWGETGI-VQTJNVASSA-N	-1	3	420.469	2.271	40	0		HEABHM
CC(C)COc1cccc(CN2CCc3nc(N4CCOCC4)[n-]c(=O)c3CC2)c1	ZINC000019447375	558886511	/nfs/dbraw/zinc/88/65/11/558886511.db2.gz	HAQXGIYBWIKNEB-UHFFFAOYSA-N	-1	3	412.534	2.242	40	0		HEABHM
COc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)ccn1	ZINC000019448188	558887133	/nfs/dbraw/zinc/88/71/33/558887133.db2.gz	RUVHSWXGTJMTKJ-GOSISDBHSA-N	-1	3	411.506	2.307	40	0		HEABHM
C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(Cc1ccncc1)C2	ZINC000019463391	558894421	/nfs/dbraw/zinc/89/44/21/558894421.db2.gz	GQEJABFVPSXWEN-ZAAXVRCTSA-N	-1	3	407.518	2.433	40	0		HEABHM
CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2	ZINC000019498840	558897353	/nfs/dbraw/zinc/89/73/53/558897353.db2.gz	SMYXJUWVAIAGOO-HNNXBMFYSA-N	-1	3	400.504	2.494	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@@H]3CCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000019570566	558929429	/nfs/dbraw/zinc/92/94/29/558929429.db2.gz	NJJWZDDZOBYLGF-QGZVFWFLSA-N	-1	3	408.502	2.475	40	0		HEABHM
CCOc1cc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)ccc1O	ZINC000072347274	558944198	/nfs/dbraw/zinc/94/41/98/558944198.db2.gz	HWZHXFBQSUHBAY-HUUCEWRRSA-N	-1	3	414.506	2.046	40	0		HEABHM
COCCc1ncc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1	ZINC000019593845	558945148	/nfs/dbraw/zinc/94/51/48/558945148.db2.gz	LFYPOIDUTYOSDT-SFHVURJKSA-N	-1	3	412.538	2.119	40	0		HEABHM
C[C@H]1C[C@@H]1C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000072399120	558976681	/nfs/dbraw/zinc/97/66/81/558976681.db2.gz	LGDYXTVNKUNWID-ZQIUZPCESA-N	-1	3	424.476	2.079	40	0		HEABHM
COc1cccc(CNc2nc(Cn3nc(OC)c4ccccc4c3=O)cc(=O)[n-]2)c1	ZINC000019717531	558980212	/nfs/dbraw/zinc/98/02/12/558980212.db2.gz	QCBMYRXBLZDNPO-UHFFFAOYSA-N	-1	3	419.441	2.157	40	0		HEABHM
CCOC(=O)C1CCN(C(=O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1	ZINC000409173556	560686747	/nfs/dbraw/zinc/68/67/47/560686747.db2.gz	LTYCDXDIIIHYRC-UHFFFAOYSA-N	-1	3	423.318	2.073	40	0		HEABHM
C[C@H]1CCCN(CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1	ZINC000223374176	568546934	/nfs/dbraw/zinc/54/69/34/568546934.db2.gz	YSLMQCHBEPTJNC-AWEZNQCLSA-N	-1	3	423.564	2.191	40	0		HEABHM
C[C@@H]1CCCN(CCC[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)C1	ZINC000223374120	568546943	/nfs/dbraw/zinc/54/69/43/568546943.db2.gz	YSLMQCHBEPTJNC-CQSZACIVSA-N	-1	3	423.564	2.191	40	0		HEABHM
COc1cc(/C=c2/s/c(=C/C(=O)C(C)(C)C)[nH]c2=O)cc(Br)c1[O-]	ZINC000103088506	569042690	/nfs/dbraw/zinc/04/26/90/569042690.db2.gz	ZXENNBXCXFVXRC-BKKXBQFWSA-N	-1	3	412.305	2.138	40	0		HEABHM
O=S(=O)([N-]Cc1nccc(N2CCOCC2)n1)c1cc(Cl)ccc1Cl	ZINC000224173889	569053444	/nfs/dbraw/zinc/05/34/44/569053444.db2.gz	WEGVYZOGRVRGTI-UHFFFAOYSA-N	-1	3	403.291	2.099	40	0		HEABHM
CCc1nnc([N-]c2cc([C@H]3CCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1	ZINC000585291972	571310059	/nfs/dbraw/zinc/31/00/59/571310059.db2.gz	HNZJNGAFIPMQRY-LOWQCSRCSA-N	-1	3	401.540	2.724	40	0		HEABHM
CCC1(CC)C(=O)[N-]C(=O)N(CCCCN2CCN(c3ccccc3)CC2)C1=O	ZINC000010150758	132345333	/nfs/dbraw/zinc/34/53/33/132345333.db2.gz	WBOOIXMHPGLFCG-UHFFFAOYSA-N	-1	3	400.523	2.474	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388809	524610246	/nfs/dbraw/zinc/61/02/46/524610246.db2.gz	GIBKOHGETGDDIY-DOMZBBRYSA-N	-1	3	411.462	2.079	40	0		HEABHM
COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1	ZINC000408592775	557506549	/nfs/dbraw/zinc/50/65/49/557506549.db2.gz	LSABODSKOCTFIN-CQSZACIVSA-N	-1	3	408.476	2.026	40	0		HEABHM
COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc(F)cc1	ZINC000020016402	558320200	/nfs/dbraw/zinc/32/02/00/558320200.db2.gz	HBKSPPWDJHOYNE-NSHDSACASA-N	-1	3	400.859	2.471	40	0		HEABHM
Cn1c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)cc2n(C)c1=O	ZINC000020104912	558332976	/nfs/dbraw/zinc/33/29/76/558332976.db2.gz	MTWKINSRNBEXIS-UHFFFAOYSA-N	-1	3	408.867	2.154	40	0		HEABHM
CCOc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022609935	558501319	/nfs/dbraw/zinc/50/13/19/558501319.db2.gz	HEKPDUFDBZEUIY-ZDUSSCGKSA-N	-1	3	411.462	2.223	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C/C[C@@H](O)[C@@H](O)[C@@](N)(CO)C(=O)[O-]	ZINC000013515427	558536375	/nfs/dbraw/zinc/53/63/75/558536375.db2.gz	ZZIKIHCNFWXKDY-KTQGLFDKSA-N	-1	3	401.544	2.309	40	0	in-vitro	HEABHM
COc1cccc(-c2cc(=O)[n-]c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1	ZINC000013611340	558548455	/nfs/dbraw/zinc/54/84/55/558548455.db2.gz	ZIIKPARQJWETDE-UHFFFAOYSA-N	-1	3	420.469	2.496	40	0		HEABHM
CC(C)(C)C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019081347	558839556	/nfs/dbraw/zinc/83/95/56/558839556.db2.gz	ZSICGHSHWXQFOD-KRWDZBQOSA-N	-1	3	409.490	2.485	40	0		HEABHM
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@@]1(C)NC(=O)[N-]C1=O)CC2	ZINC000019235760	558854820	/nfs/dbraw/zinc/85/48/20/558854820.db2.gz	MTVXUXJVCJYSGL-OAQYLSRUSA-N	-1	3	411.462	2.298	40	0		HEABHM
CC(C)N1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)OCO4)[n-]c(=O)c2C1	ZINC000019448265	558887202	/nfs/dbraw/zinc/88/72/02/558887202.db2.gz	DCSGIIBQZBOWIM-SFHVURJKSA-N	-1	3	424.501	2.171	40	0		HEABHM
CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019501407	558899429	/nfs/dbraw/zinc/89/94/29/558899429.db2.gz	NSJHDVFDSFNVQG-SFHVURJKSA-N	-1	3	409.490	2.217	40	0		HEABHM
CCc1c(C)nc([C@H]2CCCN2C(=O)COc2c(OC)cccc2OC)[n-]c1=O	ZINC000019521579	558902872	/nfs/dbraw/zinc/90/28/72/558902872.db2.gz	FRQACFNYDPOGSO-OAHLLOKOSA-N	-1	3	401.463	2.400	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)cc1	ZINC000019556966	558919143	/nfs/dbraw/zinc/91/91/43/558919143.db2.gz	XZMBJKVZOLFWRO-CQSZACIVSA-N	-1	3	412.471	2.019	40	0		HEABHM
CCn1cncc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(N2CCCC2)n1)c1ccc(F)cc1	ZINC000019578497	558934107	/nfs/dbraw/zinc/93/41/07/558934107.db2.gz	TYOONRSZMYWQOU-SFHVURJKSA-N	-1	3	424.480	2.439	40	0		HEABHM
O=C(c1ccc2c(c1)OCO2)N1CCC(n2nnc3c2nc(C2CC2)[n-]c3=O)CC1	ZINC000072335676	558936946	/nfs/dbraw/zinc/93/69/46/558936946.db2.gz	FFADRRREBOJNDG-UHFFFAOYSA-N	-1	3	408.418	2.010	40	0		HEABHM
COCC(=O)N1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019592801	558943693	/nfs/dbraw/zinc/94/36/93/558943693.db2.gz	BEHGAKWERTVKKC-AWEZNQCLSA-N	-1	3	402.520	2.154	40	0		HEABHM
COc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1OC	ZINC000072347247	558943883	/nfs/dbraw/zinc/94/38/83/558943883.db2.gz	HNWYZLRSMBNKMP-HUUCEWRRSA-N	-1	3	414.506	2.371	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@H](C)C4)nc3C2)cc1O	ZINC000072347250	558943899	/nfs/dbraw/zinc/94/38/99/558943899.db2.gz	CCSJXANYSZECEG-ZIAGYGMSSA-N	-1	3	400.479	2.068	40	0		HEABHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccc4[nH]cnc4c2)CC3)C1	ZINC000019654701	558948014	/nfs/dbraw/zinc/94/80/14/558948014.db2.gz	PQMOYKYJNRGHHH-AWEZNQCLSA-N	-1	3	406.490	2.010	40	0		HEABHM
C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccc4nc[nH]c4c2)CC3)C1	ZINC000019654701	558948015	/nfs/dbraw/zinc/94/80/15/558948015.db2.gz	PQMOYKYJNRGHHH-AWEZNQCLSA-N	-1	3	406.490	2.010	40	0		HEABHM
O=C(C1CC1)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C1CCOCC1)CC3	ZINC000100234199	559132700	/nfs/dbraw/zinc/13/27/00/559132700.db2.gz	OODOVAAQCMUHQZ-IBGZPJMESA-N	-1	3	411.506	2.046	40	0		HEABHM
CCN1C(=O)/C(=C/c2cc(I)c([O-])c(OC)c2)N(C)C1=S	ZINC000409037952	560668503	/nfs/dbraw/zinc/66/85/03/560668503.db2.gz	UZRZCDLMEVGOCL-POHAHGRESA-N	-1	3	418.256	2.425	40	0		HEABHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)ccc1OC	ZINC000223783846	568559038	/nfs/dbraw/zinc/55/90/38/568559038.db2.gz	XRPBGTOEBSCNBY-UHFFFAOYSA-N	-1	3	417.487	2.291	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)[N-]c1nnc(SC)s1	ZINC000224782064	568596634	/nfs/dbraw/zinc/59/66/34/568596634.db2.gz	RSLBJLXNZZUOTR-UHFFFAOYSA-N	-1	3	414.534	2.305	40	0		HEABHM
CC[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000225843003	568679834	/nfs/dbraw/zinc/67/98/34/568679834.db2.gz	DFWQQHQSPJAEJC-ZDUSSCGKSA-N	-1	3	417.601	2.456	40	0		HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)cc1	ZINC000225963966	568689440	/nfs/dbraw/zinc/68/94/40/568689440.db2.gz	GAGOETAVEPKDGM-QGZVFWFLSA-N	-1	3	404.444	2.029	40	0		HEABHM
Cc1nc(C)c(CC(=O)N2CCO[C@H](c3ccc(Nc4ccccn4)cn3)C2)c(=O)[n-]1	ZINC000257234898	568786138	/nfs/dbraw/zinc/78/61/38/568786138.db2.gz	GVNMJNBDPINBPG-IBGZPJMESA-N	-1	3	420.473	2.475	40	0		HEABHM
CCOc1ccc(N2C(=O)C[C@H](NCc3n[n-]c(=S)n3-c3ccccc3)C2=O)cc1	ZINC000003856225	568927714	/nfs/dbraw/zinc/92/77/14/568927714.db2.gz	XYYDPICBESSRTG-KRWDZBQOSA-N	-1	3	423.498	2.376	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)cc1	ZINC000005985521	569329154	/nfs/dbraw/zinc/32/91/54/569329154.db2.gz	WQKJLBSLXSYHLN-GOSISDBHSA-N	-1	3	420.487	2.170	40	0		HEABHM
O=C([C@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019014897	569345187	/nfs/dbraw/zinc/34/51/87/569345187.db2.gz	ZEAJTFDOYZDYTO-DNVCBOLYSA-N	-1	3	400.523	2.368	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c([C@@H]4CCN(C(=O)[C@@H]5C[C@@H]5C)C4)nc3C2)cc1	ZINC000019462756	569345519	/nfs/dbraw/zinc/34/55/19/569345519.db2.gz	NXFGXNINQRZKCK-XAUMDUMWSA-N	-1	3	422.529	2.309	40	0		HEABHM
O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCCCC4)cc3)cc2c(=O)[nH]1	ZINC000012117101	558328698	/nfs/dbraw/zinc/32/86/98/558328698.db2.gz	LWQAFHDHVCJDJN-UHFFFAOYSA-N	-1	3	414.487	2.398	40	0		HEABHM
COc1cc(CCC(=O)N2CCC[C@@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)ccc1C	ZINC000019214639	558849725	/nfs/dbraw/zinc/84/97/25/558849725.db2.gz	NWQCNCNLIHEOKN-GOSISDBHSA-N	-1	3	424.545	2.414	40	0		HEABHM
O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2cccnc2)C3)C1	ZINC000019339464	558871210	/nfs/dbraw/zinc/87/12/10/558871210.db2.gz	RXJOBINSLAKKEW-GOSISDBHSA-N	-1	3	407.518	2.229	40	0		HEABHM
CC(C)N1CCc2nc3cc([C@@H]4CCCN(S(=O)(=O)C(C)C)C4)[n-]n3c(=O)c2C1	ZINC000019448093	558886718	/nfs/dbraw/zinc/88/67/18/558886718.db2.gz	NLTXELKLMWZWSE-OAHLLOKOSA-N	-1	3	421.567	2.119	40	0		HEABHM
C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458378	558892413	/nfs/dbraw/zinc/89/24/13/558892413.db2.gz	JGEANICWMJXCAJ-NSHDSACASA-N	-1	3	410.305	2.320	40	0		HEABHM
C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019463369	558894295	/nfs/dbraw/zinc/89/42/95/558894295.db2.gz	PQELZNRWMQQDON-UCLAIMLFSA-N	-1	3	421.501	2.073	40	0		HEABHM
CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2	ZINC000019501404	558899506	/nfs/dbraw/zinc/89/95/06/558899506.db2.gz	ACMGRIGFNXZEEL-GOSISDBHSA-N	-1	3	409.490	2.217	40	0		HEABHM
CCc1nnsc1C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1	ZINC000019521847	558903000	/nfs/dbraw/zinc/90/30/00/558903000.db2.gz	RSLJCZNTXCJCFO-UHFFFAOYSA-N	-1	3	402.505	2.327	40	0		HEABHM
CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)n1	ZINC000019522539	558903776	/nfs/dbraw/zinc/90/37/76/558903776.db2.gz	JUXWTBFIBYJLOE-OAHLLOKOSA-N	-1	3	401.463	2.264	40	0		HEABHM
COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(N(C)CCc3ccccn3)n2)CC1=O	ZINC000019586267	558939375	/nfs/dbraw/zinc/93/93/75/558939375.db2.gz	COWNMECCKKHGBE-INIZCTEOSA-N	-1	3	419.485	2.373	40	0		HEABHM
CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)[C@@H]4CCCO4)[n-]n3c2=O)C1	ZINC000100234077	559132712	/nfs/dbraw/zinc/13/27/12/559132712.db2.gz	SYPXEONJZDDMNS-OALUTQOASA-N	-1	3	413.522	2.434	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1n[n-]c(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000104247848	559159505	/nfs/dbraw/zinc/15/95/05/559159505.db2.gz	PJEVBQPAYMGUAF-IUCAKERBSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)[n-]1	ZINC000104247848	559159506	/nfs/dbraw/zinc/15/95/06/559159506.db2.gz	PJEVBQPAYMGUAF-IUCAKERBSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@H](C)c1nc(NC(=O)Nc2ccc(Cl)cc2)n[n-]1	ZINC000104247848	559159508	/nfs/dbraw/zinc/15/95/08/559159508.db2.gz	PJEVBQPAYMGUAF-IUCAKERBSA-N	-1	3	407.814	2.153	40	0		HEABHM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)NCCOC)C2=O)cc(Cl)c1[O-]	ZINC000409216129	560697207	/nfs/dbraw/zinc/69/72/07/560697207.db2.gz	FMWCAQMMHMMSNJ-JYRVWZFOSA-N	-1	3	414.867	2.243	40	0		HEABHM
Cc1nccn1-c1ccccc1C[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223125891	568538611	/nfs/dbraw/zinc/53/86/11/568538611.db2.gz	LBRSRJDIBONPSN-UHFFFAOYSA-N	-1	3	420.520	2.105	40	0		HEABHM
Cc1ncsc1C(=O)N[C@@H]1CCCC[C@@]12CN(Cc1ncccc1[O-])CCO2	ZINC000306142549	568904225	/nfs/dbraw/zinc/90/42/25/568904225.db2.gz	XCQAWEIMGDWUOX-YLJYHZDGSA-N	-1	3	402.520	2.496	40	0		HEABHM
C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000253591720	569318252	/nfs/dbraw/zinc/31/82/52/569318252.db2.gz	PQELZNRWMQQDON-LJHODMEESA-N	-1	3	421.501	2.485	40	0		HEABHM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCN(C)CC3)cc2)c1	ZINC000035375658	557703142	/nfs/dbraw/zinc/70/31/42/557703142.db2.gz	ZUBKEGFALYNJSJ-UHFFFAOYSA-N	-1	3	417.531	2.257	40	0		HEABHM
COC(=O)Cc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O	ZINC000013611810	558548772	/nfs/dbraw/zinc/54/87/72/558548772.db2.gz	GZCZSIHTGORYFR-UHFFFAOYSA-N	-1	3	410.396	2.139	40	0		HEABHM
Cc1nc(N)[n-]c(=O)c1CCCN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1	ZINC000017025433	558812112	/nfs/dbraw/zinc/81/21/12/558812112.db2.gz	FZGJZSUVSFGEJF-UHFFFAOYSA-N	-1	3	413.503	2.071	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3ccc4c(c3)OCO4)[n-]c2=O)C1	ZINC000019018988	558837467	/nfs/dbraw/zinc/83/74/67/558837467.db2.gz	DLIJMHAKCCLNDH-QGZVFWFLSA-N	-1	3	424.457	2.183	40	0		HEABHM
C[C@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCCC1	ZINC000019078040	558838482	/nfs/dbraw/zinc/83/84/82/558838482.db2.gz	ZVUNRWYOAOXTIQ-CQSZACIVSA-N	-1	3	401.536	2.474	40	0		HEABHM
COc1cc(CCC(=O)N2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C)CC4)C2)ccc1C	ZINC000019214641	558849759	/nfs/dbraw/zinc/84/97/59/558849759.db2.gz	NWQCNCNLIHEOKN-SFHVURJKSA-N	-1	3	424.545	2.414	40	0		HEABHM
Cc1cccc(Nc2noc3c2CN(C(=O)CC[C@]2(C)NC(=O)[N-]C2=O)CC3)c1C	ZINC000019235655	558854829	/nfs/dbraw/zinc/85/48/29/558854829.db2.gz	PJECHTCIXAAKPU-NRFANRHFSA-N	-1	3	411.462	2.298	40	0		HEABHM
O=C(c1cccnc1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019337359	558870369	/nfs/dbraw/zinc/87/03/69/558870369.db2.gz	XTJVCWHOLFKIFW-QGZVFWFLSA-N	-1	3	407.518	2.485	40	0		HEABHM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344249	558872761	/nfs/dbraw/zinc/87/27/61/558872761.db2.gz	BGAXQQZDNKXDCK-KBPBESRZSA-N	-1	3	421.544	2.029	40	0		HEABHM
O=C(CCc1ccccc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1	ZINC000019370647	558878862	/nfs/dbraw/zinc/87/88/62/558878862.db2.gz	XEQUJWHNNVIWED-SFHVURJKSA-N	-1	3	420.513	2.013	40	0		HEABHM
COc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)cc1	ZINC000019448263	558887005	/nfs/dbraw/zinc/88/70/05/558887005.db2.gz	VTJCLEDPELEUOK-FQEVSTJZSA-N	-1	3	410.518	2.451	40	0		HEABHM
COc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2	ZINC000019448283	558887498	/nfs/dbraw/zinc/88/74/98/558887498.db2.gz	YBWXFNYIDKBEAY-IBGZPJMESA-N	-1	3	410.518	2.451	40	0		HEABHM
C[C@@H](NCc1ccc2c(c1)n(C)c(=O)n2C)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497029	558895971	/nfs/dbraw/zinc/89/59/71/558895971.db2.gz	YMJYYZHFVKNYNF-OAHLLOKOSA-N	-1	3	410.522	2.047	40	0		HEABHM
CCOc1cc(CCC(=O)N2CC[C@H](c3nc(-c4ccccn4)cc(=O)[n-]3)C2)on1	ZINC000019532301	558912642	/nfs/dbraw/zinc/91/26/42/558912642.db2.gz	JFWCSOAARFRLOH-AWEZNQCLSA-N	-1	3	409.446	2.167	40	0		HEABHM
Cc1nn(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C	ZINC000019556468	558918854	/nfs/dbraw/zinc/91/88/54/558918854.db2.gz	JANBSNMOHNSPTO-IBGZPJMESA-N	-1	3	412.538	2.434	40	0		HEABHM
COc1ccccc1CN1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019570348	558929157	/nfs/dbraw/zinc/92/91/57/558929157.db2.gz	UXUCBTYCRDQUMN-GOSISDBHSA-N	-1	3	422.529	2.453	40	0		HEABHM
COCCC(=O)N1CCC(c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2)C3)CC1	ZINC000019593111	558944037	/nfs/dbraw/zinc/94/40/37/558944037.db2.gz	FKDUFGGNPMCYFO-UHFFFAOYSA-N	-1	3	410.518	2.483	40	0		HEABHM
C[C@@H](c1cc(=O)[n-]c(N(C)CCc2ccccn2)n1)n1ncc2ccccc2c1=O	ZINC000019717548	558980367	/nfs/dbraw/zinc/98/03/67/558980367.db2.gz	PIIMTNRLUDOOMM-HNNXBMFYSA-N	-1	3	402.458	2.163	40	0		HEABHM
C[C@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585098607	559024257	/nfs/dbraw/zinc/02/42/57/559024257.db2.gz	VOXWLJREJXRLHT-HNNXBMFYSA-N	-1	3	405.458	2.060	40	0		HEABHM
Cc1nc2sc3c(c2c(SCC(=O)Nc2c(C)[nH]c(=O)[n-]c2=O)n1)CCCC3	ZINC000004885925	560614836	/nfs/dbraw/zinc/61/48/36/560614836.db2.gz	NBGFSFLZZLZHAH-UHFFFAOYSA-N	-1	3	417.516	2.294	40	0		HEABHM
O=C(C1CC1)N1CCC(c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[n-]2)CC1	ZINC000005763024	560627571	/nfs/dbraw/zinc/62/75/71/560627571.db2.gz	TVVYUCYWSRFOFW-UHFFFAOYSA-N	-1	3	412.881	2.332	40	0		HEABHM
CCCN1C(=O)C(=Cc2cc(I)c([O-])c(OC)c2)NC1=S	ZINC000409080911	560673810	/nfs/dbraw/zinc/67/38/10/560673810.db2.gz	OGCXTOISSRMUQQ-POHAHGRESA-N	-1	3	418.256	2.473	40	0		HEABHM
CC[C@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000225275633	568627283	/nfs/dbraw/zinc/62/72/83/568627283.db2.gz	KIMZPYCNAWPQST-ZDUSSCGKSA-N	-1	3	403.574	2.066	40	0		HEABHM
O=C(NCC[C@@]12CCCC[C@@H]1c1c([nH]c(=O)[n-]c1=O)O2)c1cc(C(F)(F)F)n[nH]1	ZINC000257261142	568793059	/nfs/dbraw/zinc/79/30/59/568793059.db2.gz	LFXNBUKCHMEQPE-BCTVWOGZSA-N	-1	3	413.356	2.239	40	0		HEABHM
O=C(c1cc(=O)[n-]c(-c2ccc(F)cc2)n1)N1CC[C@@]2(C1)COCc1cncnc12	ZINC000306137449	568899401	/nfs/dbraw/zinc/89/94/01/568899401.db2.gz	QWMLKRWMVKNSIW-OAQYLSRUSA-N	-1	3	407.405	2.092	40	0		HEABHM
Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000408596237	557514166	/nfs/dbraw/zinc/51/41/66/557514166.db2.gz	RUXQOEOKTNXABH-INIZCTEOSA-N	-1	3	404.488	2.422	40	0		HEABHM
Cc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)N3CCOCC3)cc2)c1	ZINC000408596239	557514202	/nfs/dbraw/zinc/51/42/02/557514202.db2.gz	RUXQOEOKTNXABH-MRXNPFEDSA-N	-1	3	404.488	2.422	40	0		HEABHM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCCN3CCOCC3)c2)cc1	ZINC000022874287	558518396	/nfs/dbraw/zinc/51/83/96/558518396.db2.gz	WRLWLVGMLHQSNN-UHFFFAOYSA-N	-1	3	417.531	2.248	40	0		HEABHM
COc1cccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)c1	ZINC000019018957	558837246	/nfs/dbraw/zinc/83/72/46/558837246.db2.gz	IDWBRTMNTCFYJQ-FQEVSTJZSA-N	-1	3	424.501	2.392	40	0		HEABHM
C[C@@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCC1=O	ZINC000019078035	558838498	/nfs/dbraw/zinc/83/84/98/558838498.db2.gz	GVWINXMPUBVORF-LBPRGKRZSA-N	-1	3	401.492	2.023	40	0		HEABHM
C[C@@H](C(=O)N1CCC(c2nc(-c3nccs3)cc(=O)[n-]2)CC1)N1CCCCC1	ZINC000019078043	558838603	/nfs/dbraw/zinc/83/86/03/558838603.db2.gz	ZVUNRWYOAOXTIQ-AWEZNQCLSA-N	-1	3	401.536	2.474	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3cccc(C)c3)[n-]c2=O)C1	ZINC000019234756	558854037	/nfs/dbraw/zinc/85/40/37/558854037.db2.gz	WQXSGLGSIVWATD-HXUWFJFHSA-N	-1	3	408.502	2.279	40	0		HEABHM
O=C(Cc1ccccc1)N[C@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccccc1	ZINC000019370330	558878392	/nfs/dbraw/zinc/87/83/92/558878392.db2.gz	CUFYNUZXIODLRU-OAQYLSRUSA-N	-1	3	418.497	2.249	40	0		HEABHM
O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CCC3)nc2C1	ZINC000019404924	558884628	/nfs/dbraw/zinc/88/46/28/558884628.db2.gz	WBUVRWYJRHRRSW-LJQANCHMSA-N	-1	3	421.501	2.217	40	0		HEABHM
CC(C)N1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccccc3)[n-]c(=O)c2C1	ZINC000019448204	558887090	/nfs/dbraw/zinc/88/70/90/558887090.db2.gz	RMSRTAHRCAQJTN-IBGZPJMESA-N	-1	3	416.547	2.452	40	0		HEABHM
COc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(C)C)CC2	ZINC000019448281	558887172	/nfs/dbraw/zinc/88/71/72/558887172.db2.gz	YBWXFNYIDKBEAY-LJQANCHMSA-N	-1	3	410.518	2.451	40	0		HEABHM
C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019463371	558894352	/nfs/dbraw/zinc/89/43/52/558894352.db2.gz	PQELZNRWMQQDON-LSBZLQRGSA-N	-1	3	421.501	2.073	40	0		HEABHM
C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019463367	558894403	/nfs/dbraw/zinc/89/44/03/558894403.db2.gz	PQELZNRWMQQDON-DKSSEZFCSA-N	-1	3	421.501	2.073	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2cccc4cccnc42)C3)C[C@@H](C)O1	ZINC000019497603	558896418	/nfs/dbraw/zinc/89/64/18/558896418.db2.gz	PGJUTWVFDYSYAC-HZPDHXFCSA-N	-1	3	405.502	2.490	40	0		HEABHM
CCC(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(C(=O)c2cccs2)CC3)C1	ZINC000019498757	558897009	/nfs/dbraw/zinc/89/70/09/558897009.db2.gz	RTSBJISVGYDRBV-CYBMUJFWSA-N	-1	3	400.504	2.146	40	0		HEABHM
CCC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)c3cccc(OC)c3)[n-]c2=O)C1	ZINC000019499134	558897298	/nfs/dbraw/zinc/89/72/98/558897298.db2.gz	HHNBCWOCRIBHMR-LJQANCHMSA-N	-1	3	424.501	2.441	40	0		HEABHM
CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000019501108	558898949	/nfs/dbraw/zinc/89/89/49/558898949.db2.gz	YTZCSNHNGKYOKN-CQSZACIVSA-N	-1	3	412.465	2.224	40	0		HEABHM
Cc1nn(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)C)C3)c(C)c1C	ZINC000019556471	558918890	/nfs/dbraw/zinc/91/88/90/558918890.db2.gz	JANBSNMOHNSPTO-LJQANCHMSA-N	-1	3	412.538	2.434	40	0		HEABHM
COc1ccccc1C(=O)N1CC[C@H](c2nc(-c3cccnc3OC)cc(=O)[n-]2)C1	ZINC000019568612	558927720	/nfs/dbraw/zinc/92/77/20/558927720.db2.gz	WUXGCSMQWNZAOQ-AWEZNQCLSA-N	-1	3	406.442	2.479	40	0		HEABHM
COc1ccccc1CN1CCc2c(=O)[n-]c([C@@H]3CCN(C(=O)C4CC4)C3)nc2C1	ZINC000019570664	558929528	/nfs/dbraw/zinc/92/95/28/558929528.db2.gz	RHLMTFCEBDASMN-QGZVFWFLSA-N	-1	3	408.502	2.063	40	0		HEABHM
COc1cc(CN2CCc3c(=O)[n-]c(N4C[C@@H](C)O[C@@H](C)C4)nc3C2)ccc1O	ZINC000072347235	558943912	/nfs/dbraw/zinc/94/39/12/558943912.db2.gz	GDYQIXZJHTUWHC-OKILXGFUSA-N	-1	3	400.479	2.068	40	0		HEABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388795	558945851	/nfs/dbraw/zinc/94/58/51/558945851.db2.gz	JXCGBPKYSFDESV-LRDDRELGSA-N	-1	3	423.473	2.273	40	0		HEABHM
COC[C@@H](C)NC(=O)CN1CCC(c2cccc([N-]c3nnc(C)s3)n2)CC1	ZINC000072376170	558965410	/nfs/dbraw/zinc/96/54/10/558965410.db2.gz	LCLPCPAGGNEQKC-CYBMUJFWSA-N	-1	3	404.540	2.316	40	0		HEABHM
O=C(C[C@H]1CN(C(=O)c2cccc([O-])c2)Cc2ccnn21)N1CCC(F)(F)CC1	ZINC000585095692	559023281	/nfs/dbraw/zinc/02/32/81/559023281.db2.gz	CEQYURWIEGTVGQ-INIZCTEOSA-N	-1	3	404.417	2.434	40	0		HEABHM
CC(=O)N1CCCN(CC[C@H]2CN(C(=O)CC(C)(C)C)CC[C@H]2CC(=O)[O-])CC1	ZINC000020463197	560092974	/nfs/dbraw/zinc/09/29/74/560092974.db2.gz	KLPZBKVRTBBYOZ-OALUTQOASA-N	-1	3	409.571	2.306	40	0	biogenic,in-vitro	HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OC	ZINC000225585836	568654726	/nfs/dbraw/zinc/65/47/26/568654726.db2.gz	FYYDIXNXSKTIAI-UHFFFAOYSA-N	-1	3	420.443	2.167	40	0		HEABHM
[O-]c1cccnc1CN1CC[C@@]2(C1)COCc1cnc(NCC3CCOCC3)nc12	ZINC000248069862	568747121	/nfs/dbraw/zinc/74/71/21/568747121.db2.gz	XODVTMLTGWOKQK-JOCHJYFZSA-N	-1	3	411.506	2.090	40	0		HEABHM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]C1CCN(Cc2ccccc2)CC1	ZINC000006859715	569157430	/nfs/dbraw/zinc/15/74/30/569157430.db2.gz	LNYPICKEOHDPCJ-UHFFFAOYSA-N	-1	3	418.544	2.007	40	0		HEABHM
CCOc1cc(CN2CCc3c(=O)[n-]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)ccc1O	ZINC000012184610	569344606	/nfs/dbraw/zinc/34/46/06/569344606.db2.gz	HWZHXFBQSUHBAY-GJZGRUSLSA-N	-1	3	414.506	2.046	40	0		HEABHM
O=C([C@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019014899	569345159	/nfs/dbraw/zinc/34/51/59/569345159.db2.gz	ZEAJTFDOYZDYTO-HNAYVOBHSA-N	-1	3	400.523	2.368	40	0		HEABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139077341	569354382	/nfs/dbraw/zinc/35/43/82/569354382.db2.gz	JXCGBPKYSFDESV-BLLLJJGKSA-N	-1	3	423.473	2.273	40	0		HEABHM
Cn1nc(-c2ccco2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)CCCC(=O)[O-]	ZINC000008635394	291211387	/nfs/dbraw/zinc/21/13/87/291211387.db2.gz	VBMYKQHBBFCNQU-XHSDSOJGSA-N	-1	3	400.479	2.229	40	0	biogenic,in-vitro	HEABHM
Cc1cc(C(=O)Nc2ncc(-c3ccc(C)c(C)c3)n2C)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019662638	524187303	/nfs/dbraw/zinc/18/73/03/524187303.db2.gz	ABOOKKOUPHKRSD-UHFFFAOYSA-N	-1	3	418.457	2.200	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21	ZINC000040390319	524623279	/nfs/dbraw/zinc/62/32/79/524623279.db2.gz	VHSPQNJRNIOPLK-STQMWFEESA-N	-1	3	411.462	2.222	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1	ZINC000040389064	526199840	/nfs/dbraw/zinc/19/98/40/526199840.db2.gz	TZOJPZUYANWWFG-WFASDCNBSA-N	-1	3	411.462	2.222	40	0		HEABHM
Nc1ccc(S(=O)(=O)[N-]c2cccc(NS(=O)(=O)c3ccc(N)cc3)c2)cc1	ZINC000001653133	557278911	/nfs/dbraw/zinc/27/89/11/557278911.db2.gz	GFVJXVJRNPEFTI-UHFFFAOYSA-N	-1	3	418.500	2.453	40	0		HEABHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@@H](C)C(=O)N2CCOCC2)cc1	ZINC000408587434	557490814	/nfs/dbraw/zinc/49/08/14/557490814.db2.gz	BVWDQLZREJIIST-INIZCTEOSA-N	-1	3	404.488	2.422	40	0		HEABHM
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1	ZINC000408626275	557558095	/nfs/dbraw/zinc/55/80/95/557558095.db2.gz	VZPZUEUDTCPTAV-MRXNPFEDSA-N	-1	3	417.487	2.219	40	0		HEABHM
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCCCO	ZINC000408679380	557686098	/nfs/dbraw/zinc/68/60/98/557686098.db2.gz	WHFHUFQZMBHFQX-UHFFFAOYSA-N	-1	3	412.895	2.327	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C/C[C@H](O)[C@@H](O)[C@@](N)(CO)C(=O)[O-]	ZINC000013515428	558536292	/nfs/dbraw/zinc/53/62/92/558536292.db2.gz	ZZIKIHCNFWXKDY-OZKYFCMZSA-N	-1	3	401.544	2.309	40	0	in-vitro	HEABHM
CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccc1[O-]	ZINC000015109707	558723643	/nfs/dbraw/zinc/72/36/43/558723643.db2.gz	REZXROMQMHTRBF-UHFFFAOYSA-N	-1	3	410.879	2.343	40	0		HEABHM
Cc1cccc(C)c1Nc1noc2c1CN(C(=O)CC[C@]1(C)NC(=O)[N-]C1=O)CC2	ZINC000019235761	558854834	/nfs/dbraw/zinc/85/48/34/558854834.db2.gz	MTVXUXJVCJYSGL-NRFANRHFSA-N	-1	3	411.462	2.298	40	0		HEABHM
Cc1cnc(C(=O)N2CC[C@H](c3nc4c(c(=O)[n-]3)CCN(C3CCCCC3)C4)C2)cn1	ZINC000019238826	558857543	/nfs/dbraw/zinc/85/75/43/558857543.db2.gz	IBHKIOHXRJFDHT-INIZCTEOSA-N	-1	3	422.533	2.189	40	0		HEABHM
CC[C@@H](C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019499840	558897764	/nfs/dbraw/zinc/89/77/64/558897764.db2.gz	QXEMMDXSFQIDEN-RDTXWAMCSA-N	-1	3	409.490	2.073	40	0		HEABHM
CCC(CC)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019500172	558898290	/nfs/dbraw/zinc/89/82/90/558898290.db2.gz	BTGCFEINZBXHKC-LJQANCHMSA-N	-1	3	423.517	2.463	40	0		HEABHM
CCCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(Cc2ccccc2OC)C3)C1	ZINC000019501114	558899015	/nfs/dbraw/zinc/89/90/15/558899015.db2.gz	OZZGNFGAQGGIPO-QGZVFWFLSA-N	-1	3	410.518	2.453	40	0		HEABHM
CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019501406	558899471	/nfs/dbraw/zinc/89/94/71/558899471.db2.gz	NSJHDVFDSFNVQG-GOSISDBHSA-N	-1	3	409.490	2.217	40	0		HEABHM
COc1ccc(OCC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccncc4)n3)C2)cc1	ZINC000019556715	558919072	/nfs/dbraw/zinc/91/90/72/558919072.db2.gz	SXDAEQVKSPRLAK-INIZCTEOSA-N	-1	3	406.442	2.235	40	0		HEABHM
COc1ccccc1CN1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CCC2)C3)C1	ZINC000019570072	558928903	/nfs/dbraw/zinc/92/89/03/558928903.db2.gz	BWOXSLARLVLJHP-GOSISDBHSA-N	-1	3	422.529	2.453	40	0		HEABHM
COc1ccccc1N1C[C@H](c2cc(=O)[n-]c(NCCc3ccncc3)n2)CC1=O	ZINC000019571100	558929880	/nfs/dbraw/zinc/92/98/80/558929880.db2.gz	MIAHKZHQNXVARO-MRXNPFEDSA-N	-1	3	405.458	2.349	40	0		HEABHM
CN(C)CC(=O)N1CCc2nc([C@@H]3CCCN3Cc3cccs3)[n-]c(=O)c2C1	ZINC000019581792	558937162	/nfs/dbraw/zinc/93/71/62/558937162.db2.gz	KUACYYWDXIITFM-KRWDZBQOSA-N	-1	3	401.536	2.027	40	0		HEABHM
CN(CCc1ccccc1)c1nc([C@@H]2CC(=O)N(Cc3ccccn3)C2)cc(=O)[n-]1	ZINC000019586228	558939471	/nfs/dbraw/zinc/93/94/71/558939471.db2.gz	YWCQQOCBNUKJCC-GOSISDBHSA-N	-1	3	403.486	2.360	40	0		HEABHM
COC(=O)Cn1cc(CN2CCc3nc(N4CCCC4)[n-]c(=O)c3C2)c2ccccc21	ZINC000019592512	558943254	/nfs/dbraw/zinc/94/32/54/558943254.db2.gz	GUOAOGRNSOFPGD-UHFFFAOYSA-N	-1	3	421.501	2.056	40	0		HEABHM
COCc1cc(=O)[n-]c([C@@H]2CCCN(Cc3cc(OC)c(OC)c(OC)c3)C2)n1	ZINC000019594301	558945110	/nfs/dbraw/zinc/94/51/10/558945110.db2.gz	JYDDPNDWQPJCEJ-OAHLLOKOSA-N	-1	3	403.479	2.322	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388811	558947285	/nfs/dbraw/zinc/94/72/85/558947285.db2.gz	GIBKOHGETGDDIY-WFASDCNBSA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@H]4C)C3)[n-]c(=O)c2C1	ZINC000072399140	558976871	/nfs/dbraw/zinc/97/68/71/558976871.db2.gz	UBJARVAUGANOPS-BPQIPLTHSA-N	-1	3	422.529	2.309	40	0		HEABHM
COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)cc(I)c1[O-]	ZINC000409036066	560668812	/nfs/dbraw/zinc/66/88/12/560668812.db2.gz	LARHMTVZVRZWHB-UITAMQMPSA-N	-1	3	404.229	2.035	40	0		HEABHM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)ccc1OC	ZINC000216303678	568464210	/nfs/dbraw/zinc/46/42/10/568464210.db2.gz	HAOWCNVETKNYGK-UHFFFAOYSA-N	-1	3	417.487	2.373	40	0		HEABHM
COc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)c3ccccc3)s2)cc1	ZINC000223298387	568544339	/nfs/dbraw/zinc/54/43/39/568544339.db2.gz	HDRYUMUETOXAAT-UHFFFAOYSA-N	-1	3	404.473	2.278	40	0		HEABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCC2CCOCC2)[C@@H]1O	ZINC000257217890	568781187	/nfs/dbraw/zinc/78/11/87/568781187.db2.gz	DBACYKHTJLBJEY-MIULDMEKSA-N	-1	3	417.502	2.140	40	0		HEABHM
CC1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@@H]3C[C@H]21	ZINC000257219694	568781896	/nfs/dbraw/zinc/78/18/96/568781896.db2.gz	DHTCLKYUYKIHBT-IQMMLEMLSA-N	-1	3	402.491	2.344	40	0		HEABHM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(O[C@H](C)C(=O)N2CCOCC2)cc1	ZINC000408587435	557490825	/nfs/dbraw/zinc/49/08/25/557490825.db2.gz	BVWDQLZREJIIST-MRXNPFEDSA-N	-1	3	404.488	2.422	40	0		HEABHM
COCCCNC(=O)c1ccccc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1	ZINC000408607597	557519548	/nfs/dbraw/zinc/51/95/48/557519548.db2.gz	MXCURICOVMMFJH-UHFFFAOYSA-N	-1	3	405.476	2.077	40	0		HEABHM
COc1cc2cc(C(=O)N3C[C@@H]4c5nc(C)[n-]c(=O)c5CC[C@@H]4C3)n(C)c2cc1OC	ZINC000012088727	558323398	/nfs/dbraw/zinc/32/33/98/558323398.db2.gz	MKGIAOYXWCTESB-CJNGLKHVSA-N	-1	3	422.485	2.389	40	0		HEABHM
COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1N1CCCC1=O	ZINC000020044496	558326958	/nfs/dbraw/zinc/32/69/58/558326958.db2.gz	QYQFOMVOUPOGER-UHFFFAOYSA-N	-1	3	404.444	2.394	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1	ZINC000022610134	558501554	/nfs/dbraw/zinc/50/15/54/558501554.db2.gz	HEZJLYMLPBEIHX-HNNXBMFYSA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1	ZINC000022610176	558501594	/nfs/dbraw/zinc/50/15/94/558501594.db2.gz	WHOQGWYANJWOJD-OAHLLOKOSA-N	-1	3	411.462	2.079	40	0		HEABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NCCCn1ccnc1	ZINC000016490346	558794557	/nfs/dbraw/zinc/79/45/57/558794557.db2.gz	IYPCEKGVSRXQKA-UHFFFAOYSA-N	-1	3	414.487	2.269	40	0		HEABHM
CCN1C(=O)/C(=C2/[N-]C(=O)NC2=O)c2cc(Br)cc(Br)c21	ZINC000013915122	558832683	/nfs/dbraw/zinc/83/26/83/558832683.db2.gz	QIINVBJHZQFKAP-CMDGGOBGSA-N	-1	3	415.041	2.129	40	0		HEABHM
COc1ccc(CN2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1OC	ZINC000019019036	558837434	/nfs/dbraw/zinc/83/74/34/558837434.db2.gz	YIBHHOMMNJKWNX-GOSISDBHSA-N	-1	3	412.490	2.029	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCCN3C(=O)Cc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019209717	558848013	/nfs/dbraw/zinc/84/80/13/558848013.db2.gz	FPTITZBUYBLCIN-HXUWFJFHSA-N	-1	3	408.502	2.279	40	0		HEABHM
O=C(c1ccncc1)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(Cc1cccnc1)CC2	ZINC000019339381	558871271	/nfs/dbraw/zinc/87/12/71/558871271.db2.gz	QRNKPKYPKPAMDW-FQEVSTJZSA-N	-1	3	416.485	2.096	40	0		HEABHM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN(C(=O)C4CC4)C3)[n-]c(=O)c2C1	ZINC000019342736	558872294	/nfs/dbraw/zinc/87/22/94/558872294.db2.gz	KUYMUOYDOKAGOF-AWEZNQCLSA-N	-1	3	412.515	2.146	40	0		HEABHM
O=C(Nc1ccccc1C(F)(F)F)N1CCc2nc(N3CCOCC3)[n-]c(=O)c2C1	ZINC000019347801	558874069	/nfs/dbraw/zinc/87/40/69/558874069.db2.gz	CTJZSTCDNFSOMT-UHFFFAOYSA-N	-1	3	423.395	2.216	40	0		HEABHM
COc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)ccn1	ZINC000019448190	558886925	/nfs/dbraw/zinc/88/69/25/558886925.db2.gz	RUVHSWXGTJMTKJ-SFHVURJKSA-N	-1	3	411.506	2.307	40	0		HEABHM
C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019458376	558892520	/nfs/dbraw/zinc/89/25/20/558892520.db2.gz	JGEANICWMJXCAJ-LLVKDONJSA-N	-1	3	410.305	2.320	40	0		HEABHM
C[C@@H](NC(=O)c1cc(C(F)(F)F)n(C)n1)c1cc(=O)[n-]c(N2CCC(C)CC2)n1	ZINC000019497009	558895956	/nfs/dbraw/zinc/89/59/56/558895956.db2.gz	DBCUZMPOFSUAQQ-LLVKDONJSA-N	-1	3	412.416	2.250	40	0		HEABHM
CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccs1)C2	ZINC000019498839	558897071	/nfs/dbraw/zinc/89/70/71/558897071.db2.gz	SMYXJUWVAIAGOO-OAHLLOKOSA-N	-1	3	400.504	2.494	40	0		HEABHM
CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccnc1)C2	ZINC000019501405	558899458	/nfs/dbraw/zinc/89/94/58/558899458.db2.gz	ACMGRIGFNXZEEL-SFHVURJKSA-N	-1	3	409.490	2.217	40	0		HEABHM
COc1ccc(CN2CCC[C@H](c3nc4c(c(=O)[n-]3)CN(C(=O)C3CC3)CC4)C2)cc1	ZINC000019555210	558918146	/nfs/dbraw/zinc/91/81/46/558918146.db2.gz	MHHUIOSUSOPUIY-SFHVURJKSA-N	-1	3	422.529	2.453	40	0		HEABHM
COc1cccc(C(=O)N2CC[C@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)c1	ZINC000019564249	558924247	/nfs/dbraw/zinc/92/42/47/558924247.db2.gz	RADFIRKSZVTACH-HNNXBMFYSA-N	-1	3	406.442	2.479	40	0		HEABHM
COc1ccccc1N1C[C@@H](c2cc(=O)[n-]c(NCCc3ccccn3)n2)CC1=O	ZINC000019571091	558929739	/nfs/dbraw/zinc/92/97/39/558929739.db2.gz	LBXUFUSUBMSZJV-HNNXBMFYSA-N	-1	3	405.458	2.349	40	0		HEABHM
Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019571502	558930114	/nfs/dbraw/zinc/93/01/14/558930114.db2.gz	DDIOEHUXOJKXTF-HNNXBMFYSA-N	-1	3	414.462	2.458	40	0		HEABHM
CC(C)c1cc(C(=O)N(C)CCOc2ccc(F)cc2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714534	558974493	/nfs/dbraw/zinc/97/44/93/558974493.db2.gz	NCRDGUOCTKAPCB-UHFFFAOYSA-N	-1	3	414.437	2.035	40	0		HEABHM
CC(C)c1cc(C(=O)Nc2cccc(-n3cccn3)c2)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714537	558974644	/nfs/dbraw/zinc/97/46/44/558974644.db2.gz	UKFYCGIZVDERNC-UHFFFAOYSA-N	-1	3	404.430	2.183	40	0		HEABHM
C[C@H]1C[C@H]1C(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2F)C3)C1	ZINC000072399122	558976658	/nfs/dbraw/zinc/97/66/58/558976658.db2.gz	LGDYXTVNKUNWID-GRDNDAEWSA-N	-1	3	424.476	2.079	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@H]4C[C@H]4C)C3)[n-]c(=O)c2C1	ZINC000072399138	558976883	/nfs/dbraw/zinc/97/68/83/558976883.db2.gz	UBJARVAUGANOPS-NJAFHUGGSA-N	-1	3	422.529	2.309	40	0		HEABHM
COc1ccccc1CNc1nc(Cn2nc(OC)c3ccccc3c2=O)cc(=O)[n-]1	ZINC000019717536	558980362	/nfs/dbraw/zinc/98/03/62/558980362.db2.gz	QYGQDRXGBBNMAN-UHFFFAOYSA-N	-1	3	419.441	2.157	40	0		HEABHM
COc1cccc(NC(=O)C([O-])=C(C(C)=O)c2nc3ccc(Cl)cc3[nH]c2=O)c1	ZINC000073274851	558986118	/nfs/dbraw/zinc/98/61/18/558986118.db2.gz	DIYOZQSDQNTJCS-INIZCTEOSA-N	-1	3	413.817	2.466	40	0		HEABHM
O=C(OC1=C([O-])N(c2ccncc2)C(=O)[C@@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409305628	560708907	/nfs/dbraw/zinc/70/89/07/560708907.db2.gz	NFWRRDJVZUFUMR-KDURUIRLSA-N	-1	3	416.389	2.406	40	0		HEABHM
O=C(OC1=C([O-])N(c2ccncc2)C(=O)[C@H]1OC(=O)c1ccccc1)c1ccccc1	ZINC000409305628	560708909	/nfs/dbraw/zinc/70/89/09/560708909.db2.gz	NFWRRDJVZUFUMR-KDURUIRLSA-N	-1	3	416.389	2.406	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)c(C)c2)cc1OC	ZINC000223246514	568542454	/nfs/dbraw/zinc/54/24/54/568542454.db2.gz	QYKPWXNJHPFWFZ-UHFFFAOYSA-N	-1	3	408.476	2.280	40	0		HEABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(C)cc3)no2)cc1	ZINC000223657378	568555286	/nfs/dbraw/zinc/55/52/86/568555286.db2.gz	WJUUAJBUAPGHLC-UHFFFAOYSA-N	-1	3	401.444	2.451	40	0		HEABHM
CC[C@@H]1CCCCN1CCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1	ZINC000225842985	568679784	/nfs/dbraw/zinc/67/97/84/568679784.db2.gz	DFWQQHQSPJAEJC-CYBMUJFWSA-N	-1	3	417.601	2.456	40	0		HEABHM
Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@@]4(Cc5c([nH]c(=O)[n-]c5=O)O4)CC3)c2c1	ZINC000257203152	568777195	/nfs/dbraw/zinc/77/71/95/568777195.db2.gz	AOWRCAREPFJFOU-QFIPXVFZSA-N	-1	3	422.441	2.450	40	0		HEABHM
Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@]4(Cc5c([nH]c(=O)[n-]c5=O)O4)CC3)c2c1	ZINC000257203151	568777200	/nfs/dbraw/zinc/77/72/00/568777200.db2.gz	AOWRCAREPFJFOU-JOCHJYFZSA-N	-1	3	422.441	2.450	40	0		HEABHM
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCOC)c(C)c2)cc1	ZINC000007362038	569337336	/nfs/dbraw/zinc/33/73/36/569337336.db2.gz	LVOZRRBLVBNNGO-UHFFFAOYSA-N	-1	3	422.503	2.336	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21	ZINC000139082366	569354320	/nfs/dbraw/zinc/35/43/20/569354320.db2.gz	YJBZJDFIHHFIGG-QWHCGFSZSA-N	-1	3	411.462	2.079	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@H]4C)[n-]c(=O)c32)c1	ZINC000139090687	569354394	/nfs/dbraw/zinc/35/43/94/569354394.db2.gz	TZOJPZUYANWWFG-IUODEOHRSA-N	-1	3	411.462	2.222	40	0		HEABHM
C[C@@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)cc2)C1	ZINC000012117091	132354364	/nfs/dbraw/zinc/35/43/64/132354364.db2.gz	KXYPVXJZQMBTRS-CYBMUJFWSA-N	-1	3	414.487	2.254	40	0		HEABHM
CCOC(=O)C1CCN(C(=O)Cc2cnc(-c3ccc(Cl)cc3)[n-]c2=O)CC1	ZINC000019937668	558312453	/nfs/dbraw/zinc/31/24/53/558312453.db2.gz	BVFQFMDXFWOBKR-UHFFFAOYSA-N	-1	3	403.866	2.435	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610266	558501745	/nfs/dbraw/zinc/50/17/45/558501745.db2.gz	PTSREBUHLPIHRU-ZDUSSCGKSA-N	-1	3	411.462	2.079	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)Cc3cccs3)[n-]c2=O)C1	ZINC000019018974	558837457	/nfs/dbraw/zinc/83/74/57/558837457.db2.gz	FHDXDTBWXQFZIV-KRWDZBQOSA-N	-1	3	400.504	2.445	40	0		HEABHM
O=C(c1cccnc1)N1CCc2c(=O)[n-]c([C@H]3CCCCN3C(=O)C3CCC3)nc2C1	ZINC000019337742	558870510	/nfs/dbraw/zinc/87/05/10/558870510.db2.gz	ZTXJSJBEGXAUEK-LJQANCHMSA-N	-1	3	421.501	2.217	40	0		HEABHM
O=C(c1cccs1)N1CCc2nc([C@H]3CCCN3C3CCOCC3)[n-]c(=O)c2C1	ZINC000019342830	558872188	/nfs/dbraw/zinc/87/21/88/558872188.db2.gz	FDLWTHFDXGATGG-QGZVFWFLSA-N	-1	3	414.531	2.346	40	0		HEABHM
O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)C1CC1)C2	ZINC000019342677	558872282	/nfs/dbraw/zinc/87/22/82/558872282.db2.gz	OLSCHMMMFBYIEQ-INIZCTEOSA-N	-1	3	412.515	2.494	40	0		HEABHM
O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019405560	558884984	/nfs/dbraw/zinc/88/49/84/558884984.db2.gz	YBKNKFNRZHDIPD-NSHDSACASA-N	-1	3	404.352	2.204	40	0		HEABHM
COc1ccccc1CN1CCc2nc([C@H]3CCN(C(=O)[C@@H]4C[C@@H]4C)C3)[n-]c(=O)c2C1	ZINC000019462762	558894146	/nfs/dbraw/zinc/89/41/46/558894146.db2.gz	UBJARVAUGANOPS-RYQLBKOJSA-N	-1	3	422.529	2.309	40	0		HEABHM
CCCC(=O)N1CCc2c(nc([C@@H]3CCCCN3C(=O)c3cccnc3)[n-]c2=O)C1	ZINC000019501668	558899634	/nfs/dbraw/zinc/89/96/34/558899634.db2.gz	IXASCBYCFOTBMZ-SFHVURJKSA-N	-1	3	409.490	2.217	40	0		HEABHM
COc1ccccc1CN1CCc2c(=O)[n-]c([C@H]3CCN(C(=O)C4CC4)C3)nc2C1	ZINC000019570667	558929403	/nfs/dbraw/zinc/92/94/03/558929403.db2.gz	RHLMTFCEBDASMN-KRWDZBQOSA-N	-1	3	408.502	2.063	40	0		HEABHM
CN1CCc2nc([C@@H]3CCCN(C(=O)COc4cccc(F)c4)C3)[n-]c(=O)c2C1	ZINC000019590245	558940957	/nfs/dbraw/zinc/94/09/57/558940957.db2.gz	GSQZYCWWFSZOBN-CQSZACIVSA-N	-1	3	400.454	2.094	40	0		HEABHM
C[C@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4nccnc4c2)C3)C[C@H](C)O1	ZINC000072347312	558944227	/nfs/dbraw/zinc/94/42/27/558944227.db2.gz	NJBMACVVIPFHMH-GJZGRUSLSA-N	-1	3	406.490	2.297	40	0		HEABHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccc4[nH]cnc4c2)CC3)C1	ZINC000019654699	558947943	/nfs/dbraw/zinc/94/79/43/558947943.db2.gz	PQMOYKYJNRGHHH-CQSZACIVSA-N	-1	3	406.490	2.010	40	0		HEABHM
C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2ccc4nc[nH]c4c2)CC3)C1	ZINC000019654699	558947946	/nfs/dbraw/zinc/94/79/46/558947946.db2.gz	PQMOYKYJNRGHHH-CQSZACIVSA-N	-1	3	406.490	2.010	40	0		HEABHM
CC(C)c1cc(C(=O)Nc2ccc3c(c2)N(C)CCC3)c2c(=O)[n-]c(=O)n(C)c2n1	ZINC000019714542	558974486	/nfs/dbraw/zinc/97/44/86/558974486.db2.gz	BJMADTZLMWGHKN-UHFFFAOYSA-N	-1	3	407.474	2.380	40	0		HEABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139077226	559288363	/nfs/dbraw/zinc/28/83/63/559288363.db2.gz	JXCGBPKYSFDESV-MLGOLLRUSA-N	-1	3	423.473	2.273	40	0		HEABHM
O=C(N1CCC[C@@H](c2nc3c(nnn3Cc3ccccc3)c(=O)[n-]2)C1)C(F)(F)F	ZINC000018192657	560870916	/nfs/dbraw/zinc/87/09/16/560870916.db2.gz	GINFMPKWXNNURB-GFCCVEGCSA-N	-1	3	406.368	2.244	40	0		HEABHM
COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1N1C(=O)CCC1=O	ZINC000223304973	568544776	/nfs/dbraw/zinc/54/47/76/568544776.db2.gz	XSQNRWBKKVICDI-UHFFFAOYSA-N	-1	3	417.443	2.108	40	0		HEABHM
CCc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1OC	ZINC000223688676	568556342	/nfs/dbraw/zinc/55/63/42/568556342.db2.gz	HBTLNEKIRDKFSC-UHFFFAOYSA-N	-1	3	417.531	2.446	40	0		HEABHM
COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)c1	ZINC000223766561	568558544	/nfs/dbraw/zinc/55/85/44/568558544.db2.gz	CJHXNFQOVZVFSY-UHFFFAOYSA-N	-1	3	402.432	2.182	40	0		HEABHM
COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)C2)o1	ZINC000257305395	568806078	/nfs/dbraw/zinc/80/60/78/568806078.db2.gz	SPUYEPHXOZIXKW-AWEZNQCLSA-N	-1	3	410.430	2.495	40	0		HEABHM
COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C	ZINC000007361954	569337352	/nfs/dbraw/zinc/33/73/52/569337352.db2.gz	ZUEMIKHJKJGWOD-HNNXBMFYSA-N	-1	3	422.503	2.334	40	0		HEABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1ccc(C(N)=O)cc1	ZINC000033375911	569350489	/nfs/dbraw/zinc/35/04/89/569350489.db2.gz	QJVZOCICEKENKH-SECBINFHSA-N	-1	3	416.286	2.398	40	0		HEABHM
Cc1nnc([N-]c2cc([C@@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1	ZINC000585292529	571310168	/nfs/dbraw/zinc/31/01/68/571310168.db2.gz	ODFRPYRMHYIIBP-DYLHUKMJSA-N	-1	3	401.540	2.860	40	0		HEABHM
Cc1nnc([N-]c2cc([C@H]3CCCCN3C(=O)/C=C/CN(C)C)nc(C)n2)s1	ZINC000585292532	571310326	/nfs/dbraw/zinc/31/03/26/571310326.db2.gz	ODFRPYRMHYIIBP-MNDMWVCDSA-N	-1	3	401.540	2.860	40	0		HEABHM
O=C(COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1)NC[C@@H]1CCCO1	ZINC000408536185	557328469	/nfs/dbraw/zinc/32/84/69/557328469.db2.gz	YMMYIZHURYXUPP-KRWDZBQOSA-N	-1	3	408.451	2.301	40	0		HEABHM
C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NCCCn1ccnc1	ZINC000408591110	557503178	/nfs/dbraw/zinc/50/31/78/557503178.db2.gz	IWCKHRVIQOWRLS-LLVKDONJSA-N	-1	3	405.307	2.063	40	0		HEABHM
C[C@H](Oc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(=O)N1CCOCC1	ZINC000408612110	557530181	/nfs/dbraw/zinc/53/01/81/557530181.db2.gz	YLNKTPKQCHGFHO-AWEZNQCLSA-N	-1	3	408.451	2.253	40	0		HEABHM
O=C([C@@H]1CCCO1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019014894	558836960	/nfs/dbraw/zinc/83/69/60/558836960.db2.gz	ZEAJTFDOYZDYTO-KXBFYZLASA-N	-1	3	400.523	2.368	40	0		HEABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)c2cccc(C(F)(F)F)c2)c(=O)[n-]1	ZINC000019286504	558860380	/nfs/dbraw/zinc/86/03/80/558860380.db2.gz	KDSWPJHUZVNARD-CYBMUJFWSA-N	-1	3	406.368	2.147	40	0		HEABHM
Cn1nc(C(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1C(F)(F)F	ZINC000019288728	558861560	/nfs/dbraw/zinc/86/15/60/558861560.db2.gz	DYCJFMILWRXTAG-GFCCVEGCSA-N	-1	3	418.379	2.214	40	0		HEABHM
O=C(CCn1cccn1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019406080	558884965	/nfs/dbraw/zinc/88/49/65/558884965.db2.gz	AZJGONYILZASJX-QGZVFWFLSA-N	-1	3	424.549	2.063	40	0		HEABHM
CC(C)CC(=O)N[C@@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1	ZINC000019446624	558886353	/nfs/dbraw/zinc/88/63/53/558886353.db2.gz	GEAWJCDQRWBPFL-SFHVURJKSA-N	-1	3	402.470	2.192	40	0		HEABHM
COc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(C)C)CC3)cc1	ZINC000019448261	558887219	/nfs/dbraw/zinc/88/72/19/558887219.db2.gz	VTJCLEDPELEUOK-HXUWFJFHSA-N	-1	3	410.518	2.451	40	0		HEABHM
CCOCc1ccc(C(=O)N2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1	ZINC000019531274	558911911	/nfs/dbraw/zinc/91/19/11/558911911.db2.gz	BSFUBHJFLBSTBQ-FQEVSTJZSA-N	-1	3	424.501	2.188	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)c4oc5ccccc5c4C)C3)[n-]c2=O)C1	ZINC000019566012	558925874	/nfs/dbraw/zinc/92/58/74/558925874.db2.gz	SOTZKNDNDCBFHH-OAHLLOKOSA-N	-1	3	420.469	2.359	40	0		HEABHM
COc1ccccc1CN1CCC[C@H](c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)C1	ZINC000019570351	558929091	/nfs/dbraw/zinc/92/90/91/558929091.db2.gz	UXUCBTYCRDQUMN-SFHVURJKSA-N	-1	3	422.529	2.453	40	0		HEABHM
Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019571499	558930097	/nfs/dbraw/zinc/93/00/97/558930097.db2.gz	DDIOEHUXOJKXTF-OAHLLOKOSA-N	-1	3	414.462	2.458	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCN(C(=O)c4c(C)oc5c4CCCC5)C3)[n-]c2=O)C1	ZINC000019581191	558936884	/nfs/dbraw/zinc/93/68/84/558936884.db2.gz	HRWQZKCWOVGWPP-OAHLLOKOSA-N	-1	3	424.501	2.084	40	0		HEABHM
COc1ccc(CN2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1OC	ZINC000072347245	558943781	/nfs/dbraw/zinc/94/37/81/558943781.db2.gz	HNWYZLRSMBNKMP-GASCZTMLSA-N	-1	3	414.506	2.371	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccc4nccnc4c2)C3)C[C@H](C)O1	ZINC000072347311	558944053	/nfs/dbraw/zinc/94/40/53/558944053.db2.gz	NJBMACVVIPFHMH-GASCZTMLSA-N	-1	3	406.490	2.297	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1n[n-]c(NC(=O)Nc2ccc(Cl)cc2)n1	ZINC000104247843	559159493	/nfs/dbraw/zinc/15/94/93/559159493.db2.gz	PJEVBQPAYMGUAF-DTWKUNHWSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1nnc(NC(=O)Nc2ccc(Cl)cc2)[n-]1	ZINC000104247843	559159495	/nfs/dbraw/zinc/15/94/95/559159495.db2.gz	PJEVBQPAYMGUAF-DTWKUNHWSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)C(O)=C(C)C(=O)[C@@H](C)c1nc(NC(=O)Nc2ccc(Cl)cc2)n[n-]1	ZINC000104247843	559159496	/nfs/dbraw/zinc/15/94/96/559159496.db2.gz	PJEVBQPAYMGUAF-DTWKUNHWSA-N	-1	3	407.814	2.153	40	0		HEABHM
COC(=O)[C@H]1c2sc(=O)[nH]c2S[C@H]2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000101174772	560728230	/nfs/dbraw/zinc/72/82/30/560728230.db2.gz	NENBHCDKYAJCPI-FXPVBKGRSA-N	-1	3	410.860	2.010	40	0		HEABHM
NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2F)cc1	ZINC000223297064	568544376	/nfs/dbraw/zinc/54/43/76/568544376.db2.gz	KKZUUMPXIMIUON-UHFFFAOYSA-N	-1	3	403.229	2.253	40	0		HEABHM
CCOc1ccc([C@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1OCC	ZINC000223853072	568560919	/nfs/dbraw/zinc/56/09/19/568560919.db2.gz	YFVYJOIXGARISY-JTQLQIEISA-N	-1	3	414.509	2.333	40	0		HEABHM
O=S(=O)([N-]Cc1ccnc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1	ZINC000224222146	569056483	/nfs/dbraw/zinc/05/64/83/569056483.db2.gz	VNUFCTXWMWOHJW-UHFFFAOYSA-N	-1	3	403.291	2.099	40	0		HEABHM
CC(C)N1CCc2c(nc3cc([C@@H]4CCCCN4C(=O)[C@H]4CCCO4)[n-]n3c2=O)C1	ZINC000248172755	569316694	/nfs/dbraw/zinc/31/66/94/569316694.db2.gz	SYPXEONJZDDMNS-RBUKOAKNSA-N	-1	3	413.522	2.434	40	0		HEABHM
COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)c(C)c1	ZINC000010359813	569344132	/nfs/dbraw/zinc/34/41/32/569344132.db2.gz	ODVBGDKHOVPXPH-UHFFFAOYSA-N	-1	3	422.459	2.423	40	0		HEABHM
CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NC[C@H]3CCCO3)sc2c1	ZINC000059489657	569352378	/nfs/dbraw/zinc/35/23/78/569352378.db2.gz	KRXYHOGTXMQZNT-LLVKDONJSA-N	-1	3	401.535	2.055	40	0		HEABHM
CCCS(=O)(=O)[N-][C@H]1CO[C@@H]2[C@H](OC(=O)Nc3cccc4ccccc43)CO[C@H]12	ZINC000004235453	291204007	/nfs/dbraw/zinc/20/40/07/291204007.db2.gz	AKROWAACESISIE-WJFTUGDTSA-N	-1	3	420.487	2.253	40	0	biogenic,in-vitro	HEABHM
COc1ccc(C(=O)N2CCc3c(=O)[n-]c(C)nc3C2)cc1Cn1nc(C)cc1C	ZINC000012155829	558340229	/nfs/dbraw/zinc/34/02/29/558340229.db2.gz	REBJNCCKCFDXCU-UHFFFAOYSA-N	-1	3	407.474	2.147	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4CCCC4)nc3C2)cc1Cn1cccn1	ZINC000012182554	558343432	/nfs/dbraw/zinc/34/34/32/558343432.db2.gz	LNHPKCKTDFGPMA-UHFFFAOYSA-N	-1	3	420.517	2.182	40	0		HEABHM
O=C([C@@H]1CCCO1)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019014891	558836949	/nfs/dbraw/zinc/83/69/49/558836949.db2.gz	ZEAJTFDOYZDYTO-BEFAXECRSA-N	-1	3	400.523	2.368	40	0		HEABHM
COc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1	ZINC000019018951	558837249	/nfs/dbraw/zinc/83/72/49/558837249.db2.gz	VKWLBZVFTRBWLI-FQEVSTJZSA-N	-1	3	424.501	2.392	40	0		HEABHM
COCCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C3CCN(C(=O)C(C)C)CC3)n2)C1	ZINC000019085310	558841128	/nfs/dbraw/zinc/84/11/28/558841128.db2.gz	ZAWBSOYXPGAOKX-QGZVFWFLSA-N	-1	3	418.538	2.287	40	0		HEABHM
Cc1cccc(CN2CC[C@@H](c3nc4c(c(=O)[n-]3)CCN(C(=O)C3CCC3)C4)C2)n1	ZINC000019236155	558855148	/nfs/dbraw/zinc/85/51/48/558855148.db2.gz	VUMHVLJIGXQOHZ-QGZVFWFLSA-N	-1	3	407.518	2.148	40	0		HEABHM
Cc1nc([C@H](Cc2c[nH]c3ccccc23)NC(=O)COc2ccccn2)cc(=O)[n-]1	ZINC000019240981	558859586	/nfs/dbraw/zinc/85/95/86/558859586.db2.gz	MDFGKAHGGNYIBS-SFHVURJKSA-N	-1	3	403.442	2.434	40	0		HEABHM
O=C(c1cccnc1)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(C2CCCCC2)C3)C1	ZINC000019337363	558870389	/nfs/dbraw/zinc/87/03/89/558870389.db2.gz	XTJVCWHOLFKIFW-KRWDZBQOSA-N	-1	3	407.518	2.485	40	0		HEABHM
CC(C)N1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccccc3)[n-]c(=O)c2C1	ZINC000019448206	558887027	/nfs/dbraw/zinc/88/70/27/558887027.db2.gz	RMSRTAHRCAQJTN-LJQANCHMSA-N	-1	3	416.547	2.452	40	0		HEABHM
CCOc1ccc(CN2CCc3nc(-c4cnccn4)[n-]c(=O)c3CC2)cc1OC	ZINC000019533918	558913569	/nfs/dbraw/zinc/91/35/69/558913569.db2.gz	BESOCSHJVAAQQK-UHFFFAOYSA-N	-1	3	407.474	2.235	40	0		HEABHM
CCSCc1nc2c(nnn2C2CCN(Cc3ccnc(C)n3)CC2)c(=O)[n-]1	ZINC000072337405	558937914	/nfs/dbraw/zinc/93/79/14/558937914.db2.gz	FLCQXHLXHXWTJE-UHFFFAOYSA-N	-1	3	400.512	2.116	40	0		HEABHM
COc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[n-]c3=O)C2)cc1OC	ZINC000072347246	558943916	/nfs/dbraw/zinc/94/39/16/558943916.db2.gz	HNWYZLRSMBNKMP-GJZGRUSLSA-N	-1	3	414.506	2.371	40	0		HEABHM
COCCc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)cn1	ZINC000019593844	558945094	/nfs/dbraw/zinc/94/50/94/558945094.db2.gz	LFYPOIDUTYOSDT-GOSISDBHSA-N	-1	3	412.538	2.119	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1	ZINC000040388833	558947164	/nfs/dbraw/zinc/94/71/64/558947164.db2.gz	VOTLBBVNVMPCJL-WFASDCNBSA-N	-1	3	411.462	2.079	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@@H]4C[C@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000072399223	558976825	/nfs/dbraw/zinc/97/68/25/558976825.db2.gz	QBSCHBALMCVDRS-BPQIPLTHSA-N	-1	3	414.550	2.494	40	0		HEABHM
C[C@@H]1c2nc(CC(=O)NCc3cccnc3)cn2CCN1C(=O)c1cccc([O-])c1	ZINC000585098612	559024291	/nfs/dbraw/zinc/02/42/91/559024291.db2.gz	VOXWLJREJXRLHT-OAHLLOKOSA-N	-1	3	405.458	2.060	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCCC[C@@H]3C)[n-]c(=O)c21	ZINC000139102542	559288387	/nfs/dbraw/zinc/28/83/87/559288387.db2.gz	VHSPQNJRNIOPLK-QWHCGFSZSA-N	-1	3	411.462	2.222	40	0		HEABHM
COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc(OCC(N)=O)cc3)ccc2s1	ZINC000223300120	568544490	/nfs/dbraw/zinc/54/44/90/568544490.db2.gz	AIOJWLPFINRKSM-UHFFFAOYSA-N	-1	3	420.468	2.353	40	0		HEABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2c(ccc([O-])c2C(=O)NCCc2ccccn2)[C@@H]1O	ZINC000257238217	568787178	/nfs/dbraw/zinc/78/71/78/568787178.db2.gz	HKADRKSNZSTEJT-VYQNVILESA-N	-1	3	424.497	2.351	40	0		HEABHM
O=C(c1cc(-c2ccccc2)n[nH]1)N1CCC[C@@]2(Cc3c([nH]c(=O)[n-]c3=O)O2)CC1	ZINC000257315696	568808937	/nfs/dbraw/zinc/80/89/37/568808937.db2.gz	VCLJTZJITBMCDU-NRFANRHFSA-N	-1	3	407.430	2.278	40	0		HEABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1	ZINC000224184122	569056145	/nfs/dbraw/zinc/05/61/45/569056145.db2.gz	KIUZSCRSHSXHFQ-UHFFFAOYSA-N	-1	3	416.425	2.119	40	0		HEABHM
COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C	ZINC000007361914	569337358	/nfs/dbraw/zinc/33/73/58/569337358.db2.gz	CHQFZZPYUQVFSN-UHFFFAOYSA-N	-1	3	422.503	2.336	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)c(C)c2)cc1	ZINC000033688222	569351002	/nfs/dbraw/zinc/35/10/02/569351002.db2.gz	PZHYUVGIVAUSGF-UHFFFAOYSA-N	-1	3	404.488	2.342	40	0		HEABHM
CC(C)n1c(CN2CCc3c(=O)[n-]c(N4CCOCC4)nc3C2)nc2ccccc21	ZINC000012145293	132355140	/nfs/dbraw/zinc/35/51/40/132355140.db2.gz	GTLBVKZIKLIAHK-UHFFFAOYSA-N	-1	3	408.506	2.095	40	0		HEABHM
COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C	ZINC000408674759	557674510	/nfs/dbraw/zinc/67/45/10/557674510.db2.gz	CFBCXZBJLPKAEV-AWEZNQCLSA-N	-1	3	410.467	2.465	40	0		HEABHM
Cc1noc(C)c1CCC(=O)N1C[C@@H]2c3nc(N4CCCC4)[n-]c(=O)c3CC[C@@H]2C1	ZINC000012120103	558330289	/nfs/dbraw/zinc/33/02/89/558330289.db2.gz	SKRUWJQPMUGTPG-QAPCUYQASA-N	-1	3	411.506	2.096	40	0		HEABHM
COc1ccccc1NC(=O)C1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21	ZINC000022610264	558501672	/nfs/dbraw/zinc/50/16/72/558501672.db2.gz	PTSREBUHLPIHRU-CYBMUJFWSA-N	-1	3	411.462	2.079	40	0		HEABHM
CC(=O)N1CCC(C(=O)N2CC[C@@H](c3nc(-c4ccsc4)cc(=O)[n-]3)C2)CC1	ZINC000019016709	558837125	/nfs/dbraw/zinc/83/71/25/558837125.db2.gz	OGDACULQAPUGBU-OAHLLOKOSA-N	-1	3	400.504	2.485	40	0		HEABHM
COc1ccc(CN2CCC[C@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)cc1OC	ZINC000019019039	558837483	/nfs/dbraw/zinc/83/74/83/558837483.db2.gz	YIBHHOMMNJKWNX-SFHVURJKSA-N	-1	3	412.490	2.029	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCCN3C(=O)[C@H](C)Oc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019210872	558848274	/nfs/dbraw/zinc/84/82/74/558848274.db2.gz	MMOXUEXSYGXIQB-MGPUTAFESA-N	-1	3	424.501	2.114	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](C)Oc3ccc(C)cc3)[n-]c2=O)C1	ZINC000019210875	558848391	/nfs/dbraw/zinc/84/83/91/558848391.db2.gz	MMOXUEXSYGXIQB-QRWLVFNGSA-N	-1	3	424.501	2.114	40	0		HEABHM
Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019288779	558861565	/nfs/dbraw/zinc/86/15/65/558861565.db2.gz	QFTLAEUCZGIBPZ-LBPRGKRZSA-N	-1	3	418.379	2.214	40	0		HEABHM
O=c1cc(CCn2ncc3c2CCCC3)nc(NC[C@@H]2COc3ccccc3O2)[n-]1	ZINC000019375720	558881867	/nfs/dbraw/zinc/88/18/67/558881867.db2.gz	VJZNIRCYNYCVTP-QGZVFWFLSA-N	-1	3	407.474	2.340	40	0		HEABHM
O=C(c1ccncc1)N1CCc2c(=O)[n-]c([C@@H]3CCCCN3C(=O)C3CCC3)nc2C1	ZINC000019404921	558884638	/nfs/dbraw/zinc/88/46/38/558884638.db2.gz	WBUVRWYJRHRRSW-IBGZPJMESA-N	-1	3	421.501	2.217	40	0		HEABHM
CCS(=O)(=O)N1CCC[C@@H](c2nc3c(c(=O)[n-]2)CN(Cc2cccs2)CC3)C1	ZINC000019520311	558901220	/nfs/dbraw/zinc/90/12/20/558901220.db2.gz	FYWFIXMTHBBLIW-CQSZACIVSA-N	-1	3	422.576	2.331	40	0		HEABHM
COc1cc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3CC2)cc(OC)c1OC	ZINC000019549892	558914600	/nfs/dbraw/zinc/91/46/00/558914600.db2.gz	QJONMBVJIOLPRL-UHFFFAOYSA-N	-1	3	422.485	2.459	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[n-]3)C2)cc1	ZINC000019556972	558919243	/nfs/dbraw/zinc/91/92/43/558919243.db2.gz	QOLKOPGLFOAKRR-OAHLLOKOSA-N	-1	3	412.471	2.019	40	0		HEABHM
CC(=O)N1CCc2c(nc([C@H]3CCN(C(=O)c4oc5ccccc5c4C)C3)[n-]c2=O)C1	ZINC000019566016	558925843	/nfs/dbraw/zinc/92/58/43/558925843.db2.gz	SOTZKNDNDCBFHH-HNNXBMFYSA-N	-1	3	420.469	2.359	40	0		HEABHM
COCCOc1cccc(CN2CCc3nc(-c4ccncc4)[n-]c(=O)c3CC2)c1	ZINC000019593809	558944907	/nfs/dbraw/zinc/94/49/07/558944907.db2.gz	XGXNXSJKZRIFKJ-UHFFFAOYSA-N	-1	3	406.486	2.458	40	0		HEABHM
CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(C2CCOCC2)CC4)C1	ZINC000100233624	559132745	/nfs/dbraw/zinc/13/27/45/559132745.db2.gz	XTZRTTGOPMMXBY-HNNXBMFYSA-N	-1	3	413.522	2.088	40	0		HEABHM
Cc1cccc(CN(Cc2ccccc2)C(=O)Cc2c(C)nc3[n-]cnn3c2=O)n1	ZINC000100769980	559140329	/nfs/dbraw/zinc/14/03/29/559140329.db2.gz	DTWVXVPTPBYHJL-UHFFFAOYSA-N	-1	3	402.458	2.201	40	0		HEABHM
COc1cccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1	ZINC000139079237	559288442	/nfs/dbraw/zinc/28/84/42/559288442.db2.gz	VOTLBBVNVMPCJL-IUODEOHRSA-N	-1	3	411.462	2.079	40	0		HEABHM
Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccco4)C2)[n-]c3=O)cc1	ZINC000005738600	560627335	/nfs/dbraw/zinc/62/73/35/560627335.db2.gz	YEWYWVBIWCJYOA-MRXNPFEDSA-N	-1	3	418.457	2.484	40	0		HEABHM
CC[C@@H](C)[C@H](N)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1	ZINC000100778693	560726541	/nfs/dbraw/zinc/72/65/41/560726541.db2.gz	XDJRPBOTYGEWOQ-LGKHCZOZSA-N	-1	3	417.550	2.095	40	0		HEABHM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCC2)s1	ZINC000223222327	568541511	/nfs/dbraw/zinc/54/15/11/568541511.db2.gz	QCRILOZEOWFOFB-UHFFFAOYSA-N	-1	3	423.564	2.253	40	0		HEABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(OC)c3)no2)cc1	ZINC000223657609	568555244	/nfs/dbraw/zinc/55/52/44/568555244.db2.gz	NDYXUOFGKRQZBB-UHFFFAOYSA-N	-1	3	417.443	2.151	40	0		HEABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3cccc(C)c3)no2)cc1	ZINC000223657289	568555258	/nfs/dbraw/zinc/55/52/58/568555258.db2.gz	NCXIWRXZEZSMEU-UHFFFAOYSA-N	-1	3	401.444	2.451	40	0		HEABHM
CCOc1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1OCC	ZINC000224112255	568570426	/nfs/dbraw/zinc/57/04/26/568570426.db2.gz	VDZRQCQDHRIEKN-UHFFFAOYSA-N	-1	3	414.509	2.163	40	0		HEABHM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)ccc1OC	ZINC000225000349	568608194	/nfs/dbraw/zinc/60/81/94/568608194.db2.gz	DOLXKDZCRHDJAY-UHFFFAOYSA-N	-1	3	419.503	2.082	40	0		HEABHM
COc1ccc2c(c1)[C@H]([N-]S(=O)(=O)c1nnc(NC(C)=O)s1)CC(C)(C)O2	ZINC000225358862	568631381	/nfs/dbraw/zinc/63/13/81/568631381.db2.gz	ASHYCCYRAAKNNZ-GFCCVEGCSA-N	-1	3	412.493	2.086	40	0		HEABHM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]CCCN3CCCCC3)s2)c1	ZINC000225844294	568679969	/nfs/dbraw/zinc/67/99/69/568679969.db2.gz	MYKALXOIKGISAY-UHFFFAOYSA-N	-1	3	423.564	2.253	40	0		HEABHM
Cc1nc(COC[C@@H]2CCS(=O)(=O)C23CN(C(=O)c2cccc([O-])c2)C3)cs1	ZINC000306125984	568888627	/nfs/dbraw/zinc/88/86/27/568888627.db2.gz	DIHNCDIWYZGEPC-HNNXBMFYSA-N	-1	3	422.528	2.003	40	0		HEABHM
O=C(c1cc(=O)[n-]c(-c2ccc(F)cc2)n1)N1CC[C@]2(C1)COCc1cncnc12	ZINC000306137448	568899373	/nfs/dbraw/zinc/89/93/73/568899373.db2.gz	QWMLKRWMVKNSIW-NRFANRHFSA-N	-1	3	407.405	2.092	40	0		HEABHM
Cc1cc(N2CCOCC2)nc(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)n1	ZINC000224182547	569056151	/nfs/dbraw/zinc/05/61/51/569056151.db2.gz	SEJBOSBMFHMLCP-UHFFFAOYSA-N	-1	3	417.318	2.407	40	0		HEABHM
CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NC[C@@H]3CCCO3)sc2c1	ZINC000059489656	569352421	/nfs/dbraw/zinc/35/24/21/569352421.db2.gz	KRXYHOGTXMQZNT-NSHDSACASA-N	-1	3	401.535	2.055	40	0		HEABHM
CN(C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)CCC(=O)[O-])C1	ZINC000004237223	291204990	/nfs/dbraw/zinc/20/49/90/291204990.db2.gz	ZGTVSLJMDUBCRT-FUHWJXTLSA-N	-1	3	423.513	2.387	40	0	biogenic,in-vitro	HEABHM
C[C@H]1CCCN(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)[nH]c(=O)c4c3)cc2)C1	ZINC000012117092	132354336	/nfs/dbraw/zinc/35/43/36/132354336.db2.gz	KXYPVXJZQMBTRS-ZDUSSCGKSA-N	-1	3	414.487	2.254	40	0		HEABHM
COc1cccc(-c2nc3c(s2)CN(C(=O)CC[C@@]2(C)NC(=O)[N-]C2=O)CC3)c1	ZINC000019719910	558258428	/nfs/dbraw/zinc/25/84/28/558258428.db2.gz	IJUJTFINOXIMTA-HXUWFJFHSA-N	-1	3	414.487	2.082	40	0		HEABHM
CCS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1	ZINC000019886518	558302015	/nfs/dbraw/zinc/30/20/15/558302015.db2.gz	ALAVVLQRUKWVIO-UHFFFAOYSA-N	-1	3	417.487	2.173	40	0		HEABHM
Cc1cc(=O)[n-]c(NC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)n1	ZINC000012113711	558327121	/nfs/dbraw/zinc/32/71/21/558327121.db2.gz	FTNYWTSPSAQBHI-UHFFFAOYSA-N	-1	3	416.425	2.362	40	0		HEABHM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2Cl)ccc1OC	ZINC000013683389	558567895	/nfs/dbraw/zinc/56/78/95/558567895.db2.gz	QIWCYFKOJIRWEW-UHFFFAOYSA-N	-1	3	412.851	2.296	40	0		HEABHM
CC(C)(C)C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000019081345	558839550	/nfs/dbraw/zinc/83/95/50/558839550.db2.gz	ZSICGHSHWXQFOD-QGZVFWFLSA-N	-1	3	409.490	2.485	40	0		HEABHM
Cc1nc(C[C@H](NC(=O)Cn2nnc3ccccc32)c2ccc(F)cc2)cc(=O)[n-]1	ZINC000019285372	558859911	/nfs/dbraw/zinc/85/99/11/558859911.db2.gz	YBMDPEFOASHJBP-SFHVURJKSA-N	-1	3	406.421	2.062	40	0		HEABHM
Cn1nc(C(F)(F)F)cc1C(=O)N1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[n-]2)C1	ZINC000019288778	558861571	/nfs/dbraw/zinc/86/15/71/558861571.db2.gz	QFTLAEUCZGIBPZ-GFCCVEGCSA-N	-1	3	418.379	2.214	40	0		HEABHM
Cn1nc(C(=O)N2CC[C@H](c3nc(-c4ccncc4)cc(=O)[n-]3)C2)cc1C(F)(F)F	ZINC000019288732	558861627	/nfs/dbraw/zinc/86/16/27/558861627.db2.gz	REYYXDKXDAFJAM-LBPRGKRZSA-N	-1	3	418.379	2.214	40	0		HEABHM
C[C@H](C(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(C(=O)C2CC2)C3)C1)c1ccccc1	ZINC000019459012	558892912	/nfs/dbraw/zinc/89/29/12/558892912.db2.gz	BZFKXNNQOZKOFD-MAUKXSAKSA-N	-1	3	420.513	2.184	40	0		HEABHM
CCCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C3CCN(C(=O)C4CC4)CC3)n2)C1	ZINC000019501287	558899278	/nfs/dbraw/zinc/89/92/78/558899278.db2.gz	KCLTZEFDPAHQRS-KRWDZBQOSA-N	-1	3	400.523	2.392	40	0		HEABHM
Cc1nc2c(nnn2C[C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)c(=O)[n-]1	ZINC000072324972	558933339	/nfs/dbraw/zinc/93/33/39/558933339.db2.gz	XLGBJPAKUOSYCM-LLVKDONJSA-N	-1	3	404.833	2.262	40	0		HEABHM
COc1nn(Cc2cc(=O)[n-]c(N[C@H](C)c3cccnc3)n2)c(=O)c2ccccc21	ZINC000019717470	558980083	/nfs/dbraw/zinc/98/00/83/558980083.db2.gz	JSYXBGGDRNJISY-CYBMUJFWSA-N	-1	3	404.430	2.105	40	0		HEABHM
COc1nn(Cc2cc(=O)[n-]c(N[C@@H](C)c3ccncc3)n2)c(=O)c2ccccc21	ZINC000019717570	558980314	/nfs/dbraw/zinc/98/03/14/558980314.db2.gz	VLPXSYCJFSRBIH-ZDUSSCGKSA-N	-1	3	404.430	2.105	40	0		HEABHM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCCCCC2)s1	ZINC000222595850	568519818	/nfs/dbraw/zinc/51/98/18/568519818.db2.gz	FVTKLXCXDRUCSA-UHFFFAOYSA-N	-1	3	403.574	2.067	40	0		HEABHM
Cc1cc(=O)[n-]c(-c2cccc(NC(=O)CN(C3CCCCC3)S(C)(=O)=O)c2)n1	ZINC000226056305	568692490	/nfs/dbraw/zinc/69/24/90/568692490.db2.gz	HLEYQCJGJCZCMH-UHFFFAOYSA-N	-1	3	418.519	2.278	40	0		HEABHM
CC1(C)[C@@H]2C[C@H]1[C@@]1(O)[C@@H](C2)Oc2ccc(C(=O)NCCc3ccccn3)c([O-])c2[C@@H]1O	ZINC000257285592	568800045	/nfs/dbraw/zinc/80/00/45/568800045.db2.gz	PHXBQLQUDQTXLO-VYQNVILESA-N	-1	3	424.497	2.351	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C/C[C@H](O)[C@H](O)[C@](N)(CO)C(=O)[O-]	ZINC000109561929	569052129	/nfs/dbraw/zinc/05/21/29/569052129.db2.gz	ZZIKIHCNFWXKDY-ANSFIGKPSA-N	-1	3	401.544	2.309	40	0		HEABHM
COC[C@@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C	ZINC000007361959	569337400	/nfs/dbraw/zinc/33/74/00/569337400.db2.gz	ZUEMIKHJKJGWOD-OAHLLOKOSA-N	-1	3	422.503	2.334	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1	ZINC000139078233	569354387	/nfs/dbraw/zinc/35/43/87/569354387.db2.gz	GIBKOHGETGDDIY-SWLSCSKDSA-N	-1	3	411.462	2.079	40	0		HEABHM
CC(=O)c1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1	ZINC000040388793	518378812	/nfs/dbraw/zinc/37/88/12/518378812.db2.gz	JXCGBPKYSFDESV-WBMJQRKESA-N	-1	3	423.473	2.273	40	0		HEABHM
COc1ccc(NC(=O)C2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1	ZINC000040389041	524611079	/nfs/dbraw/zinc/61/10/79/524611079.db2.gz	KCEQKQMJBKZOIP-WFASDCNBSA-N	-1	3	411.462	2.222	40	0		HEABHM
COc1ccc([N-]S(=O)(=O)c2nnc(C)c(=O)n2Cc2ccccc2)cc1Cl	ZINC000032611931	524698639	/nfs/dbraw/zinc/69/86/39/524698639.db2.gz	SWSLADGLWHTVRV-UHFFFAOYSA-N	-1	3	420.878	2.458	40	0		HEABHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCN(C=O)CC3)cc2Cl)cc1	ZINC000044904999	525597456	/nfs/dbraw/zinc/59/74/56/525597456.db2.gz	SJDSUFSCWBKSKX-UHFFFAOYSA-N	-1	3	421.906	2.363	40	0		HEABHM
O=c1[nH]c2ccc(Cl)cc2c(N[C@H]2CN3CCC2CC3)c1-c1nc2ccccc2[n-]1	ZINC000035848899	558261652	/nfs/dbraw/zinc/26/16/52/558261652.db2.gz	VBIIUHUSFOLTIU-IBGZPJMESA-N	-1	3	419.916	2.041	40	0	in-vitro	HEABHM
COc1ccc(C)cc1NC(=O)C1CC(=O)Nc2nc(N3CCCCC3)[n-]c(=O)c21	ZINC000022610006	558501432	/nfs/dbraw/zinc/50/14/32/558501432.db2.gz	LNHYWPCTHSWOKX-ZDUSSCGKSA-N	-1	3	411.462	2.142	40	0		HEABHM
Cc1cccc(N2C[C@H](c3cc(=O)[n-]c(NCCCN4CCCC4=O)n3)CC2=O)c1C	ZINC000019235574	558854595	/nfs/dbraw/zinc/85/45/95/558854595.db2.gz	BQOYYTXHRMBGNJ-QGZVFWFLSA-N	-1	3	423.517	2.332	40	0		HEABHM
O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[n-]c(=O)c2C1	ZINC000019332065	558868743	/nfs/dbraw/zinc/86/87/43/558868743.db2.gz	VAWHFXHKABBRCZ-SFHVURJKSA-N	-1	3	410.449	2.181	40	0		HEABHM
O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344246	558872719	/nfs/dbraw/zinc/87/27/19/558872719.db2.gz	BGAXQQZDNKXDCK-UONOGXRCSA-N	-1	3	421.544	2.029	40	0		HEABHM
O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H](c2nc(-c3cccs3)cc(=O)[n-]2)C1	ZINC000019344252	558872776	/nfs/dbraw/zinc/87/27/76/558872776.db2.gz	BGAXQQZDNKXDCK-ZIAGYGMSSA-N	-1	3	421.544	2.029	40	0		HEABHM
CC(C)[C@H](NC(=O)c1ccc2ncccc2c1)c1cc(=O)[n-]c(N2CCN(C)CC2)n1	ZINC000019445529	558885590	/nfs/dbraw/zinc/88/55/90/558885590.db2.gz	UOULZHLEOCKYHC-NRFANRHFSA-N	-1	3	420.517	2.197	40	0		HEABHM
CC(C)CC(=O)N[C@H](Cc1cc(=O)[n-]c(N2CCOCC2)n1)c1ccc(F)cc1	ZINC000019446626	558886292	/nfs/dbraw/zinc/88/62/92/558886292.db2.gz	GEAWJCDQRWBPFL-GOSISDBHSA-N	-1	3	402.470	2.192	40	0		HEABHM
C[C@@H]1Oc2ccc(NC(=O)C(C)(C)[N-]S(=O)(=O)c3cccs3)cc2NC1=O	ZINC000019462078	558893951	/nfs/dbraw/zinc/89/39/51/558893951.db2.gz	KFRFGRYLMPYNST-JTQLQIEISA-N	-1	3	409.489	2.163	40	0		HEABHM
CCCC(=O)N1CCc2nc([C@H]3CCCN(Cc4cnn(CC)c4)C3)[n-]c(=O)c2C1	ZINC000019501603	558899628	/nfs/dbraw/zinc/89/96/28/558899628.db2.gz	FOBIOOBIKIRSPW-KRWDZBQOSA-N	-1	3	412.538	2.051	40	0		HEABHM
COc1cccc(CC(=O)N2CC[C@H](c3nc(-c4cccnc4OC)cc(=O)[n-]3)C2)c1	ZINC000019564070	558924079	/nfs/dbraw/zinc/92/40/79/558924079.db2.gz	ILLGMFAUCKZKFG-INIZCTEOSA-N	-1	3	420.469	2.408	40	0		HEABHM
C[C@@H]1CN(c2nc3c(c(=O)[n-]2)CCN(Cc2ccnc4ccccc24)C3)C[C@H](C)O1	ZINC000072335591	558936726	/nfs/dbraw/zinc/93/67/26/558936726.db2.gz	HBJHIZSBWNMCFB-IYBDPMFKSA-N	-1	3	405.502	2.490	40	0		HEABHM
COc1ccc(CN2CCc3c(=O)[n-]c(N4C[C@H](C)O[C@@H](C)C4)nc3C2)cc1O	ZINC000072347249	558943922	/nfs/dbraw/zinc/94/39/22/558943922.db2.gz	CCSJXANYSZECEG-KBPBESRZSA-N	-1	3	400.479	2.068	40	0		HEABHM
CC(C)C(=O)N1CCC(c2nc([C@H]3CCCN(C(=O)[C@H]4C[C@H]4C)C3)cc(=O)[n-]2)CC1	ZINC000072399222	558976864	/nfs/dbraw/zinc/97/68/64/558976864.db2.gz	QBSCHBALMCVDRS-NJAFHUGGSA-N	-1	3	414.550	2.494	40	0		HEABHM
COC(=O)c1ccc(CS(=O)(=O)[N-]Cc2nc(-c3ccc(OC)cc3)no2)cc1	ZINC000223657679	568555235	/nfs/dbraw/zinc/55/52/35/568555235.db2.gz	FJWKHELCTLICQI-UHFFFAOYSA-N	-1	3	417.443	2.151	40	0		HEABHM
CCOc1cc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)ccc1OC	ZINC000225665236	568661875	/nfs/dbraw/zinc/66/18/75/568661875.db2.gz	IOYPWDGEFINNJH-UHFFFAOYSA-N	-1	3	414.509	2.018	40	0		HEABHM
Cc1nccn1-c1ccc(C[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000225761203	568672053	/nfs/dbraw/zinc/67/20/53/568672053.db2.gz	VVDHQAVCVBYBAL-UHFFFAOYSA-N	-1	3	420.520	2.105	40	0		HEABHM
C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccncc1)C2	ZINC000253591718	569318195	/nfs/dbraw/zinc/31/81/95/569318195.db2.gz	PQELZNRWMQQDON-BJZITVGISA-N	-1	3	421.501	2.485	40	0		HEABHM
Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCCO)c(C)c2)cc1C	ZINC000007362123	569337428	/nfs/dbraw/zinc/33/74/28/569337428.db2.gz	APMDWAPWOAOQES-UHFFFAOYSA-N	-1	3	406.504	2.290	40	0		HEABHM
COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]c1c(F)cccc1F	ZINC000057728051	569352344	/nfs/dbraw/zinc/35/23/44/569352344.db2.gz	KBVFWDJXKXRSQH-UHFFFAOYSA-N	-1	3	412.414	2.247	40	0		HEABHM
CCCCCCC(=O)CCCCCC/C=C\C[C@H](O)[C@H](O)[C@](N)(CO)C(=O)[O-]	ZINC000109561925	569359299	/nfs/dbraw/zinc/35/92/99/569359299.db2.gz	ZZIKIHCNFWXKDY-LDZKPWTKSA-N	-1	3	401.544	2.309	40	0	biogenic	HEABHM