smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(Br)c1[O-]	ZINC000012469917	520634963	/nfs/dbraw/zinc/63/49/63/520634963.db2.gz	NNCJAYXNWGCZMG-GDNBJRDFSA-N	-1	3	442.400	5.087	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763071	523880640	/nfs/dbraw/zinc/88/06/40/523880640.db2.gz	HUTPKVVZGOFERR-FYYLOGMGSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765247	523881477	/nfs/dbraw/zinc/88/14/77/523881477.db2.gz	NKROSSWXTGVBLW-REWPJTCUSA-N	-1	3	445.321	6.069	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763384	523903162	/nfs/dbraw/zinc/90/31/62/523903162.db2.gz	XRJYCWVMCYRRJI-VWNXMTODSA-N	-1	3	425.359	6.484	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763394	523903433	/nfs/dbraw/zinc/90/34/33/523903433.db2.gz	XRJYCWVMCYRRJI-UPVQGACJSA-N	-1	3	425.359	6.484	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000020762943	524234135	/nfs/dbraw/zinc/23/41/35/524234135.db2.gz	IQSSOLMBPHDADS-JTHBVZDNSA-N	-1	3	439.328	5.825	50	10		IKCAHM
Cc1cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)c(C)n1-c1ccc(C)cc1	ZINC000012523513	526214420	/nfs/dbraw/zinc/21/44/20/526214420.db2.gz	DMSCGXAHVZITKB-UHFFFAOYSA-N	-1	3	432.549	5.038	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(Cl)c2)N1	ZINC000020764969	526347221	/nfs/dbraw/zinc/34/72/21/526347221.db2.gz	OYKFIMGHJCAGEJ-WMZHIEFXSA-N	-1	3	441.314	5.650	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000020763176	526375793	/nfs/dbraw/zinc/37/57/93/526375793.db2.gz	LHKFLWITZTXWMU-IFMALSPDSA-N	-1	3	441.756	6.031	50	10		IKCAHM
O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000012375654	527255291	/nfs/dbraw/zinc/25/52/91/527255291.db2.gz	HEQWCUKWRYJVJE-IMWIBFENSA-N	-1	3	438.499	5.592	50	10		IKCAHM
COc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000001123289	555639031	/nfs/dbraw/zinc/63/90/31/555639031.db2.gz	HOEHTUVWUFWSIG-MKMNVTDBSA-N	-1	3	430.309	5.253	50	10		IKCAHM
O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(Cl)cc1	ZINC000001213473	555683053	/nfs/dbraw/zinc/68/30/53/555683053.db2.gz	LRNSEWVOKBURRE-UHFFFAOYSA-N	-1	3	448.978	5.607	50	10		IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc21	ZINC000001747702	555712099	/nfs/dbraw/zinc/71/20/99/555712099.db2.gz	DASVCTYXBDDNAZ-UHFFFAOYSA-N	-1	3	425.834	5.680	50	10	biogenic	IKCAHM
O=C(Cc1ccc(Cl)cc1)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000002145465	555749058	/nfs/dbraw/zinc/74/90/58/555749058.db2.gz	KFIAFFKOSKETKY-UHFFFAOYSA-N	-1	3	443.355	5.280	50	10		IKCAHM
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)c1	ZINC000002184797	555754867	/nfs/dbraw/zinc/75/48/67/555754867.db2.gz	BODILRLAGGKQBA-UHFFFAOYSA-N	-1	3	442.587	5.571	50	10		IKCAHM
COc1ccc([C@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1OC	ZINC000002870332	555849359	/nfs/dbraw/zinc/84/93/59/555849359.db2.gz	JBXAVKWEIYMUAH-MHZLTWQESA-N	-1	3	427.500	5.011	50	10		IKCAHM
O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000002879241	555853924	/nfs/dbraw/zinc/85/39/24/555853924.db2.gz	HEQWCUKWRYJVJE-YDIMBITNSA-N	-1	3	438.499	5.592	50	10		IKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c([O-])c2n1	ZINC000008432705	556172076	/nfs/dbraw/zinc/17/20/76/556172076.db2.gz	YAKIHTLSDZJKPO-MHZLTWQESA-N	-1	3	447.538	6.424	50	10		IKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccc(OCc4ccccc4)cc3)c([O-])c2n1	ZINC000008432701	556172124	/nfs/dbraw/zinc/17/21/24/556172124.db2.gz	YAKIHTLSDZJKPO-HHHXNRCGSA-N	-1	3	447.538	6.424	50	10		IKCAHM
Cc1ccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000008454120	556184645	/nfs/dbraw/zinc/18/46/45/556184645.db2.gz	NUNRFKNXAHVCNW-QHWMMSMNSA-N	-1	3	444.600	6.239	50	10		IKCAHM
CCCCSc1nnc2c(n1)O[C@H](c1c([O-])ccc3ccccc31)Nc1ccccc1-2	ZINC000008456315	556185846	/nfs/dbraw/zinc/18/58/46/556185846.db2.gz	JKIGBLWAOQRVAK-JOCHJYFZSA-N	-1	3	430.533	5.793	50	10		IKCAHM
CCCCSc1nnc2c(n1)O[C@@H](c1c([O-])ccc3ccccc31)Nc1ccccc1-2	ZINC000008456314	556185897	/nfs/dbraw/zinc/18/58/97/556185897.db2.gz	JKIGBLWAOQRVAK-QFIPXVFZSA-N	-1	3	430.533	5.793	50	10		IKCAHM
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000013634618	556540595	/nfs/dbraw/zinc/54/05/95/556540595.db2.gz	KLLKBTDTOANIRJ-HWBMXIPRSA-N	-1	3	432.545	5.323	50	10		IKCAHM
Cc1ccc([C@@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000015821823	556553959	/nfs/dbraw/zinc/55/39/59/556553959.db2.gz	OQNQXFLPBUDTCY-HSZRJFAPSA-N	-1	3	432.907	5.187	50	10	biogenic	IKCAHM
CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-]	ZINC000015947815	556568693	/nfs/dbraw/zinc/56/86/93/556568693.db2.gz	GDAVIIMNADPHBO-RBHXEPJQSA-N	-1	3	427.353	5.713	50	10		IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc21	ZINC000019791751	556915158	/nfs/dbraw/zinc/91/51/58/556915158.db2.gz	QASQLTTYUJWQMY-UHFFFAOYSA-N	-1	3	435.442	5.768	50	10	biogenic	IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)c1	ZINC000019791776	556915242	/nfs/dbraw/zinc/91/52/42/556915242.db2.gz	JJCYRYOLVFFJQF-UHFFFAOYSA-N	-1	3	433.426	5.604	50	10	biogenic	IKCAHM
CC[C@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21	ZINC000020329108	557007883	/nfs/dbraw/zinc/00/78/83/557007883.db2.gz	PSQOCDMLJRKTTP-SFHVURJKSA-N	-1	3	425.956	5.816	50	10		IKCAHM
O=C1N=C(Nc2ccccc2)SC1=Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1[O-]	ZINC000207097626	557178237	/nfs/dbraw/zinc/17/82/37/557178237.db2.gz	OMZMBFWEZGVZJM-FMCGGJTJSA-N	-1	3	430.573	5.942	50	10		IKCAHM
Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000101060429	557218969	/nfs/dbraw/zinc/21/89/69/557218969.db2.gz	FUPPOJVVPYHIHF-QFIPXVFZSA-N	-1	3	441.369	6.643	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccsc1	ZINC000102005937	557311934	/nfs/dbraw/zinc/31/19/34/557311934.db2.gz	GORQYQJYNCVMMB-PXNSSMCTSA-N	-1	3	427.323	5.459	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1cccs1	ZINC000103562687	557438987	/nfs/dbraw/zinc/43/89/87/557438987.db2.gz	RWCIOJVTDOHHSH-UZLBHIALSA-N	-1	3	427.323	5.459	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C)cc2)N3)cc1	ZINC000107174490	557535157	/nfs/dbraw/zinc/53/51/57/557535157.db2.gz	IBIOMFGDGXSFOT-PLXFJCCSSA-N	-1	3	446.572	5.631	50	10		IKCAHM
C[C@H]1CCC[C@H](C)N1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O	ZINC000002199953	562926306	/nfs/dbraw/zinc/92/63/06/562926306.db2.gz	WNYYRVZLSZMJQM-KBPBESRZSA-N	-1	3	435.549	5.120	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1	ZINC000019792870	563022971	/nfs/dbraw/zinc/02/29/71/563022971.db2.gz	KHWDWMQAZPISJY-HNNXBMFYSA-N	-1	3	447.453	5.993	50	10		IKCAHM
Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(c3ccccn3)CC2)cc1	ZINC000000952306	568645568	/nfs/dbraw/zinc/64/55/68/568645568.db2.gz	DNDQEZSOXMZIBM-VWLOTQADSA-N	-1	3	444.966	5.209	50	10		IKCAHM
O=C(CCc1nc(-c2ccco2)no1)N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000084522603	568798300	/nfs/dbraw/zinc/79/83/00/568798300.db2.gz	UQCITIDNPFDASO-VWLOTQADSA-N	-1	3	439.471	5.027	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363136	568866424	/nfs/dbraw/zinc/86/64/24/568866424.db2.gz	GKGXRKGMHJWPCX-RCZVLFRGSA-N	-1	3	436.939	5.675	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053362945	568866429	/nfs/dbraw/zinc/86/64/29/568866429.db2.gz	IPRWOGKLDASVPD-GMAHTHKFSA-N	-1	3	427.331	5.930	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053362994	568866431	/nfs/dbraw/zinc/86/64/31/568866431.db2.gz	LHKFLWITZTXWMU-IRLDBZIGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1	ZINC000053363032	568866435	/nfs/dbraw/zinc/86/64/35/568866435.db2.gz	LUORFBZPFSYLMJ-IFMALSPDSA-N	-1	3	425.301	5.516	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363537	568866627	/nfs/dbraw/zinc/86/66/27/568866627.db2.gz	LMENDBNAIUZLFE-NOZRDPDXSA-N	-1	3	448.950	5.617	50	10		IKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363342	568866676	/nfs/dbraw/zinc/86/66/76/568866676.db2.gz	KSGPNRNCZNNXLW-JTHBVZDNSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363399	568866680	/nfs/dbraw/zinc/86/66/80/568866680.db2.gz	BELSYEXBRQMBIE-FYYLOGMGSA-N	-1	3	437.337	5.386	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363535	568866687	/nfs/dbraw/zinc/86/66/87/568866687.db2.gz	LMENDBNAIUZLFE-UKILVPOCSA-N	-1	3	448.950	5.617	50	10		IKCAHM
COC(=O)c1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Cl)ccc3[O-])N2)cc1	ZINC000053364663	568866784	/nfs/dbraw/zinc/86/67/84/568866784.db2.gz	MNMDESKCUPUODS-UPVQGACJSA-N	-1	3	434.923	5.363	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2cccc(Br)c2)N1	ZINC000053363576	568866801	/nfs/dbraw/zinc/86/68/01/568866801.db2.gz	AVSFUACDDLSCDE-RBBKRZOGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COC(=O)c1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Cl)ccc3[O-])N2)cc1	ZINC000053364652	568866891	/nfs/dbraw/zinc/86/68/91/568866891.db2.gz	MNMDESKCUPUODS-ISKFKSNPSA-N	-1	3	434.923	5.363	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2cccc(Br)c2)N1	ZINC000053363580	568866909	/nfs/dbraw/zinc/86/69/09/568866909.db2.gz	AVSFUACDDLSCDE-UNMCSNQZSA-N	-1	3	441.756	6.031	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3cccnc3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053364885	568866973	/nfs/dbraw/zinc/86/69/73/568866973.db2.gz	FKXBSPNSQDPGIL-JTHBVZDNSA-N	-1	3	436.353	5.335	50	10		IKCAHM
COc1ccc(C(=O)N[C@@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000006397312	568876073	/nfs/dbraw/zinc/87/60/73/568876073.db2.gz	IHUQMSMIRSMDBD-PZVJUEDKSA-N	-1	3	444.918	5.787	50	10		IKCAHM
O=[N+]([O-])c1ccc(Cl)c([C@@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])c1	ZINC000036348454	569081854	/nfs/dbraw/zinc/08/18/54/569081854.db2.gz	UGUCCAKTMTZTMG-OAQYLSRUSA-N	-1	3	432.307	5.404	50	10		IKCAHM
O=[N+]([O-])c1ccc(Cl)c([C@H]2c3cccn3CCCN2Cc2cc(Cl)ccc2[O-])c1	ZINC000036348456	569081866	/nfs/dbraw/zinc/08/18/66/569081866.db2.gz	UGUCCAKTMTZTMG-NRFANRHFSA-N	-1	3	432.307	5.404	50	10		IKCAHM
COc1ccc(-c2cc3ccc([O-])c(CN4CCCC[C@@H]4c4cccnc4)c3oc2=O)cc1	ZINC000036584548	569119808	/nfs/dbraw/zinc/11/98/08/569119808.db2.gz	IJXJLSYYFJGVIV-XMMPIXPASA-N	-1	3	442.515	5.296	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@@H]2CC)c1[O-]	ZINC000002201171	569192532	/nfs/dbraw/zinc/19/25/32/569192532.db2.gz	VCRHLVZKHTUHEI-KRWDZBQOSA-N	-1	3	448.588	6.102	50	10		IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1	ZINC000011868501	569303144	/nfs/dbraw/zinc/30/31/44/569303144.db2.gz	OBIADAXJYVPFDF-CQSZACIVSA-N	-1	3	447.453	5.567	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCCC4)c3oc2C(F)(F)F)cc1	ZINC000019792867	569329413	/nfs/dbraw/zinc/32/94/13/569329413.db2.gz	YUNDLBHPFAEIRY-UHFFFAOYSA-N	-1	3	447.453	5.994	50	10		IKCAHM
CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN(CC)CC)c3oc2C(F)(F)F)cc1	ZINC000019793033	569329432	/nfs/dbraw/zinc/32/94/32/569329432.db2.gz	MDWVXZPARGVMMJ-UHFFFAOYSA-N	-1	3	435.442	5.714	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccs1	ZINC000020070775	569333375	/nfs/dbraw/zinc/33/33/75/569333375.db2.gz	RWCIOJVTDOHHSH-OXQOHEQNSA-N	-1	3	427.323	5.459	50	10		IKCAHM
COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)cc1OC	ZINC000020070783	569333397	/nfs/dbraw/zinc/33/33/97/569333397.db2.gz	JFOCPAHVCOGNAJ-CYFREDJKSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)c1OC	ZINC000020070715	569333408	/nfs/dbraw/zinc/33/34/08/569333408.db2.gz	IGIKCDMWPFJRJZ-DVECYGJZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020071048	569333535	/nfs/dbraw/zinc/33/35/35/569333535.db2.gz	WYLSVGATGUUWJC-FQRUVTKNSA-N	-1	3	446.503	5.050	50	10		IKCAHM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1ccc(Cl)c(Cl)c1	ZINC000095471564	569372022	/nfs/dbraw/zinc/37/20/22/569372022.db2.gz	PDYCASABBAQBLW-ZROIWOOFSA-N	-1	3	425.113	5.474	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@H](C)CCC[C@@H]2C)c1[O-]	ZINC000002666247	569416482	/nfs/dbraw/zinc/41/64/82/569416482.db2.gz	FIQZJFNKDJRREJ-IYBDPMFKSA-N	-1	3	448.588	6.101	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(CN2CCCCC2)c1[O-]	ZINC000002667122	569416594	/nfs/dbraw/zinc/41/65/94/569416594.db2.gz	GJAJCKRYMOYFAI-UHFFFAOYSA-N	-1	3	434.561	5.632	50	10		IKCAHM
CCOc1ccc(-c2nc3cc(NCc4cc(Br)ccc4[O-])ccc3o2)cc1	ZINC000003013780	569435478	/nfs/dbraw/zinc/43/54/78/569435478.db2.gz	NJVNHWWHMYQINK-UHFFFAOYSA-N	-1	3	439.309	5.974	50	10		IKCAHM
CSc1ccccc1NC(=O)CN(C)Cc1c([O-])ccc2cc(Br)ccc21	ZINC000003338189	569446717	/nfs/dbraw/zinc/44/67/17/569446717.db2.gz	QHYBRJKMBJXNSG-UHFFFAOYSA-N	-1	3	445.382	5.100	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3cccnc3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000058138808	569448458	/nfs/dbraw/zinc/44/84/58/569448458.db2.gz	FKXBSPNSQDPGIL-FYYLOGMGSA-N	-1	3	436.353	5.335	50	10		IKCAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Br)c2ccccc12	ZINC000008440470	569464367	/nfs/dbraw/zinc/46/43/67/569464367.db2.gz	JHPAKZNDQKBEHC-DEDYPNTBSA-N	-1	3	434.337	5.938	50	10		IKCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	ZINC000008734931	569472570	/nfs/dbraw/zinc/47/25/70/569472570.db2.gz	XBGPSIQAWCQIJE-VWLOTQADSA-N	-1	3	436.515	5.251	50	10		IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1	ZINC000008914925	569485538	/nfs/dbraw/zinc/48/55/38/569485538.db2.gz	ROYAWXPOURYKLU-AWEZNQCLSA-N	-1	3	447.453	5.425	50	10		IKCAHM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2[O-])N3)C1	ZINC000008919857	569486485	/nfs/dbraw/zinc/48/64/85/569486485.db2.gz	DNRNWSQLRCAIST-WLRWDXFRSA-N	-1	3	434.989	6.086	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000009541616	569545885	/nfs/dbraw/zinc/54/58/85/569545885.db2.gz	YJQWNAWIZLAILH-UPVQGACJSA-N	-1	3	435.365	5.940	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000009541623	569545936	/nfs/dbraw/zinc/54/59/36/569545936.db2.gz	YJQWNAWIZLAILH-VWNXMTODSA-N	-1	3	435.365	5.940	50	10		IKCAHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccc1F)N2	ZINC000009805182	569568652	/nfs/dbraw/zinc/56/86/52/569568652.db2.gz	KNZZMGPKEJZTCU-UNVFRBQDSA-N	-1	3	448.563	6.070	50	10		IKCAHM
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	ZINC000009804741	569568729	/nfs/dbraw/zinc/56/87/29/569568729.db2.gz	YVIFCSCQCFPNQE-QHWMMSMNSA-N	-1	3	444.600	6.239	50	10		IKCAHM
COc1ccc(/C=C2/C=C(c3ccccc3)N(c3ccccc3[O-])C2=O)cc1Br	ZINC000009934640	569573769	/nfs/dbraw/zinc/57/37/69/569573769.db2.gz	PPBAOGAVTSUPMQ-AQTBWJFISA-N	-1	3	448.316	5.635	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053362996	193926959	/nfs/dbraw/zinc/92/69/59/193926959.db2.gz	LHKFLWITZTXWMU-UNMCSNQZSA-N	-1	3	441.756	6.031	50	10		IKCAHM
CCOC(=O)c1c(C)oc2c1c([C@@H](c1ccccc1)N1CCOCC1)c([O-])c1ccccc21	ZINC000021539884	521402218	/nfs/dbraw/zinc/40/22/18/521402218.db2.gz	CYCUGYXZROHKEM-XMMPIXPASA-N	-1	3	445.515	5.198	50	10		IKCAHM
COc1cc2c(cc1OC)CN(Cc1cc(-c3nc4ccccc4s3)ccc1[O-])CC2	ZINC000012328846	523033278	/nfs/dbraw/zinc/03/32/78/523033278.db2.gz	ZAARZCNXLVXRNU-UHFFFAOYSA-N	-1	3	432.545	5.244	50	10		IKCAHM
COc1ccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000020755881	523724436	/nfs/dbraw/zinc/72/44/36/523724436.db2.gz	BONUUJAVGIBKMT-QFIPXVFZSA-N	-1	3	448.906	5.130	50	10	biogenic	IKCAHM
COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765235	523880611	/nfs/dbraw/zinc/88/06/11/523880611.db2.gz	NKROSSWXTGVBLW-NFBKMPQASA-N	-1	3	445.321	6.069	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763076	523881042	/nfs/dbraw/zinc/88/10/42/523881042.db2.gz	HUTPKVVZGOFERR-GGAORHGYSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3c(F)cccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765239	523881497	/nfs/dbraw/zinc/88/14/97/523881497.db2.gz	NKROSSWXTGVBLW-OFNKIYASSA-N	-1	3	445.321	6.069	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763081	523881544	/nfs/dbraw/zinc/88/15/44/523881544.db2.gz	HUTPKVVZGOFERR-JTHBVZDNSA-N	-1	3	427.331	5.930	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000020762948	524235540	/nfs/dbraw/zinc/23/55/40/524235540.db2.gz	IQSSOLMBPHDADS-GMAHTHKFSA-N	-1	3	439.328	5.825	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21	ZINC000000801034	555559364	/nfs/dbraw/zinc/55/93/64/555559364.db2.gz	MLYRZBIFYSWKHF-SANMLTNESA-N	-1	3	426.472	5.292	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21	ZINC000000801040	555559402	/nfs/dbraw/zinc/55/94/02/555559402.db2.gz	WBKUPKIFXMUTBN-AREMUKBSSA-N	-1	3	426.472	5.292	50	10		IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCC(C)CC3)c2oc1C(F)(F)F	ZINC000000946467	555588201	/nfs/dbraw/zinc/58/82/01/555588201.db2.gz	HAPWWHVZBHABBY-UHFFFAOYSA-N	-1	3	447.453	5.425	50	10		IKCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(O)c(Sc3nc4ccccc4s3)c2)cc1	ZINC000000948871	555588539	/nfs/dbraw/zinc/58/85/39/555588539.db2.gz	JZWUGBARYBOIMD-UHFFFAOYSA-N	-1	3	442.587	5.571	50	10		IKCAHM
COc1ccc([C@@H](NC(=O)Cc2ccccc2)c2c([O-])ccc3ccccc32)cc1OC	ZINC000002870333	555849363	/nfs/dbraw/zinc/84/93/63/555849363.db2.gz	JBXAVKWEIYMUAH-HHHXNRCGSA-N	-1	3	427.500	5.011	50	10		IKCAHM
COc1cccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000006431967	556087338	/nfs/dbraw/zinc/08/73/38/556087338.db2.gz	DYRXAXDGAQMJDP-QFIPXVFZSA-N	-1	3	432.907	5.430	50	10	biogenic	IKCAHM
Cc1ccnc(N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000008453096	556183861	/nfs/dbraw/zinc/18/38/61/556183861.db2.gz	QLBQGAWRCKNQDY-OAQYLSRUSA-N	-1	3	434.883	5.715	50	10		IKCAHM
O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(Cc2cc(Cl)ccc2[O-])CC1	ZINC000011938303	556379934	/nfs/dbraw/zinc/37/99/34/556379934.db2.gz	SMCOOOYSEWGAID-UHFFFAOYSA-N	-1	3	437.927	5.084	50	10		IKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2cccc(Br)c2)cc(Cl)c2cccnc12	ZINC000015016782	556486268	/nfs/dbraw/zinc/48/62/68/556486268.db2.gz	KNXAAGPALKKPMQ-LJQANCHMSA-N	-1	3	440.728	5.953	50	10		IKCAHM
COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C=Nc2ccc(Cl)cc2)cc1	ZINC000013647042	556544266	/nfs/dbraw/zinc/54/42/66/556544266.db2.gz	IDMDGOKZBTWRNC-STZFKDTASA-N	-1	3	448.866	5.004	50	10		IKCAHM
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@@H]32)c1	ZINC000020033552	556969414	/nfs/dbraw/zinc/96/94/14/556969414.db2.gz	YVIFCSCQCFPNQE-WCYRKSIYSA-N	-1	3	444.600	6.239	50	10		IKCAHM
CC[C@@H]1CCCCN1Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21	ZINC000020329101	557007983	/nfs/dbraw/zinc/00/79/83/557007983.db2.gz	PSQOCDMLJRKTTP-GOSISDBHSA-N	-1	3	425.956	5.816	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(C)c1	ZINC000111441311	557045376	/nfs/dbraw/zinc/04/53/76/557045376.db2.gz	GXQQCRJNMBUKQF-KYTVRQNUSA-N	-1	3	448.563	6.070	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1	ZINC000111478773	557045652	/nfs/dbraw/zinc/04/56/52/557045652.db2.gz	IBIOMFGDGXSFOT-JQYIIUTOSA-N	-1	3	446.572	5.631	50	10		IKCAHM
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@@H]3C=CC[C@H]32)c1	ZINC000043769601	557078835	/nfs/dbraw/zinc/07/88/35/557078835.db2.gz	YVIFCSCQCFPNQE-NOTUOJBMSA-N	-1	3	444.600	6.239	50	10		IKCAHM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)c1	ZINC000043773485	557090953	/nfs/dbraw/zinc/09/09/53/557090953.db2.gz	FLILAMIIHKBRPE-RNHFSVANSA-N	-1	3	434.536	5.761	50	10		IKCAHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2cccc(C)c2)N3)c1	ZINC000000653895	557129809	/nfs/dbraw/zinc/12/98/09/557129809.db2.gz	IIQKVBNNKZPKIC-PLXFJCCSSA-N	-1	3	446.572	5.631	50	10		IKCAHM
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000014458420	557338349	/nfs/dbraw/zinc/33/83/49/557338349.db2.gz	NUNRFKNXAHVCNW-OBTVHEKISA-N	-1	3	444.600	6.239	50	10		IKCAHM
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000014458421	557447044	/nfs/dbraw/zinc/44/70/44/557447044.db2.gz	NUNRFKNXAHVCNW-WCYRKSIYSA-N	-1	3	444.600	6.239	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2)N3)cc1	ZINC000000869706	557840455	/nfs/dbraw/zinc/84/04/55/557840455.db2.gz	ODRSFGKEBWMYOS-SLSDLSHTSA-N	-1	3	432.545	5.323	50	10		IKCAHM
C[C@@H]1CCC[C@@H](C)N1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O	ZINC000002199951	562926227	/nfs/dbraw/zinc/92/62/27/562926227.db2.gz	WNYYRVZLSZMJQM-ZIAGYGMSSA-N	-1	3	435.549	5.120	50	10		IKCAHM
Cc1oc2c(ccc([O-])c2CN2CCCC[C@H]2C)c(=O)c1-c1ccc(Br)cc1	ZINC000009075556	562966964	/nfs/dbraw/zinc/96/69/64/562966964.db2.gz	UTZOOJMZMLLULY-CQSZACIVSA-N	-1	3	442.353	5.611	50	10		IKCAHM
Cc1oc2c(ccc([O-])c2CN2CCCCC2)c(=O)c1-c1ccc(Br)cc1	ZINC000009209452	562968210	/nfs/dbraw/zinc/96/82/10/562968210.db2.gz	MKWUXXVIKFHKLC-UHFFFAOYSA-N	-1	3	428.326	5.222	50	10		IKCAHM
CC(C)c1ccccc1Oc1c(=O)c2ccc([O-])c(CN3CCCC3)c2oc1C(F)(F)F	ZINC000019792859	563022953	/nfs/dbraw/zinc/02/29/53/563022953.db2.gz	HFPMUGZCCXOEPI-UHFFFAOYSA-N	-1	3	447.453	6.029	50	10		IKCAHM
COc1cccc(C(=O)N[C@@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000020755893	563025051	/nfs/dbraw/zinc/02/50/51/563025051.db2.gz	HRRRIURHGMFFFH-QFIPXVFZSA-N	-1	3	448.906	5.130	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053151163	563141073	/nfs/dbraw/zinc/14/10/73/563141073.db2.gz	XKLPSSJPCWPKBB-IFMALSPDSA-N	-1	3	431.750	6.575	50	10		IKCAHM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccncc1	ZINC000000980757	568648735	/nfs/dbraw/zinc/64/87/35/568648735.db2.gz	RBXVTBRREZJBBJ-HMAPJEAMSA-N	-1	3	444.560	5.284	50	10		IKCAHM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(Br)c2ccccc12	ZINC000101350206	568795213	/nfs/dbraw/zinc/79/52/13/568795213.db2.gz	JHPAKZNDQKBEHC-MOSHPQCFSA-N	-1	3	434.337	5.938	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363100	568866348	/nfs/dbraw/zinc/86/63/48/568866348.db2.gz	SVOZOXLFQNSOAE-LADGPHEKSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363141	568866378	/nfs/dbraw/zinc/86/63/78/568866378.db2.gz	GKGXRKGMHJWPCX-DHLKQENFSA-N	-1	3	436.939	5.675	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1	ZINC000053363039	568866390	/nfs/dbraw/zinc/86/63/90/568866390.db2.gz	LUORFBZPFSYLMJ-UNMCSNQZSA-N	-1	3	425.301	5.516	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362951	568866403	/nfs/dbraw/zinc/86/64/03/568866403.db2.gz	UJKSUESWRWBMQY-JTHBVZDNSA-N	-1	3	437.337	5.386	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363103	568866409	/nfs/dbraw/zinc/86/64/09/568866409.db2.gz	SVOZOXLFQNSOAE-UPVQGACJSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccccc3OC)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363138	568866458	/nfs/dbraw/zinc/86/64/58/568866458.db2.gz	GKGXRKGMHJWPCX-WIOPSUGQSA-N	-1	3	436.939	5.675	50	10		IKCAHM
COc1ccc([C@@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363404	568866576	/nfs/dbraw/zinc/86/65/76/568866576.db2.gz	BELSYEXBRQMBIE-JTHBVZDNSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@@H](c3ccccc3[O-])N2)cc1	ZINC000053363406	568866612	/nfs/dbraw/zinc/86/66/12/568866612.db2.gz	BELSYEXBRQMBIE-GMAHTHKFSA-N	-1	3	437.337	5.386	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363179	568866617	/nfs/dbraw/zinc/86/66/17/568866617.db2.gz	HCKVEGAHKPBXTO-ISKFKSNPSA-N	-1	3	425.359	6.484	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363185	568866630	/nfs/dbraw/zinc/86/66/30/568866630.db2.gz	HCKVEGAHKPBXTO-UPVQGACJSA-N	-1	3	425.359	6.484	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363181	568866647	/nfs/dbraw/zinc/86/66/47/568866647.db2.gz	HCKVEGAHKPBXTO-LADGPHEKSA-N	-1	3	425.359	6.484	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(C(=O)OC)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363533	568866691	/nfs/dbraw/zinc/86/66/91/568866691.db2.gz	LMENDBNAIUZLFE-ILBGXUMGSA-N	-1	3	448.950	5.617	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccccc3C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365032	568867073	/nfs/dbraw/zinc/86/70/73/568867073.db2.gz	PKJRZZKFEPOWLG-VWNXMTODSA-N	-1	3	435.365	5.994	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053364996	568867103	/nfs/dbraw/zinc/86/71/03/568867103.db2.gz	ZMWXTZUJNUJDKV-FYYLOGMGSA-N	-1	3	439.328	5.825	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3ccccc3C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365027	568867143	/nfs/dbraw/zinc/86/71/43/568867143.db2.gz	PKJRZZKFEPOWLG-ISKFKSNPSA-N	-1	3	435.365	5.994	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2cccc(Cl)c2)N1	ZINC000053364707	568867151	/nfs/dbraw/zinc/86/71/51/568867151.db2.gz	OYKFIMGHJCAGEJ-AUSIDOKSSA-N	-1	3	441.314	5.650	50	10		IKCAHM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1	ZINC000226908465	568885621	/nfs/dbraw/zinc/88/56/21/568885621.db2.gz	FLILAMIIHKBRPE-FHAGJXEFSA-N	-1	3	434.536	5.761	50	10		IKCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccccc1Br	ZINC000001774439	568906342	/nfs/dbraw/zinc/90/63/42/568906342.db2.gz	OMMKZQDOMZFSRC-HSZRJFAPSA-N	-1	3	432.317	5.827	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@H]2C)c1[O-]	ZINC000002200155	569191631	/nfs/dbraw/zinc/19/16/31/569191631.db2.gz	ZNAPBJMDFYLPRS-OAHLLOKOSA-N	-1	3	434.561	5.712	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@@H]2C)c1[O-]	ZINC000002200158	569191636	/nfs/dbraw/zinc/19/16/36/569191636.db2.gz	ZNAPBJMDFYLPRS-HNNXBMFYSA-N	-1	3	434.561	5.712	50	10		IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCCC[C@@H]4C)c3oc2C(F)(F)F)cc1	ZINC000011868498	569303088	/nfs/dbraw/zinc/30/30/88/569303088.db2.gz	OBIADAXJYVPFDF-AWEZNQCLSA-N	-1	3	447.453	5.567	50	10		IKCAHM
C[C@H]1CCCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)coc32)C1	ZINC000002437344	569303929	/nfs/dbraw/zinc/30/39/29/569303929.db2.gz	WBNYNVXJNQVMBN-AWEZNQCLSA-N	-1	3	444.325	5.285	50	10		IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCC[C@@H](C)C4)c3oc2C(F)(F)F)c1	ZINC000019793075	569329351	/nfs/dbraw/zinc/32/93/51/569329351.db2.gz	ZWRRQCIOXZGFSS-OAHLLOKOSA-N	-1	3	447.453	5.850	50	10		IKCAHM
CCOc1ccccc1Oc1c(=O)c2ccc([O-])c(CN3CCCC3)c2oc1C(F)(F)F	ZINC000019793158	569329369	/nfs/dbraw/zinc/32/93/69/569329369.db2.gz	JJIRJVSUANUCTC-UHFFFAOYSA-N	-1	3	449.425	5.304	50	10	biogenic	IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc21	ZINC000019793005	569329372	/nfs/dbraw/zinc/32/93/72/569329372.db2.gz	TWPNWSURLIGMFG-UHFFFAOYSA-N	-1	3	441.833	5.805	50	10		IKCAHM
Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)c1	ZINC000019793118	569329400	/nfs/dbraw/zinc/32/94/00/569329400.db2.gz	BXDVDUZFEYJDRG-UHFFFAOYSA-N	-1	3	447.453	5.912	50	10		IKCAHM
COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020070698	569333405	/nfs/dbraw/zinc/33/34/05/569333405.db2.gz	GGBCREULTAGHTC-CYFREDJKSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)cc1OC	ZINC000020070788	569333438	/nfs/dbraw/zinc/33/34/38/569333438.db2.gz	JFOCPAHVCOGNAJ-DVECYGJZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1OC	ZINC000020070712	569333443	/nfs/dbraw/zinc/33/34/43/569333443.db2.gz	IGIKCDMWPFJRJZ-YADARESESA-N	-1	3	436.895	5.305	50	10		IKCAHM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c1	ZINC000080324587	569362264	/nfs/dbraw/zinc/36/22/64/569362264.db2.gz	FLILAMIIHKBRPE-OHUGHZGNSA-N	-1	3	434.536	5.761	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccc(C)cc2)N3)cc1	ZINC000002488550	569405175	/nfs/dbraw/zinc/40/51/75/569405175.db2.gz	IBIOMFGDGXSFOT-PPJWLVRDSA-N	-1	3	446.572	5.631	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@@H](C)CCC[C@@H]2C)c1[O-]	ZINC000002666248	569416535	/nfs/dbraw/zinc/41/65/35/569416535.db2.gz	FIQZJFNKDJRREJ-HOTGVXAUSA-N	-1	3	448.588	6.101	50	10		IKCAHM
CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21	ZINC000227486890	569440224	/nfs/dbraw/zinc/44/02/24/569440224.db2.gz	LPDDLBIBEDCDEM-PGRDOPGGSA-N	-1	3	426.925	5.748	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccsc2)N1	ZINC000058083465	569446852	/nfs/dbraw/zinc/44/68/52/569446852.db2.gz	BQIOANBRHPLXOB-AZUAARDMSA-N	-1	3	447.785	6.092	50	10		IKCAHM
COc1ccc(C(=O)c2coc3ccc([O-])c(CN(C)Cc4ccccc4)c23)cc1OC	ZINC000218035400	569456091	/nfs/dbraw/zinc/45/60/91/569456091.db2.gz	WFFBAQJTUZWJPU-UHFFFAOYSA-N	-1	3	431.488	5.019	50	10	biogenic	IKCAHM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Br)c2ccccc12	ZINC000008430335	569464231	/nfs/dbraw/zinc/46/42/31/569464231.db2.gz	VXURGPPVMYFNOO-CPNJWEJPSA-N	-1	3	434.337	5.938	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(F)cc2)N3)cc1C	ZINC000008589991	569469216	/nfs/dbraw/zinc/46/92/16/569469216.db2.gz	SHAOQNRSKRYIJH-PLXFJCCSSA-N	-1	3	448.563	6.070	50	10		IKCAHM
[O-]c1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@](O)(C(F)(F)F)C1	ZINC000008711388	569471000	/nfs/dbraw/zinc/47/10/00/569471000.db2.gz	MHQQUTDABPLFII-GOSISDBHSA-N	-1	3	439.846	5.034	50	10		IKCAHM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(OC)c2[O-])N3)C1	ZINC000008919852	569486440	/nfs/dbraw/zinc/48/64/40/569486440.db2.gz	DNRNWSQLRCAIST-WYRIXSBYSA-N	-1	3	434.989	6.086	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC(C)(C)C2)c1[O-]	ZINC000009073647	569500156	/nfs/dbraw/zinc/50/01/56/569500156.db2.gz	GSAOMYVJVXLGGW-UHFFFAOYSA-N	-1	3	431.536	5.226	50	10		IKCAHM
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000009159463	569508608	/nfs/dbraw/zinc/50/86/08/569508608.db2.gz	JTCVDNFSZVKVGA-PMEYMNTDSA-N	-1	3	448.522	5.945	50	10		IKCAHM
COc1ccc(OC)c(-c2c(C)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2=O)c1	ZINC000009356680	569525522	/nfs/dbraw/zinc/52/55/22/569525522.db2.gz	IDRGADRMBKXQMV-UHFFFAOYSA-N	-1	3	445.515	5.123	50	10	biogenic	IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000009541620	569545897	/nfs/dbraw/zinc/54/58/97/569545897.db2.gz	YJQWNAWIZLAILH-LADGPHEKSA-N	-1	3	435.365	5.940	50	10		IKCAHM
CCc1ccc(C2=N[C@@](C)(CC(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000009542101	569545922	/nfs/dbraw/zinc/54/59/22/569545922.db2.gz	ZSAPBFNUIQHESP-JTHBVZDNSA-N	-1	3	429.402	6.003	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364743	193928399	/nfs/dbraw/zinc/92/83/99/193928399.db2.gz	HNLRLWZOJZIQBX-VWNXMTODSA-N	-1	3	425.359	6.484	50	10		IKCAHM
Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2[O-])N2CCN(c3ccccn3)CC2)cc1	ZINC000006154212	132276333	/nfs/dbraw/zinc/27/63/33/132276333.db2.gz	DNDQEZSOXMZIBM-RUZDIDTESA-N	-1	3	444.966	5.209	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763270	520932169	/nfs/dbraw/zinc/93/21/69/520932169.db2.gz	QJCVTACPCDMFHR-LADGPHEKSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763275	520932677	/nfs/dbraw/zinc/93/26/77/520932677.db2.gz	QJCVTACPCDMFHR-UPVQGACJSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCOC(=O)c1c(C)oc2c1c([C@H](c1ccccc1)N1CCOCC1)c([O-])c1ccccc21	ZINC000021539882	521402364	/nfs/dbraw/zinc/40/23/64/521402364.db2.gz	CYCUGYXZROHKEM-DEOSSOPVSA-N	-1	3	445.515	5.198	50	10		IKCAHM
CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1	ZINC000012569637	523263638	/nfs/dbraw/zinc/26/36/38/523263638.db2.gz	BRRUWXVIAKVPLJ-UHFFFAOYSA-N	-1	3	444.604	5.274	50	10		IKCAHM
COc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000020755917	523725060	/nfs/dbraw/zinc/72/50/60/523725060.db2.gz	PUSIUWDEWAXQNL-QFIPXVFZSA-N	-1	3	448.906	5.130	50	10	biogenic	IKCAHM
COc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763086	523881085	/nfs/dbraw/zinc/88/10/85/523881085.db2.gz	HUTPKVVZGOFERR-GMAHTHKFSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3c(F)cccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765243	523881277	/nfs/dbraw/zinc/88/12/77/523881277.db2.gz	NKROSSWXTGVBLW-NZQKXSOJSA-N	-1	3	445.321	6.069	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765025	523903524	/nfs/dbraw/zinc/90/35/24/523903524.db2.gz	HNLRLWZOJZIQBX-UPVQGACJSA-N	-1	3	425.359	6.484	50	10		IKCAHM
COc1ccccc1[C@@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000020763753	524760948	/nfs/dbraw/zinc/76/09/48/524760948.db2.gz	UMSSTSXPSLGLKF-NFBKMPQASA-N	-1	3	437.337	5.386	50	10		IKCAHM
[O-]c1c(O)cc(C(c2c[nH]c3ccccc32)c2c[nH]c3ccccc32)cc1Br	ZINC000015016583	526333285	/nfs/dbraw/zinc/33/32/85/526333285.db2.gz	IWOGNFWRYJDTCR-UHFFFAOYSA-N	-1	3	433.305	6.003	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccccc2Cl)N1	ZINC000020763547	526346479	/nfs/dbraw/zinc/34/64/79/526346479.db2.gz	JASVRWHNSBCFKZ-XXBNENTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1cc(Br)cs1	ZINC000036059963	526369670	/nfs/dbraw/zinc/36/96/70/526369670.db2.gz	DGJYLXISDVTZMJ-JXFKEZNVSA-N	-1	3	427.323	5.459	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@H]2c1cc(Br)cs1	ZINC000036059965	526370246	/nfs/dbraw/zinc/37/02/46/526370246.db2.gz	DGJYLXISDVTZMJ-UZLBHIALSA-N	-1	3	427.323	5.459	50	10		IKCAHM
O=C(NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2ccccc2o1	ZINC000000678910	555536584	/nfs/dbraw/zinc/53/65/84/555536584.db2.gz	CODUHCLDBJENOG-UHFFFAOYSA-N	-1	3	434.904	5.444	50	10		IKCAHM
O=S(=O)([N-]c1ccc(O)c(Sc2nc3ccccc3s2)c1)c1ccc(F)cc1	ZINC000000781558	555555199	/nfs/dbraw/zinc/55/51/99/555555199.db2.gz	LSZXXNGUMSFATP-UHFFFAOYSA-N	-1	3	432.523	5.093	50	10		IKCAHM
CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1	ZINC000002954881	555866599	/nfs/dbraw/zinc/86/65/99/555866599.db2.gz	PTPMKHFVUAOEDH-UHFFFAOYSA-N	-1	3	435.501	5.118	50	10		IKCAHM
CC[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21	ZINC000004289895	555983062	/nfs/dbraw/zinc/98/30/62/555983062.db2.gz	ABSLZLFSUQLLFG-MRXNPFEDSA-N	-1	3	431.454	5.949	50	10	biogenic	IKCAHM
CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1OCC	ZINC000006388917	556086296	/nfs/dbraw/zinc/08/62/96/556086296.db2.gz	RGSVHTDNNWJMKH-XMMPIXPASA-N	-1	3	429.520	5.643	50	10		IKCAHM
CCOc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])ccc1OC	ZINC000006387288	556086334	/nfs/dbraw/zinc/08/63/34/556086334.db2.gz	DFGDEHMIIPYKSL-DEOSSOPVSA-N	-1	3	429.520	5.561	50	10		IKCAHM
O=C(COc1ccccc1)N[C@@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000006457215	556089322	/nfs/dbraw/zinc/08/93/22/556089322.db2.gz	HPNHVAVMMGWFEQ-ZVQQDINOSA-N	-1	3	444.918	5.544	50	10		IKCAHM
O=[N+]([O-])c1cccc([C@H](Nc2nc3c(s2)CCCC3)c2ccc3cccnc3c2[O-])c1	ZINC000002708556	556124510	/nfs/dbraw/zinc/12/45/10/556124510.db2.gz	WWTYYBWCJMFCHT-FQEVSTJZSA-N	-1	3	432.505	5.385	50	10		IKCAHM
CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1OCC	ZINC000008453120	556183804	/nfs/dbraw/zinc/18/38/04/556183804.db2.gz	NUENVLGLYLEKBR-RUZDIDTESA-N	-1	3	443.547	5.951	50	10		IKCAHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1	ZINC000008454096	556184697	/nfs/dbraw/zinc/18/46/97/556184697.db2.gz	IIQKVBNNKZPKIC-PPJWLVRDSA-N	-1	3	446.572	5.631	50	10		IKCAHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2cccc(C)c2)N3)c1	ZINC000014165970	556379414	/nfs/dbraw/zinc/37/94/14/556379414.db2.gz	IIQKVBNNKZPKIC-UMFSSWHCSA-N	-1	3	446.572	5.631	50	10		IKCAHM
COc1cccc(C(=O)N[C@H](c2ccc(OC)c(OC)c2)c2c([O-])ccc3ccccc32)c1	ZINC000015821605	556572726	/nfs/dbraw/zinc/57/27/26/556572726.db2.gz	CXKKZFHOGHDFKI-AREMUKBSSA-N	-1	3	443.499	5.091	50	10		IKCAHM
COc1cccc(C(=O)N[C@@H](c2ccc(OC)c(OC)c2)c2c([O-])ccc3ccccc32)c1	ZINC000015821601	556572830	/nfs/dbraw/zinc/57/28/30/556572830.db2.gz	CXKKZFHOGHDFKI-SANMLTNESA-N	-1	3	443.499	5.091	50	10		IKCAHM
COc1ccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000015821577	556575150	/nfs/dbraw/zinc/57/51/50/556575150.db2.gz	MDWNHEVMSYQJKP-JOCHJYFZSA-N	-1	3	432.907	5.430	50	10	biogenic	IKCAHM
O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(F)cc1)N2	ZINC000016426212	556606529	/nfs/dbraw/zinc/60/65/29/556606529.db2.gz	HEQWCUKWRYJVJE-IECBHUPTSA-N	-1	3	438.499	5.592	50	10		IKCAHM
COc1ccc([C@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1[N+](=O)[O-]	ZINC000018154485	556685308	/nfs/dbraw/zinc/68/53/08/556685308.db2.gz	NCUKGVAQQZZNPE-FQEVSTJZSA-N	-1	3	436.855	5.107	50	10		IKCAHM
Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)c1	ZINC000019791754	556915167	/nfs/dbraw/zinc/91/51/67/556915167.db2.gz	PHUURGFDVKVSKZ-UHFFFAOYSA-N	-1	3	447.453	5.912	50	10	biogenic	IKCAHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2cccc(C)c2)N3)c1	ZINC000111441219	557045287	/nfs/dbraw/zinc/04/52/87/557045287.db2.gz	IIQKVBNNKZPKIC-JQYIIUTOSA-N	-1	3	446.572	5.631	50	10		IKCAHM
Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000101060430	557218947	/nfs/dbraw/zinc/21/89/47/557218947.db2.gz	FUPPOJVVPYHIHF-JOCHJYFZSA-N	-1	3	441.369	6.643	50	10		IKCAHM
COc1ccc(-c2[n-]n(-c3ccc([N+](=O)[O-])cc3)c(=O)c2C=Nc2ccc(Cl)cc2)cc1	ZINC000100424599	557260491	/nfs/dbraw/zinc/26/04/91/557260491.db2.gz	IDMDGOKZBTWRNC-KGENOOAVSA-N	-1	3	448.866	5.004	50	10		IKCAHM
COC(=O)c1sc2[n-]c(C(Cl)=Cc3ccc(N4CCCCC4)cc3)nc(=O)c2c1C	ZINC000023779096	557375560	/nfs/dbraw/zinc/37/55/60/557375560.db2.gz	AHTKBIHLDPQUGT-VBKFSLOCSA-N	-1	3	443.956	5.219	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1cccs1	ZINC000103562682	557438916	/nfs/dbraw/zinc/43/89/16/557438916.db2.gz	RWCIOJVTDOHHSH-JXFKEZNVSA-N	-1	3	427.323	5.459	50	10		IKCAHM
COc1ccc([C@@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000006405683	562946689	/nfs/dbraw/zinc/94/66/89/562946689.db2.gz	MZGLFQDAHATKPL-JOCHJYFZSA-N	-1	3	448.906	5.130	50	10		IKCAHM
C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21	ZINC000009075649	562966969	/nfs/dbraw/zinc/96/69/69/562966969.db2.gz	IGVTUOUWEWKZBH-CQSZACIVSA-N	-1	3	428.326	5.303	50	10		IKCAHM
CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)cc1	ZINC000019793030	563023017	/nfs/dbraw/zinc/02/30/17/563023017.db2.gz	PXAKFKCEIAOBHO-UHFFFAOYSA-N	-1	3	447.453	5.858	50	10		IKCAHM
[O-]c1c([C@@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12	ZINC000019879785	563023278	/nfs/dbraw/zinc/02/32/78/563023278.db2.gz	OOEAPXRETVROJS-SANMLTNESA-N	-1	3	443.978	6.033	50	10		IKCAHM
CCCCOCc1cc(CN2CCN(c3cccc(Cl)c3)CC2)c([O-])c2ncccc12	ZINC000058085643	563143387	/nfs/dbraw/zinc/14/33/87/563143387.db2.gz	JTEIZLNHKDCCQG-UHFFFAOYSA-N	-1	3	439.987	5.233	50	10		IKCAHM
CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1	ZINC000000944547	568643089	/nfs/dbraw/zinc/64/30/89/568643089.db2.gz	HJLUHGHXBHRWLU-UHFFFAOYSA-N	-1	3	433.529	5.842	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC[C@H](C)C2)c1[O-]	ZINC000001251358	568775104	/nfs/dbraw/zinc/77/51/04/568775104.db2.gz	GPGRJNRGDXNHRD-HNNXBMFYSA-N	-1	3	434.561	5.570	50	10		IKCAHM
[O-]c1ccccc1C1=NN(c2nc(-c3cccc(Cl)c3)cs2)[C@@H](c2ccccc2)C1	ZINC000085404550	568817654	/nfs/dbraw/zinc/81/76/54/568817654.db2.gz	LICXIRHFAUCPNO-JOCHJYFZSA-N	-1	3	431.948	6.525	50	10		IKCAHM
CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1OC	ZINC000035111467	568820601	/nfs/dbraw/zinc/82/06/01/568820601.db2.gz	IDCXHNCSAXMZOH-DEOSSOPVSA-N	-1	3	429.520	5.561	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccccc3OC)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363139	568866304	/nfs/dbraw/zinc/86/63/04/568866304.db2.gz	GKGXRKGMHJWPCX-RDGATRHJSA-N	-1	3	436.939	5.675	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccc(F)cc2)N1	ZINC000053363037	568866413	/nfs/dbraw/zinc/86/64/13/568866413.db2.gz	LUORFBZPFSYLMJ-IRLDBZIGSA-N	-1	3	425.301	5.516	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053362941	568866441	/nfs/dbraw/zinc/86/64/41/568866441.db2.gz	IPRWOGKLDASVPD-FYYLOGMGSA-N	-1	3	427.331	5.930	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053363408	568866574	/nfs/dbraw/zinc/86/65/74/568866574.db2.gz	FUBNFRSZFRLGMW-IFMALSPDSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000053363337	568866597	/nfs/dbraw/zinc/86/65/97/568866597.db2.gz	NFHPFWJZHOBQBV-GGAORHGYSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000053363284	568866639	/nfs/dbraw/zinc/86/66/39/568866639.db2.gz	BCQGOQYNAFJDPU-CYFREDJKSA-N	-1	3	436.895	5.005	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363413	568866643	/nfs/dbraw/zinc/86/66/43/568866643.db2.gz	FUBNFRSZFRLGMW-IRLDBZIGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccc(Br)c2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053363410	568866668	/nfs/dbraw/zinc/86/66/68/568866668.db2.gz	FUBNFRSZFRLGMW-RBBKRZOGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)c1	ZINC000053363346	568866671	/nfs/dbraw/zinc/86/66/71/568866671.db2.gz	KSGPNRNCZNNXLW-GMAHTHKFSA-N	-1	3	437.337	5.386	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365002	568867041	/nfs/dbraw/zinc/86/70/41/568867041.db2.gz	ZMWXTZUJNUJDKV-GMAHTHKFSA-N	-1	3	439.328	5.825	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364864	568867122	/nfs/dbraw/zinc/86/71/22/568867122.db2.gz	OACJIYZHCYNRCN-GGAORHGYSA-N	-1	3	427.331	5.930	50	10		IKCAHM
O=C(CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S)Nc1ccccc1[O-]	ZINC000001800065	568908485	/nfs/dbraw/zinc/90/84/85/568908485.db2.gz	OGWSKQWRQYNKCW-XDJHFCHBSA-N	-1	3	426.563	5.428	50	10		IKCAHM
C[C@@H]1CCCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)coc32)C1	ZINC000002437346	569303962	/nfs/dbraw/zinc/30/39/62/569303962.db2.gz	WBNYNVXJNQVMBN-CQSZACIVSA-N	-1	3	444.325	5.285	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1cc(Br)cs1	ZINC000020070682	569333358	/nfs/dbraw/zinc/33/33/58/569333358.db2.gz	DGJYLXISDVTZMJ-OXJNMPFZSA-N	-1	3	427.323	5.459	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1cccs1	ZINC000020070772	569333436	/nfs/dbraw/zinc/33/34/36/569333436.db2.gz	RWCIOJVTDOHHSH-OXJNMPFZSA-N	-1	3	427.323	5.459	50	10		IKCAHM
CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020071042	569333596	/nfs/dbraw/zinc/33/35/96/569333596.db2.gz	WYLSVGATGUUWJC-RXFWQSSRSA-N	-1	3	446.503	5.050	50	10		IKCAHM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2[O-])N3)C1	ZINC000008919862	569486512	/nfs/dbraw/zinc/48/65/12/569486512.db2.gz	DNRNWSQLRCAIST-NSPYISDASA-N	-1	3	434.989	6.086	50	10		IKCAHM
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccccc2)cc1OC	ZINC000009159466	569508592	/nfs/dbraw/zinc/50/85/92/569508592.db2.gz	LSRQIEBDTSTSST-FQEVSTJZSA-N	-1	3	436.895	5.054	50	10		IKCAHM
COc1ccc(-c2cc3ccc([O-])c(CN4CCCC[C@H]4c4cccnc4)c3oc2=O)cc1	ZINC000020763638	523120578	/nfs/dbraw/zinc/12/05/78/523120578.db2.gz	IJXJLSYYFJGVIV-DEOSSOPVSA-N	-1	3	442.515	5.296	50	10	biogenic	IKCAHM
Cc1ccc(C2=N[C@@H](c3ccc(F)cc3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000020762933	524235303	/nfs/dbraw/zinc/23/53/03/524235303.db2.gz	IQSSOLMBPHDADS-FYYLOGMGSA-N	-1	3	439.328	5.825	50	10		IKCAHM
COc1ccccc1[C@H]1N=C(c2cccc(Br)c2)C[C@H](c2ccccc2[O-])N1	ZINC000020763748	524817180	/nfs/dbraw/zinc/81/71/80/524817180.db2.gz	UMSSTSXPSLGLKF-OFNKIYASSA-N	-1	3	437.337	5.386	50	10		IKCAHM
[O-]c1cc2c(cc1CN1CCN(C(c3ccccc3)c3ccccc3)CC1)oc1ccccc12	ZINC000022030374	526335082	/nfs/dbraw/zinc/33/50/82/526335082.db2.gz	VLYDRZCQWUQXCB-UHFFFAOYSA-N	-1	3	448.566	6.199	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(Cl)c2)N1	ZINC000020764973	526346213	/nfs/dbraw/zinc/34/62/13/526346213.db2.gz	OYKFIMGHJCAGEJ-CVDCTZTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@H](c1cccc([N+](=O)[O-])c1)c1c([O-])ccc2ccccc21	ZINC000000801035	555559307	/nfs/dbraw/zinc/55/93/07/555559307.db2.gz	MLYRZBIFYSWKHF-AREMUKBSSA-N	-1	3	426.472	5.292	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1c([O-])ccc2ccccc21	ZINC000000801038	555559338	/nfs/dbraw/zinc/55/93/38/555559338.db2.gz	WBKUPKIFXMUTBN-SANMLTNESA-N	-1	3	426.472	5.292	50	10		IKCAHM
COc1cc(C(=O)N[C@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc(OC)c1OC	ZINC000000846837	555569698	/nfs/dbraw/zinc/56/96/98/555569698.db2.gz	DQCPQSBZPWAWPX-RUZDIDTESA-N	-1	3	443.499	5.091	50	10	biogenic,in-vitro	IKCAHM
O=C([N-]N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1Cl	ZINC000001011290	555601993	/nfs/dbraw/zinc/60/19/93/555601993.db2.gz	XMCIPBYUOZCZPS-AUWJEWJLSA-N	-1	3	443.764	5.193	50	10		IKCAHM
O=S(=O)([N-]c1ccccc1F)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(F)cc1)N2	ZINC000001421031	555695332	/nfs/dbraw/zinc/69/53/32/555695332.db2.gz	HEQWCUKWRYJVJE-KHCICDEESA-N	-1	3	438.499	5.592	50	10		IKCAHM
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1cc(Cl)ccc1[O-])c1ccc(C)cc1	ZINC000008435358	556173356	/nfs/dbraw/zinc/17/33/56/556173356.db2.gz	GTCRVSFIFHERSR-QULUYXLPSA-N	-1	3	428.919	6.244	50	10		IKCAHM
Cc1ccnc(N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000008453095	556183736	/nfs/dbraw/zinc/18/37/36/556183736.db2.gz	QLBQGAWRCKNQDY-NRFANRHFSA-N	-1	3	434.883	5.715	50	10		IKCAHM
COc1ccc(-c2cc(=O)oc3c(C)c([O-])c(CNCc4ccccc4Cl)cc23)cc1	ZINC000008743385	556208140	/nfs/dbraw/zinc/20/81/40/556208140.db2.gz	YAGFEBFXPMPOGE-UHFFFAOYSA-N	-1	3	435.907	5.426	50	10		IKCAHM
Cc1nc2cc(NC(=O)[C@@H]3CC34CCN(Cc3cc(Cl)ccc3[O-])CC4)ccc2s1	ZINC000011996200	556384183	/nfs/dbraw/zinc/38/41/83/556384183.db2.gz	FVSQBZJNHCRBLM-SFHVURJKSA-N	-1	3	441.984	5.205	50	10		IKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(Oc4ccccc4)c3)c([O-])c2n1	ZINC000015015686	556484766	/nfs/dbraw/zinc/48/47/66/556484766.db2.gz	ICTCRAUTUKBQIN-SANMLTNESA-N	-1	3	433.511	6.638	50	10		IKCAHM
CCOc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1OCC	ZINC000015015721	556484821	/nfs/dbraw/zinc/48/48/21/556484821.db2.gz	GIWMLLDBFDPOEQ-XMMPIXPASA-N	-1	3	429.520	5.643	50	10		IKCAHM
Cc1cccc(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000015015895	556485170	/nfs/dbraw/zinc/48/51/70/556485170.db2.gz	XPYSRKPOTZOHOF-AREMUKBSSA-N	-1	3	439.559	6.475	50	10		IKCAHM
Cc1ccnc(N[C@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016655	556485860	/nfs/dbraw/zinc/48/58/60/556485860.db2.gz	PZEUMJUWHZCRJQ-OAQYLSRUSA-N	-1	3	434.337	5.916	50	10		IKCAHM
CCOc1cc(/C=C2/C(=O)N(c3cccc(Br)c3)N=C2C)cc(Cl)c1[O-]	ZINC000015930714	556565057	/nfs/dbraw/zinc/56/50/57/556565057.db2.gz	UDGKUBWCQROJAB-VIZOYTHASA-N	-1	3	435.705	5.013	50	10		IKCAHM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000015945720	556566839	/nfs/dbraw/zinc/56/68/39/556566839.db2.gz	XTKDSGVCZBCGGC-ADLMAVQZSA-N	-1	3	449.414	6.186	50	10		IKCAHM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000015945722	556567047	/nfs/dbraw/zinc/56/70/47/556567047.db2.gz	XTKDSGVCZBCGGC-BBATYDOGSA-N	-1	3	449.414	6.186	50	10		IKCAHM
COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)c([O-])c1	ZINC000016672155	556621939	/nfs/dbraw/zinc/62/19/39/556621939.db2.gz	VMQTWCRNUUAREG-RUZDIDTESA-N	-1	3	439.939	5.219	50	10		IKCAHM
COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc(OC)c1OC	ZINC000018190090	556686082	/nfs/dbraw/zinc/68/60/82/556686082.db2.gz	PHJSFZUPVICELW-QHCPKHFHSA-N	-1	3	445.519	5.180	50	10		IKCAHM
COc1cc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc(Cl)c1OC	ZINC000018204295	556686639	/nfs/dbraw/zinc/68/66/39/556686639.db2.gz	BITXZZNWWHVZPE-QFIPXVFZSA-N	-1	3	449.938	5.824	50	10		IKCAHM
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1cc(Cl)ccc1[O-])c1ccc(C)cc1	ZINC000033248721	556889665	/nfs/dbraw/zinc/88/96/65/556889665.db2.gz	GTCRVSFIFHERSR-DDTDMLJBSA-N	-1	3	428.919	6.244	50	10		IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCC(C)CC4)c3oc2C(F)(F)F)c1	ZINC000019791778	556915182	/nfs/dbraw/zinc/91/51/82/556915182.db2.gz	HCHHQTIBQNVNLH-UHFFFAOYSA-N	-1	3	447.453	5.850	50	10	biogenic	IKCAHM
Cc1cc(C)cc(Oc2c(=O)c3ccc([O-])c(CN4CCCC4)c3oc2C(F)(F)F)c1	ZINC000019791753	556915199	/nfs/dbraw/zinc/91/51/99/556915199.db2.gz	PJSVVGVLPLVIJS-UHFFFAOYSA-N	-1	3	433.426	5.522	50	10	biogenic	IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC[C@@H]4C)c3oc2C(F)(F)F)c1	ZINC000019791548	556915235	/nfs/dbraw/zinc/91/52/35/556915235.db2.gz	FGHLSHCVMZJNMM-HNNXBMFYSA-N	-1	3	447.453	5.993	50	10	biogenic	IKCAHM
CCc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC4)c3oc2C(F)(F)F)cc1	ZINC000019793042	556915527	/nfs/dbraw/zinc/91/55/27/556915527.db2.gz	AXTZOWXYLTZLJT-UHFFFAOYSA-N	-1	3	433.426	5.468	50	10		IKCAHM
COc1c(C)cccc1C(=O)NC(=S)[N-]c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000002882210	557135088	/nfs/dbraw/zinc/13/50/88/557135088.db2.gz	QFLNDZVGMNITNO-UHFFFAOYSA-N	-1	3	438.936	5.015	50	10		IKCAHM
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1cc(Cl)ccc1[O-])c1ccc(C)cc1	ZINC000103696143	557440879	/nfs/dbraw/zinc/44/08/79/557440879.db2.gz	GTCRVSFIFHERSR-WWFUZCLXSA-N	-1	3	428.919	6.244	50	10		IKCAHM
[O-]c1c([C@H](c2ccccn2)N2CCC(Cc3ccccc3)CC2)cc(Cl)c2cccnc12	ZINC000019879783	563023247	/nfs/dbraw/zinc/02/32/47/563023247.db2.gz	OOEAPXRETVROJS-AREMUKBSSA-N	-1	3	443.978	6.033	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053151160	563141009	/nfs/dbraw/zinc/14/10/09/563141009.db2.gz	XKLPSSJPCWPKBB-UNMCSNQZSA-N	-1	3	431.750	6.575	50	10		IKCAHM
COc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)c1	ZINC000001448132	568817448	/nfs/dbraw/zinc/81/74/48/568817448.db2.gz	XGLSTSYDWGLSMR-UHFFFAOYSA-N	-1	3	449.425	5.304	50	10	biogenic	IKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053362943	568866342	/nfs/dbraw/zinc/86/63/42/568866342.db2.gz	IPRWOGKLDASVPD-JTHBVZDNSA-N	-1	3	427.331	5.930	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(F)cc2)N1	ZINC000053363034	568866356	/nfs/dbraw/zinc/86/63/56/568866356.db2.gz	LUORFBZPFSYLMJ-RBBKRZOGSA-N	-1	3	425.301	5.516	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053363265	568866582	/nfs/dbraw/zinc/86/65/82/568866582.db2.gz	KDBKOIIDRVUBRI-WMZHIEFXSA-N	-1	3	441.314	5.650	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1	ZINC000053363471	568866586	/nfs/dbraw/zinc/86/65/86/568866586.db2.gz	UBRBQWJWTXYKPE-IRLDBZIGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363266	568866588	/nfs/dbraw/zinc/86/65/88/568866588.db2.gz	KDBKOIIDRVUBRI-CVDCTZTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000053363335	568866593	/nfs/dbraw/zinc/86/65/93/568866593.db2.gz	NFHPFWJZHOBQBV-JTHBVZDNSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000053363282	568866650	/nfs/dbraw/zinc/86/66/50/568866650.db2.gz	BCQGOQYNAFJDPU-YADARESESA-N	-1	3	436.895	5.005	50	10		IKCAHM
COc1ccccc1[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000053363281	568866694	/nfs/dbraw/zinc/86/66/94/568866694.db2.gz	BCQGOQYNAFJDPU-DVECYGJZSA-N	-1	3	436.895	5.005	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2cccc(Br)c2)N1	ZINC000053363574	568866816	/nfs/dbraw/zinc/86/68/16/568866816.db2.gz	AVSFUACDDLSCDE-IFMALSPDSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2cccc(Cl)c2)=N[C@@H](c2ccc(Br)cc2)N1	ZINC000053364680	568866859	/nfs/dbraw/zinc/86/68/59/568866859.db2.gz	QSHJXGBTSBRZKH-IFMALSPDSA-N	-1	3	441.756	6.031	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3cccc(F)c3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365000	568866977	/nfs/dbraw/zinc/86/69/77/568866977.db2.gz	ZMWXTZUJNUJDKV-GGAORHGYSA-N	-1	3	439.328	5.825	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCCCC2)c1[O-]	ZINC000001768869	568905729	/nfs/dbraw/zinc/90/57/29/568905729.db2.gz	GCOVSFFYWXUGEY-UHFFFAOYSA-N	-1	3	434.561	5.714	50	10		IKCAHM
O=c1c(Oc2ccccc2Br)coc2c1ccc([O-])c2CN1CCCCC1	ZINC000002329055	569274425	/nfs/dbraw/zinc/27/44/25/569274425.db2.gz	AOJDAGXTMQZHBE-UHFFFAOYSA-N	-1	3	430.298	5.039	50	10		IKCAHM
C[C@@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)coc21	ZINC000002411951	569301028	/nfs/dbraw/zinc/30/10/28/569301028.db2.gz	AUOVCKQFQWRSAA-CQSZACIVSA-N	-1	3	444.325	5.428	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCC[C@@H]2C)c1[O-]	ZINC000011869533	569303126	/nfs/dbraw/zinc/30/31/26/569303126.db2.gz	BTPBRWYLFXBRFQ-INIZCTEOSA-N	-1	3	445.563	5.298	50	10		IKCAHM
COc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)cc1	ZINC000019789762	569329281	/nfs/dbraw/zinc/32/92/81/569329281.db2.gz	UIIICUBQSNGPEX-UHFFFAOYSA-N	-1	3	449.425	5.304	50	10	biogenic	IKCAHM
CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020071039	569333553	/nfs/dbraw/zinc/33/35/53/569333553.db2.gz	WYLSVGATGUUWJC-FNZWTVRRSA-N	-1	3	446.503	5.050	50	10		IKCAHM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1ccc(C)c(Cl)c1	ZINC000095471558	569371987	/nfs/dbraw/zinc/37/19/87/569371987.db2.gz	FYQMWKULSYPILJ-JYRVWZFOSA-N	-1	3	429.134	6.327	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2[C@H](C)CCC[C@H]2C)c1[O-]	ZINC000002666249	569416490	/nfs/dbraw/zinc/41/64/90/569416490.db2.gz	FIQZJFNKDJRREJ-HZPDHXFCSA-N	-1	3	448.588	6.101	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCCCC2)c1[O-]	ZINC000002667146	569416581	/nfs/dbraw/zinc/41/65/81/569416581.db2.gz	FFWXSQCCIFMLOU-UHFFFAOYSA-N	-1	3	445.563	5.299	50	10	biogenic	IKCAHM
CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@@H]21	ZINC000227486884	569440238	/nfs/dbraw/zinc/44/02/38/569440238.db2.gz	LPDDLBIBEDCDEM-AVRDEDQJSA-N	-1	3	426.925	5.748	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccsc2)N1	ZINC000058083471	569446877	/nfs/dbraw/zinc/44/68/77/569446877.db2.gz	BQIOANBRHPLXOB-QUCCMNQESA-N	-1	3	447.785	6.092	50	10		IKCAHM
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000032180855	569460613	/nfs/dbraw/zinc/46/06/13/569460613.db2.gz	KLLKBTDTOANIRJ-RQTOMXEWSA-N	-1	3	432.545	5.323	50	10		IKCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1	ZINC000008734932	569472619	/nfs/dbraw/zinc/47/26/19/569472619.db2.gz	XBGPSIQAWCQIJE-RUZDIDTESA-N	-1	3	436.515	5.251	50	10		IKCAHM
Cc1ccc(S(=O)(=O)[N-]c2cc(Sc3nc4ccccc4s3)c(O)cc2C)cc1	ZINC000008871864	569480892	/nfs/dbraw/zinc/48/08/92/569480892.db2.gz	RHCOUUJOXIOXNC-UHFFFAOYSA-N	-1	3	442.587	5.571	50	10		IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1	ZINC000008914924	569485483	/nfs/dbraw/zinc/48/54/83/569485483.db2.gz	ROYAWXPOURYKLU-CQSZACIVSA-N	-1	3	447.453	5.425	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000009542851	569545902	/nfs/dbraw/zinc/54/59/02/569545902.db2.gz	PGMFATWYWNNVNE-GMAHTHKFSA-N	-1	3	439.328	5.825	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccc(F)c(Br)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000009542853	569545934	/nfs/dbraw/zinc/54/59/34/569545934.db2.gz	PGMFATWYWNNVNE-GGAORHGYSA-N	-1	3	439.328	5.825	50	10		IKCAHM
[O-]c1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)oc1ccccc12	ZINC000013098209	132344572	/nfs/dbraw/zinc/34/45/72/132344572.db2.gz	KUDCFAFNQIGIAB-UHFFFAOYSA-N	-1	3	426.438	5.633	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccc(F)cc3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000020762938	524235191	/nfs/dbraw/zinc/23/51/91/524235191.db2.gz	IQSSOLMBPHDADS-GGAORHGYSA-N	-1	3	439.328	5.825	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@H](c1ccc2c(c1)OCO2)c1c([O-])ccc2ccccc21	ZINC000000801044	555559355	/nfs/dbraw/zinc/55/93/55/555559355.db2.gz	BWXIBDZNZFVSNI-HHHXNRCGSA-N	-1	3	425.484	5.113	50	10		IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21	ZINC000001747679	555712128	/nfs/dbraw/zinc/71/21/28/555712128.db2.gz	ZAJDKBKGHHABHW-UHFFFAOYSA-N	-1	3	425.834	5.680	50	10		IKCAHM
O=[N+]([O-])c1ccc([C@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2[O-])cc1	ZINC000001799288	555716604	/nfs/dbraw/zinc/71/66/04/555716604.db2.gz	MEUOJOIESTUYCE-FQEVSTJZSA-N	-1	3	439.393	6.069	50	10		IKCAHM
CCOc1cccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1OC	ZINC000002470503	555783158	/nfs/dbraw/zinc/78/31/58/555783158.db2.gz	CBMCUGPDDZTZAO-XMMPIXPASA-N	-1	3	429.520	5.561	50	10		IKCAHM
CCCC(=O)N[C@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002815449	555828468	/nfs/dbraw/zinc/82/84/68/555828468.db2.gz	WHQCGANOTXJOPB-JOCHJYFZSA-N	-1	3	425.960	5.446	50	10		IKCAHM
CCOc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc(Cl)c1[O-]	ZINC000002817126	555828837	/nfs/dbraw/zinc/82/88/37/555828837.db2.gz	BXRRMVXULSIAJA-AQTBWJFISA-N	-1	3	433.982	5.278	50	10		IKCAHM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1	ZINC000002954565	555866700	/nfs/dbraw/zinc/86/67/00/555866700.db2.gz	SGKOJFCMFILPCL-UHFFFAOYSA-N	-1	3	447.556	6.016	50	10		IKCAHM
CC[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc21	ZINC000004289897	555983094	/nfs/dbraw/zinc/98/30/94/555983094.db2.gz	ABSLZLFSUQLLFG-INIZCTEOSA-N	-1	3	431.454	5.949	50	10	biogenic	IKCAHM
CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2[O-])cc1OCC	ZINC000006388882	556086202	/nfs/dbraw/zinc/08/62/02/556086202.db2.gz	RGSVHTDNNWJMKH-DEOSSOPVSA-N	-1	3	429.520	5.643	50	10		IKCAHM
Cc1ccc(NCc2cc(-c3nn(CNc4ccc(C)cc4)c(=S)o3)ccc2[O-])cc1	ZINC000003016723	556158231	/nfs/dbraw/zinc/15/82/31/556158231.db2.gz	VIRTXEGBLHOLPR-UHFFFAOYSA-N	-1	3	432.549	5.877	50	10		IKCAHM
Cc1ccnc(N[C@@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2[O-])c1	ZINC000008452686	556183067	/nfs/dbraw/zinc/18/30/67/556183067.db2.gz	YGDWDKVACVMXAO-MHZLTWQESA-N	-1	3	447.538	6.424	50	10		IKCAHM
CCOc1ccc([C@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1OCC	ZINC000008453119	556183750	/nfs/dbraw/zinc/18/37/50/556183750.db2.gz	NUENVLGLYLEKBR-VWLOTQADSA-N	-1	3	443.547	5.951	50	10		IKCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014187828	556386584	/nfs/dbraw/zinc/38/65/84/556386584.db2.gz	RVPSJQWTMAIKJI-QHCPKHFHSA-N	-1	3	432.863	5.626	50	10		IKCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014187830	556386651	/nfs/dbraw/zinc/38/66/51/556386651.db2.gz	RVPSJQWTMAIKJI-HSZRJFAPSA-N	-1	3	432.863	5.626	50	10		IKCAHM
Cc1ccnc(N[C@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016010	556485216	/nfs/dbraw/zinc/48/52/16/556485216.db2.gz	VNZDOJNNZBOYJL-AREMUKBSSA-N	-1	3	439.559	6.475	50	10		IKCAHM
[O-]c1c([C@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc21	ZINC000015017083	556486453	/nfs/dbraw/zinc/48/64/53/556486453.db2.gz	CNRARIIFXOGWOA-HHHXNRCGSA-N	-1	3	433.511	6.116	50	10		IKCAHM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000015945716	556566852	/nfs/dbraw/zinc/56/68/52/556566852.db2.gz	XTKDSGVCZBCGGC-ZMZPIMSZSA-N	-1	3	449.414	6.186	50	10		IKCAHM
COc1ccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c(OC)c1OC	ZINC000018188422	556686117	/nfs/dbraw/zinc/68/61/17/556686117.db2.gz	PWOPJJWARHVWIL-QHCPKHFHSA-N	-1	3	445.519	5.180	50	10		IKCAHM
Cc1cc(C(=O)CSc2nnc([N-]c3ccccc3F)s2)c(C)n1-c1ccccc1	ZINC000003365343	556812040	/nfs/dbraw/zinc/81/20/40/556812040.db2.gz	QOWAETKKSMBEKP-UHFFFAOYSA-N	-1	3	438.553	5.803	50	10		IKCAHM
[O-]c1ccc(-c2nc3ccccc3s2)cc1CN1CCN(c2cccc(Cl)c2)CC1	ZINC000064120787	556822873	/nfs/dbraw/zinc/82/28/73/556822873.db2.gz	LQYDBAHRYLSRDL-UHFFFAOYSA-N	-1	3	435.980	5.645	50	10		IKCAHM
[O-]c1c([C@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000019902786	556942328	/nfs/dbraw/zinc/94/23/28/556942328.db2.gz	TZGHJILNBSLQPO-XMMPIXPASA-N	-1	3	448.929	5.040	50	10		IKCAHM
O=C([N-]N1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=S)c1ccccc1Cl	ZINC000033293741	557076715	/nfs/dbraw/zinc/07/67/15/557076715.db2.gz	XMCIPBYUOZCZPS-VGOFMYFVSA-N	-1	3	443.764	5.193	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2F)N3)c(C)c1	ZINC000043765342	557077901	/nfs/dbraw/zinc/07/79/01/557077901.db2.gz	GXQQCRJNMBUKQF-GOHWNWGWSA-N	-1	3	448.563	6.070	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(C)cc2)N3)cc1	ZINC000043781691	557100863	/nfs/dbraw/zinc/10/08/63/557100863.db2.gz	IBIOMFGDGXSFOT-MVERNJQCSA-N	-1	3	446.572	5.631	50	10		IKCAHM
CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)c1	ZINC000101125577	557261429	/nfs/dbraw/zinc/26/14/29/557261429.db2.gz	VDZZEBVSBXWHKC-OQLLNIDSSA-N	-1	3	437.714	5.324	50	10		IKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1	ZINC000102907368	557411874	/nfs/dbraw/zinc/41/18/74/557411874.db2.gz	LDXBECMGKIJQKC-OXQOHEQNSA-N	-1	3	445.700	5.643	50	10		IKCAHM
[O-]c1c([C@@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc21	ZINC000002708576	557841298	/nfs/dbraw/zinc/84/12/98/557841298.db2.gz	YDSHHDISKUSKFW-FQEVSTJZSA-N	-1	3	449.482	6.353	50	10		IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCCC[C@H]3C)c2oc1C(F)(F)F	ZINC000000946474	562919759	/nfs/dbraw/zinc/91/97/59/562919759.db2.gz	HJLUWROVCFUBNV-CQSZACIVSA-N	-1	3	447.453	5.567	50	10		IKCAHM
[O-]c1c([C@H](Nc2nc3ccccc3s2)c2ccc(OC(F)F)cc2)ccc2cccnc21	ZINC000013062707	562984226	/nfs/dbraw/zinc/98/42/26/562984226.db2.gz	YDSHHDISKUSKFW-HXUWFJFHSA-N	-1	3	449.482	6.353	50	10		IKCAHM
COc1cccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000020755898	563025060	/nfs/dbraw/zinc/02/50/60/563025060.db2.gz	HRRRIURHGMFFFH-JOCHJYFZSA-N	-1	3	448.906	5.130	50	10		IKCAHM
CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000004132899	568781191	/nfs/dbraw/zinc/78/11/91/568781191.db2.gz	QTFBGSKBYZNYHK-QGHHPUGFSA-N	-1	3	435.387	5.221	50	10		IKCAHM
O=C(CCc1nc(-c2ccco2)no1)N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21	ZINC000084522607	568798443	/nfs/dbraw/zinc/79/84/43/568798443.db2.gz	UQCITIDNPFDASO-RUZDIDTESA-N	-1	3	439.471	5.027	50	10		IKCAHM
CCc1cc2c(oc(=O)c3cnc4c(sc5nc(C)cc(C)c54)c32)c(CN(C)C)c1[O-]	ZINC000032501416	568811667	/nfs/dbraw/zinc/81/16/67/568811667.db2.gz	CUEGAKHMQVXOGQ-UHFFFAOYSA-N	-1	3	433.533	5.051	50	10		IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCC[C@@H](C)C3)c2oc1C(F)(F)F	ZINC000006162687	568849055	/nfs/dbraw/zinc/84/90/55/568849055.db2.gz	VSVRCAWGDWSIPT-CQSZACIVSA-N	-1	3	447.453	5.425	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053362992	568866373	/nfs/dbraw/zinc/86/63/73/568866373.db2.gz	LHKFLWITZTXWMU-RBBKRZOGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccc(Br)c2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363415	568866654	/nfs/dbraw/zinc/86/66/54/568866654.db2.gz	FUBNFRSZFRLGMW-UNMCSNQZSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Br)cc2)N1	ZINC000053363473	568866664	/nfs/dbraw/zinc/86/66/64/568866664.db2.gz	UBRBQWJWTXYKPE-UNMCSNQZSA-N	-1	3	441.756	6.031	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364736	568867132	/nfs/dbraw/zinc/86/71/32/568867132.db2.gz	HNLRLWZOJZIQBX-ISKFKSNPSA-N	-1	3	425.359	6.484	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364881	568867146	/nfs/dbraw/zinc/86/71/46/568867146.db2.gz	JGVXUDRJFBAANG-UPVQGACJSA-N	-1	3	441.358	6.320	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2cccc(Cl)c2)=N[C@H](c2ccc(Br)cc2)N1	ZINC000053364688	568867158	/nfs/dbraw/zinc/86/71/58/568867158.db2.gz	QSHJXGBTSBRZKH-IRLDBZIGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COc1ccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000006397289	568876033	/nfs/dbraw/zinc/87/60/33/568876033.db2.gz	IHUQMSMIRSMDBD-VTJDKEBTSA-N	-1	3	444.918	5.787	50	10		IKCAHM
COc1cc2c(cc1OC)[C@@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1[O-])CC2	ZINC000022023269	568891608	/nfs/dbraw/zinc/89/16/08/568891608.db2.gz	PKXNQUUEFVHQSL-XMMPIXPASA-N	-1	3	444.358	5.864	50	10		IKCAHM
COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)N(Cc1cc(Cl)ccc1[O-])CC2	ZINC000022023268	568891625	/nfs/dbraw/zinc/89/16/25/568891625.db2.gz	PKXNQUUEFVHQSL-DEOSSOPVSA-N	-1	3	444.358	5.864	50	10		IKCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1	ZINC000089677971	569161233	/nfs/dbraw/zinc/16/12/33/569161233.db2.gz	VNTGDQIZCUIUDE-VWLOTQADSA-N	-1	3	436.515	5.251	50	10		IKCAHM
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000037613798	569203072	/nfs/dbraw/zinc/20/30/72/569203072.db2.gz	KLLKBTDTOANIRJ-SLSDLSHTSA-N	-1	3	432.545	5.323	50	10		IKCAHM
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1cc(Cl)ccc1[O-])c1ccc(C)cc1	ZINC000027571953	569273661	/nfs/dbraw/zinc/27/36/61/569273661.db2.gz	GTCRVSFIFHERSR-LJSCERKKSA-N	-1	3	428.919	6.244	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCC[C@H](C)C2)c1[O-]	ZINC000011869513	569303135	/nfs/dbraw/zinc/30/31/35/569303135.db2.gz	NYPMOHTYSGSIJQ-INIZCTEOSA-N	-1	3	445.563	5.155	50	10		IKCAHM
O=c1c2ccc([O-])c(CN3CCCC3)c2oc(C(F)(F)F)c1Oc1ccccc1Cl	ZINC000019793016	569329345	/nfs/dbraw/zinc/32/93/45/569329345.db2.gz	VSVFXMUBDWVHEC-UHFFFAOYSA-N	-1	3	439.817	5.559	50	10		IKCAHM
COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)c1OC	ZINC000020070710	569333364	/nfs/dbraw/zinc/33/33/64/569333364.db2.gz	IGIKCDMWPFJRJZ-CYFREDJKSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020070704	569333383	/nfs/dbraw/zinc/33/33/83/569333383.db2.gz	GGBCREULTAGHTC-DVECYGJZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)c1OC	ZINC000020070796	569333431	/nfs/dbraw/zinc/33/34/31/569333431.db2.gz	WKAVKZMULJNSGK-YADARESESA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)c1OC	ZINC000020070801	569333434	/nfs/dbraw/zinc/33/34/34/569333434.db2.gz	WKAVKZMULJNSGK-NTKDMRAZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)cc1OC	ZINC000020070790	569333458	/nfs/dbraw/zinc/33/34/58/569333458.db2.gz	JFOCPAHVCOGNAJ-NTKDMRAZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)c1	ZINC000080324593	569362281	/nfs/dbraw/zinc/36/22/81/569362281.db2.gz	FLILAMIIHKBRPE-UMEGOILYSA-N	-1	3	434.536	5.761	50	10		IKCAHM
COc1ccc(-c2csc(NCc3c([O-])ccc4ccccc43)n2)cc1Br	ZINC000002845779	569423359	/nfs/dbraw/zinc/42/33/59/569423359.db2.gz	UCDKXRPMJJDCNF-UHFFFAOYSA-N	-1	3	441.350	6.052	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc(Br)cc2)=N[C@@H](c2ccsc2)N1	ZINC000058083475	569446867	/nfs/dbraw/zinc/44/68/67/569446867.db2.gz	BQIOANBRHPLXOB-UYAOXDASSA-N	-1	3	447.785	6.092	50	10		IKCAHM
O=[N+]([O-])c1cccc([C@@H](Nc2nc3c(s2)CCCC3)c2ccc3cccnc3c2[O-])c1	ZINC000008815585	569476733	/nfs/dbraw/zinc/47/67/33/569476733.db2.gz	WWTYYBWCJMFCHT-HXUWFJFHSA-N	-1	3	432.505	5.385	50	10		IKCAHM
O=[N+]([O-])c1cccc(-c2csc(N3N=C(c4ccccc4[O-])C[C@H]3c3ccccc3)n2)c1	ZINC000039932479	569482040	/nfs/dbraw/zinc/48/20/40/569482040.db2.gz	WPVZJEKCFRWBPQ-QFIPXVFZSA-N	-1	3	442.500	5.780	50	10		IKCAHM
COc1cc(/C=C2\C=C(c3ccc(-c4ccccc4)cc3)OC2=O)cc(Br)c1[O-]	ZINC000009434558	569534772	/nfs/dbraw/zinc/53/47/72/569534772.db2.gz	SCDQZZALPCKFNH-YBFXNURJSA-N	-1	3	449.300	5.812	50	10		IKCAHM
CCc1ccc(C2=N[C@](C)(CC(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000009542111	569545888	/nfs/dbraw/zinc/54/58/88/569545888.db2.gz	ZSAPBFNUIQHESP-GGAORHGYSA-N	-1	3	429.402	6.003	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000009542855	569545895	/nfs/dbraw/zinc/54/58/95/569545895.db2.gz	PGMFATWYWNNVNE-FYYLOGMGSA-N	-1	3	439.328	5.825	50	10		IKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1	ZINC000010215366	569579209	/nfs/dbraw/zinc/57/92/09/569579209.db2.gz	LDXBECMGKIJQKC-JXFKEZNVSA-N	-1	3	445.700	5.643	50	10		IKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccco1	ZINC000010215361	569579216	/nfs/dbraw/zinc/57/92/16/569579216.db2.gz	LDXBECMGKIJQKC-OXJNMPFZSA-N	-1	3	445.700	5.643	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1	ZINC000010215254	569579255	/nfs/dbraw/zinc/57/92/55/569579255.db2.gz	GORQYQJYNCVMMB-YLJYHZDGSA-N	-1	3	427.323	5.459	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053363264	193927606	/nfs/dbraw/zinc/92/76/06/193927606.db2.gz	KDBKOIIDRVUBRI-XXBNENTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
CC(C)(C)c1cc([C@H](c2c([O-])ccc3ccccc32)N2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840406	519005737	/nfs/dbraw/zinc/00/57/37/519005737.db2.gz	NEARPYRYUBUGBV-AREMUKBSSA-N	-1	3	447.619	6.268	50	10		IKCAHM
CC(C)(C)c1cc([C@@H](c2c([O-])ccc3ccccc32)N2CCOCC2)cc(C(C)(C)C)c1O	ZINC000020840409	519006338	/nfs/dbraw/zinc/00/63/38/519006338.db2.gz	NEARPYRYUBUGBV-SANMLTNESA-N	-1	3	447.619	6.268	50	10		IKCAHM
COc1ccc(C(=O)N[C@H](c2ccccc2OC)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000020755888	523736036	/nfs/dbraw/zinc/73/60/36/523736036.db2.gz	BONUUJAVGIBKMT-JOCHJYFZSA-N	-1	3	448.906	5.130	50	10	biogenic	IKCAHM
COc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000020755911	523736563	/nfs/dbraw/zinc/73/65/63/523736563.db2.gz	PUSIUWDEWAXQNL-JOCHJYFZSA-N	-1	3	448.906	5.130	50	10	biogenic	IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccccc2Cl)N1	ZINC000020763534	526346095	/nfs/dbraw/zinc/34/60/95/526346095.db2.gz	JASVRWHNSBCFKZ-WMZHIEFXSA-N	-1	3	441.314	5.650	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2ccccc2Cl)N1	ZINC000020763543	526347264	/nfs/dbraw/zinc/34/72/64/526347264.db2.gz	JASVRWHNSBCFKZ-CVDCTZTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
O=C(CCc1ccccc1)N[C@@H](c1ccc2c(c1)OCO2)c1c([O-])ccc2ccccc21	ZINC000000801043	555559384	/nfs/dbraw/zinc/55/93/84/555559384.db2.gz	BWXIBDZNZFVSNI-MHZLTWQESA-N	-1	3	425.484	5.113	50	10		IKCAHM
O=c1c2ccc([O-])c(CN3CCCCC3)c2oc(C(F)(F)F)c1-c1ccccc1Cl	ZINC000001747710	555712086	/nfs/dbraw/zinc/71/20/86/555712086.db2.gz	PZCDEBPCTKJHHP-UHFFFAOYSA-N	-1	3	437.845	5.824	50	10	biogenic	IKCAHM
CCCCN(C)Cc1c([O-])ccc2c(=O)c(-c3ccccc3OC)c(C(F)(F)F)oc21	ZINC000001782080	555714641	/nfs/dbraw/zinc/71/46/41/555714641.db2.gz	OGSACWKOXLQKCZ-UHFFFAOYSA-N	-1	3	435.442	5.425	50	10	biogenic	IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCCCCC3)c2oc1C(F)(F)F	ZINC000001780031	555714653	/nfs/dbraw/zinc/71/46/53/555714653.db2.gz	KJEXVWOIFYUOMU-UHFFFAOYSA-N	-1	3	447.453	5.569	50	10	biogenic	IKCAHM
Cc1cccc(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2[O-])n1	ZINC000002874257	555851329	/nfs/dbraw/zinc/85/13/29/555851329.db2.gz	XPYSRKPOTZOHOF-SANMLTNESA-N	-1	3	439.559	6.475	50	10		IKCAHM
COc1cccc(C(=O)N[C@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000006432018	556087218	/nfs/dbraw/zinc/08/72/18/556087218.db2.gz	DYRXAXDGAQMJDP-JOCHJYFZSA-N	-1	3	432.907	5.430	50	10	biogenic	IKCAHM
CC(=O)Nc1cccc(N=Cc2c(C)[n-]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)c1	ZINC000008440478	556176480	/nfs/dbraw/zinc/17/64/80/556176480.db2.gz	VDZZEBVSBXWHKC-DHDCSXOGSA-N	-1	3	437.714	5.324	50	10		IKCAHM
CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2c(CN2CCCCC2)c1[O-]	ZINC000008828697	556224829	/nfs/dbraw/zinc/22/48/29/556224829.db2.gz	UUVRVBKHTIGLKP-UHFFFAOYSA-N	-1	3	443.547	5.208	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccccc2F)N3)c(C)c1	ZINC000014166031	556379324	/nfs/dbraw/zinc/37/93/24/556379324.db2.gz	GXQQCRJNMBUKQF-BVFVYWQFSA-N	-1	3	448.563	6.070	50	10		IKCAHM
Cc1nc2cc(NC(=O)[C@H]3CC34CCN(Cc3cc(Cl)ccc3[O-])CC4)ccc2s1	ZINC000011996201	556384126	/nfs/dbraw/zinc/38/41/26/556384126.db2.gz	FVSQBZJNHCRBLM-GOSISDBHSA-N	-1	3	441.984	5.205	50	10		IKCAHM
CCOc1ccc([C@H](Nc2cccc(C)n2)c2ccc3cccnc3c2[O-])cc1OCC	ZINC000015015722	556484713	/nfs/dbraw/zinc/48/47/13/556484713.db2.gz	GIWMLLDBFDPOEQ-DEOSSOPVSA-N	-1	3	429.520	5.643	50	10		IKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(Oc4ccccc4)c3)c([O-])c2n1	ZINC000015015687	556484801	/nfs/dbraw/zinc/48/48/01/556484801.db2.gz	ICTCRAUTUKBQIN-AREMUKBSSA-N	-1	3	433.511	6.638	50	10		IKCAHM
Cc1ccnc(N[C@@H](c2ccc(OC3CCCC3)cc2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016009	556485159	/nfs/dbraw/zinc/48/51/59/556485159.db2.gz	VNZDOJNNZBOYJL-SANMLTNESA-N	-1	3	439.559	6.475	50	10		IKCAHM
[O-]c1c([C@@H](Nc2cccnc2)c2ccccc2OCc2ccccc2)ccc2cccnc21	ZINC000015017082	556486503	/nfs/dbraw/zinc/48/65/03/556486503.db2.gz	CNRARIIFXOGWOA-MHZLTWQESA-N	-1	3	433.511	6.116	50	10		IKCAHM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000015945718	556566872	/nfs/dbraw/zinc/56/68/72/556566872.db2.gz	XTKDSGVCZBCGGC-VOJFVSQTSA-N	-1	3	449.414	6.186	50	10		IKCAHM
CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-]	ZINC000015947813	556568704	/nfs/dbraw/zinc/56/87/04/556568704.db2.gz	GDAVIIMNADPHBO-WNWIJWBNSA-N	-1	3	427.353	5.713	50	10		IKCAHM
COc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c(OC)c1OC	ZINC000018169871	556685651	/nfs/dbraw/zinc/68/56/51/556685651.db2.gz	PWOPJJWARHVWIL-HSZRJFAPSA-N	-1	3	445.519	5.180	50	10		IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC[C@H]4C)c3oc2C(F)(F)F)c1	ZINC000019791547	556915193	/nfs/dbraw/zinc/91/51/93/556915193.db2.gz	FGHLSHCVMZJNMM-OAHLLOKOSA-N	-1	3	447.453	5.993	50	10	biogenic	IKCAHM
COc1cccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2cccc(C)c2)N3)c1	ZINC000043765332	557078024	/nfs/dbraw/zinc/07/80/24/557078024.db2.gz	IIQKVBNNKZPKIC-MVERNJQCSA-N	-1	3	446.572	5.631	50	10		IKCAHM
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000000653949	557129842	/nfs/dbraw/zinc/12/98/42/557129842.db2.gz	NUNRFKNXAHVCNW-NOTUOJBMSA-N	-1	3	444.600	6.239	50	10		IKCAHM
CCN(CC)c1ccc(C=C2SC(Nc3cccc(Br)c3)=NC2=O)c([O-])c1	ZINC000018193880	557247286	/nfs/dbraw/zinc/24/72/86/557247286.db2.gz	WKHGLTCNKYLZQW-ZDLGFXPLSA-N	-1	3	446.370	5.083	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1ccsc1	ZINC000102005940	557311908	/nfs/dbraw/zinc/31/19/08/557311908.db2.gz	GORQYQJYNCVMMB-XLIONFOSSA-N	-1	3	427.323	5.459	50	10		IKCAHM
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(Br)c2ccccc12	ZINC000103657902	557317611	/nfs/dbraw/zinc/31/76/11/557317611.db2.gz	VXURGPPVMYFNOO-UYRXBGFRSA-N	-1	3	434.337	5.938	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C)cc2)N3)cc1	ZINC000107174486	557535069	/nfs/dbraw/zinc/53/50/69/557535069.db2.gz	IBIOMFGDGXSFOT-UMFSSWHCSA-N	-1	3	446.572	5.631	50	10		IKCAHM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)cc1C	ZINC000001134393	562920673	/nfs/dbraw/zinc/92/06/73/562920673.db2.gz	XTLUDINLEUZFDI-UHFFFAOYSA-N	-1	3	433.529	5.644	50	10		IKCAHM
COc1ccc([C@H](NC(=O)c2cccc(OC)c2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000006405460	562946659	/nfs/dbraw/zinc/94/66/59/562946659.db2.gz	MZGLFQDAHATKPL-QFIPXVFZSA-N	-1	3	448.906	5.130	50	10		IKCAHM
COc1cccc(C(=O)N[C@H](/C=C/c2ccccc2)c2cc(Cl)c3cccnc3c2[O-])c1	ZINC000006427093	562946706	/nfs/dbraw/zinc/94/67/06/562946706.db2.gz	MIDIVLDQHNVZLB-MDRMPYQZSA-N	-1	3	444.918	5.787	50	10		IKCAHM
C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(-c3ccc(Br)cc3)coc21	ZINC000009075650	562966956	/nfs/dbraw/zinc/96/69/56/562966956.db2.gz	IGVTUOUWEWKZBH-AWEZNQCLSA-N	-1	3	428.326	5.303	50	10		IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCCCC3)c2oc1C(F)(F)F	ZINC000000946468	568643609	/nfs/dbraw/zinc/64/36/09/568643609.db2.gz	RJOBLLNKNDGUNW-UHFFFAOYSA-N	-1	3	433.426	5.179	50	10	biogenic	IKCAHM
O=c1c2ccc([O-])c(CN3CCCCC3)c2oc(C(F)(F)F)c1-c1cccc(Cl)c1	ZINC000001747724	568738440	/nfs/dbraw/zinc/73/84/40/568738440.db2.gz	OJTHAYMCSWJQPV-UHFFFAOYSA-N	-1	3	437.845	5.824	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362952	568866455	/nfs/dbraw/zinc/86/64/55/568866455.db2.gz	UJKSUESWRWBMQY-GGAORHGYSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1cccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000053363339	568866580	/nfs/dbraw/zinc/86/65/80/568866580.db2.gz	NFHPFWJZHOBQBV-GMAHTHKFSA-N	-1	3	427.331	5.930	50	10		IKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363340	568866584	/nfs/dbraw/zinc/86/65/84/568866584.db2.gz	KSGPNRNCZNNXLW-FYYLOGMGSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1ccc([C@H]2N=C(c3cccc(Br)c3)C[C@H](c3ccccc3[O-])N2)cc1	ZINC000053363402	568866595	/nfs/dbraw/zinc/86/65/95/568866595.db2.gz	BELSYEXBRQMBIE-GGAORHGYSA-N	-1	3	437.337	5.386	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1	ZINC000053363468	568866698	/nfs/dbraw/zinc/86/66/98/568866698.db2.gz	UBRBQWJWTXYKPE-IFMALSPDSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COC(=O)c1ccc([C@@H]2N=C(c3ccc(C)cc3)C[C@@H](c3cc(Cl)ccc3[O-])N2)cc1	ZINC000053364655	568866805	/nfs/dbraw/zinc/86/68/05/568866805.db2.gz	MNMDESKCUPUODS-LADGPHEKSA-N	-1	3	434.923	5.363	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3cccnc3)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053364888	568867026	/nfs/dbraw/zinc/86/70/26/568867026.db2.gz	FKXBSPNSQDPGIL-GGAORHGYSA-N	-1	3	436.353	5.335	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364877	568867125	/nfs/dbraw/zinc/86/71/25/568867125.db2.gz	JGVXUDRJFBAANG-VWNXMTODSA-N	-1	3	441.358	6.320	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364855	568867129	/nfs/dbraw/zinc/86/71/29/568867129.db2.gz	OACJIYZHCYNRCN-FYYLOGMGSA-N	-1	3	427.331	5.930	50	10		IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(-c3cccc(Cl)c3)c(C(F)(F)F)oc21	ZINC000001747726	568904169	/nfs/dbraw/zinc/90/41/69/568904169.db2.gz	HNVPYDDZMTZRHV-UHFFFAOYSA-N	-1	3	425.834	5.680	50	10		IKCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccccc1Br	ZINC000001774438	568906285	/nfs/dbraw/zinc/90/62/85/568906285.db2.gz	OMMKZQDOMZFSRC-QHCPKHFHSA-N	-1	3	432.317	5.827	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccccc2)=NC2(CCN(Cc3ccccc3)CC2)N1	ZINC000065297959	569131840	/nfs/dbraw/zinc/13/18/40/569131840.db2.gz	RUWLSNDCEBHWGG-RUZDIDTESA-N	-1	3	445.994	5.562	50	10	biogenic	IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)cc1	ZINC000002332896	569274703	/nfs/dbraw/zinc/27/47/03/569274703.db2.gz	IIQIYHMDZIXVEC-UHFFFAOYSA-N	-1	3	433.426	5.179	50	10	biogenic	IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCCC[C@H]2C)c1[O-]	ZINC000011869535	569303123	/nfs/dbraw/zinc/30/31/23/569303123.db2.gz	BTPBRWYLFXBRFQ-MRXNPFEDSA-N	-1	3	445.563	5.298	50	10		IKCAHM
COc1ccc(-c2c(=O)c3ccc([O-])c(CN4CCC(C)CC4)c3oc2C(F)(F)F)cc1	ZINC000011868481	569303140	/nfs/dbraw/zinc/30/31/40/569303140.db2.gz	ITOCXIODVQCZRM-UHFFFAOYSA-N	-1	3	447.453	5.425	50	10		IKCAHM
CCCCN(C)Cc1c([O-])ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc21	ZINC000019793043	569329437	/nfs/dbraw/zinc/32/94/37/569329437.db2.gz	NJPHICWAMABCMM-UHFFFAOYSA-N	-1	3	449.469	6.104	50	10		IKCAHM
COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020070701	569333451	/nfs/dbraw/zinc/33/34/51/569333451.db2.gz	GGBCREULTAGHTC-YADARESESA-N	-1	3	436.895	5.305	50	10		IKCAHM
CN1CCN([C@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000020265763	569358617	/nfs/dbraw/zinc/35/86/17/569358617.db2.gz	JCEPSTIDMNPORW-HXUWFJFHSA-N	-1	3	436.770	5.237	50	10		IKCAHM
CN1CCN([C@@H](c2ccc(Cl)cc2Cl)c2cc(Cl)c3cccnc3c2[O-])CC1	ZINC000020265760	569358675	/nfs/dbraw/zinc/35/86/75/569358675.db2.gz	JCEPSTIDMNPORW-FQEVSTJZSA-N	-1	3	436.770	5.237	50	10		IKCAHM
CCOc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc(Cl)c1[O-]	ZINC000002938595	569426525	/nfs/dbraw/zinc/42/65/25/569426525.db2.gz	WLUAXUMSEQXJKH-QPEQYQDCSA-N	-1	3	445.224	5.446	50	10		IKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccccc2OCc2ccccc2)ccc2cccnc21	ZINC000008432524	569464270	/nfs/dbraw/zinc/46/42/70/569464270.db2.gz	RQWRNOPXFUSWKH-HHHXNRCGSA-N	-1	3	433.511	6.116	50	10		IKCAHM
[O-]c1ccccc1C1=NN(c2nc(-c3ccc(Cl)cc3)cs2)[C@@](O)(C(F)(F)F)C1	ZINC000008711396	569470998	/nfs/dbraw/zinc/47/09/98/569470998.db2.gz	MHQQUTDABPLFII-SFHVURJKSA-N	-1	3	439.846	5.034	50	10		IKCAHM
COc1ccc(-c2c(C)c3ccc([O-])c(CN(C)Cc4ccccc4)c3oc2=O)c(OC)c1	ZINC000008769004	569475029	/nfs/dbraw/zinc/47/50/29/569475029.db2.gz	MHASVPYIKQZVJJ-UHFFFAOYSA-N	-1	3	445.515	5.123	50	10	biogenic	IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCCC(C)(C)C2)c1[O-]	ZINC000008964574	569491253	/nfs/dbraw/zinc/49/12/53/569491253.db2.gz	IUFYMYYNJLQFDK-UHFFFAOYSA-N	-1	3	445.563	5.237	50	10	biogenic	IKCAHM
COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)c2ccccc2)cc1OC	ZINC000009159467	569508581	/nfs/dbraw/zinc/50/85/81/569508581.db2.gz	LSRQIEBDTSTSST-HXUWFJFHSA-N	-1	3	436.895	5.054	50	10		IKCAHM
Cc1ccc(C(=O)N2N=C(c3ccccc3[O-])C[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009192399	569510741	/nfs/dbraw/zinc/51/07/41/569510741.db2.gz	XOTOGPQEHVVJLC-OAQYLSRUSA-N	-1	3	435.321	5.455	50	10		IKCAHM
COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)c2ccc(C)cc2)cc1	ZINC000009328864	569522867	/nfs/dbraw/zinc/52/28/67/569522867.db2.gz	QMIWHIWIOBMTSK-AREMUKBSSA-N	-1	3	436.511	5.854	50	10		IKCAHM
CCc1ccc(C2=N[C@](C)(CC(C)C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000009542105	569545920	/nfs/dbraw/zinc/54/59/20/569545920.db2.gz	ZSAPBFNUIQHESP-GMAHTHKFSA-N	-1	3	429.402	6.003	50	10		IKCAHM
Cc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000009849686	569571316	/nfs/dbraw/zinc/57/13/16/569571316.db2.gz	NUNRFKNXAHVCNW-KHVXQDHOSA-N	-1	3	444.600	6.239	50	10		IKCAHM
CCOc1cccc2c1O[C@@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21	ZINC000010216028	569579252	/nfs/dbraw/zinc/57/92/52/569579252.db2.gz	LPDDLBIBEDCDEM-GCJKJVERSA-N	-1	3	426.925	5.748	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363101	193927335	/nfs/dbraw/zinc/92/73/35/193927335.db2.gz	SVOZOXLFQNSOAE-VWNXMTODSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1	ZINC000014086441	132356034	/nfs/dbraw/zinc/35/60/34/132356034.db2.gz	VFLROUUBSBKEEB-UHFFFAOYSA-N	-1	3	444.604	5.274	50	10		IKCAHM
CCOc1ccc(C2=N[C@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763265	520932079	/nfs/dbraw/zinc/93/20/79/520932079.db2.gz	QJCVTACPCDMFHR-VWNXMTODSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020765101	520932340	/nfs/dbraw/zinc/93/23/40/520932340.db2.gz	JGVXUDRJFBAANG-ISKFKSNPSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763379	523902537	/nfs/dbraw/zinc/90/25/37/523902537.db2.gz	XRJYCWVMCYRRJI-ISKFKSNPSA-N	-1	3	425.359	6.484	50	10		IKCAHM
COc1ccccc1[C@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2[O-])N1	ZINC000020763758	524816284	/nfs/dbraw/zinc/81/62/84/524816284.db2.gz	UMSSTSXPSLGLKF-REWPJTCUSA-N	-1	3	437.337	5.386	50	10		IKCAHM
CCOc1cccc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])c1OC	ZINC000002470509	555783267	/nfs/dbraw/zinc/78/32/67/555783267.db2.gz	CBMCUGPDDZTZAO-DEOSSOPVSA-N	-1	3	429.520	5.561	50	10		IKCAHM
COc1cc([C@@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc(OC)c1OC	ZINC000004164730	555971315	/nfs/dbraw/zinc/97/13/15/555971315.db2.gz	PKONGJVFAYPTNC-HSZRJFAPSA-N	-1	3	445.519	5.180	50	10	biogenic	IKCAHM
[O-]c1c([C@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12	ZINC000006457192	556088870	/nfs/dbraw/zinc/08/88/70/556088870.db2.gz	ZGPXGWJYXQSINJ-LJQANCHMSA-N	-1	3	440.728	5.953	50	10		IKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccccc2Br)cc(Cl)c2cccnc12	ZINC000006457188	556088928	/nfs/dbraw/zinc/08/89/28/556088928.db2.gz	ZGPXGWJYXQSINJ-IBGZPJMESA-N	-1	3	440.728	5.953	50	10		IKCAHM
Cc1ccc2ccc([C@@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c([O-])c2n1	ZINC000006456128	556088958	/nfs/dbraw/zinc/08/89/58/556088958.db2.gz	HCTZDSCZZMIZFD-MHZLTWQESA-N	-1	3	447.538	6.424	50	10		IKCAHM
Cc1ccc2ccc([C@H](Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c([O-])c2n1	ZINC000006456123	556088971	/nfs/dbraw/zinc/08/89/71/556088971.db2.gz	HCTZDSCZZMIZFD-HHHXNRCGSA-N	-1	3	447.538	6.424	50	10		IKCAHM
O=[N+]([O-])c1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)c2ccc3cccnc3c2[O-])cc1	ZINC000008431968	556171502	/nfs/dbraw/zinc/17/15/02/556171502.db2.gz	MEUOJOIESTUYCE-HXUWFJFHSA-N	-1	3	439.393	6.069	50	10		IKCAHM
CCOc1cc(/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000008456866	556186234	/nfs/dbraw/zinc/18/62/34/556186234.db2.gz	KQQQWAGPPDBVJD-OVCLIPMQSA-N	-1	3	435.705	5.013	50	10		IKCAHM
CN(Cc1csc(-c2ccccc2)n1)Cc1cc(-c2nc3ccccc3s2)ccc1[O-]	ZINC000014987268	556473419	/nfs/dbraw/zinc/47/34/19/556473419.db2.gz	QRCOANVOZQMHQX-UHFFFAOYSA-N	-1	3	443.597	6.424	50	10		IKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2cccc(Br)c2)cc(Cl)c2cccnc12	ZINC000015016781	556486203	/nfs/dbraw/zinc/48/62/03/556486203.db2.gz	KNXAAGPALKKPMQ-IBGZPJMESA-N	-1	3	440.728	5.953	50	10		IKCAHM
Cc1ccc([C@H](NC(=O)COc2ccccc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000015821826	556554081	/nfs/dbraw/zinc/55/40/81/556554081.db2.gz	OQNQXFLPBUDTCY-QHCPKHFHSA-N	-1	3	432.907	5.187	50	10	biogenic	IKCAHM
CCOc1cc(Cl)c(Cl)c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[C@H](C)C4)c1[O-]	ZINC000015947811	556568685	/nfs/dbraw/zinc/56/86/85/556568685.db2.gz	GDAVIIMNADPHBO-QPFGOUBPSA-N	-1	3	427.353	5.713	50	10		IKCAHM
COc1ccc(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)c([O-])c1	ZINC000016672153	556622063	/nfs/dbraw/zinc/62/20/63/556622063.db2.gz	VMQTWCRNUUAREG-VWLOTQADSA-N	-1	3	439.939	5.219	50	10		IKCAHM
Cc1oc(C)c2c1c(=O)ccc(N=Nc1ccc(C)c(NC(=O)c3ccccc3)c1)c2[O-]	ZINC000098086994	557123646	/nfs/dbraw/zinc/12/36/46/557123646.db2.gz	NOXUKCWVLPYIEI-BYYHNAKLSA-N	-1	3	427.460	6.092	50	10		IKCAHM
CCCCC1(/N=N/c2cccc([O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O	ZINC000100954429	557279606	/nfs/dbraw/zinc/27/96/06/557279606.db2.gz	CVQNSYWYKGSRJY-CYYJNZCTSA-N	-1	3	428.492	5.400	50	10		IKCAHM
O=C1c2ccccc2C(c2c([O-])ccc3ccccc32)=CC1=NNc1cccc2cccnc21	ZINC000100482664	557409096	/nfs/dbraw/zinc/40/90/96/557409096.db2.gz	SIDIAVHUCKEBLW-QNEJGDQOSA-N	-1	3	441.490	8.035	50	10	biogenic	IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCCC[C@@H]3C)c2oc1C(F)(F)F	ZINC000000946473	562919727	/nfs/dbraw/zinc/91/97/27/562919727.db2.gz	HJLUWROVCFUBNV-AWEZNQCLSA-N	-1	3	447.453	5.567	50	10		IKCAHM
O=c1c2ccc([O-])c(CN3CCCCC3)c2oc(C(F)(F)F)c1-c1ccc(Cl)cc1	ZINC000001747677	562924623	/nfs/dbraw/zinc/92/46/23/562924623.db2.gz	KFSLKJHUGLVEPH-UHFFFAOYSA-N	-1	3	437.845	5.824	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)cc1	ZINC000019792864	563022946	/nfs/dbraw/zinc/02/29/46/563022946.db2.gz	KQNHXXAQSDRZCK-UHFFFAOYSA-N	-1	3	433.426	5.604	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCC[C@H]4C)c3oc2C(F)(F)F)cc1	ZINC000019792868	563023000	/nfs/dbraw/zinc/02/30/00/563023000.db2.gz	KHWDWMQAZPISJY-OAHLLOKOSA-N	-1	3	447.453	5.993	50	10		IKCAHM
CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000004132903	568781247	/nfs/dbraw/zinc/78/12/47/568781247.db2.gz	QTFBGSKBYZNYHK-BMLIUANNSA-N	-1	3	435.387	5.221	50	10		IKCAHM
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000004132904	568781252	/nfs/dbraw/zinc/78/12/52/568781252.db2.gz	QTFBGSKBYZNYHK-DYZYQPBXSA-N	-1	3	435.387	5.221	50	10		IKCAHM
[O-]c1ccccc1C1=NN(c2nc(-c3cccc(Cl)c3)cs2)[C@H](c2ccccc2)C1	ZINC000085404547	568817684	/nfs/dbraw/zinc/81/76/84/568817684.db2.gz	LICXIRHFAUCPNO-QFIPXVFZSA-N	-1	3	431.948	6.525	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccccc2)N3)cc1	ZINC000001461924	568819892	/nfs/dbraw/zinc/81/98/92/568819892.db2.gz	ODRSFGKEBWMYOS-TZBSWOFLSA-N	-1	3	432.545	5.323	50	10		IKCAHM
CCOc1ccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc1OC	ZINC000035111472	568820609	/nfs/dbraw/zinc/82/06/09/568820609.db2.gz	IDCXHNCSAXMZOH-XMMPIXPASA-N	-1	3	429.520	5.561	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2F)N3)c(C)c1	ZINC000035110890	568820635	/nfs/dbraw/zinc/82/06/35/568820635.db2.gz	GXQQCRJNMBUKQF-XMERXJNXSA-N	-1	3	448.563	6.070	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363098	568866394	/nfs/dbraw/zinc/86/63/94/568866394.db2.gz	SVOZOXLFQNSOAE-ISKFKSNPSA-N	-1	3	441.358	6.320	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000053362949	568866400	/nfs/dbraw/zinc/86/64/00/568866400.db2.gz	UJKSUESWRWBMQY-FYYLOGMGSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053362944	568866427	/nfs/dbraw/zinc/86/64/27/568866427.db2.gz	IPRWOGKLDASVPD-GGAORHGYSA-N	-1	3	427.331	5.930	50	10		IKCAHM
[O-]c1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2cccc(Br)c2)N1	ZINC000053363578	568866774	/nfs/dbraw/zinc/86/67/74/568866774.db2.gz	AVSFUACDDLSCDE-IRLDBZIGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3cccnc3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053364891	568867006	/nfs/dbraw/zinc/86/70/06/568867006.db2.gz	FKXBSPNSQDPGIL-GMAHTHKFSA-N	-1	3	436.353	5.335	50	10		IKCAHM
COc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364859	568867012	/nfs/dbraw/zinc/86/70/12/568867012.db2.gz	OACJIYZHCYNRCN-JTHBVZDNSA-N	-1	3	427.331	5.930	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364874	568867022	/nfs/dbraw/zinc/86/70/22/568867022.db2.gz	JGVXUDRJFBAANG-LADGPHEKSA-N	-1	3	441.358	6.320	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=N[C@@H](c2ccc(Br)cc2)N1	ZINC000053364685	568867154	/nfs/dbraw/zinc/86/71/54/568867154.db2.gz	QSHJXGBTSBRZKH-RBBKRZOGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2cccc(Cl)c2)=N[C@H](c2ccc(Br)cc2)N1	ZINC000053364692	568867156	/nfs/dbraw/zinc/86/71/56/568867156.db2.gz	QSHJXGBTSBRZKH-UNMCSNQZSA-N	-1	3	441.756	6.031	50	10		IKCAHM
CCCCN(C)Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc21	ZINC000001770992	568906072	/nfs/dbraw/zinc/90/60/72/568906072.db2.gz	DDDLJALEPPQOIV-UHFFFAOYSA-N	-1	3	439.861	6.070	50	10	biogenic	IKCAHM
CCCOC(=O)c1ccc(Oc2c(C)oc3c(ccc([O-])c3CN(CC)CC)c2=O)cc1	ZINC000001873774	568917165	/nfs/dbraw/zinc/91/71/65/568917165.db2.gz	QNFNYEMAXLJBMX-UHFFFAOYSA-N	-1	3	439.508	5.008	50	10	biogenic	IKCAHM
CCOC(=O)c1c(C)oc2c1c(CN1CCN(c3ccccc3)CC1)c([O-])c1ccccc21	ZINC000054114208	568920374	/nfs/dbraw/zinc/92/03/74/568920374.db2.gz	KVXIGPHKXCBPEY-UHFFFAOYSA-N	-1	3	444.531	5.099	50	10		IKCAHM
CCOc1cc(/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc(Cl)c1[O-]	ZINC000013914508	569157306	/nfs/dbraw/zinc/15/73/06/569157306.db2.gz	KQQQWAGPPDBVJD-NVNXTCNLSA-N	-1	3	435.705	5.013	50	10		IKCAHM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N2	ZINC000014165989	569157926	/nfs/dbraw/zinc/15/79/26/569157926.db2.gz	KNZZMGPKEJZTCU-BVFVYWQFSA-N	-1	3	448.563	6.070	50	10		IKCAHM
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3[O-])C2=O)cc1Br	ZINC000027519465	569217858	/nfs/dbraw/zinc/21/78/58/569217858.db2.gz	PPBAOGAVTSUPMQ-QGOAFFKASA-N	-1	3	448.316	5.635	50	10		IKCAHM
COc1cc2c(cc1OC)CN(Cc1c3c(C(=O)c4ccsc4)coc3ccc1[O-])CC2	ZINC000253401219	569265009	/nfs/dbraw/zinc/26/50/09/569265009.db2.gz	FKZVXOWAYHYOSN-UHFFFAOYSA-N	-1	3	449.528	5.006	50	10	biogenic	IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC(C)CC2)c1[O-]	ZINC000009007803	569293014	/nfs/dbraw/zinc/29/30/14/569293014.db2.gz	RWDGAMWASPIMGS-UHFFFAOYSA-N	-1	3	434.561	5.570	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCC[C@@H](C)C2)c1[O-]	ZINC000009233516	569294720	/nfs/dbraw/zinc/29/47/20/569294720.db2.gz	GPGRJNRGDXNHRD-OAHLLOKOSA-N	-1	3	434.561	5.570	50	10		IKCAHM
Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(CN4CCCC4)c3oc2C(F)(F)F)c1	ZINC000019793117	569329376	/nfs/dbraw/zinc/32/93/76/569329376.db2.gz	JDFYKGCSEXPONX-UHFFFAOYSA-N	-1	3	433.426	5.522	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1cc(Br)cs1	ZINC000020070684	569333368	/nfs/dbraw/zinc/33/33/68/569333368.db2.gz	DGJYLXISDVTZMJ-OXQOHEQNSA-N	-1	3	427.323	5.459	50	10		IKCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)c1OC	ZINC000020070793	569333387	/nfs/dbraw/zinc/33/33/87/569333387.db2.gz	WKAVKZMULJNSGK-CYFREDJKSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cc(Cl)ccc4[O-])=NN32)cc1OC	ZINC000020070785	569333456	/nfs/dbraw/zinc/33/34/56/569333456.db2.gz	JFOCPAHVCOGNAJ-YADARESESA-N	-1	3	436.895	5.305	50	10		IKCAHM
CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020071045	569333557	/nfs/dbraw/zinc/33/35/57/569333557.db2.gz	WYLSVGATGUUWJC-IBVKSMDESA-N	-1	3	446.503	5.050	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccccc2)N3)cc1	ZINC000226911667	569430139	/nfs/dbraw/zinc/43/01/39/569430139.db2.gz	ODRSFGKEBWMYOS-OTNCWRBYSA-N	-1	3	432.545	5.323	50	10		IKCAHM
[O-]c1c([C@@H](Nc2ccccn2)c2ccccc2OCc2ccccc2)ccc2cccnc21	ZINC000008432521	569464296	/nfs/dbraw/zinc/46/42/96/569464296.db2.gz	RQWRNOPXFUSWKH-MHZLTWQESA-N	-1	3	433.511	6.116	50	10		IKCAHM
O=c1c2cc(N=Nc3ccccc3)ccc2[n-]cc1-c1ncc(C(F)(F)F)cc1Cl	ZINC000008782073	569475794	/nfs/dbraw/zinc/47/57/94/569475794.db2.gz	SQUZEUCHZGNVTJ-ZQHSETAFSA-N	-1	3	428.801	6.678	50	10		IKCAHM
COc1cc(/C=C2/SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(Cl)c1[O-]	ZINC000009232613	569513812	/nfs/dbraw/zinc/51/38/12/569513812.db2.gz	IVEOLFDTVCLXQH-VIZOYTHASA-N	-1	3	442.345	5.122	50	10		IKCAHM
COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000009303301	569521014	/nfs/dbraw/zinc/52/10/14/569521014.db2.gz	MMJRBYXDWXZYOK-HANTZDOSSA-N	-1	3	432.907	5.445	50	10		IKCAHM
COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000009361420	569525885	/nfs/dbraw/zinc/52/58/85/569525885.db2.gz	MMJRBYXDWXZYOK-WYIJSASQSA-N	-1	3	432.907	5.445	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)cc1	ZINC000009541627	569545881	/nfs/dbraw/zinc/54/58/81/569545881.db2.gz	YJQWNAWIZLAILH-ISKFKSNPSA-N	-1	3	435.365	5.940	50	10		IKCAHM
CCc1ccc(C2=N[C@@](C)(CC(C)C)N[C@@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000009542108	569545883	/nfs/dbraw/zinc/54/58/83/569545883.db2.gz	ZSAPBFNUIQHESP-FYYLOGMGSA-N	-1	3	429.402	6.003	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3ccc(F)c(Br)c3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000009542852	569545893	/nfs/dbraw/zinc/54/58/93/569545893.db2.gz	PGMFATWYWNNVNE-JTHBVZDNSA-N	-1	3	439.328	5.825	50	10		IKCAHM
[O-]c1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@@H]2c1ccsc1	ZINC000010215251	569579257	/nfs/dbraw/zinc/57/92/57/569579257.db2.gz	GORQYQJYNCVMMB-FXAWDEMLSA-N	-1	3	427.323	5.459	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(C(=O)OC)cc3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363539	193928000	/nfs/dbraw/zinc/92/80/00/193928000.db2.gz	LMENDBNAIUZLFE-ZCYQVOJMSA-N	-1	3	448.950	5.617	50	10		IKCAHM
CCOc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763260	520932392	/nfs/dbraw/zinc/93/23/92/520932392.db2.gz	QJCVTACPCDMFHR-ISKFKSNPSA-N	-1	3	441.358	6.320	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3ccccc3Cl)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000020763389	523903535	/nfs/dbraw/zinc/90/35/35/523903535.db2.gz	XRJYCWVMCYRRJI-LADGPHEKSA-N	-1	3	425.359	6.484	50	10		IKCAHM
COc1ccccc1[C@@H]1N=C(c2cccc(Br)c2)C[C@@H](c2ccccc2[O-])N1	ZINC000020763763	524760965	/nfs/dbraw/zinc/76/09/65/524760965.db2.gz	UMSSTSXPSLGLKF-NZQKXSOJSA-N	-1	3	437.337	5.386	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@H](c2cccc(Cl)c2)N1	ZINC000020764977	526347105	/nfs/dbraw/zinc/34/71/05/526347105.db2.gz	OYKFIMGHJCAGEJ-XXBNENTESA-N	-1	3	441.314	5.650	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccccc2Cl)N1	ZINC000020763538	526347366	/nfs/dbraw/zinc/34/73/66/526347366.db2.gz	JASVRWHNSBCFKZ-AUSIDOKSSA-N	-1	3	441.314	5.650	50	10		IKCAHM
COc1cc(C(=O)N[C@@H](c2ccccc2)c2c([O-])ccc3ccccc32)cc(OC)c1OC	ZINC000000846836	555569559	/nfs/dbraw/zinc/56/95/59/555569559.db2.gz	DQCPQSBZPWAWPX-VWLOTQADSA-N	-1	3	443.499	5.091	50	10	biogenic,in-vitro	IKCAHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1	ZINC000000944112	555587664	/nfs/dbraw/zinc/58/76/64/555587664.db2.gz	OUOLOFHQNYOJJP-UHFFFAOYSA-N	-1	3	428.560	5.262	50	10		IKCAHM
O=C(N[C@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Br)cc1	ZINC000001782194	555714917	/nfs/dbraw/zinc/71/49/17/555714917.db2.gz	KQKZXJDBKZDKMY-HSZRJFAPSA-N	-1	3	432.317	5.827	50	10		IKCAHM
O=C(N[C@@H](c1ccccc1)c1c([O-])ccc2ccccc21)c1ccc(Br)cc1	ZINC000001782193	555714930	/nfs/dbraw/zinc/71/49/30/555714930.db2.gz	KQKZXJDBKZDKMY-QHCPKHFHSA-N	-1	3	432.317	5.827	50	10		IKCAHM
Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(-c3c(O)ccc4ccccc43)c2)c1C	ZINC000001926283	555725087	/nfs/dbraw/zinc/72/50/87/555725087.db2.gz	XLJJGBLBWCKYGZ-UHFFFAOYSA-N	-1	3	447.556	5.952	50	10		IKCAHM
CCc1cc2c(=O)c(-c3ccc(F)cc3)c(C(F)(F)F)oc2c(CN2CCCCC2)c1[O-]	ZINC000002581668	555788680	/nfs/dbraw/zinc/78/86/80/555788680.db2.gz	HLSVIZFAYYJHSF-UHFFFAOYSA-N	-1	3	449.444	5.872	50	10		IKCAHM
CCCC(=O)N[C@@H](c1ccc(N(CC)CC)cc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000002815448	555828511	/nfs/dbraw/zinc/82/85/11/555828511.db2.gz	WHQCGANOTXJOPB-QFIPXVFZSA-N	-1	3	425.960	5.446	50	10		IKCAHM
COc1cc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2[O-])cc(OC)c1OC	ZINC000004164735	555971286	/nfs/dbraw/zinc/97/12/86/555971286.db2.gz	PKONGJVFAYPTNC-QHCPKHFHSA-N	-1	3	445.519	5.180	50	10	biogenic	IKCAHM
CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])ccc1OC	ZINC000006387305	556086279	/nfs/dbraw/zinc/08/62/79/556086279.db2.gz	DFGDEHMIIPYKSL-XMMPIXPASA-N	-1	3	429.520	5.561	50	10		IKCAHM
O=C(COc1ccccc1)N[C@H](/C=C/c1ccccc1)c1cc(Cl)c2cccnc2c1[O-]	ZINC000006457216	556089372	/nfs/dbraw/zinc/08/93/72/556089372.db2.gz	HPNHVAVMMGWFEQ-YAOQVBECSA-N	-1	3	444.918	5.544	50	10		IKCAHM
CCc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Sc3nc4ccccc4s3)c2)cc1	ZINC000008438973	556174951	/nfs/dbraw/zinc/17/49/51/556174951.db2.gz	DSPCZNWSCLGSTA-UHFFFAOYSA-N	-1	3	442.587	5.516	50	10		IKCAHM
Cc1ccnc(N[C@H](c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2[O-])c1	ZINC000008452688	556183136	/nfs/dbraw/zinc/18/31/36/556183136.db2.gz	YGDWDKVACVMXAO-HHHXNRCGSA-N	-1	3	447.538	6.424	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c(C)c1	ZINC000008454105	556184665	/nfs/dbraw/zinc/18/46/65/556184665.db2.gz	GXQQCRJNMBUKQF-UNVFRBQDSA-N	-1	3	448.563	6.070	50	10		IKCAHM
CC(=O)[N-]C1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc3ccccc32)S1	ZINC000013940594	556337906	/nfs/dbraw/zinc/33/79/06/556337906.db2.gz	SKDXCDDFOFEHCL-MTJSOVHGSA-N	-1	3	436.920	5.179	50	10		IKCAHM
Cc1ccnc(N[C@@H](c2cccc(Br)c2)c2ccc3ccc(C)nc3c2[O-])c1	ZINC000015016654	556485798	/nfs/dbraw/zinc/48/57/98/556485798.db2.gz	PZEUMJUWHZCRJQ-NRFANRHFSA-N	-1	3	434.337	5.916	50	10		IKCAHM
COc1ccc([C@@H](Nc2ccccn2)c2cc(Cl)c3cccnc3c2[O-])cc1[N+](=O)[O-]	ZINC000015016965	556486569	/nfs/dbraw/zinc/48/65/69/556486569.db2.gz	NCUKGVAQQZZNPE-HXUWFJFHSA-N	-1	3	436.855	5.107	50	10		IKCAHM
CCOc1ccccc1N1CCN(Cc2cc(-c3nc4ccccc4s3)ccc2[O-])CC1	ZINC000015071165	556495756	/nfs/dbraw/zinc/49/57/56/556495756.db2.gz	MVHQPVXMTVWLQR-UHFFFAOYSA-N	-1	3	445.588	5.390	50	10		IKCAHM
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000013634613	556540538	/nfs/dbraw/zinc/54/05/38/556540538.db2.gz	KLLKBTDTOANIRJ-FBLLAGFSSA-N	-1	3	432.545	5.323	50	10		IKCAHM
CCOc1cc(Cl)c(Cl)c([C@H]2Nc3sc4c(c3C(=O)N2)CC[C@@H](C)C4)c1[O-]	ZINC000015947817	556568689	/nfs/dbraw/zinc/56/86/89/556568689.db2.gz	GDAVIIMNADPHBO-CQLKUDPESA-N	-1	3	427.353	5.713	50	10		IKCAHM
COc1ccc(C(=O)N[C@@H](c2ccc(C)cc2)c2cc(Cl)c3cccnc3c2[O-])cc1	ZINC000015821574	556575155	/nfs/dbraw/zinc/57/51/55/556575155.db2.gz	MDWNHEVMSYQJKP-QFIPXVFZSA-N	-1	3	432.907	5.430	50	10	biogenic	IKCAHM
[O-]c1ccc(Cl)cc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1ccco1	ZINC000247903616	556617214	/nfs/dbraw/zinc/61/72/14/556617214.db2.gz	LDXBECMGKIJQKC-UZLBHIALSA-N	-1	3	445.700	5.643	50	10		IKCAHM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2c2ccccc2)cc(Cl)c1[O-]	ZINC000013913957	556661807	/nfs/dbraw/zinc/66/18/07/556661807.db2.gz	ADRNTVKDTJUZFE-MOSHPQCFSA-N	-1	3	432.907	5.587	50	10		IKCAHM
COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc(OC)c1OC	ZINC000018190086	556686033	/nfs/dbraw/zinc/68/60/33/556686033.db2.gz	PHJSFZUPVICELW-HSZRJFAPSA-N	-1	3	445.519	5.180	50	10		IKCAHM
COc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2[O-])cc(Cl)c1OC	ZINC000018208675	556686879	/nfs/dbraw/zinc/68/68/79/556686879.db2.gz	BITXZZNWWHVZPE-JOCHJYFZSA-N	-1	3	449.938	5.824	50	10		IKCAHM
[O-]c1c([C@@H](c2ccccn2)N2CCN(c3ccc(F)cc3)CC2)cc(Cl)c2cccnc12	ZINC000019902788	556942275	/nfs/dbraw/zinc/94/22/75/556942275.db2.gz	TZGHJILNBSLQPO-DEOSSOPVSA-N	-1	3	448.929	5.040	50	10		IKCAHM
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@H]3C=CC[C@H]32)c1	ZINC000020033548	556969396	/nfs/dbraw/zinc/96/93/96/556969396.db2.gz	YVIFCSCQCFPNQE-OBTVHEKISA-N	-1	3	444.600	6.239	50	10		IKCAHM
CC(C)(C)c1ccc(N(c2ccccc2)c2ccc3c(c2[O-])C(=O)c2ccccc2C3=O)cc1	ZINC000008386237	557269781	/nfs/dbraw/zinc/26/97/81/557269781.db2.gz	WJZWFLWTNIKLQB-UHFFFAOYSA-N	-1	3	447.534	6.935	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)cc1C	ZINC000107173398	557535151	/nfs/dbraw/zinc/53/51/51/557535151.db2.gz	SHAOQNRSKRYIJH-MVERNJQCSA-N	-1	3	448.563	6.070	50	10		IKCAHM
C[C@@H]1CCC[C@H](C)N1Cc1c([O-])ccc2c1oc(N)c(-c1nc3ccccc3s1)c2=O	ZINC000002199949	562926283	/nfs/dbraw/zinc/92/62/83/562926283.db2.gz	WNYYRVZLSZMJQM-OKILXGFUSA-N	-1	3	435.549	5.120	50	10		IKCAHM
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc32)c1)c1ccc(Cl)cc1	ZINC000002485286	562928155	/nfs/dbraw/zinc/92/81/55/562928155.db2.gz	HRMJMXZVQQTHDA-UHFFFAOYSA-N	-1	3	425.893	5.372	50	10		IKCAHM
Cc1oc2c(ccc([O-])c2CN2CCCC[C@@H]2C)c(=O)c1-c1ccc(Br)cc1	ZINC000009075555	562966926	/nfs/dbraw/zinc/96/69/26/562966926.db2.gz	UTZOOJMZMLLULY-AWEZNQCLSA-N	-1	3	442.353	5.611	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCC(C)CC4)c3oc2C(F)(F)F)cc1	ZINC000019792863	563022984	/nfs/dbraw/zinc/02/29/84/563022984.db2.gz	QLKKWKAXICFEPN-UHFFFAOYSA-N	-1	3	447.453	5.850	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc(Cl)cc2)=N[C@H](c2ccc(Cl)cc2)N1	ZINC000053151162	563141022	/nfs/dbraw/zinc/14/10/22/563141022.db2.gz	XKLPSSJPCWPKBB-IRLDBZIGSA-N	-1	3	431.750	6.575	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000053151161	563141031	/nfs/dbraw/zinc/14/10/31/563141031.db2.gz	XKLPSSJPCWPKBB-RBBKRZOGSA-N	-1	3	431.750	6.575	50	10		IKCAHM
CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2[O-])N3)C1	ZINC000004132901	568781289	/nfs/dbraw/zinc/78/12/89/568781289.db2.gz	QTFBGSKBYZNYHK-BTDLBPIBSA-N	-1	3	435.387	5.221	50	10		IKCAHM
COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccccc2)N3)cc1	ZINC000006088757	568823115	/nfs/dbraw/zinc/82/31/15/568823115.db2.gz	ODRSFGKEBWMYOS-RQTOMXEWSA-N	-1	3	432.545	5.323	50	10		IKCAHM
COc1ccccc1-c1c(=O)c2ccc([O-])c(CN3CCC[C@H](C)C3)c2oc1C(F)(F)F	ZINC000006162688	568849119	/nfs/dbraw/zinc/84/91/19/568849119.db2.gz	VSVRCAWGDWSIPT-AWEZNQCLSA-N	-1	3	447.453	5.425	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N[C@H](c3ccccc3[O-])C2)cc1	ZINC000053362954	568866452	/nfs/dbraw/zinc/86/64/52/568866452.db2.gz	UJKSUESWRWBMQY-GMAHTHKFSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COc1ccccc1[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000053363280	568866564	/nfs/dbraw/zinc/86/65/64/568866564.db2.gz	BCQGOQYNAFJDPU-NTKDMRAZSA-N	-1	3	436.895	5.005	50	10		IKCAHM
CCc1ccc(C2=N[C@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053363183	568866568	/nfs/dbraw/zinc/86/65/68/568866568.db2.gz	HCKVEGAHKPBXTO-VWNXMTODSA-N	-1	3	425.359	6.484	50	10		IKCAHM
COc1cccc(C2=N[C@@H](c3ccc(Cl)cc3)N[C@@H](c3cc(Cl)ccc3[O-])C2)c1	ZINC000053363334	568866633	/nfs/dbraw/zinc/86/66/33/568866633.db2.gz	NFHPFWJZHOBQBV-FYYLOGMGSA-N	-1	3	427.331	5.930	50	10		IKCAHM
[O-]c1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=N[C@@H](c2ccc(Br)cc2)N1	ZINC000053363470	568866636	/nfs/dbraw/zinc/86/66/36/568866636.db2.gz	UBRBQWJWTXYKPE-RBBKRZOGSA-N	-1	3	441.756	6.031	50	10		IKCAHM
COc1cccc(C2=N[C@H](c3ccc(Br)cc3)N[C@@H](c3ccccc3[O-])C2)c1	ZINC000053363344	568866684	/nfs/dbraw/zinc/86/66/84/568866684.db2.gz	KSGPNRNCZNNXLW-GGAORHGYSA-N	-1	3	437.337	5.386	50	10		IKCAHM
COC(=O)c1ccc([C@H]2N=C(c3ccc(C)cc3)C[C@H](c3cc(Cl)ccc3[O-])N2)cc1	ZINC000053364658	568866881	/nfs/dbraw/zinc/86/68/81/568866881.db2.gz	MNMDESKCUPUODS-VWNXMTODSA-N	-1	3	434.923	5.363	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3cccc(F)c3)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053364997	568866984	/nfs/dbraw/zinc/86/69/84/568866984.db2.gz	ZMWXTZUJNUJDKV-JTHBVZDNSA-N	-1	3	439.328	5.825	50	10		IKCAHM
CCc1ccc(C2=N[C@@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364741	568867052	/nfs/dbraw/zinc/86/70/52/568867052.db2.gz	HNLRLWZOJZIQBX-LADGPHEKSA-N	-1	3	425.359	6.484	50	10		IKCAHM
Cc1ccc(C2=N[C@H](c3ccccc3C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365034	568867062	/nfs/dbraw/zinc/86/70/62/568867062.db2.gz	PKJRZZKFEPOWLG-UPVQGACJSA-N	-1	3	435.365	5.994	50	10		IKCAHM
COc1ccc(C2=N[C@H](c3cccc(Cl)c3)N[C@H](c3cc(Cl)ccc3[O-])C2)cc1	ZINC000053364869	568867097	/nfs/dbraw/zinc/86/70/97/568867097.db2.gz	OACJIYZHCYNRCN-GMAHTHKFSA-N	-1	3	427.331	5.930	50	10		IKCAHM
Cc1ccc(C2=N[C@@H](c3ccccc3C)N[C@H](c3cc(Br)ccc3[O-])C2)cc1	ZINC000053365030	568867111	/nfs/dbraw/zinc/86/71/11/568867111.db2.gz	PKJRZZKFEPOWLG-LADGPHEKSA-N	-1	3	435.365	5.994	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@@H](c2ccc(F)cc2)N3)cc1C	ZINC000226897595	568885503	/nfs/dbraw/zinc/88/55/03/568885503.db2.gz	SHAOQNRSKRYIJH-JQYIIUTOSA-N	-1	3	448.563	6.070	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC(C)(C)C2)c1[O-]	ZINC000001794013	568908216	/nfs/dbraw/zinc/90/82/16/568908216.db2.gz	KPEBBTIKYOWPML-UHFFFAOYSA-N	-1	3	448.588	5.960	50	10		IKCAHM
O=c1oc2c(ccc([O-])c2CN(Cc2ccccc2)Cc2ccccc2)c2c1CCCC2	ZINC000054219859	568926977	/nfs/dbraw/zinc/92/69/77/568926977.db2.gz	DYIRXYJSZROQEG-UHFFFAOYSA-N	-1	3	425.528	5.580	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccccc2)=NC2(CCN(Cc3ccccc3)CC2)N1	ZINC000065297958	569131802	/nfs/dbraw/zinc/13/18/02/569131802.db2.gz	RUWLSNDCEBHWGG-VWLOTQADSA-N	-1	3	445.994	5.562	50	10	biogenic	IKCAHM
CC(=O)N1N=C(c2ccccc2[O-])C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1	ZINC000089677974	569161271	/nfs/dbraw/zinc/16/12/71/569161271.db2.gz	VNTGDQIZCUIUDE-RUZDIDTESA-N	-1	3	436.515	5.251	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCC[C@H]2CC)c1[O-]	ZINC000002201168	569192370	/nfs/dbraw/zinc/19/23/70/569192370.db2.gz	VCRHLVZKHTUHEI-QGZVFWFLSA-N	-1	3	448.588	6.102	50	10		IKCAHM
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4cc(C)ccc4C)cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000037613797	569203050	/nfs/dbraw/zinc/20/30/50/569203050.db2.gz	YVIFCSCQCFPNQE-KHVXQDHOSA-N	-1	3	444.600	6.239	50	10		IKCAHM
CCN(CC)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C)oc21	ZINC000002404611	569299990	/nfs/dbraw/zinc/29/99/90/569299990.db2.gz	RIPNCCIRSCZKNR-UHFFFAOYSA-N	-1	3	432.314	5.204	50	10		IKCAHM
C[C@H]1CCCCN1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)coc21	ZINC000002411950	569301075	/nfs/dbraw/zinc/30/10/75/569301075.db2.gz	AUOVCKQFQWRSAA-AWEZNQCLSA-N	-1	3	444.325	5.428	50	10		IKCAHM
CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCC[C@@H](C)C2)c1[O-]	ZINC000011869508	569303114	/nfs/dbraw/zinc/30/31/14/569303114.db2.gz	NYPMOHTYSGSIJQ-MRXNPFEDSA-N	-1	3	445.563	5.155	50	10		IKCAHM
Cc1cccc(Oc2c(=O)c3ccc([O-])c(CN4CCC[C@H](C)C4)c3oc2C(F)(F)F)c1	ZINC000019793076	569329406	/nfs/dbraw/zinc/32/94/06/569329406.db2.gz	ZWRRQCIOXZGFSS-HNNXBMFYSA-N	-1	3	447.453	5.850	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCC[C@H](C)C4)c3oc2C(F)(F)F)cc1	ZINC000019793086	569329409	/nfs/dbraw/zinc/32/94/09/569329409.db2.gz	GSIMDTOMEUREDL-HNNXBMFYSA-N	-1	3	447.453	5.850	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCCCC4)c3oc2C(F)(F)F)cc1C	ZINC000019793917	569329439	/nfs/dbraw/zinc/32/94/39/569329439.db2.gz	VVKPVCCSXUXPJL-UHFFFAOYSA-N	-1	3	447.453	5.912	50	10		IKCAHM
Cc1ccc(Oc2c(=O)c3ccc([O-])c(CN4CCC[C@@H](C)C4)c3oc2C(F)(F)F)cc1	ZINC000019793085	569329456	/nfs/dbraw/zinc/32/94/56/569329456.db2.gz	GSIMDTOMEUREDL-OAHLLOKOSA-N	-1	3	447.453	5.850	50	10		IKCAHM
COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)cc1OC	ZINC000020070707	569333344	/nfs/dbraw/zinc/33/33/44/569333344.db2.gz	GGBCREULTAGHTC-NTKDMRAZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cc(Cl)ccc4[O-])=NN32)c1OC	ZINC000020070798	569333441	/nfs/dbraw/zinc/33/34/41/569333441.db2.gz	WKAVKZMULJNSGK-DVECYGJZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4[O-])=NN32)c1OC	ZINC000020070718	569333448	/nfs/dbraw/zinc/33/34/48/569333448.db2.gz	IGIKCDMWPFJRJZ-NTKDMRAZSA-N	-1	3	436.895	5.305	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@@H]1CC(c2ccc(Br)cc2)=N[C@H](c2ccsc2)N1	ZINC000058083459	569446903	/nfs/dbraw/zinc/44/69/03/569446903.db2.gz	BQIOANBRHPLXOB-ICSRJNTNSA-N	-1	3	447.785	6.092	50	10		IKCAHM
[O-]c1ccc(Cl)cc1[C@H]1CC(c2ccc3c(c2)OCO3)=N[C@@H](c2ccc(Cl)cc2)N1	ZINC000058136153	569448410	/nfs/dbraw/zinc/44/84/10/569448410.db2.gz	KDBKOIIDRVUBRI-AUSIDOKSSA-N	-1	3	441.314	5.650	50	10		IKCAHM
COc1cccc([C@@H]2Nc3ccc(S(=O)(=O)[N-]c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000004149984	569460473	/nfs/dbraw/zinc/46/04/73/569460473.db2.gz	QUBLTLNFWVSHCQ-SLSDLSHTSA-N	-1	3	432.545	5.323	50	10		IKCAHM
Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1C	ZINC000008606731	569469352	/nfs/dbraw/zinc/46/93/52/569469352.db2.gz	SHAOQNRSKRYIJH-UMFSSWHCSA-N	-1	3	448.563	6.070	50	10		IKCAHM
CCOC(=O)c1ccc(NC(=O)c2[n-]cnc2N=Nc2c(O)ccc3ccccc32)cc1	ZINC000008695030	569470239	/nfs/dbraw/zinc/47/02/39/569470239.db2.gz	PPSPYHDJQJRPBN-BYYHNAKLSA-N	-1	3	429.436	5.113	50	10		IKCAHM
CCOC(=O)c1ccc(NC(=O)c2nc[n-]c2N=Nc2c(O)ccc3ccccc32)cc1	ZINC000008695030	569470240	/nfs/dbraw/zinc/47/02/40/569470240.db2.gz	PPSPYHDJQJRPBN-BYYHNAKLSA-N	-1	3	429.436	5.113	50	10		IKCAHM
COc1ccc(N=Nc2c([O-])c3c(C)oc(C)c3c(=O)cc2-c2ccc(OC)cc2)cc1	ZINC000008817912	569476961	/nfs/dbraw/zinc/47/69/61/569476961.db2.gz	MNVIPWXXVMNMRX-CYYJNZCTSA-N	-1	3	430.460	6.215	50	10		IKCAHM
Cc1cc(O)c(Sc2nc3ccccc3s2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000008870313	569480594	/nfs/dbraw/zinc/48/05/94/569480594.db2.gz	FVYYZQALEFDYMJ-UHFFFAOYSA-N	-1	3	428.560	5.262	50	10		IKCAHM
O=[N+]([O-])c1cccc(-c2csc(N3N=C(c4ccccc4[O-])C[C@@H]3c3ccccc3)n2)c1	ZINC000039932480	569482038	/nfs/dbraw/zinc/48/20/38/569482038.db2.gz	WPVZJEKCFRWBPQ-JOCHJYFZSA-N	-1	3	442.500	5.780	50	10		IKCAHM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(OC)c2[O-])N3)C1	ZINC000008919868	569486473	/nfs/dbraw/zinc/48/64/73/569486473.db2.gz	DNRNWSQLRCAIST-JEOXALJRSA-N	-1	3	434.989	6.086	50	10		IKCAHM
COc1ccc([C@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)/C=C/c2ccccc2)cc1	ZINC000009159465	569508588	/nfs/dbraw/zinc/50/85/88/569508588.db2.gz	JTCVDNFSZVKVGA-FGQUTTIRSA-N	-1	3	448.522	5.945	50	10		IKCAHM
Cc1ccc(C(=O)N2N=C(c3ccccc3[O-])C[C@H]2c2ccc(Br)cc2)cc1	ZINC000009192397	569510793	/nfs/dbraw/zinc/51/07/93/569510793.db2.gz	XOTOGPQEHVVJLC-NRFANRHFSA-N	-1	3	435.321	5.455	50	10		IKCAHM
COc1ccc([C@@H]2CC(c3ccc4ccccc4c3[O-])=NN2C(=O)c2ccc(C)cc2)cc1	ZINC000009328863	569522859	/nfs/dbraw/zinc/52/28/59/569522859.db2.gz	QMIWHIWIOBMTSK-SANMLTNESA-N	-1	3	436.511	5.854	50	10		IKCAHM
CCOc1cccc2c1O[C@H](c1ccsc1)N1N=C(c3cc(Cl)ccc3[O-])C[C@H]21	ZINC000010216024	569579236	/nfs/dbraw/zinc/57/92/36/569579236.db2.gz	LPDDLBIBEDCDEM-XMSQKQJNSA-N	-1	3	426.925	5.748	50	10		IKCAHM