smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2cc(NC(=O)[C@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cnc2c1	ZINC000217821656	568474080	/nfs/dbraw/zinc/47/40/80/568474080.db2.gz	DUZVWJGNBQGGFU-KRWDZBQOSA-N	0	0	405.454	2.979	50	70	biogenic	HFIARN
CC(C)CCn1cnc2ccc(NC(=O)[C@H](c3ccccc3)n3cnnn3)cc2c1=O	ZINC000218494763	568480939	/nfs/dbraw/zinc/48/09/39/568480939.db2.gz	VSCLCAFTSFCRJE-FQEVSTJZSA-N	0	0	417.473	2.657	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCC3CCOCC3)C(C)(C)S[C@@H]21	ZINC000218521153	568481377	/nfs/dbraw/zinc/48/13/77/568481377.db2.gz	FIJWCFNNZWHTLL-XLIONFOSSA-N	0	0	420.531	2.595	50	70		HFIARN
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217732295	568908762	/nfs/dbraw/zinc/90/87/62/568908762.db2.gz	HHQNPZFMKAJRJV-ZIAGYGMSSA-N	0	0	413.524	2.550	50	70		HFIARN
Cc1cc(-c2cccs2)nn1CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1	ZINC000217873719	568917212	/nfs/dbraw/zinc/91/72/12/568917212.db2.gz	XLRFCLAAAQNYSA-UHFFFAOYSA-N	0	0	418.544	2.600	50	70		HFIARN
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)cn1	ZINC000217892670	568918700	/nfs/dbraw/zinc/91/87/00/568918700.db2.gz	OCKBWWSAZYKUPF-NRFANRHFSA-N	0	0	414.421	2.844	50	70	biogenic	HFIARN
Cn1nc(CN(Cc2ccco2)C(=O)Cn2c(=O)oc3ccccc32)c2c1CCC2	ZINC000217904726	568918983	/nfs/dbraw/zinc/91/89/83/568918983.db2.gz	FOSQAVFZWBIFNJ-UHFFFAOYSA-N	0	0	406.442	2.639	50	70		HFIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)N2CCN(c3ccccn3)CC2)n1	ZINC000218326007	568478455	/nfs/dbraw/zinc/47/84/55/568478455.db2.gz	LRITXLLJEHFVLL-OAQYLSRUSA-N	0	0	416.529	2.860	50	70		HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H](C)N1Cc2ccccc2C1=O	ZINC000218341276	568478771	/nfs/dbraw/zinc/47/87/71/568478771.db2.gz	MSDTUDTZQOANRB-HOTGVXAUSA-N	0	0	406.486	2.904	50	70		HFIARN
CC(C)C[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	ZINC000218409864	568480014	/nfs/dbraw/zinc/48/00/14/568480014.db2.gz	CYRWQBFEQRVRQI-SFHVURJKSA-N	0	0	404.474	2.582	50	70		HFIARN
O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217840400	568915670	/nfs/dbraw/zinc/91/56/70/568915670.db2.gz	JJGHKRSYZDNJEZ-LEXSJLIMSA-N	0	0	419.441	2.750	50	70		HFIARN
Cc1nc2cc(=O)[nH]n2c(C)c1CCC(=O)NCCn1ccc2ccc(Cl)cc21	ZINC000218174277	568476023	/nfs/dbraw/zinc/47/60/23/568476023.db2.gz	FORQYSHJTKMPLO-UHFFFAOYSA-N	0	0	411.893	2.997	50	70		HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@@H]1CCCN(c2ncccn2)C1	ZINC000218187750	568476207	/nfs/dbraw/zinc/47/62/07/568476207.db2.gz	MONOESRXGAIOCL-DLBZAZTESA-N	0	0	408.506	2.567	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OCc2ccccn2)cc1	ZINC000218250334	568476869	/nfs/dbraw/zinc/47/68/69/568476869.db2.gz	IDHNJAYIUXUAJF-KRWDZBQOSA-N	0	0	420.421	2.967	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(Cl)c(C(N)=O)c1	ZINC000218275933	568477301	/nfs/dbraw/zinc/47/73/01/568477301.db2.gz	VZXNOQAFKZSZRV-AWEZNQCLSA-N	0	0	404.806	2.696	50	70		HFIARN
COC(=O)c1sccc1S(=O)(=O)NC[C@](C)(O)c1cc2ccccc2s1	ZINC000217514035	568887721	/nfs/dbraw/zinc/88/77/21/568887721.db2.gz	AUNZYYBZKQLWAQ-KRWDZBQOSA-N	0	0	411.526	2.935	50	70		HFIARN
COC(=O)C[C@@H](c1ccncc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217693523	568906824	/nfs/dbraw/zinc/90/68/24/568906824.db2.gz	ZCQBUVFWIUVRFM-IBGZPJMESA-N	0	0	408.454	2.901	50	70	biogenic	HFIARN
O=C(C[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)N1CCCC[C@H]1c1cccnc1	ZINC000218123554	568926400	/nfs/dbraw/zinc/92/64/00/568926400.db2.gz	COSGCVWLPJTGJJ-PMACEKPBSA-N	0	0	406.486	2.688	50	70	biogenic	HFIARN
CC(C)[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C	ZINC000218220309	568476504	/nfs/dbraw/zinc/47/65/04/568476504.db2.gz	RAWONVRBIUXRCN-IBGZPJMESA-N	0	0	419.485	2.858	50	70		HFIARN
COC(=O)CC1CCN(C(=O)[C@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218285488	568477464	/nfs/dbraw/zinc/47/74/64/568477464.db2.gz	KHXGDOZTFRYFNM-FQEVSTJZSA-N	0	0	410.518	2.918	50	70		HFIARN
CC(C)CCn1cnc2ccc(NC(=O)Cc3n[nH]c(=O)c4ccccc34)cc2c1=O	ZINC000218538917	568481512	/nfs/dbraw/zinc/48/15/12/568481512.db2.gz	QWTPLMMFOJLSHS-UHFFFAOYSA-N	0	0	417.469	2.860	50	70		HFIARN
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	ZINC000218278969	568837237	/nfs/dbraw/zinc/83/72/37/568837237.db2.gz	KJXIBLLMNXGACC-ZFWWWQNUSA-N	0	0	402.451	2.575	50	70		HFIARN
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	ZINC000218279024	568837278	/nfs/dbraw/zinc/83/72/78/568837278.db2.gz	KJXIBLLMNXGACC-HIFRSBDPSA-N	0	0	402.451	2.575	50	70		HFIARN
CCCCOc1ccc(NC(=O)N2CCN(c3cc(-n4cncn4)ncn3)CC2)cc1	ZINC000218619466	568884424	/nfs/dbraw/zinc/88/44/24/568884424.db2.gz	JCSMJONTJOXHDV-UHFFFAOYSA-N	0	0	422.493	2.590	50	70		HFIARN
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217732132	568908862	/nfs/dbraw/zinc/90/88/62/568908862.db2.gz	HHQNPZFMKAJRJV-OKILXGFUSA-N	0	0	413.524	2.550	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC(C)C)[C@@H]21	ZINC000217737486	568909022	/nfs/dbraw/zinc/90/90/22/568909022.db2.gz	HQTLFPGIFZVHQO-OAQYLSRUSA-N	0	0	423.469	2.733	50	70	biogenic	HFIARN
O=C(C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1)c1c[nH]c2ccccc12	ZINC000217842107	568915780	/nfs/dbraw/zinc/91/57/80/568915780.db2.gz	MOVYOSOXGVTDSX-AWEZNQCLSA-N	0	0	416.441	2.672	50	70		HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1ccccn1	ZINC000217901782	568918699	/nfs/dbraw/zinc/91/86/99/568918699.db2.gz	HWTIMHUUTFBTKW-JOCHJYFZSA-N	0	0	412.449	2.903	50	70	biogenic	HFIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1ccco1	ZINC000217907366	568919031	/nfs/dbraw/zinc/91/90/31/568919031.db2.gz	WFNPUAMZARGBTQ-OAQYLSRUSA-N	0	0	401.422	2.753	50	70	biogenic	HFIARN
CC[C@H](C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	ZINC000218024157	568923664	/nfs/dbraw/zinc/92/36/64/568923664.db2.gz	PBKGTTSTTRCDRN-GMVOTWDCSA-N	0	0	419.485	2.907	50	70	biogenic	HFIARN
CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(F)cc2F)c1-n1cccc1	ZINC000218291698	568477778	/nfs/dbraw/zinc/47/77/78/568477778.db2.gz	KHPIZFVWYKFEMW-AWEZNQCLSA-N	0	0	406.458	2.785	50	70		HFIARN
O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218384687	568479607	/nfs/dbraw/zinc/47/96/07/568479607.db2.gz	JKQFYPBBLYUWGW-LLVKDONJSA-N	0	0	401.348	2.881	50	70		HFIARN
O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(=O)[nH]c2ccccc21	ZINC000218283325	568837427	/nfs/dbraw/zinc/83/74/27/568837427.db2.gz	ZDKWMJSERPWBJJ-HNNXBMFYSA-N	0	0	402.410	2.817	50	70		HFIARN
Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc(=O)n1C	ZINC000217775284	568911393	/nfs/dbraw/zinc/91/13/93/568911393.db2.gz	PAAJPIAEGGXXHI-CYBMUJFWSA-N	0	0	416.421	2.555	50	70		HFIARN
O=C1Nc2ccccc2[C@@]12[C@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699153	568473548	/nfs/dbraw/zinc/47/35/48/568473548.db2.gz	MFWGSYNXWRPJDO-KCXPTXFHSA-N	0	0	407.857	2.771	50	70		HFIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NCCC3=CCCCC3)C2=O)cc1OC	ZINC000218072921	568474992	/nfs/dbraw/zinc/47/49/92/568474992.db2.gz	CWQDSCVVPOUMPV-KRWDZBQOSA-N	0	0	415.490	2.521	50	70	biogenic	HFIARN
CC(C)[C@H](NC(=O)COc1ccc(-c2nnn(C)n2)cc1)c1nc2ccccc2n1C	ZINC000218176226	568476037	/nfs/dbraw/zinc/47/60/37/568476037.db2.gz	SZACGGVNZRBDBC-FQEVSTJZSA-N	0	0	419.489	2.656	50	70		HFIARN
CSCC[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2ccccc2n1C	ZINC000218211602	568476373	/nfs/dbraw/zinc/47/63/73/568476373.db2.gz	QVXCUXAYBWOXSO-KRWDZBQOSA-N	0	0	421.526	2.963	50	70		HFIARN
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2nnc3ccccn32)n1	ZINC000218282118	568477445	/nfs/dbraw/zinc/47/74/45/568477445.db2.gz	WCQVNZBLEOVNIJ-LJQANCHMSA-N	0	0	415.501	2.518	50	70		HFIARN
Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)NCCc1ccc(O)cc1	ZINC000218331088	568478620	/nfs/dbraw/zinc/47/86/20/568478620.db2.gz	UJFUUAUHVFSRAT-UHFFFAOYSA-N	0	0	408.433	2.620	50	70		HFIARN
COCc1nc(-c2cccc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)c2)n[nH]1	ZINC000218533871	568481489	/nfs/dbraw/zinc/48/14/89/568481489.db2.gz	IGKDCXLXNRCBGS-CYBMUJFWSA-N	0	0	404.430	2.528	50	70		HFIARN
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	ZINC000218278867	568837330	/nfs/dbraw/zinc/83/73/30/568837330.db2.gz	KJXIBLLMNXGACC-DZGCQCFKSA-N	0	0	402.451	2.575	50	70		HFIARN
Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1	ZINC000217696685	568906837	/nfs/dbraw/zinc/90/68/37/568906837.db2.gz	HVLVOEIJZXGXIA-UHFFFAOYSA-N	0	0	407.492	2.852	50	70		HFIARN
COc1ccccc1-n1c(=O)[nH]nc1C[C@@H]1CCCN(C(=O)c2cc(C)oc2C)C1	ZINC000217856574	568916545	/nfs/dbraw/zinc/91/65/45/568916545.db2.gz	MMBSSLLSFIMLJL-INIZCTEOSA-N	0	0	410.474	2.874	50	70		HFIARN
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	ZINC000217958270	568920943	/nfs/dbraw/zinc/92/09/43/568920943.db2.gz	NCOZWMOBAAANPD-UYAOXDASSA-N	0	0	423.444	2.906	50	70		HFIARN
COCCn1c(CCNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21	ZINC000218607590	568939734	/nfs/dbraw/zinc/93/97/34/568939734.db2.gz	YHXKWAXJCRPLKW-UHFFFAOYSA-N	0	0	409.486	2.745	50	70		HFIARN
CC(=O)c1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccccc4)N4CCC[C@H]34)C2O)cc1	ZINC000217589115	569038956	/nfs/dbraw/zinc/03/89/56/569038956.db2.gz	GRQHNJFGNPBKRZ-IVAOSVALSA-N	0	0	402.450	2.724	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3cc(C)n(C)n3)C(C)(C)S[C@@H]21	ZINC000218453118	568480558	/nfs/dbraw/zinc/48/05/58/568480558.db2.gz	YOTXPNWXLCNQIZ-APWZRJJASA-N	0	0	416.503	2.733	50	70		HFIARN
COC(=O)C[C@H](c1ccc(-c2ccccc2F)o1)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218615951	568482515	/nfs/dbraw/zinc/48/25/15/568482515.db2.gz	NTLYRHISKKLTEB-GFCCVEGCSA-N	0	0	415.373	2.961	50	70		HFIARN
COC(=O)C[C@@H](c1cnn(C)c1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218397217	568841115	/nfs/dbraw/zinc/84/11/15/568841115.db2.gz	DAYVHCZJLPSZDV-KRWDZBQOSA-N	0	0	424.501	2.826	50	70		HFIARN
COc1ccccc1N1CCN(Cc2c([O-])c(C[NH+]3CCCCC3)coc2=O)CC1	ZINC000218520604	568879996	/nfs/dbraw/zinc/87/99/96/568879996.db2.gz	PSGZDAUQCWZDIX-UHFFFAOYSA-N	0	0	413.518	2.662	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)Nc1nc(C)c(C)s1	ZINC000218547170	568881259	/nfs/dbraw/zinc/88/12/59/568881259.db2.gz	YBTOAYJSQLTSDX-PIGZYNQJSA-N	0	0	405.501	2.986	50	70		HFIARN
COC(=O)c1ccc(NC(=O)C(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217519920	568887917	/nfs/dbraw/zinc/88/79/17/568887917.db2.gz	DDJYTGBNAQUBLR-NRFANRHFSA-N	0	0	412.467	2.650	50	70		HFIARN
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217733027	568908768	/nfs/dbraw/zinc/90/87/68/568908768.db2.gz	XJYCMYDUUPASFW-KBPBESRZSA-N	0	0	409.269	2.534	50	70		HFIARN
COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	ZINC000217892590	568918688	/nfs/dbraw/zinc/91/86/88/568918688.db2.gz	VBNYBXZFXQOQCW-CZUORRHYSA-N	0	0	411.385	2.767	50	70		HFIARN
COc1ccc(Cc2nc(NC(=O)[C@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1	ZINC000218150397	568475882	/nfs/dbraw/zinc/47/58/82/568475882.db2.gz	KFNRHTFJZMUUJD-KRWDZBQOSA-N	0	0	421.505	2.666	50	70		HFIARN
COc1ccccc1CCN1C[C@H](C(=O)Nc2cccc(-c3nc[nH]n3)c2)CC1=O	ZINC000218267111	568477112	/nfs/dbraw/zinc/47/71/12/568477112.db2.gz	DFXJCVAGFDHPTJ-QGZVFWFLSA-N	0	0	405.458	2.510	50	70		HFIARN
CNC(=O)c1ccc(NC(=O)C[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1Cl	ZINC000218299157	568478017	/nfs/dbraw/zinc/47/80/17/568478017.db2.gz	NMEGVSGIVFNEQD-OAHLLOKOSA-N	0	0	418.833	2.957	50	70		HFIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1nc2c(s1)CCCCC2	ZINC000218356636	568479070	/nfs/dbraw/zinc/47/90/70/568479070.db2.gz	NCAWHLBYPJBMKZ-AWEZNQCLSA-N	0	0	402.476	2.844	50	70		HFIARN
CC(C)C[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C	ZINC000218410936	568479985	/nfs/dbraw/zinc/47/99/85/568479985.db2.gz	MQNYHPQPXJZHPQ-KRWDZBQOSA-N	0	0	419.485	2.858	50	70		HFIARN
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1	ZINC000217473611	568883346	/nfs/dbraw/zinc/88/33/46/568883346.db2.gz	NDXMFGARJLIIQA-QGZVFWFLSA-N	0	0	424.354	2.979	50	70		HFIARN
O=C(COc1ccc(Cl)cc1Cl)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217614399	568898845	/nfs/dbraw/zinc/89/88/45/568898845.db2.gz	PWZHRCQSNLFHDJ-UHFFFAOYSA-N	0	0	409.273	2.541	50	70		HFIARN
O=C(Cc1ccc(Br)cc1)N1[C@@H]2CC[C@H]1CC(N1C(=O)CCC1=O)C2	ZINC000217763064	568910977	/nfs/dbraw/zinc/91/09/77/568910977.db2.gz	MEJDQFNZXKGQHV-XYPWUTKMSA-N	0	0	405.292	2.663	50	70		HFIARN
O=C(c1cc(-c2ccco2)on1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217837522	568915532	/nfs/dbraw/zinc/91/55/32/568915532.db2.gz	ROEWUGWALUGGBD-ZDUSSCGKSA-N	0	0	406.402	2.870	50	70		HFIARN
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	ZINC000217892403	568918637	/nfs/dbraw/zinc/91/86/37/568918637.db2.gz	VBNYBXZFXQOQCW-XJKSGUPXSA-N	0	0	411.385	2.767	50	70		HFIARN
COc1cc2c(c(OC)c1OC)[C@@H](c1cc(OC)c3c(c1)OCCO3)CC(=O)O2	ZINC000217983138	568921989	/nfs/dbraw/zinc/92/19/89/568921989.db2.gz	VJMYCARQSUKDLG-GFCCVEGCSA-N	0	0	402.399	2.933	50	70	biogenic	HFIARN
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C	ZINC000218011824	568923390	/nfs/dbraw/zinc/92/33/90/568923390.db2.gz	JAMFPADWRHTESA-OAQYLSRUSA-N	0	0	402.878	2.936	50	70		HFIARN
Cn1c(CCCCCNC(=O)Cn2ncc3ccccc3c2=O)nc2ccccc21	ZINC000218248538	568476820	/nfs/dbraw/zinc/47/68/20/568476820.db2.gz	USXAAGRMWAQUDA-UHFFFAOYSA-N	0	0	403.486	2.812	50	70		HFIARN
COC(=O)CC1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218285535	568477567	/nfs/dbraw/zinc/47/75/67/568477567.db2.gz	KHXGDOZTFRYFNM-HXUWFJFHSA-N	0	0	410.518	2.918	50	70		HFIARN
CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1C	ZINC000218399292	568479744	/nfs/dbraw/zinc/47/97/44/568479744.db2.gz	SCTDXSACRSINHU-LBPRGKRZSA-N	0	0	403.426	2.923	50	70		HFIARN
COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)Nc3ccccc3)C2=O)cc1OC	ZINC000218417845	568480146	/nfs/dbraw/zinc/48/01/46/568480146.db2.gz	FLLQHRJJRNKJFN-KRWDZBQOSA-N	0	0	411.458	2.586	50	70		HFIARN
O=C(Cn1cnc2ccsc2c1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218244373	568476828	/nfs/dbraw/zinc/47/68/28/568476828.db2.gz	FBLAUSJARICFOA-UHFFFAOYSA-N	0	0	403.891	2.622	50	70		HFIARN
Cn1c2ccccc2nc1N1CCN(C(=O)CC2(n3cccc3)CCOCC2)CC1	ZINC000218320598	568478336	/nfs/dbraw/zinc/47/83/36/568478336.db2.gz	GTFKAAHWLDRIHD-UHFFFAOYSA-N	0	0	407.518	2.619	50	70		HFIARN
CC(C)C[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1	ZINC000218376245	568479413	/nfs/dbraw/zinc/47/94/13/568479413.db2.gz	UKTMCBQERGMRPP-KRWDZBQOSA-N	0	0	405.458	2.848	50	70		HFIARN
COCc1nnc(-c2ccc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cc2)[nH]1	ZINC000218604338	568482381	/nfs/dbraw/zinc/48/23/81/568482381.db2.gz	ZGHVTKWCRRIMOG-CYBMUJFWSA-N	0	0	404.430	2.528	50	70		HFIARN
CC(C)n1c(CCNC(=O)CCCn2nnc3ccccc3c2=O)nc2ccccc21	ZINC000218221849	568476486	/nfs/dbraw/zinc/47/64/86/568476486.db2.gz	NBKYSLBRCYEQFN-UHFFFAOYSA-N	0	0	418.501	2.861	50	70		HFIARN
COc1cc2nc(C)n(CC(=O)N3CCCC[C@H]3c3cccnc3)c(=O)c2cc1OC	ZINC000218448221	568480587	/nfs/dbraw/zinc/48/05/87/568480587.db2.gz	MPQIUTHIMAPEEY-IBGZPJMESA-N	0	0	422.485	2.871	50	70	biogenic	HFIARN
COc1ccc(NC(C)=O)cc1NC(=O)c1c(C)cc(C)n(C[C@@H]2CCCO2)c1=O	ZINC000218493245	568480969	/nfs/dbraw/zinc/48/09/69/568480969.db2.gz	CTYJDLXQAHAFEI-KRWDZBQOSA-N	0	0	413.474	2.863	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OC(C)C)c(OC)c1	ZINC000217697999	568906871	/nfs/dbraw/zinc/90/68/71/568906871.db2.gz	OTJADJYHMRPFNQ-ZDUSSCGKSA-N	0	0	401.415	2.788	50	70	biogenic	HFIARN
Cc1cc(-c2ccncc2)nn1CCNC(=O)c1ccccc1S(=O)(=O)C(F)F	ZINC000217869936	568916871	/nfs/dbraw/zinc/91/68/71/568916871.db2.gz	YQDMUDMBSAAFPZ-UHFFFAOYSA-N	0	0	420.441	2.680	50	70		HFIARN
CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	ZINC000217920225	568919839	/nfs/dbraw/zinc/91/98/39/568919839.db2.gz	NEEKEUWZCJEYSA-OALUTQOASA-N	0	0	419.485	2.907	50	70	biogenic	HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)[C@H]1CCCN(c2ncccn2)C1	ZINC000218187840	568476189	/nfs/dbraw/zinc/47/61/89/568476189.db2.gz	MONOESRXGAIOCL-IRXDYDNUSA-N	0	0	408.506	2.567	50	70		HFIARN
CC(C)n1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	ZINC000218271819	568477201	/nfs/dbraw/zinc/47/72/01/568477201.db2.gz	RJQRCELQXGHWGE-LRDDRELGSA-N	0	0	405.524	2.859	50	70		HFIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCCc2nnc3ccccn32)n1	ZINC000218282161	568477458	/nfs/dbraw/zinc/47/74/58/568477458.db2.gz	WCQVNZBLEOVNIJ-IBGZPJMESA-N	0	0	415.501	2.518	50	70		HFIARN
COc1ccccc1N1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1	ZINC000218355756	568479026	/nfs/dbraw/zinc/47/90/26/568479026.db2.gz	ACSLOHRRVNXRRS-UHFFFAOYSA-N	0	0	413.518	2.662	50	70		HFIARN
COC(=O)C[C@H](c1ccncc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217693424	568906809	/nfs/dbraw/zinc/90/68/09/568906809.db2.gz	ZCQBUVFWIUVRFM-LJQANCHMSA-N	0	0	408.454	2.901	50	70	biogenic	HFIARN
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1	ZINC000217733109	568908870	/nfs/dbraw/zinc/90/88/70/568908870.db2.gz	XJYCMYDUUPASFW-ZIAGYGMSSA-N	0	0	409.269	2.534	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC(C)C)[C@@H]21	ZINC000217797594	568912880	/nfs/dbraw/zinc/91/28/80/568912880.db2.gz	QXNGVJJXQLVAQU-OAQYLSRUSA-N	0	0	423.469	2.591	50	70	biogenic	HFIARN
COC(=O)C[C@H](c1cccnc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217910748	568919026	/nfs/dbraw/zinc/91/90/26/568919026.db2.gz	SYNAGNJIWNFDRK-LJQANCHMSA-N	0	0	408.454	2.901	50	70	biogenic	HFIARN
O=C(c1cnn2c1CCCC2)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1	ZINC000217977180	568921779	/nfs/dbraw/zinc/92/17/79/568921779.db2.gz	CXMHRPQSNAUDNQ-UHFFFAOYSA-N	0	0	406.408	2.836	50	70		HFIARN
COc1ccc2c(c1)CCC[C@@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	ZINC000218012100	568923413	/nfs/dbraw/zinc/92/34/13/568923413.db2.gz	WTHWPOCNBRDQGW-HXUWFJFHSA-N	0	0	406.841	2.767	50	70		HFIARN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1n[nH]c(CCC2CCCC2)n1	ZINC000218025507	569039115	/nfs/dbraw/zinc/03/91/15/569039115.db2.gz	RYAGRORJRNCXMB-ZQIUZPCESA-N	0	0	406.556	2.592	50	70	biogenic	HFIARN
COC(=O)[C@H](C)NC(=O)CC/C(C)=C/Cc1c(OC)c2c(c(C)c1OC)COC2=O	ZINC000217918656	568474302	/nfs/dbraw/zinc/47/43/02/568474302.db2.gz	BQKIHDMASBHRJS-GMMCIKNFSA-N	0	0	419.474	2.629	50	70	biogenic	HFIARN
CCS(=O)(=O)N1CCC(C(=O)Nc2cccnc2SCc2ccccn2)CC1	ZINC000218408623	568479975	/nfs/dbraw/zinc/47/99/75/568479975.db2.gz	ZYPUMSVOABNILY-UHFFFAOYSA-N	0	0	420.560	2.769	50	70		HFIARN
CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O)c1nc2ccccc2[nH]1	ZINC000218484569	568480942	/nfs/dbraw/zinc/48/09/42/568480942.db2.gz	SSPTYAQMSWUAFM-HKUYNNGSSA-N	0	0	405.458	2.891	50	70		HFIARN
COC(=O)C[C@@H](c1ccc(-c2ccccc2F)o1)c1c(=O)[nH]cc(C(=O)OC)c1O	ZINC000218616032	568482536	/nfs/dbraw/zinc/48/25/36/568482536.db2.gz	NTLYRHISKKLTEB-LBPRGKRZSA-N	0	0	415.373	2.961	50	70		HFIARN
O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(=O)[nH]c2ccccc21	ZINC000218283266	568837518	/nfs/dbraw/zinc/83/75/18/568837518.db2.gz	ZDKWMJSERPWBJJ-OAHLLOKOSA-N	0	0	402.410	2.817	50	70		HFIARN
O=C(CCn1cnc2ccccc2c1=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	ZINC000217661809	568903671	/nfs/dbraw/zinc/90/36/71/568903671.db2.gz	LEOFLUNPDMXIET-SFHVURJKSA-N	0	0	414.469	2.519	50	70		HFIARN
Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)c[nH]2)CC1	ZINC000217696799	568906793	/nfs/dbraw/zinc/90/67/93/568906793.db2.gz	CQGQNOFTSJWUDR-UHFFFAOYSA-N	0	0	416.478	2.633	50	70		HFIARN
O=C(c1cnc2ccccc2n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217843395	568915921	/nfs/dbraw/zinc/91/59/21/568915921.db2.gz	PKEKQTRZFMSZJW-AWEZNQCLSA-N	0	0	401.430	2.565	50	70		HFIARN
CC[C@H](C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	ZINC000218024234	568923571	/nfs/dbraw/zinc/92/35/71/568923571.db2.gz	PBKGTTSTTRCDRN-VIZZQPHQSA-N	0	0	419.485	2.907	50	70	biogenic	HFIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(NC(C)=O)c(OC)c1	ZINC000218166326	568476068	/nfs/dbraw/zinc/47/60/68/568476068.db2.gz	ISHATJUCTCLLBK-MRXNPFEDSA-N	0	0	414.414	2.911	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(NC(C)=O)c(OC)c1	ZINC000218166262	568476092	/nfs/dbraw/zinc/47/60/92/568476092.db2.gz	ISHATJUCTCLLBK-INIZCTEOSA-N	0	0	414.414	2.911	50	70		HFIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1n[nH]c(CCC2CCCC2)n1	ZINC000218202940	568476220	/nfs/dbraw/zinc/47/62/20/568476220.db2.gz	QPCWDUPIMLKRGK-KRWDZBQOSA-N	0	0	424.505	2.767	50	70		HFIARN
CC(C)n1nccc1[C@@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	ZINC000218271714	568477234	/nfs/dbraw/zinc/47/72/34/568477234.db2.gz	RJQRCELQXGHWGE-WBMJQRKESA-N	0	0	405.524	2.859	50	70		HFIARN
CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	ZINC000218357136	568479036	/nfs/dbraw/zinc/47/90/36/568479036.db2.gz	WAEHZNWCOOXMON-FQEVSTJZSA-N	0	0	404.474	2.582	50	70		HFIARN
CSCC[C@H](NC(=O)C1(n2cnnn2)CCCCC1)c1nc2ccccc2n1C	ZINC000218363123	568479230	/nfs/dbraw/zinc/47/92/30/568479230.db2.gz	QVGDVRMEYYURTJ-INIZCTEOSA-N	0	0	413.551	2.830	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)Nc1cc(C)n(C)n1	ZINC000218452954	568480580	/nfs/dbraw/zinc/48/05/80/568480580.db2.gz	YOTXPNWXLCNQIZ-LPHOPBHVSA-N	0	0	416.503	2.733	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)NCC1CCOCC1	ZINC000218520992	568481448	/nfs/dbraw/zinc/48/14/48/568481448.db2.gz	FIJWCFNNZWHTLL-PXNSSMCTSA-N	0	0	420.531	2.595	50	70		HFIARN
COC(=O)C[C@H](c1cnn(C)c1)c1c(=O)[nH][nH]c1Cc1ccc2c(c1)CCC(C)(C)O2	ZINC000218397134	568841076	/nfs/dbraw/zinc/84/10/76/568841076.db2.gz	DAYVHCZJLPSZDV-QGZVFWFLSA-N	0	0	424.501	2.826	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3nc(C)c(C)s3)CS[C@@H]21	ZINC000218547413	568881223	/nfs/dbraw/zinc/88/12/23/568881223.db2.gz	YBTOAYJSQLTSDX-GTNSWQLSSA-N	0	0	405.501	2.986	50	70		HFIARN
COc1ccc2[nH]cc(CCNC(=O)Cn3cnc4sc(C)c(C)c4c3=O)c2c1	ZINC000218563776	568882140	/nfs/dbraw/zinc/88/21/40/568882140.db2.gz	YYDUTBAUPXMBET-UHFFFAOYSA-N	0	0	410.499	2.924	50	70		HFIARN
COc1ccccc1CCN1C(=O)N[C@@H](CC(=O)Nc2ccc3[nH]ccc3c2)C1=O	ZINC000217652707	568903392	/nfs/dbraw/zinc/90/33/92/568903392.db2.gz	XXVSOLCOJKYLKY-SFHVURJKSA-N	0	0	406.442	2.668	50	70	biogenic	HFIARN
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	ZINC000217958191	568920973	/nfs/dbraw/zinc/92/09/73/568920973.db2.gz	NCOZWMOBAAANPD-QUCCMNQESA-N	0	0	423.444	2.906	50	70		HFIARN
Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCN(CCc2ccccn2)CC1	ZINC000218182139	568476064	/nfs/dbraw/zinc/47/60/64/568476064.db2.gz	AOBUYDGCARRLEK-UHFFFAOYSA-N	0	0	403.530	2.944	50	70		HFIARN
O=S(=O)(c1cccnc1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217803074	568913675	/nfs/dbraw/zinc/91/36/75/568913675.db2.gz	XOGNTBAXOIKYBE-AWEZNQCLSA-N	0	0	402.451	2.914	50	70		HFIARN
COC(=O)C[C@H](c1ccc2nccnc2c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000218273737	568477232	/nfs/dbraw/zinc/47/72/32/568477232.db2.gz	YALACDSCXNNFHM-QGZVFWFLSA-N	0	0	423.469	2.970	50	70		HFIARN
CC(C)[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C	ZINC000217875433	568917333	/nfs/dbraw/zinc/91/73/33/568917333.db2.gz	JVYKACNAMBILMM-XLIONFOSSA-N	0	0	419.485	2.527	50	70	biogenic	HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccccn1	ZINC000217901849	568919075	/nfs/dbraw/zinc/91/90/75/568919075.db2.gz	HWTIMHUUTFBTKW-QFIPXVFZSA-N	0	0	412.449	2.903	50	70	biogenic	HFIARN
COC(=O)C[C@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1cc2c(cc1O)OCO2	ZINC000218010889	568922673	/nfs/dbraw/zinc/92/26/73/568922673.db2.gz	POHKJBBCWUEXJW-CYBMUJFWSA-N	0	0	418.398	2.758	50	70	biogenic	HFIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1OC	ZINC000218184667	568476060	/nfs/dbraw/zinc/47/60/60/568476060.db2.gz	WTADQJOHLVVFAH-KRWDZBQOSA-N	0	0	417.506	2.743	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OCc2ccccn2)cc1	ZINC000218250250	568476840	/nfs/dbraw/zinc/47/68/40/568476840.db2.gz	IDHNJAYIUXUAJF-QGZVFWFLSA-N	0	0	420.421	2.967	50	70		HFIARN
CC(C)[C@H](NC(=O)CCCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	ZINC000218268817	568477022	/nfs/dbraw/zinc/47/70/22/568477022.db2.gz	RINNORGHKPBUPY-NRFANRHFSA-N	0	0	418.501	2.972	50	70		HFIARN
O=C(Nc1cccc(-c2nc[nH]n2)c1)[C@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218384786	568479639	/nfs/dbraw/zinc/47/96/39/568479639.db2.gz	JKQFYPBBLYUWGW-NSHDSACASA-N	0	0	401.348	2.881	50	70		HFIARN
O=C(CCn1cnc2ccccc2c1=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	ZINC000217661724	568903693	/nfs/dbraw/zinc/90/36/93/568903693.db2.gz	LEOFLUNPDMXIET-GOSISDBHSA-N	0	0	414.469	2.519	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OC(C)C)c(OC)c1	ZINC000217697905	568906801	/nfs/dbraw/zinc/90/68/01/568906801.db2.gz	OTJADJYHMRPFNQ-CYBMUJFWSA-N	0	0	401.415	2.788	50	70	biogenic	HFIARN
COC(=O)[C@@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	ZINC000217892510	568918642	/nfs/dbraw/zinc/91/86/42/568918642.db2.gz	VBNYBXZFXQOQCW-CJNGLKHVSA-N	0	0	411.385	2.767	50	70		HFIARN
CC(C)C[C@H](NC(=O)CCn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	ZINC000218148064	568475742	/nfs/dbraw/zinc/47/57/42/568475742.db2.gz	LVJMHKAOEWMYBF-IBGZPJMESA-N	0	0	418.501	2.972	50	70		HFIARN
COc1ccc(Cc2nc(NC(=O)[C@@H]3CCCN(c4nc(C)cc(C)n4)C3)n[nH]2)cc1	ZINC000218150296	568475850	/nfs/dbraw/zinc/47/58/50/568475850.db2.gz	KFNRHTFJZMUUJD-QGZVFWFLSA-N	0	0	421.505	2.666	50	70		HFIARN
CNC(=O)c1ccc(NC(=O)C[C@@H]2OC(=O)c3c2ccc(OC)c3OC)cc1Cl	ZINC000218299096	568478045	/nfs/dbraw/zinc/47/80/45/568478045.db2.gz	NMEGVSGIVFNEQD-HNNXBMFYSA-N	0	0	418.833	2.957	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)Nc1cc(C)n(C)n1	ZINC000218453030	568480548	/nfs/dbraw/zinc/48/05/48/568480548.db2.gz	YOTXPNWXLCNQIZ-VQIMIIECSA-N	0	0	416.503	2.733	50	70		HFIARN
COc1ccc(OC)c(-c2cc(C(=O)NCCSC3CCOCC3)n(C)n2)c1	ZINC000217703261	568907355	/nfs/dbraw/zinc/90/73/55/568907355.db2.gz	WSPPWHNVPPGTLY-UHFFFAOYSA-N	0	0	405.520	2.746	50	70		HFIARN
O=C(CSc1nc2ccccc2s1)N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217732212	568908834	/nfs/dbraw/zinc/90/88/34/568908834.db2.gz	HHQNPZFMKAJRJV-KBPBESRZSA-N	0	0	413.524	2.550	50	70		HFIARN
COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217790035	568912053	/nfs/dbraw/zinc/91/20/53/568912053.db2.gz	ZSXYCGOPFBSZOV-INIZCTEOSA-N	0	0	417.458	2.741	50	70	biogenic	HFIARN
O=C(c1ccc2nsnc2c1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217844303	568915836	/nfs/dbraw/zinc/91/58/36/568915836.db2.gz	AEGFIYQVCSQJIS-GFCCVEGCSA-N	0	0	407.459	2.626	50	70		HFIARN
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)cn1	ZINC000217892574	568918684	/nfs/dbraw/zinc/91/86/84/568918684.db2.gz	OCKBWWSAZYKUPF-OAQYLSRUSA-N	0	0	414.421	2.844	50	70	biogenic	HFIARN
CC(C)C[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2[nH]1	ZINC000217920317	568919755	/nfs/dbraw/zinc/91/97/55/568919755.db2.gz	NEEKEUWZCJEYSA-RBUKOAKNSA-N	0	0	419.485	2.907	50	70	biogenic	HFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000217945255	568920657	/nfs/dbraw/zinc/92/06/57/568920657.db2.gz	NREVKUIIHIEKKD-FQEVSTJZSA-N	0	0	420.469	2.740	50	70	biogenic	HFIARN
COc1ccc(N2C(=O)[C@@H]3C(=C(C(=O)c4ccc(F)cc4)N4CCC[C@H]34)C2O)cc1	ZINC000217601193	569039038	/nfs/dbraw/zinc/03/90/38/569039038.db2.gz	YFJVTDOSLWIELC-FYQPLNBISA-N	0	0	408.429	2.669	50	70		HFIARN
COc1c2c(c(C)c(OC)c1C/C=C(\C)CCC(=O)N1CCOCC1)COC2=O	ZINC000217874806	568474187	/nfs/dbraw/zinc/47/41/87/568474187.db2.gz	XGBOQAQJALOONV-LHHJGKSTSA-N	0	0	403.475	2.810	50	70	biogenic	HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)NCC1CCOCC1	ZINC000218520915	568481392	/nfs/dbraw/zinc/48/13/92/568481392.db2.gz	FIJWCFNNZWHTLL-FXAWDEMLSA-N	0	0	420.531	2.595	50	70		HFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](C)c3nc4ccccc4[nH]3)C2=O)cc1	ZINC000218538125	568481552	/nfs/dbraw/zinc/48/15/52/568481552.db2.gz	AXJMSSUUSSSWEE-ACJLOTCBSA-N	0	0	421.457	2.654	50	70		HFIARN
C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	ZINC000218278925	568837249	/nfs/dbraw/zinc/83/72/49/568837249.db2.gz	KJXIBLLMNXGACC-UKRRQHHQSA-N	0	0	402.451	2.575	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)Nc3nc(C)c(C)s3)CS[C@@H]21	ZINC000218547246	568881228	/nfs/dbraw/zinc/88/12/28/568881228.db2.gz	YBTOAYJSQLTSDX-DIFFPNOSSA-N	0	0	405.501	2.986	50	70		HFIARN
O=C(COc1ccc(Cl)cc1Cl)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1	ZINC000217732926	568908868	/nfs/dbraw/zinc/90/88/68/568908868.db2.gz	XJYCMYDUUPASFW-OKILXGFUSA-N	0	0	409.269	2.534	50	70		HFIARN
O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1	ZINC000217812802	568913775	/nfs/dbraw/zinc/91/37/75/568913775.db2.gz	RLQFGYNMICRMSN-HNNXBMFYSA-N	0	0	403.504	2.592	50	70		HFIARN
O=C(CCS(=O)(=O)c1ccccc1)N1CCC[C@H](Cc2nc(C3CC3)no2)C1	ZINC000217812723	568913861	/nfs/dbraw/zinc/91/38/61/568913861.db2.gz	RLQFGYNMICRMSN-OAHLLOKOSA-N	0	0	403.504	2.592	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(Cn2cncn2)cc1	ZINC000218334137	568478583	/nfs/dbraw/zinc/47/85/83/568478583.db2.gz	OFKUWECXKLTWOW-QGZVFWFLSA-N	0	0	408.414	2.584	50	70		HFIARN
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1	ZINC000218012027	568923480	/nfs/dbraw/zinc/92/34/80/568923480.db2.gz	WTHWPOCNBRDQGW-FQEVSTJZSA-N	0	0	406.841	2.767	50	70		HFIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCc2c3ccccc3[nH]c2C1	ZINC000217758093	568473784	/nfs/dbraw/zinc/47/37/84/568473784.db2.gz	WWMLKDDWEUDSTE-IBGZPJMESA-N	0	0	402.454	2.584	50	70	biogenic	HFIARN
COC(=O)c1sccc1S(=O)(=O)NC[C@@](C)(O)c1cc2ccccc2s1	ZINC000217513948	568887766	/nfs/dbraw/zinc/88/77/66/568887766.db2.gz	AUNZYYBZKQLWAQ-QGZVFWFLSA-N	0	0	411.526	2.935	50	70		HFIARN
COC(=O)[C@@H](NC(=O)c1cn(-c2ccc3c(c2)OCO3)c(=O)c2ccccc12)C(C)C	ZINC000217628297	568899637	/nfs/dbraw/zinc/89/96/37/568899637.db2.gz	PEKGBMQHAFMGST-FQEVSTJZSA-N	0	0	422.437	2.647	50	70	biogenic	HFIARN
COc1ccccc1-n1c(=O)[nH]nc1C[C@@H]1CCCN(C(=O)C=Cc2ccco2)C1	ZINC000217856146	568916557	/nfs/dbraw/zinc/91/65/57/568916557.db2.gz	DMPWDULAISOEHK-OFAQMXQXSA-N	0	0	408.458	2.657	50	70		HFIARN
COC(=O)C[C@@H](c1cccnc1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217910829	568919130	/nfs/dbraw/zinc/91/91/30/568919130.db2.gz	SYNAGNJIWNFDRK-IBGZPJMESA-N	0	0	408.454	2.901	50	70	biogenic	HFIARN
NC(=O)c1ccc(NC(=O)CN2c3cccnc3Sc3ccccc3C2=O)cc1	ZINC000218197264	568476215	/nfs/dbraw/zinc/47/62/15/568476215.db2.gz	HKMHKWDNJLYESS-UHFFFAOYSA-N	0	0	404.451	2.931	50	70		HFIARN
CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCCC2)c1nc2ccccc2n1C	ZINC000218241798	568476736	/nfs/dbraw/zinc/47/67/36/568476736.db2.gz	ZIKPDEOQSFVUQR-QFIPXVFZSA-N	0	0	407.518	2.912	50	70		HFIARN
CC(C)[C@H](NC(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2ccccc2n1C	ZINC000218396529	568479778	/nfs/dbraw/zinc/47/97/78/568479778.db2.gz	KEBXADVDAGARGR-NRFANRHFSA-N	0	0	403.486	2.876	50	70		HFIARN
COC(=O)c1nc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)sc1C(C)C	ZINC000218451182	568480576	/nfs/dbraw/zinc/48/05/76/568480576.db2.gz	PHBLYTZBFDBACR-UHFFFAOYSA-N	0	0	400.460	2.861	50	70		HFIARN
COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217789950	568912156	/nfs/dbraw/zinc/91/21/56/568912156.db2.gz	ZSXYCGOPFBSZOV-MRXNPFEDSA-N	0	0	417.458	2.741	50	70	biogenic	HFIARN
O=S(=O)(c1cccnc1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1	ZINC000217803162	568913558	/nfs/dbraw/zinc/91/35/58/568913558.db2.gz	XOGNTBAXOIKYBE-CQSZACIVSA-N	0	0	402.451	2.914	50	70		HFIARN
COc1ccccc1-n1c(=O)[nH]nc1C[C@H]1CCCN(C(=O)C=Cc2ccco2)C1	ZINC000217856232	568916495	/nfs/dbraw/zinc/91/64/95/568916495.db2.gz	DMPWDULAISOEHK-SIFUEBAJSA-N	0	0	408.458	2.657	50	70		HFIARN
COC(=O)C[C@@H](c1cc(OC)c(OC(C)=O)c(OC)c1)c1cc2c(cc1O)OCO2	ZINC000218010970	568922649	/nfs/dbraw/zinc/92/26/49/568922649.db2.gz	POHKJBBCWUEXJW-ZDUSSCGKSA-N	0	0	418.398	2.758	50	70	biogenic	HFIARN
CC(C)c1nc(-c2cccc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)c2)n[nH]1	ZINC000218113102	568925978	/nfs/dbraw/zinc/92/59/78/568925978.db2.gz	FESJULJURCASTO-KRWDZBQOSA-N	0	0	418.457	2.674	50	70	biogenic	HFIARN
COCc1nnc(NC(=O)c2cnn(-c3ccc(OC)cc3)c2-n2cccc2)s1	ZINC000218250170	568476809	/nfs/dbraw/zinc/47/68/09/568476809.db2.gz	VDGKVHOEUALXIS-UHFFFAOYSA-N	0	0	410.459	2.922	50	70		HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)COc1cccc(-n2cnnc2)c1	ZINC000218307428	568478235	/nfs/dbraw/zinc/47/82/35/568478235.db2.gz	VLBVGXMQGHNKIE-INIZCTEOSA-N	0	0	420.473	2.520	50	70		HFIARN
O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@H]2COc3ccccc3O2)c1	ZINC000218279767	568837227	/nfs/dbraw/zinc/83/72/27/568837227.db2.gz	IYHUGHSFMYRSEZ-SFHVURJKSA-N	0	0	422.441	2.588	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3nc(C)c(C)s3)CS[C@H]21	ZINC000218547329	568881194	/nfs/dbraw/zinc/88/11/94/568881194.db2.gz	YBTOAYJSQLTSDX-APPDUMDISA-N	0	0	405.501	2.986	50	70		HFIARN
O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@@H]1COc2ccccc2O1	ZINC000217488737	568884444	/nfs/dbraw/zinc/88/44/44/568884444.db2.gz	DHYFRGILWHGGSH-IBGZPJMESA-N	0	0	415.409	2.896	50	70		HFIARN
COC(=O)c1ccc(NC(=O)C(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1	ZINC000217519824	568887979	/nfs/dbraw/zinc/88/79/79/568887979.db2.gz	DDJYTGBNAQUBLR-OAQYLSRUSA-N	0	0	412.467	2.650	50	70		HFIARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCC3)o1)CC2	ZINC000217678576	568905086	/nfs/dbraw/zinc/90/50/86/568905086.db2.gz	SNFPCQIHJVVIML-UHFFFAOYSA-N	0	0	400.475	2.517	50	70	biogenic	HFIARN
Cc1cc(S(=O)(=O)N2CC[C@@H](N3C(=O)CSC3=O)C2)c(Cl)cc1Cl	ZINC000217789172	568912089	/nfs/dbraw/zinc/91/20/89/568912089.db2.gz	BYCUPWBLAJGCTH-SECBINFHSA-N	0	0	409.316	2.760	50	70		HFIARN
COc1ccc(NC(C)=O)cc1NC(=O)c1c(C)cc(C)n(C[C@H]2CCCO2)c1=O	ZINC000218493314	568480950	/nfs/dbraw/zinc/48/09/50/568480950.db2.gz	CTYJDLXQAHAFEI-QGZVFWFLSA-N	0	0	413.474	2.863	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)NCC1CCOCC1	ZINC000218521075	568481321	/nfs/dbraw/zinc/48/13/21/568481321.db2.gz	FIJWCFNNZWHTLL-YLJYHZDGSA-N	0	0	420.531	2.595	50	70		HFIARN
O=C(CNC(=O)OCc1ccccc1)Nc1cnn(C[C@@H]2COc3ccccc3O2)c1	ZINC000218279717	568837267	/nfs/dbraw/zinc/83/72/67/568837267.db2.gz	IYHUGHSFMYRSEZ-GOSISDBHSA-N	0	0	422.441	2.588	50	70		HFIARN
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1	ZINC000217473696	568883296	/nfs/dbraw/zinc/88/32/96/568883296.db2.gz	NDXMFGARJLIIQA-KRWDZBQOSA-N	0	0	424.354	2.979	50	70		HFIARN
COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217650969	568901748	/nfs/dbraw/zinc/90/17/48/568901748.db2.gz	NHSRAKPSDJALQH-INIZCTEOSA-N	0	0	415.442	2.755	50	70	biogenic	HFIARN
Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)cc(=O)n1C	ZINC000217775380	568911430	/nfs/dbraw/zinc/91/14/30/568911430.db2.gz	PAAJPIAEGGXXHI-ZDUSSCGKSA-N	0	0	416.421	2.555	50	70		HFIARN
Cc1cc(OC2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)CC2)cc(=O)n1C	ZINC000217777609	568911458	/nfs/dbraw/zinc/91/14/58/568911458.db2.gz	KYECKWSUGXALPY-UHFFFAOYSA-N	0	0	424.476	2.766	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC(C)C)[C@H]21	ZINC000217797509	568912873	/nfs/dbraw/zinc/91/28/73/568912873.db2.gz	QXNGVJJXQLVAQU-NRFANRHFSA-N	0	0	423.469	2.591	50	70	biogenic	HFIARN
O=C(/C=C\c1ccc2c(c1)OCO2)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217840333	568915744	/nfs/dbraw/zinc/91/57/44/568915744.db2.gz	JJGHKRSYZDNJEZ-DQOPKJQZSA-N	0	0	419.441	2.750	50	70		HFIARN
O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1OC(F)(F)F	ZINC000217865295	568916774	/nfs/dbraw/zinc/91/67/74/568916774.db2.gz	TZICDWRHJDIYJL-UHFFFAOYSA-N	0	0	412.393	2.822	50	70		HFIARN
CC(C)CCn1cnc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2c1=O	ZINC000218055204	568925011	/nfs/dbraw/zinc/92/50/11/568925011.db2.gz	IQOWJEJRTUTSET-UHFFFAOYSA-N	0	0	417.469	2.791	50	70	biogenic	HFIARN
CSCC[C@@H](CO)NC(=O)c1cnn(-c2ccc(Br)cc2F)c1C	ZINC000218419229	568931439	/nfs/dbraw/zinc/93/14/39/568931439.db2.gz	IOLPANUVLOPXEK-LBPRGKRZSA-N	0	0	416.316	2.926	50	70		HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCn1cnc2ccccc2c1=O	ZINC000218164906	568475942	/nfs/dbraw/zinc/47/59/42/568475942.db2.gz	VDLCCQLYTRWXMU-INIZCTEOSA-N	0	0	419.485	2.660	50	70		HFIARN
COc1cn(CC(=O)NCCn2ccc3ccc(Br)cc32)c(C)cc1=O	ZINC000218195576	568476110	/nfs/dbraw/zinc/47/61/10/568476110.db2.gz	OYOWLWJLUJJPJW-UHFFFAOYSA-N	0	0	418.291	2.699	50	70		HFIARN
CC(C)n1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@H]1CCOC(C)(C)C1	ZINC000218271754	568477189	/nfs/dbraw/zinc/47/71/89/568477189.db2.gz	RJQRCELQXGHWGE-BLLLJJGKSA-N	0	0	405.524	2.859	50	70		HFIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)N2CCN(c3ccccn3)CC2)n1	ZINC000218326079	568478522	/nfs/dbraw/zinc/47/85/22/568478522.db2.gz	LRITXLLJEHFVLL-NRFANRHFSA-N	0	0	416.529	2.860	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)Nc1cc(C)n(C)n1	ZINC000218452887	568480575	/nfs/dbraw/zinc/48/05/75/568480575.db2.gz	YOTXPNWXLCNQIZ-QFBILLFUSA-N	0	0	416.503	2.733	50	70		HFIARN
O=C(Nc1ccccc1Cc1nc(-c2cnccn2)no1)[C@H]1COc2ccccc2O1	ZINC000217488820	568884504	/nfs/dbraw/zinc/88/45/04/568884504.db2.gz	DHYFRGILWHGGSH-LJQANCHMSA-N	0	0	415.409	2.896	50	70		HFIARN
COc1cc2c(cc1OC)CN(Cc1oc(CN3CCCCC3)cc(=O)c1O)CC2	ZINC000217823888	568914817	/nfs/dbraw/zinc/91/48/17/568914817.db2.gz	GEWOKIKBGKTFNA-UHFFFAOYSA-N	0	0	414.502	2.907	50	70	biogenic	HFIARN
O=C(c1ccc2nsnc2c1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217844381	568915855	/nfs/dbraw/zinc/91/58/55/568915855.db2.gz	AEGFIYQVCSQJIS-LBPRGKRZSA-N	0	0	407.459	2.626	50	70		HFIARN
CC(C)[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O)c1nc2ccccc2n1C	ZINC000217875356	568917340	/nfs/dbraw/zinc/91/73/40/568917340.db2.gz	JVYKACNAMBILMM-PXNSSMCTSA-N	0	0	419.485	2.527	50	70	biogenic	HFIARN
O=S(=O)(NCCn1ccnc1-c1ccccn1)c1ccccc1Br	ZINC000217865802	569050887	/nfs/dbraw/zinc/05/08/87/569050887.db2.gz	CNYWFKSEBVLAKN-UHFFFAOYSA-N	0	0	407.293	2.686	50	70		HFIARN
CC(C)C[C@H](NC(=O)CCCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1	ZINC000218195839	568476123	/nfs/dbraw/zinc/47/61/23/568476123.db2.gz	XZNBNPNCSQYOGB-INIZCTEOSA-N	0	0	420.473	2.633	50	70		HFIARN
COC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)cc1	ZINC000218196148	568476292	/nfs/dbraw/zinc/47/62/92/568476292.db2.gz	LZDFZGYXZDVLNC-INIZCTEOSA-N	0	0	415.833	2.576	50	70		HFIARN
CCCn1cc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)c(C)n1	ZINC000218218523	568476524	/nfs/dbraw/zinc/47/65/24/568476524.db2.gz	FMJHUDZPEXMPBV-SFHVURJKSA-N	0	0	422.489	2.575	50	70		HFIARN
CC[C@H](C)[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2[nH]1	ZINC000218271917	568477205	/nfs/dbraw/zinc/47/72/05/568477205.db2.gz	IEKOVMKHDPVVEZ-UGSOOPFHSA-N	0	0	405.458	2.848	50	70		HFIARN
CC(C)CCn1cnc2ccc(NC(=O)Cn3ncc4ccccc4c3=O)cc2c1=O	ZINC000218556269	568481761	/nfs/dbraw/zinc/48/17/61/568481761.db2.gz	MTOGZEQRMMXLRI-UHFFFAOYSA-N	0	0	417.469	2.791	50	70		HFIARN
O=C(C(c1ccccc1)c1ccccc1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217612004	568898930	/nfs/dbraw/zinc/89/89/30/568898930.db2.gz	SUBGOCBXCBGZPC-UHFFFAOYSA-N	0	0	400.482	2.988	50	70		HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1cccnc1	ZINC000217658605	568903412	/nfs/dbraw/zinc/90/34/12/568903412.db2.gz	ONKSYAWOLTVLBR-JOCHJYFZSA-N	0	0	412.449	2.903	50	70	biogenic	HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1cccnc1	ZINC000217658693	568903449	/nfs/dbraw/zinc/90/34/49/568903449.db2.gz	ONKSYAWOLTVLBR-QFIPXVFZSA-N	0	0	412.449	2.903	50	70	biogenic	HFIARN
O=C1CCC(=O)N1C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(F)(F)F)cc1	ZINC000217768407	568911193	/nfs/dbraw/zinc/91/11/93/568911193.db2.gz	DOTNDARFPZGLPK-PBWFPOADSA-N	0	0	416.421	2.539	50	70		HFIARN
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCCc1c[nH]cn1)C(=O)OC2	ZINC000217842106	568915874	/nfs/dbraw/zinc/91/58/74/568915874.db2.gz	ALEVTASLMSMTAJ-YIXHJXPBSA-N	0	0	413.474	2.731	50	70	biogenic	HFIARN
CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21	ZINC000217933854	568920344	/nfs/dbraw/zinc/92/03/44/568920344.db2.gz	JHAMRKLKOHHOMU-NRFANRHFSA-N	0	0	407.470	2.733	50	70	biogenic	HFIARN
COc1ccc2cnn(CC(=O)N3CCCC[C@H]3c3cccnc3)c(=O)c2c1OC	ZINC000218061890	568924972	/nfs/dbraw/zinc/92/49/72/568924972.db2.gz	CJOWIKUOGZKPDS-KRWDZBQOSA-N	0	0	408.458	2.563	50	70	biogenic	HFIARN
C[C@H](C(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccc(C[C@@H]2CCCC2=O)cc1	ZINC000218246153	568476822	/nfs/dbraw/zinc/47/68/22/568476822.db2.gz	JDZDHQJHNYHAKL-KXBFYZLASA-N	0	0	414.527	2.666	50	70		HFIARN
COC(=O)C[C@@H](c1ccc2nccnc2c1)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000218273791	568477227	/nfs/dbraw/zinc/47/72/27/568477227.db2.gz	YALACDSCXNNFHM-KRWDZBQOSA-N	0	0	423.469	2.970	50	70		HFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1	ZINC000218552483	568481754	/nfs/dbraw/zinc/48/17/54/568481754.db2.gz	FSUBVHAIWLBSEJ-VQTJNVASSA-N	0	0	423.469	2.500	50	70		HFIARN
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN3CCCCC3)o1)CC2	ZINC000217774817	568911344	/nfs/dbraw/zinc/91/13/44/568911344.db2.gz	CQBHMFRQXLCSLV-UHFFFAOYSA-N	0	0	414.502	2.907	50	70	biogenic	HFIARN
CC(C)n1c(CCNC(=O)[C@H](Cc2ccccc2)n2cnnn2)nc2ccccc21	ZINC000218244036	568928593	/nfs/dbraw/zinc/92/85/93/568928593.db2.gz	ZHPVGZNCEGXHRE-FQEVSTJZSA-N	0	0	403.490	2.746	50	70		HFIARN
O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000217536829	568472673	/nfs/dbraw/zinc/47/26/73/568472673.db2.gz	REXKTIJMPTYVAG-XHSDSOJGSA-N	0	0	411.889	2.501	50	70		HFIARN
Cn1c(CNC(=O)COc2cc(O)c3c(c2)OC(C)(C)CC3=O)nc2ccccc21	ZINC000217815235	568474062	/nfs/dbraw/zinc/47/40/62/568474062.db2.gz	MZWGBGDFTNYGOQ-UHFFFAOYSA-N	0	0	409.442	2.718	50	70	biogenic	HFIARN
CC(C)n1nccc1[C@H]1SCC(=O)Nc2c1c(=O)[nH]n2[C@@H]1CCOC(C)(C)C1	ZINC000218271642	568477210	/nfs/dbraw/zinc/47/72/10/568477210.db2.gz	RJQRCELQXGHWGE-MLGOLLRUSA-N	0	0	405.524	2.859	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1cccc(Oc2ncccn2)c1	ZINC000218306281	568478238	/nfs/dbraw/zinc/47/82/38/568478238.db2.gz	NLBDCYSKXKEJFU-CQSZACIVSA-N	0	0	407.382	2.575	50	70		HFIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1cccc(Oc2ncccn2)c1	ZINC000218306316	568478251	/nfs/dbraw/zinc/47/82/51/568478251.db2.gz	NLBDCYSKXKEJFU-AWEZNQCLSA-N	0	0	407.382	2.575	50	70		HFIARN
COc1ccc(CCc2nnc(NC(=O)c3cn(C)c(=O)c4ccccc34)[nH]2)cc1	ZINC000218415081	568844071	/nfs/dbraw/zinc/84/40/71/568844071.db2.gz	DIIWNCOTSFOBPN-UHFFFAOYSA-N	0	0	403.442	2.703	50	70		HFIARN
CN(Cc1ccccc1)C(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217664625	568903648	/nfs/dbraw/zinc/90/36/48/568903648.db2.gz	ZWSPLEXQJUFOEM-FQEVSTJZSA-N	0	0	404.470	2.680	50	70	biogenic	HFIARN
O=C(C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1)c1c[nH]c2ccccc12	ZINC000217842027	568915652	/nfs/dbraw/zinc/91/56/52/568915652.db2.gz	MOVYOSOXGVTDSX-CQSZACIVSA-N	0	0	416.441	2.672	50	70		HFIARN
COc1ccccc1-n1c(=O)[nH]nc1C[C@H]1CCCN(C(=O)c2cc(C)oc2C)C1	ZINC000217856481	568916476	/nfs/dbraw/zinc/91/64/76/568916476.db2.gz	MMBSSLLSFIMLJL-MRXNPFEDSA-N	0	0	410.474	2.874	50	70		HFIARN
Cn1nc(CN(Cc2ccco2)S(=O)(=O)c2ccc3c(c2)CCO3)c2c1CCC2	ZINC000217907900	568919109	/nfs/dbraw/zinc/91/91/09/568919109.db2.gz	VTVQFANNXKDNCO-UHFFFAOYSA-N	0	0	413.499	2.828	50	70		HFIARN
COC(=O)[C@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	ZINC000217958101	568921088	/nfs/dbraw/zinc/92/10/88/568921088.db2.gz	NCOZWMOBAAANPD-AZUAARDMSA-N	0	0	423.444	2.906	50	70		HFIARN
COc1cc2nc(CSCCNC(=O)c3cccs3)[nH]c(=O)c2cc1OC	ZINC000218145112	568475814	/nfs/dbraw/zinc/47/58/14/568475814.db2.gz	LUSDKPTYJGGYST-UHFFFAOYSA-N	0	0	405.501	2.665	50	70		HFIARN
COc1ccccc1CCN1C[C@@H](C(=O)Nc2cccc(-c3nc[nH]n3)c2)CC1=O	ZINC000218267161	568477045	/nfs/dbraw/zinc/47/70/45/568477045.db2.gz	DFXJCVAGFDHPTJ-KRWDZBQOSA-N	0	0	405.458	2.510	50	70		HFIARN
CC(C)CCn1cnc2ccc(NC(=O)C3(n4cnnn4)CCCCC3)cc2c1=O	ZINC000218538224	568481509	/nfs/dbraw/zinc/48/15/09/568481509.db2.gz	UEQHLXMZVBTTHD-UHFFFAOYSA-N	0	0	409.494	2.727	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC(C)C)[C@H]21	ZINC000217737398	568908954	/nfs/dbraw/zinc/90/89/54/568908954.db2.gz	HQTLFPGIFZVHQO-NRFANRHFSA-N	0	0	423.469	2.733	50	70	biogenic	HFIARN
Cc1ccccc1Oc1ccc(S(=O)(=O)N2CC(N3C(=O)CSC3=O)C2)cc1	ZINC000217750005	568909489	/nfs/dbraw/zinc/90/94/89/568909489.db2.gz	TXGJJGUEKWRONH-UHFFFAOYSA-N	0	0	418.496	2.856	50	70		HFIARN
Cc1cc(OC2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cc(=O)n1C	ZINC000217778826	568911375	/nfs/dbraw/zinc/91/13/75/568911375.db2.gz	MERMCFHFDAVKEE-UHFFFAOYSA-N	0	0	414.886	2.718	50	70		HFIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1ccco1	ZINC000217907424	568919028	/nfs/dbraw/zinc/91/90/28/568919028.db2.gz	WFNPUAMZARGBTQ-NRFANRHFSA-N	0	0	401.422	2.753	50	70	biogenic	HFIARN
O=C(NCCc1nc(-c2ccccc2)cs1)[C@H](Cc1ccccc1)n1cnnn1	ZINC000218196056	568476308	/nfs/dbraw/zinc/47/63/08/568476308.db2.gz	JKIPNYWMWVROQS-IBGZPJMESA-N	0	0	404.499	2.939	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(Cn2cncn2)cc1	ZINC000218334222	568478582	/nfs/dbraw/zinc/47/85/82/568478582.db2.gz	OFKUWECXKLTWOW-KRWDZBQOSA-N	0	0	408.414	2.584	50	70		HFIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCC(c4ccccc4)CC3)C2=O)cc1	ZINC000218520705	568481314	/nfs/dbraw/zinc/48/13/14/568481314.db2.gz	BDSKOWUCRDTSBA-FQEVSTJZSA-N	0	0	407.470	2.916	50	70		HFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1	ZINC000218552419	568481742	/nfs/dbraw/zinc/48/17/42/568481742.db2.gz	FSUBVHAIWLBSEJ-PMACEKPBSA-N	0	0	423.469	2.500	50	70		HFIARN
CC(C)Cn1c2ccccc2nc1[C@@H]1CCCN1C(=O)CCNC(=O)c1cnccn1	ZINC000218614697	568482518	/nfs/dbraw/zinc/48/25/18/568482518.db2.gz	WUEIVRMAGGZMOI-FQEVSTJZSA-N	0	0	420.517	2.966	50	70		HFIARN
CC(C)C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2n1C	ZINC000218484096	568878514	/nfs/dbraw/zinc/87/85/14/568878514.db2.gz	GPDIKRVGDMRFLV-KRWDZBQOSA-N	0	0	408.506	2.777	50	70		HFIARN
COc1ccc([C@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC	ZINC000217496431	568885485	/nfs/dbraw/zinc/88/54/85/568885485.db2.gz	WEKCKIOCRGFOHR-GFCCVEGCSA-N	0	0	421.393	2.614	50	70		HFIARN
Cc1cc(OC2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)cc(=O)n1C	ZINC000217778932	568911568	/nfs/dbraw/zinc/91/15/68/568911568.db2.gz	CEYOKAPWTPOZTR-UHFFFAOYSA-N	0	0	416.543	2.805	50	70		HFIARN
O=C(Cc1noc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217838477	568915567	/nfs/dbraw/zinc/91/55/67/568915567.db2.gz	DKBTWWLYPADEEO-AWEZNQCLSA-N	0	0	404.430	2.692	50	70		HFIARN
O=C(c1cnc2ccccc2n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217843345	568915902	/nfs/dbraw/zinc/91/59/02/568915902.db2.gz	PKEKQTRZFMSZJW-CQSZACIVSA-N	0	0	401.430	2.565	50	70		HFIARN
COc1ccc([C@@H](O)CNS(=O)(=O)c2ccccc2OC(F)(F)F)cc1OC	ZINC000217496518	568885590	/nfs/dbraw/zinc/88/55/90/568885590.db2.gz	WEKCKIOCRGFOHR-LBPRGKRZSA-N	0	0	421.393	2.614	50	70		HFIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2c1cccc2Cl	ZINC000217621681	568899306	/nfs/dbraw/zinc/89/93/06/568899306.db2.gz	WRAWYPRGMMWOFF-KRWDZBQOSA-N	0	0	410.861	2.552	50	70	biogenic	HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCC1CCOCC1	ZINC000217780419	568911530	/nfs/dbraw/zinc/91/15/30/568911530.db2.gz	SSVOJKDTSZDFDZ-QFIPXVFZSA-N	0	0	419.481	2.734	50	70	biogenic	HFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCC1CCOCC1	ZINC000217780339	568911545	/nfs/dbraw/zinc/91/15/45/568911545.db2.gz	SSVOJKDTSZDFDZ-JOCHJYFZSA-N	0	0	419.481	2.734	50	70	biogenic	HFIARN
Cc1cc(S(=O)(=O)N2CC[C@H](N3C(=O)CSC3=O)C2)c(Cl)cc1Cl	ZINC000217789083	568912083	/nfs/dbraw/zinc/91/20/83/568912083.db2.gz	BYCUPWBLAJGCTH-VIFPVBQESA-N	0	0	409.316	2.760	50	70		HFIARN
CC(=O)Nc1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)c(C)c1	ZINC000217893786	568918605	/nfs/dbraw/zinc/91/86/05/568918605.db2.gz	HRIXMRKUZOWINL-UHFFFAOYSA-N	0	0	404.517	2.857	50	70		HFIARN
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1cc(=O)c2ccccc2o1	ZINC000217892313	568918639	/nfs/dbraw/zinc/91/86/39/568918639.db2.gz	VBNYBXZFXQOQCW-BBRMVZONSA-N	0	0	411.385	2.767	50	70		HFIARN
CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21	ZINC000217933765	568920261	/nfs/dbraw/zinc/92/02/61/568920261.db2.gz	JHAMRKLKOHHOMU-OAQYLSRUSA-N	0	0	407.470	2.733	50	70	biogenic	HFIARN
COc1cc2c(c(OC)c1OC)[C@H](c1cc(OC)c3c(c1)OCCO3)CC(=O)O2	ZINC000217983057	568922008	/nfs/dbraw/zinc/92/20/08/568922008.db2.gz	VJMYCARQSUKDLG-LBPRGKRZSA-N	0	0	402.399	2.933	50	70	biogenic	HFIARN
O=C1Nc2ccccc2[C@]12[C@@H]1C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12	ZINC000217699073	568473524	/nfs/dbraw/zinc/47/35/24/568473524.db2.gz	MFWGSYNXWRPJDO-SUWCGCSTSA-N	0	0	407.857	2.771	50	70		HFIARN
COc1ccc2cc(NC(=O)[C@@H]3CC(=O)N(CCc4ccc(O)cc4)C3)cnc2c1	ZINC000217821566	568474130	/nfs/dbraw/zinc/47/41/30/568474130.db2.gz	DUZVWJGNBQGGFU-QGZVFWFLSA-N	0	0	405.454	2.979	50	70	biogenic	HFIARN
Cn1cnc2cc(NC(=O)C[C@@H]3NC(=O)N(Cc4ccccc4Cl)C3=O)ccc21	ZINC000218253236	568476868	/nfs/dbraw/zinc/47/68/68/568476868.db2.gz	WVQHKOYCORAUOS-INIZCTEOSA-N	0	0	411.849	2.676	50	70		HFIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(Cl)c(C(N)=O)c1	ZINC000218275874	568477326	/nfs/dbraw/zinc/47/73/26/568477326.db2.gz	VZXNOQAFKZSZRV-CQSZACIVSA-N	0	0	404.806	2.696	50	70		HFIARN
CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC3CCOCC3)c2)cc1	ZINC000218222371	568836537	/nfs/dbraw/zinc/83/65/37/568836537.db2.gz	UXEJQTANAJCLAL-UHFFFAOYSA-N	0	0	405.520	2.673	50	70		HFIARN
COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217650908	568901616	/nfs/dbraw/zinc/90/16/16/568901616.db2.gz	NHSRAKPSDJALQH-MRXNPFEDSA-N	0	0	415.442	2.755	50	70	biogenic	HFIARN
O=C(Cc1noc2ccccc21)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217838398	568915451	/nfs/dbraw/zinc/91/54/51/568915451.db2.gz	DKBTWWLYPADEEO-CQSZACIVSA-N	0	0	404.430	2.692	50	70		HFIARN
O=C(c1cc(-c2ccco2)on1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217837452	568915459	/nfs/dbraw/zinc/91/54/59/568915459.db2.gz	ROEWUGWALUGGBD-CYBMUJFWSA-N	0	0	406.402	2.870	50	70		HFIARN
COC(=O)[C@@H]1C[C@H](Oc2ccccc2F)CN1C(=O)c1ccc(Cn2ccnc2)cc1	ZINC000217958025	568921031	/nfs/dbraw/zinc/92/10/31/568921031.db2.gz	NCOZWMOBAAANPD-ICSRJNTNSA-N	0	0	423.444	2.906	50	70		HFIARN
COc1ccc2c(c1)CCC[C@]2(O)CNC(=O)C(=O)Nc1cccc(Cl)c1C	ZINC000218011921	568923442	/nfs/dbraw/zinc/92/34/42/568923442.db2.gz	JAMFPADWRHTESA-NRFANRHFSA-N	0	0	402.878	2.936	50	70		HFIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1sc2[nH]cnc(=O)c2c1C	ZINC000218543074	568936789	/nfs/dbraw/zinc/93/67/89/568936789.db2.gz	GZGCYTLYQBSMLI-LBPRGKRZSA-N	0	0	411.487	2.780	50	70		HFIARN