smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000051364655	193926755	/nfs/dbraw/zinc/92/67/55/193926755.db2.gz	ABIROKYSYCPCRT-MLJKTZRHSA-N	-1	0	441.452	5.030	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(C)cc3)C2=O)cc1	ZINC000009427579	132234344	/nfs/dbraw/zinc/23/43/44/132234344.db2.gz	OUWSMSPRNUFWFI-VKINRBECSA-N	-1	0	441.531	5.025	50	10		IKCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c2ccccc21	ZINC000002397147	132253732	/nfs/dbraw/zinc/25/37/32/132253732.db2.gz	JDUMASRULRUNTO-LICLKQGHSA-N	-1	0	443.450	5.352	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CC=C[C@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008443283	132282121	/nfs/dbraw/zinc/28/21/21/132282121.db2.gz	LWUPMVGMGQEQBX-UKFDBNNRSA-N	-1	0	448.360	6.042	50	10		IKCARM
Cc1ccc(Sc2ccc(/C=C3\C(=O)[N-]C(=O)N(c4cc(C)cc(C)c4)C3=O)o2)cc1	ZINC000013896414	132355402	/nfs/dbraw/zinc/35/54/02/132355402.db2.gz	LCKDJEXJXTZHAP-DEDYPNTBSA-N	-1	0	432.501	5.022	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2Cl)o1	ZINC000013894144	132355445	/nfs/dbraw/zinc/35/54/45/132355445.db2.gz	CNAAFGVJKQFDFG-LFIBNONCSA-N	-1	0	427.243	5.760	50	10		IKCARM
COc1ccc(-c2coc3c(ccc([O-])c3CN3CCCC[C@H]3c3cccnc3)c2=O)cc1	ZINC000020763293	523156776	/nfs/dbraw/zinc/15/67/76/523156776.db2.gz	JTNLVTMXXQGKRE-DEOSSOPVSA-N	-1	0	442.515	5.296	50	10	biogenic	IKCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1	ZINC000012285134	524534485	/nfs/dbraw/zinc/53/44/85/524534485.db2.gz	UVWPGNLBZXHGLX-PDGQHHTCSA-N	-1	0	438.892	5.059	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21	ZINC000012375670	526343665	/nfs/dbraw/zinc/34/36/65/526343665.db2.gz	FSJSKGPHUKTDIJ-BWACUDIHSA-N	-1	0	438.243	5.993	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1	ZINC000001128726	527047543	/nfs/dbraw/zinc/04/75/43/527047543.db2.gz	MVDAJMCVDFLUCS-XSFVSMFZSA-N	-1	0	434.904	5.158	50	10		IKCARM
O=C([O-])CCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)s2)SC1=S	ZINC000012823224	527582413	/nfs/dbraw/zinc/58/24/13/527582413.db2.gz	MZYJMSSPWMLYOS-LFIBNONCSA-N	-1	0	437.995	5.525	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	ZINC000009076596	536020895	/nfs/dbraw/zinc/02/08/95/536020895.db2.gz	HMELNVRBDFFHHJ-SVTVQYSDSA-N	-1	0	441.531	5.274	50	10		IKCARM
O=C(N[C@@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000002488184	555783978	/nfs/dbraw/zinc/78/39/78/555783978.db2.gz	IQFVNDZPBHFOQT-ARKBFRDHSA-N	-1	0	431.492	5.300	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)cc1	ZINC000002919066	555863145	/nfs/dbraw/zinc/86/31/45/555863145.db2.gz	JTUBMHKRCOLSBH-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000002934416	555864470	/nfs/dbraw/zinc/86/44/70/555864470.db2.gz	GBZWJTSHYITMOY-DHDCSXOGSA-N	-1	0	442.345	5.319	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3/SC(=S)N(C4CCCCC4)C3=O)o2)ccc1Cl	ZINC000002989900	555874933	/nfs/dbraw/zinc/87/49/33/555874933.db2.gz	JIDGMEIDOSXHDA-WOJGMQOQSA-N	-1	0	447.965	5.832	50	10		IKCARM
CCCCN(CCCC)c1ccc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1	ZINC000003994863	555952562	/nfs/dbraw/zinc/95/25/62/555952562.db2.gz	RADFYAVRXHDMCO-MNDPQUGUSA-N	-1	0	434.627	5.159	50	10		IKCARM
CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2cccc(C(=O)[O-])c2)C(=O)C1	ZINC000002561610	556111227	/nfs/dbraw/zinc/11/12/27/556111227.db2.gz	LEBGLVOMHWPIRF-UHFFFAOYSA-N	-1	0	438.321	5.760	50	10		IKCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)cc1	ZINC000002914346	556148700	/nfs/dbraw/zinc/14/87/00/556148700.db2.gz	QYPQWTWKHXMJRR-UNOMPAQXSA-N	-1	0	437.498	5.059	50	10		IKCARM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S	ZINC000008765660	556212328	/nfs/dbraw/zinc/21/23/28/556212328.db2.gz	FACDRFNHXYRDMQ-SDXDJHTJSA-N	-1	0	440.030	6.137	50	10		IKCARM
Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)[N-]C(=O)NC3=O)c2-c2ccccc2)cc1	ZINC000008914477	556232134	/nfs/dbraw/zinc/23/21/34/556232134.db2.gz	FZBALDFZNFGWAE-UHFFFAOYSA-N	-1	0	447.494	5.709	50	10		IKCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3Cl)cc1)C2=O	ZINC000009202111	556257725	/nfs/dbraw/zinc/25/77/25/556257725.db2.gz	ONBWJGTYGLXLIH-UHFFFAOYSA-N	-1	0	428.227	5.285	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2c(Cl)cccc2Cl)c1	ZINC000013940694	556337928	/nfs/dbraw/zinc/33/79/28/556337928.db2.gz	MDATXUDGEVVEJN-AQTBWJFISA-N	-1	0	439.298	5.034	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	ZINC000015013179	556484042	/nfs/dbraw/zinc/48/40/42/556484042.db2.gz	BNTARNHDZXEHHY-LICLKQGHSA-N	-1	0	443.242	5.049	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000013343561	556502715	/nfs/dbraw/zinc/50/27/15/556502715.db2.gz	YGLUYWUCUITNSZ-OQLLNIDSSA-N	-1	0	442.345	5.319	50	10		IKCARM
Cc1ccccc1[C@H]1c2ccccc2OC(c2ccccc2)=C1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000017017149	556653413	/nfs/dbraw/zinc/65/34/13/556653413.db2.gz	MAYYSCSVTBKIDJ-QHCPKHFHSA-N	-1	0	436.467	5.063	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000001302581	556770487	/nfs/dbraw/zinc/77/04/87/556770487.db2.gz	ICEQMRLARYPMNR-PXLXIMEGSA-N	-1	0	437.524	5.361	50	10		IKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000059267079	556796677	/nfs/dbraw/zinc/79/66/77/556796677.db2.gz	UJBODOYKWBPKKC-REHUZNOOSA-N	-1	0	431.919	6.444	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccc1	ZINC000033332810	557117860	/nfs/dbraw/zinc/11/78/60/557117860.db2.gz	DBHQRLUKJNFCPL-MOSHPQCFSA-N	-1	0	435.936	5.419	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033333070	557117955	/nfs/dbraw/zinc/11/79/55/557117955.db2.gz	GIIFPYPOEZBSON-BKUYFWCQSA-N	-1	0	433.508	5.213	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000033343265	557121801	/nfs/dbraw/zinc/12/18/01/557121801.db2.gz	XTKKHEKAHJHCMP-XKZIYDEJSA-N	-1	0	431.467	5.357	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@H]21	ZINC000016400857	557151291	/nfs/dbraw/zinc/15/12/91/557151291.db2.gz	FSJSKGPHUKTDIJ-JKDFXYPNSA-N	-1	0	438.243	5.993	50	10		IKCARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1	ZINC000101114211	557256671	/nfs/dbraw/zinc/25/66/71/557256671.db2.gz	NXVMSMNOTHUIBK-MHWRWJLKSA-N	-1	0	444.347	5.539	50	10		IKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000101148485	557262272	/nfs/dbraw/zinc/26/22/72/557262272.db2.gz	ZXCCYUPNRNADGV-MDWZMJQESA-N	-1	0	425.659	5.274	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4nc5ccccc5s4)c3=O)n2)cc1	ZINC000100506441	557262674	/nfs/dbraw/zinc/26/26/74/557262674.db2.gz	OSIPDQYFTNUHSJ-GEJZQBIKSA-N	-1	0	448.533	5.303	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000027496948	557262827	/nfs/dbraw/zinc/26/28/27/557262827.db2.gz	HLQXXDXFEOAFAB-GEJZQBIKSA-N	-1	0	432.534	5.603	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1	ZINC000100510792	557263071	/nfs/dbraw/zinc/26/30/71/557263071.db2.gz	SQYJYIHTOCYRNH-IUBFCHALSA-N	-1	0	425.901	5.347	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000100524773	557263409	/nfs/dbraw/zinc/26/34/09/557263409.db2.gz	WLAXUCGCHMJPOO-GSWFEHRJSA-N	-1	0	430.320	5.992	50	10		IKCARM
Oc1ccccc1C1=NN2[C@@H](C1)c1cc(Br)ccc1O[C@H]2c1ccsc1	ZINC000102005937	557311930	/nfs/dbraw/zinc/31/19/30/557311930.db2.gz	GORQYQJYNCVMMB-PXNSSMCTSA-N	-1	0	427.323	5.459	50	10		IKCARM
CCOc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(C4CCCCC4)C3=O)c2C)cc1	ZINC000033333305	557333508	/nfs/dbraw/zinc/33/35/08/557333508.db2.gz	OUZRCHDDDLSHHV-JCMHNJIXSA-N	-1	0	435.524	5.128	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000100147494	557335049	/nfs/dbraw/zinc/33/50/49/557335049.db2.gz	NMIUSRFVQQDAHM-GZTJUZNOSA-N	-1	0	441.270	5.758	50	10		IKCARM
CCCOc1ccc2ccccc2c1C=C1C(=O)[N-]C(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000016156481	557471689	/nfs/dbraw/zinc/47/16/89/557471689.db2.gz	TYGVHYCUCBOMAL-XSFVSMFZSA-N	-1	0	445.431	5.044	50	10		IKCARM
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@H]2[C@H](c2ccc(C)cc2)N3)cc1	ZINC000107174490	557535154	/nfs/dbraw/zinc/53/51/54/557535154.db2.gz	IBIOMFGDGXSFOT-PLXFJCCSSA-N	-1	0	446.572	5.631	50	10		IKCARM
CCCCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccccc3)c1=O)CCCC2	ZINC000044827073	557537498	/nfs/dbraw/zinc/53/74/98/557537498.db2.gz	JZMNIMODSJNYRH-XDJHFCHBSA-N	-1	0	437.565	5.302	50	10		IKCARM
O=C([O-])c1ccccc1Nc1cc(N2CCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000002457271	562928009	/nfs/dbraw/zinc/92/80/09/562928009.db2.gz	SFTXWTFOFQQZCN-UHFFFAOYSA-N	-1	0	425.444	5.081	50	10		IKCARM
CC(C)c1ccc(S(=O)(=O)Nc2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008870776	562965509	/nfs/dbraw/zinc/96/55/09/562965509.db2.gz	YBKBVLMPQAVQBO-UHFFFAOYSA-N	-1	0	445.562	5.036	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3\C=C(c4ccc(Cl)cc4)OC3=O)o2)ccc1Cl	ZINC000009310892	562969223	/nfs/dbraw/zinc/96/92/23/562969223.db2.gz	FIKIFWWGHOWYTK-NTEUORMPSA-N	-1	0	427.239	5.933	50	10		IKCARM
O=C(N[C@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000001133556	568662019	/nfs/dbraw/zinc/66/20/19/568662019.db2.gz	RTRGJVZFNYOBAE-HXUWFJFHSA-N	-1	0	439.899	5.288	50	10		IKCARM
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O	ZINC000211090306	568708509	/nfs/dbraw/zinc/70/85/09/568708509.db2.gz	CAROCMWTLOMZHN-BUVRLJJBSA-N	-1	0	443.595	5.223	50	10		IKCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c(C)c1	ZINC000032099451	568780664	/nfs/dbraw/zinc/78/06/64/568780664.db2.gz	SIMACHJDYQGSOX-BOPFTXTBSA-N	-1	0	427.287	5.332	50	10		IKCARM
Cc1ccc(C(=O)c2cc(Br)ccc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1	ZINC000001514080	568839366	/nfs/dbraw/zinc/83/93/66/568839366.db2.gz	BDAHWNSEKFGCHV-UHFFFAOYSA-N	-1	0	444.350	5.098	50	10		IKCARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000006997642	569116674	/nfs/dbraw/zinc/11/66/74/569116674.db2.gz	OYRXVTUFDMASED-YBEGLDIGSA-N	-1	0	433.678	5.368	50	10		IKCARM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCC[C@@H]2c2cccnc2)c1=O	ZINC000036585267	569119937	/nfs/dbraw/zinc/11/99/37/569119937.db2.gz	FFMSSMKSIPJQKG-HSZRJFAPSA-N	-1	0	442.515	5.296	50	10		IKCARM
CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)[O-])s2)cc1	ZINC000008984404	569174766	/nfs/dbraw/zinc/17/47/66/569174766.db2.gz	ZUAVCBABCIORKV-UHFFFAOYSA-N	-1	0	430.529	5.963	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21	ZINC000002873695	569177591	/nfs/dbraw/zinc/17/75/91/569177591.db2.gz	FSJSKGPHUKTDIJ-PEBVRCNWSA-N	-1	0	438.243	5.993	50	10		IKCARM
CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(OC)cc4)cs3)c2=O)cc1	ZINC000252462877	569184813	/nfs/dbraw/zinc/18/48/13/569184813.db2.gz	WZFUEROMQKJSQP-FQEVSTJZSA-N	-1	0	435.509	5.092	50	10		IKCARM
COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000248183469	569270670	/nfs/dbraw/zinc/27/06/70/569270670.db2.gz	FZQZREQQVSMDCE-REWPJTCUSA-N	-1	0	441.314	5.950	50	10		IKCARM
C[C@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000002442277	569304287	/nfs/dbraw/zinc/30/42/87/569304287.db2.gz	WNFKCNDBNWAEIQ-GXDFBKAQSA-N	-1	0	449.510	5.117	50	10		IKCARM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N([C@H](C)c3ccccc3)C2=O)o1	ZINC000020238469	569357475	/nfs/dbraw/zinc/35/74/75/569357475.db2.gz	SDSPCQIJGZJSFK-CTFRJJSNSA-N	-1	0	445.431	5.227	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(SCc2ccc(Cl)cc2)o1	ZINC000020324514	569360416	/nfs/dbraw/zinc/36/04/16/569360416.db2.gz	ZQPSKHMTRKGMEF-PDGQHHTCSA-N	-1	0	438.892	5.732	50	10		IKCARM
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccc(Cl)c(Cl)c1	ZINC000095471564	569372021	/nfs/dbraw/zinc/37/20/21/569372021.db2.gz	PDYCASABBAQBLW-ZROIWOOFSA-N	-1	0	425.113	5.474	50	10		IKCARM
CC(C)n1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cn1	ZINC000095473148	569372295	/nfs/dbraw/zinc/37/22/95/569372295.db2.gz	AMBCLWQNZXUZIU-UHFFFAOYSA-N	-1	0	433.468	5.007	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(Cl)cc1Cl	ZINC000095474102	569372456	/nfs/dbraw/zinc/37/24/56/569372456.db2.gz	ZAORGYSPHBACLN-UHFFFAOYSA-N	-1	0	444.274	6.002	50	10		IKCARM
O=c1[nH]n(C2CCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(F)c(F)c3)c12	ZINC000095475959	569372902	/nfs/dbraw/zinc/37/29/02/569372902.db2.gz	BINIDUULERWDJR-UHFFFAOYSA-N	-1	0	437.402	5.508	50	10		IKCARM
Cn1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cn1	ZINC000095477124	569373191	/nfs/dbraw/zinc/37/31/91/569373191.db2.gz	OTCLKRWGASKKPS-UHFFFAOYSA-N	-1	0	447.495	5.133	50	10		IKCARM
O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccnc3)c12	ZINC000095479510	569373842	/nfs/dbraw/zinc/37/38/42/569373842.db2.gz	JXXPODPVNJHWQR-UHFFFAOYSA-N	-1	0	430.464	5.405	50	10		IKCARM
O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccc(O)c3)c12	ZINC000095480894	569374086	/nfs/dbraw/zinc/37/40/86/569374086.db2.gz	QPOQRMNUFWIFIQ-UHFFFAOYSA-N	-1	0	445.475	5.715	50	10		IKCARM
O=C([O-])CCCCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S	ZINC000004136162	569460332	/nfs/dbraw/zinc/46/03/32/569460332.db2.gz	MDQAAYABMGVSER-HKWRFOASSA-N	-1	0	441.574	5.112	50	10		IKCARM
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1	ZINC000008818998	569477009	/nfs/dbraw/zinc/47/70/09/569477009.db2.gz	CPAAFOKBILMYMB-UMSHPIDHSA-N	-1	0	435.526	5.282	50	10		IKCARM
O=S(=O)([N-]c1cc(-c2c(O)ccc3ccccc32)c(O)c2ccccc12)c1cccs1	ZINC000008857555	569479857	/nfs/dbraw/zinc/47/98/57/569479857.db2.gz	FNQYEJPMKIHQSV-UHFFFAOYSA-N	-1	0	447.537	5.934	50	10		IKCARM
O=C([O-])c1cc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)ccc1Cl	ZINC000008872218	569480873	/nfs/dbraw/zinc/48/08/73/569480873.db2.gz	FZKKLDBGEDHOGS-SFQUDFHCSA-N	-1	0	446.846	5.418	50	10		IKCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21	ZINC000001237466	132240651	/nfs/dbraw/zinc/24/06/51/132240651.db2.gz	PQJDCSYJFPQWSC-XSFVSMFZSA-N	-1	0	425.513	5.486	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(F)cc1	ZINC000001251163	132240938	/nfs/dbraw/zinc/24/09/38/132240938.db2.gz	DMECKYNXOWGIBZ-DEDYPNTBSA-N	-1	0	433.508	5.213	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1	ZINC000002371170	132253090	/nfs/dbraw/zinc/25/30/90/132253090.db2.gz	XNXMRAKPRJAOJP-XSFVSMFZSA-N	-1	0	441.487	5.646	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000002801215	132257298	/nfs/dbraw/zinc/25/72/98/132257298.db2.gz	RFQLTEGSLXWXMI-RVDMUPIBSA-N	-1	0	443.311	5.085	50	10		IKCARM
O=C([O-])c1cccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)c1	ZINC000003742018	132267882	/nfs/dbraw/zinc/26/78/82/132267882.db2.gz	BIJTZHRWHAPVLK-UHFFFAOYSA-N	-1	0	439.471	5.471	50	10		IKCARM
O=C([O-])c1ccccc1Nc1cc(N2CCCCC2)c2noc3c2c1C(=O)c1ccccc1-3	ZINC000003742017	132267947	/nfs/dbraw/zinc/26/79/47/132267947.db2.gz	GGLZUGJSBIXCAO-UHFFFAOYSA-N	-1	0	439.471	5.471	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CC=C[C@@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008443284	132282132	/nfs/dbraw/zinc/28/21/32/132282132.db2.gz	LWUPMVGMGQEQBX-DJIOSBNXSA-N	-1	0	448.360	6.042	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c(C)c1	ZINC000008834458	132295716	/nfs/dbraw/zinc/29/57/16/132295716.db2.gz	XWYYULGPMNYVKI-HZHRSRAPSA-N	-1	0	449.510	5.177	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1Cl	ZINC000009428434	132316855	/nfs/dbraw/zinc/31/68/55/132316855.db2.gz	XMDKNVICBUXQKC-BOPFTXTBSA-N	-1	0	441.270	5.228	50	10		IKCARM
CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(CC)cc4)C3=O)c2C)cc1	ZINC000013688678	132353573	/nfs/dbraw/zinc/35/35/73/132353573.db2.gz	DEGLKARPKGWVOF-JLPGSUDCSA-N	-1	0	441.531	5.726	50	10		IKCARM
CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1	ZINC000033334289	518295843	/nfs/dbraw/zinc/29/58/43/518295843.db2.gz	MTWDYLBOSJEZJN-MOSHPQCFSA-N	-1	0	444.512	5.438	50	10		IKCARM
CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)cc1	ZINC000012629262	523962336	/nfs/dbraw/zinc/96/23/36/523962336.db2.gz	QWHVMPHKMAWTQQ-MOSHPQCFSA-N	-1	0	435.526	5.613	50	10		IKCARM
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)o1	ZINC000015011913	524190138	/nfs/dbraw/zinc/19/01/38/524190138.db2.gz	DWXRGKVVJUXZKF-UDWIEESQSA-N	-1	0	435.526	5.355	50	10		IKCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1	ZINC000034897258	525666291	/nfs/dbraw/zinc/66/62/91/525666291.db2.gz	LFICQEATRHFBGJ-RGVLZGJSSA-N	-1	0	437.448	5.329	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	ZINC000012376052	526327584	/nfs/dbraw/zinc/32/75/84/526327584.db2.gz	QORKFCUJENAXDK-VWLOTQADSA-N	-1	0	448.349	7.132	50	10		IKCARM
CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(OCC)cc3)C2=O)c2ccccc21	ZINC000013749312	535595763	/nfs/dbraw/zinc/59/57/63/535595763.db2.gz	KNEYOYRNLNUWIF-XSFVSMFZSA-N	-1	0	433.533	5.122	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3Cl)C2=O)cc1	ZINC000008914102	536184126	/nfs/dbraw/zinc/18/41/26/536184126.db2.gz	WFVXGSYSPJIMCU-XSFVSMFZSA-N	-1	0	433.895	5.259	50	10		IKCARM
CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1	ZINC000000980754	555593288	/nfs/dbraw/zinc/59/32/88/555593288.db2.gz	OHVOFPPEONIYGM-XSFVSMFZSA-N	-1	0	448.569	5.386	50	10		IKCARM
O=C1/C(=C\c2cc(Br)cc(Cl)c2[O-])SC(=S)N1C1CCCCC1	ZINC000002997428	555876360	/nfs/dbraw/zinc/87/63/60/555876360.db2.gz	ZVXAKTLKTZMCKX-NTUHNPAUSA-N	-1	0	432.792	5.342	50	10		IKCARM
CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C2c1ccccc1C(=O)[O-]	ZINC000003881461	555950454	/nfs/dbraw/zinc/95/04/54/555950454.db2.gz	AGCPHOZQIZDSRS-UHFFFAOYSA-N	-1	0	444.575	6.363	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002755710	556137524	/nfs/dbraw/zinc/13/75/24/556137524.db2.gz	KGXLDPOLPLEHKB-IRXDYDNUSA-N	-1	0	447.597	5.360	50	10		IKCARM
CCN(CC)c1ccc(/N=N/c2nccs2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000008398194	556164777	/nfs/dbraw/zinc/16/47/77/556164777.db2.gz	KZACORBSIVSIEM-GHVJWSGMSA-N	-1	0	429.571	5.514	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1C	ZINC000008741359	556206979	/nfs/dbraw/zinc/20/69/79/556206979.db2.gz	HXPVXQCKYRPJCG-BUVRLJJBSA-N	-1	0	449.510	5.813	50	10		IKCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000008783633	556214890	/nfs/dbraw/zinc/21/48/90/556214890.db2.gz	LVUDWSVFXDNMHF-UHFFFAOYSA-N	-1	0	438.243	5.943	50	10	biogenic	IKCARM
O=S(=O)([O-])c1ccc(N=Nc2cc(Oc3ncc(Cl)cc3Cl)ccc2O)cc1	ZINC000013764613	556302499	/nfs/dbraw/zinc/30/24/99/556302499.db2.gz	QLHWIBPKQCTJTH-QURGRASLSA-N	-1	0	440.264	5.548	50	10		IKCARM
CCc1sc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1	ZINC000010342354	556333230	/nfs/dbraw/zinc/33/32/30/556333230.db2.gz	HUEYVHBJNAASTD-UHFFFAOYSA-N	-1	0	428.457	5.072	50	10		IKCARM
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1	ZINC000013943529	556340599	/nfs/dbraw/zinc/34/05/99/556340599.db2.gz	ZIZQJDWOFVLIMI-LJSCERKKSA-N	-1	0	439.471	5.499	50	10		IKCARM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)c1	ZINC000013602709	556532987	/nfs/dbraw/zinc/53/29/87/556532987.db2.gz	JYDPXCHFQCWBDP-WQRHYEAKSA-N	-1	0	425.849	5.539	50	10		IKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1	ZINC000015947591	556568316	/nfs/dbraw/zinc/56/83/16/556568316.db2.gz	BBSWTDNLAKNTGU-MLXNANBUSA-N	-1	0	427.751	5.423	50	10		IKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Cl)c2[O-])N3)C1	ZINC000015947593	556568359	/nfs/dbraw/zinc/56/83/59/556568359.db2.gz	BBSWTDNLAKNTGU-ZIDLFYJRSA-N	-1	0	427.751	5.423	50	10		IKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1	ZINC000015947659	556568642	/nfs/dbraw/zinc/56/86/42/556568642.db2.gz	HSXUWTNSYKSWGW-KWKYVRJSSA-N	-1	0	427.751	5.423	50	10		IKCARM
Cc1ccc(-c2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	ZINC000017044908	556654020	/nfs/dbraw/zinc/65/40/20/556654020.db2.gz	RDGFBSYLRUUCBY-GZTJUZNOSA-N	-1	0	441.270	6.069	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1	ZINC000017045113	556654388	/nfs/dbraw/zinc/65/43/88/556654388.db2.gz	ZYVRDKJBLGFTOX-NOEYKIMYSA-N	-1	0	446.528	6.451	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000017299690	556674854	/nfs/dbraw/zinc/67/48/54/556674854.db2.gz	CBBXFCDUBIEKES-HYARGMPZSA-N	-1	0	443.572	5.691	50	10		IKCARM
CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(OC)cc4)cs3)c2=O)cc1	ZINC000018061711	556682464	/nfs/dbraw/zinc/68/24/64/556682464.db2.gz	WZFUEROMQKJSQP-VQERKYHCSA-N	-1	0	435.509	5.092	50	10		IKCARM
COc1ccccc1S(=O)(=O)[N-]c1nc(-c2cccs2)c(-c2cccs2)s1	ZINC000058708013	556791431	/nfs/dbraw/zinc/79/14/31/556791431.db2.gz	LIPBFYXPNVYQCP-UHFFFAOYSA-N	-1	0	434.589	5.410	50	10		IKCARM
CCCc1[n-]n(-c2nc3ccccc3s2)c(=O)c1C(C)=Nc1ccc(C(=O)OCC)cc1	ZINC000096609549	556837493	/nfs/dbraw/zinc/83/74/93/556837493.db2.gz	PSGULOMJAZFKJD-RCCKNPSSSA-N	-1	0	448.548	5.362	50	10		IKCARM
Cc1cc(-c2nc3ccccc3s2)ccc1[N-]S(=O)(=O)c1cccc2nsnc21	ZINC000033124045	556864282	/nfs/dbraw/zinc/86/42/82/556864282.db2.gz	FPEVOQVCZGWPTE-UHFFFAOYSA-N	-1	0	438.559	5.077	50	10		IKCARM
CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=S)N(c4ccc(F)cc4)C3=O)c2C)cc1	ZINC000033286683	557063888	/nfs/dbraw/zinc/06/38/88/557063888.db2.gz	LYSNBPOVFZJFPB-HYARGMPZSA-N	-1	0	447.535	5.467	50	10		IKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000043769621	557078826	/nfs/dbraw/zinc/07/88/26/557078826.db2.gz	UJBODOYKWBPKKC-JXALWOEJSA-N	-1	0	431.919	6.444	50	10		IKCARM
CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(F)cc4)C3=O)c2C)cc1	ZINC000033343271	557122228	/nfs/dbraw/zinc/12/22/28/557122228.db2.gz	MFEOZOGZXOJMAA-HMAPJEAMSA-N	-1	0	431.467	5.302	50	10		IKCARM
O=C([O-])c1cc(NC2=NC(=O)C(=Cc3cccc(Cl)c3Cl)S2)ccc1Cl	ZINC000003462740	557137800	/nfs/dbraw/zinc/13/78/00/557137800.db2.gz	GFPROCZQGFOSBM-MLPAPPSSSA-N	-1	0	427.696	5.427	50	10		IKCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccccc2Cl)o1	ZINC000100075203	557228699	/nfs/dbraw/zinc/22/86/99/557228699.db2.gz	QBBRWZPFXSZASJ-LFIBNONCSA-N	-1	0	441.270	5.758	50	10		IKCARM
Cc1[n-]n(-c2ccc(Br)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl	ZINC000100148593	557243144	/nfs/dbraw/zinc/24/31/44/557243144.db2.gz	DIXCICPTZAZZGO-LCYFTJDESA-N	-1	0	425.113	5.474	50	10		IKCARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1	ZINC000101114414	557256613	/nfs/dbraw/zinc/25/66/13/557256613.db2.gz	QPABHDPQUKISAW-OQLLNIDSSA-N	-1	0	448.310	5.370	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc2ccccc21	ZINC000100510914	557263028	/nfs/dbraw/zinc/26/30/28/557263028.db2.gz	ODLKSZAWPGXESK-KQEYZTLISA-N	-1	0	425.517	6.147	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1	ZINC000100510795	557263082	/nfs/dbraw/zinc/26/30/82/557263082.db2.gz	SQYJYIHTOCYRNH-FTGFMQHASA-N	-1	0	425.901	5.347	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100524947	557263362	/nfs/dbraw/zinc/26/33/62/557263362.db2.gz	DPVZOEULWYGDQL-LRDZBDLTSA-N	-1	0	430.320	5.992	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1	ZINC000100524965	557263690	/nfs/dbraw/zinc/26/36/90/557263690.db2.gz	CJSAZQSUFMDDMC-JMSHBIQUSA-N	-1	0	433.537	5.619	50	10		IKCARM
CC(=Nc1cc(C)ccc1O)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000100094397	557285158	/nfs/dbraw/zinc/28/51/58/557285158.db2.gz	KUPGGBATCQZUCK-CJLVFECKSA-N	-1	0	440.528	5.447	50	10		IKCARM
Cc1cc(/C=C2\c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000023330363	557313679	/nfs/dbraw/zinc/31/36/79/557313679.db2.gz	WQJMUIQFTZPGDZ-KOEQRZSOSA-N	-1	0	434.495	6.011	50	10		IKCARM
CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(OC)cc4)cs3)c2=O)cc1	ZINC000103560229	557316489	/nfs/dbraw/zinc/31/64/89/557316489.db2.gz	WZFUEROMQKJSQP-NZXNHFJFSA-N	-1	0	435.509	5.092	50	10		IKCARM
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1	ZINC000103646688	557317580	/nfs/dbraw/zinc/31/75/80/557317580.db2.gz	QPABHDPQUKISAW-DHDCSXOGSA-N	-1	0	448.310	5.370	50	10		IKCARM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000100148093	557335362	/nfs/dbraw/zinc/33/53/62/557335362.db2.gz	HRJJDUQGAXPDCP-WOJGMQOQSA-N	-1	0	441.270	5.758	50	10		IKCARM
COc1ccc(C(O)(CC(=O)c2sc3ccccc3c2[O-])c2ccc(OC)cc2)cc1	ZINC000000993477	568649053	/nfs/dbraw/zinc/64/90/53/568649053.db2.gz	XHPQLDKSHLYUCT-UHFFFAOYSA-N	-1	0	434.513	5.133	50	10		IKCARM
O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccc(O)cc3)c12	ZINC000085877048	568838583	/nfs/dbraw/zinc/83/85/83/568838583.db2.gz	NRGWQRDAWNYZNV-UHFFFAOYSA-N	-1	0	445.475	5.303	50	10	biogenic	IKCARM
COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000006924987	569178571	/nfs/dbraw/zinc/17/85/71/569178571.db2.gz	FZQZREQQVSMDCE-NZQKXSOJSA-N	-1	0	441.314	5.950	50	10		IKCARM
CCOc1ccc(N=Nc2c(C)[n-]n(-c3nc(-c4ccc(OC)cc4)cs3)c2=O)cc1	ZINC000252462878	569184740	/nfs/dbraw/zinc/18/47/40/569184740.db2.gz	WZFUEROMQKJSQP-HXUWFJFHSA-N	-1	0	435.509	5.092	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025868966	569189196	/nfs/dbraw/zinc/18/91/96/569189196.db2.gz	XZDKUPMCVMDSRN-UGKGYDQZSA-N	-1	0	445.733	6.595	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000252600257	569193414	/nfs/dbraw/zinc/19/34/14/569193414.db2.gz	DPVZOEULWYGDQL-QGZVFWFLSA-N	-1	0	430.320	5.992	50	10		IKCARM
O=C([O-])CC/C(=C1/C=C(c2ccc3c(c2)CCCC3)NC1=O)c1ccc2c(c1)CCCC2	ZINC000002278813	569217987	/nfs/dbraw/zinc/21/79/87/569217987.db2.gz	XBRNJJCUYDXZFO-OCOZRVBESA-N	-1	0	427.544	5.234	50	10		IKCARM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000257347745	569280100	/nfs/dbraw/zinc/28/01/00/569280100.db2.gz	SQOXGXCYIDDLGW-ZGYMDQIXSA-N	-1	0	426.454	5.792	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1	ZINC000020238550	569357565	/nfs/dbraw/zinc/35/75/65/569357565.db2.gz	ZYIHBJYMAVOXSA-MOSHPQCFSA-N	-1	0	445.431	5.232	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(SCc2ccccc2)o1	ZINC000020324520	569360341	/nfs/dbraw/zinc/36/03/41/569360341.db2.gz	RGXUDSHSBDXOQJ-PDGQHHTCSA-N	-1	0	438.892	5.732	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccc(OC(F)F)c1	ZINC000095477434	569373156	/nfs/dbraw/zinc/37/31/56/569373156.db2.gz	CIFMQVWZHZCJFT-UHFFFAOYSA-N	-1	0	441.390	5.297	50	10		IKCARM
O=c1[nH]n(C2CCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3ccccc3)c12	ZINC000095480314	569373940	/nfs/dbraw/zinc/37/39/40/569373940.db2.gz	ATZMAHZTMPBYQN-UHFFFAOYSA-N	-1	0	429.476	6.010	50	10		IKCARM
Cc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCCC2)o1	ZINC000095480791	569374023	/nfs/dbraw/zinc/37/40/23/569374023.db2.gz	WTMAATXAUSIIHI-UHFFFAOYSA-N	-1	0	433.464	5.911	50	10		IKCARM
CCOc1ccc(NC(=O)c2sc(C)c(CC(=O)Nc3ccc(Cl)cc3)c2[O-])cc1	ZINC000003648070	569455640	/nfs/dbraw/zinc/45/56/40/569455640.db2.gz	LWCHBSLIOVMJKQ-UHFFFAOYSA-N	-1	0	444.940	5.248	50	10		IKCARM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000008384783	569462686	/nfs/dbraw/zinc/46/26/86/569462686.db2.gz	HFWFPZLTYQMKJC-HAHDFKILSA-N	-1	0	436.515	5.462	50	10		IKCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000008780878	569475601	/nfs/dbraw/zinc/47/56/01/569475601.db2.gz	KXMVCSXYJYNFBH-GDNBJRDFSA-N	-1	0	433.678	5.368	50	10		IKCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000008819004	569477020	/nfs/dbraw/zinc/47/70/20/569477020.db2.gz	CSIHGNZNMNVYRT-NCPSJORJSA-N	-1	0	441.452	5.030	50	10		IKCARM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000008920004	569486447	/nfs/dbraw/zinc/48/64/47/569486447.db2.gz	CONJMRGDCCHTBY-MLCYQJTMSA-N	-1	0	439.408	6.731	50	10		IKCARM
O=C1[N-]C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1c(Cl)cccc1Cl	ZINC000008994526	569495549	/nfs/dbraw/zinc/49/55/49/569495549.db2.gz	YHSJWPONUAZVJV-WQLSENKSSA-N	-1	0	429.181	5.519	50	10		IKCARM
O=C([O-])CCCCCCCCCCN1C(=O)C(=CNc2cccc(O)c2)SC1=S	ZINC000009422302	569532863	/nfs/dbraw/zinc/53/28/63/569532863.db2.gz	ZZFQVFZHHNLMNL-SDXDJHTJSA-N	-1	0	436.599	5.101	50	10		IKCARM
COc1ccc(-c2cc(=O)c3c(C)oc(C)c3c([O-])c2N=Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000009514115	569543174	/nfs/dbraw/zinc/54/31/74/569543174.db2.gz	YIFQDGDAHFTBHB-OCEACIFDSA-N	-1	0	445.431	6.115	50	10	biogenic	IKCARM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(C4CCCCC4)c3C)C(=O)[N-]C2=S)cc1	ZINC000000858026	132231716	/nfs/dbraw/zinc/23/17/16/132231716.db2.gz	OABKDYLLAMSCTE-PXLXIMEGSA-N	-1	0	435.593	5.844	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000001310317	132241404	/nfs/dbraw/zinc/24/14/04/132241404.db2.gz	QUUZEPZSWHOPJD-GZTJUZNOSA-N	-1	0	426.856	5.411	50	10		IKCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C1=O	ZINC000002173249	132248324	/nfs/dbraw/zinc/24/83/24/132248324.db2.gz	HJOHGVPHNSMMCE-SFQUDFHCSA-N	-1	0	438.892	5.059	50	10		IKCARM
Cc1cc(/C=C2/C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1	ZINC000002308971	132251806	/nfs/dbraw/zinc/25/18/06/132251806.db2.gz	RZDATXKYECMMJE-MOSHPQCFSA-N	-1	0	441.984	5.095	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1	ZINC000002382911	132253505	/nfs/dbraw/zinc/25/35/05/132253505.db2.gz	YJNDZGRDWIQINH-XSFVSMFZSA-N	-1	0	441.874	5.359	50	10		IKCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000006508273	132277543	/nfs/dbraw/zinc/27/75/43/132277543.db2.gz	ZRQPVGJNZIISPD-JLPGSUDCSA-N	-1	0	436.467	5.058	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000008657018	132289322	/nfs/dbraw/zinc/28/93/22/132289322.db2.gz	HPDSKXMSDHYJQR-LPYMAVHISA-N	-1	0	447.922	5.031	50	10		IKCARM
COc1cccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccc(Cl)cc4)c3C)C2=O)c1	ZINC000009011886	132300691	/nfs/dbraw/zinc/30/06/91/132300691.db2.gz	BEXUDILTPVQHNU-MTJSOVHGSA-N	-1	0	449.894	5.263	50	10		IKCARM
Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=Cc3ccc(N4CCCCCC4)cc3)C2=O)c(C)c1	ZINC000009397380	132314791	/nfs/dbraw/zinc/31/47/91/132314791.db2.gz	LDEJFCCQRSTIPC-JWGURIENSA-N	-1	0	431.536	5.499	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1Cl	ZINC000009454425	132318029	/nfs/dbraw/zinc/31/80/29/132318029.db2.gz	KUDXNFXWGIVFLJ-WJDWOHSUSA-N	-1	0	441.270	5.228	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1	ZINC000013549080	132349511	/nfs/dbraw/zinc/34/95/11/132349511.db2.gz	YJLVYFHWOZHAJA-GZTJUZNOSA-N	-1	0	441.270	5.228	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1	ZINC000013688226	132353558	/nfs/dbraw/zinc/35/35/58/132353558.db2.gz	QZVCMTZNJSERRS-XWCAUFEOSA-N	-1	0	448.906	5.780	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1	ZINC000013810519	132354884	/nfs/dbraw/zinc/35/48/84/132354884.db2.gz	RZDATXKYECMMJE-DEDYPNTBSA-N	-1	0	441.984	5.935	50	10		IKCARM
Cc1ccc(-c2ccc(/C=C3/C=C(c4ccccc4)N(c4ccc(C(=O)[O-])cc4)C3=O)o2)cc1	ZINC000015828384	518188073	/nfs/dbraw/zinc/18/80/73/518188073.db2.gz	VXOHDXPUVUYCTI-QJOMJCCJSA-N	-1	0	447.490	6.425	50	10		IKCARM
CCN(Cc1ccccc1)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000012565950	521374117	/nfs/dbraw/zinc/37/41/17/521374117.db2.gz	UPROVPLVJSDVDL-LTGZKZEYSA-N	-1	0	428.557	6.338	50	10		IKCARM
CC[C@H](C)c1ccc(-c2csc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1	ZINC000012521100	522037430	/nfs/dbraw/zinc/03/74/30/522037430.db2.gz	LQZOCFIXSKEFNQ-AWEZNQCLSA-N	-1	0	429.567	5.083	50	10		IKCARM
COc1ccc(/N=N/c2cc(C)c(/N=N/c3ccc(S(=O)(=O)[O-])cc3)cc2OC)cc1	ZINC000032131278	523471780	/nfs/dbraw/zinc/47/17/80/523471780.db2.gz	DTRJDURRPWBDEY-BQASJOSNSA-N	-1	0	440.481	6.090	50	10		IKCARM
COc1ccccc1-c1coc2c(ccc([O-])c2CN2CCCC[C@H]2c2cccnc2)c1=O	ZINC000020763349	524276824	/nfs/dbraw/zinc/27/68/24/524276824.db2.gz	FFMSSMKSIPJQKG-QHCPKHFHSA-N	-1	0	442.515	5.296	50	10	biogenic	IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000843235	527044557	/nfs/dbraw/zinc/04/45/57/527044557.db2.gz	BLYHNAATXSVOGF-WJDWOHSUSA-N	-1	0	437.795	5.015	50	10		IKCARM
CCCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21	ZINC000002371722	535595060	/nfs/dbraw/zinc/59/50/60/535595060.db2.gz	SLENRYJZSYYXKC-RCCKNPSSSA-N	-1	0	439.540	5.876	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1	ZINC000002222550	536021015	/nfs/dbraw/zinc/02/10/15/536021015.db2.gz	SGLXTYFFVRLTFK-RPNTZMPASA-N	-1	0	427.504	5.557	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)o2)cc1	ZINC000001159271	555660880	/nfs/dbraw/zinc/66/08/80/555660880.db2.gz	NTYODGZVGDTGBX-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
CCOC(=O)c1c(-c2ccccc2)csc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000100209366	555703758	/nfs/dbraw/zinc/70/37/58/555703758.db2.gz	APDJNUNRSAQGEI-ZHZULCJRSA-N	-1	0	445.544	5.619	50	10		IKCARM
CC(C)c1ccc([C@@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1	ZINC000002812552	555827633	/nfs/dbraw/zinc/82/76/33/555827633.db2.gz	UQYFYFTUMWJLAY-HSZRJFAPSA-N	-1	0	447.535	5.758	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)ccc1Cl	ZINC000002840077	555835010	/nfs/dbraw/zinc/83/50/10/555835010.db2.gz	ULRJSJPKRYEMRS-ODLFYWEKSA-N	-1	0	439.876	5.535	50	10		IKCARM
Cc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1Cl	ZINC000002909342	555861891	/nfs/dbraw/zinc/86/18/91/555861891.db2.gz	OEMBOCLHKVXZMI-ODLFYWEKSA-N	-1	0	438.892	5.689	50	10		IKCARM
Cc1c(C(=O)[O-])cc(-c2ccc(Br)cc2)n1-c1ccc(Br)cc1	ZINC000004237799	555978439	/nfs/dbraw/zinc/97/84/39/555978439.db2.gz	NLBFIICBXBRJMW-UHFFFAOYSA-N	-1	0	435.115	5.676	50	10		IKCARM
O=S(=O)([N-]c1cc(Sc2ccc(Cl)cc2)c(O)c2ccccc12)c1cccs1	ZINC000002685416	556119044	/nfs/dbraw/zinc/11/90/44/556119044.db2.gz	XTSXSUBKFHCNNV-UHFFFAOYSA-N	-1	0	447.990	6.212	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S	ZINC000002934414	556150102	/nfs/dbraw/zinc/15/01/02/556150102.db2.gz	GBZWJTSHYITMOY-OQLLNIDSSA-N	-1	0	442.345	5.319	50	10		IKCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S	ZINC000009339658	556283471	/nfs/dbraw/zinc/28/34/71/556283471.db2.gz	NKCBUVWIICYVCF-SFQUDFHCSA-N	-1	0	435.954	5.446	50	10		IKCARM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc(Cl)ccc1O	ZINC000013882023	556326485	/nfs/dbraw/zinc/32/64/85/556326485.db2.gz	OGAVFBWFZPSFGJ-XFFZJAGNSA-N	-1	0	431.106	5.724	50	10		IKCARM
O=C1/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	ZINC000015011905	556483517	/nfs/dbraw/zinc/48/35/17/556483517.db2.gz	KGEIGANHXODANB-MKMNVTDBSA-N	-1	0	427.290	5.013	50	10		IKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1	ZINC000015947657	556568672	/nfs/dbraw/zinc/56/86/72/556568672.db2.gz	HSXUWTNSYKSWGW-ZIDLFYJRSA-N	-1	0	427.751	5.423	50	10		IKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Br)c2[O-])N3)C1	ZINC000015947661	556568696	/nfs/dbraw/zinc/56/86/96/556568696.db2.gz	HSXUWTNSYKSWGW-NZFNHWASSA-N	-1	0	427.751	5.423	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000016311359	556599660	/nfs/dbraw/zinc/59/96/60/556599660.db2.gz	JDOBOCKEVQXGQN-CIAFOILYSA-N	-1	0	449.963	5.728	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SC1=S	ZINC000016735710	556633273	/nfs/dbraw/zinc/63/32/73/556633273.db2.gz	SCAXDFWDMIAIHF-DHDCSXOGSA-N	-1	0	442.345	5.319	50	10		IKCARM
O=C1[N-]C(=O)N(CCc2ccccc2)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1	ZINC000017016499	556653003	/nfs/dbraw/zinc/65/30/03/556653003.db2.gz	CXCSQLNIKOZGBY-OQKWZONESA-N	-1	0	435.483	5.380	50	10		IKCARM
Cc1ccccc1[C@@H]1c2ccccc2OC(c2ccccc2)=C1C=C1C(=O)[N-]C(=O)NC1=O	ZINC000017017151	556653357	/nfs/dbraw/zinc/65/33/57/556653357.db2.gz	MAYYSCSVTBKIDJ-HSZRJFAPSA-N	-1	0	436.467	5.063	50	10		IKCARM
Cc1nn(C)c(C)c1N=Cc1c(C)[n-]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O	ZINC000096602671	556838415	/nfs/dbraw/zinc/83/84/15/556838415.db2.gz	CAROCMWTLOMZHN-IWIPYMOSSA-N	-1	0	443.595	5.223	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000020395182	557013472	/nfs/dbraw/zinc/01/34/72/557013472.db2.gz	WDNWTQXWNRZIRV-DEDYPNTBSA-N	-1	0	447.535	5.522	50	10		IKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000111478785	557045755	/nfs/dbraw/zinc/04/57/55/557045755.db2.gz	UJBODOYKWBPKKC-YOSAUDMPSA-N	-1	0	431.919	6.444	50	10		IKCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000051364656	557069198	/nfs/dbraw/zinc/06/91/98/557069198.db2.gz	CSIHGNZNMNVYRT-GRRFOWRYSA-N	-1	0	441.452	5.030	50	10		IKCARM
CCn1cc(C=C2C(=O)[N-]C(=S)N(c3cccc4ccccc43)C2=O)c2ccccc21	ZINC000033334146	557117608	/nfs/dbraw/zinc/11/76/08/557117608.db2.gz	PQJDCSYJFPQWSC-ZHZULCJRSA-N	-1	0	425.513	5.486	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000033335841	557119021	/nfs/dbraw/zinc/11/90/21/557119021.db2.gz	JXFYKMQFTRWVNE-STZFKDTASA-N	-1	0	429.545	5.383	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc(Cl)c1	ZINC000033343272	557122202	/nfs/dbraw/zinc/12/22/02/557122202.db2.gz	WCECZPPCRFVFPZ-JAIQZWGSSA-N	-1	0	437.858	5.393	50	10		IKCARM
CC1=NN(c2ccc(Cl)c(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1	ZINC000098086650	557123647	/nfs/dbraw/zinc/12/36/47/557123647.db2.gz	WARKZRSSJOLKHO-BOPFTXTBSA-N	-1	0	441.270	5.758	50	10		IKCARM
Cc1c(Cl)cccc1NC1=NC(=O)C(=Cc2ccc(-c3ccccc3C(=O)[O-])o2)S1	ZINC000022135372	557180105	/nfs/dbraw/zinc/18/01/05/557180105.db2.gz	GLTGDMUHVGRXHM-ODLFYWEKSA-N	-1	0	438.892	5.689	50	10		IKCARM
O=C([O-])C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000011565596	557201553	/nfs/dbraw/zinc/20/15/53/557201553.db2.gz	AXEATYUDDIPAIG-CRNMQVKPSA-N	-1	0	438.357	5.411	50	10		IKCARM
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cccc(Cl)c1Cl	ZINC000100087688	557240265	/nfs/dbraw/zinc/24/02/65/557240265.db2.gz	HZHUDUDXCWBVFO-YFHOEESVSA-N	-1	0	449.552	6.672	50	10		IKCARM
CC(=Nc1cccc(Cl)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100094544	557240455	/nfs/dbraw/zinc/24/04/55/557240455.db2.gz	ZBIQQMYJVYSRSX-XNTDXEJSSA-N	-1	0	436.846	5.601	50	10		IKCARM
CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)sc2c1CCCC2	ZINC000101112399	557256320	/nfs/dbraw/zinc/25/63/20/557256320.db2.gz	BWLNDJAKXONLHO-SFQUDFHCSA-N	-1	0	443.956	5.176	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(Cl)c4C)c3=O)n2)cc1	ZINC000100524971	557263673	/nfs/dbraw/zinc/26/36/73/557263673.db2.gz	IMXXYFUTBZSCJP-WWDJGNSZSA-N	-1	0	439.928	5.656	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)c(C)c3)c1=O)CCCC2	ZINC000100535535	557264032	/nfs/dbraw/zinc/26/40/32/557264032.db2.gz	BKTAWUBJJQZUCE-UYRXBGFRSA-N	-1	0	437.565	5.139	50	10		IKCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000100147496	557335088	/nfs/dbraw/zinc/33/50/88/557335088.db2.gz	YVGLAIVFIRFRAO-GZTJUZNOSA-N	-1	0	441.270	5.758	50	10		IKCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000100147460	557335144	/nfs/dbraw/zinc/33/51/44/557335144.db2.gz	WZELXFFUCZKJAA-GZTJUZNOSA-N	-1	0	441.270	5.758	50	10		IKCARM
CCc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1	ZINC000100161189	557338640	/nfs/dbraw/zinc/33/86/40/557338640.db2.gz	NBHFOUJVZWLSCB-SFQUDFHCSA-N	-1	0	430.455	5.510	50	10		IKCARM
CCOC(=O)c1c(-c2ccc(C)cc2)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100209380	557367569	/nfs/dbraw/zinc/36/75/69/557367569.db2.gz	KPPSLOPPLQGBNL-XSFVSMFZSA-N	-1	0	445.544	5.619	50	10		IKCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	ZINC000101150120	557391231	/nfs/dbraw/zinc/39/12/31/557391231.db2.gz	FPBBHWKFGLKXMA-MDWZMJQESA-N	-1	0	425.659	5.274	50	10		IKCARM
CCOc1cccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccccc4)cc3)C2=O)c1	ZINC000033420763	557396397	/nfs/dbraw/zinc/39/63/97/557396397.db2.gz	LBKMANUARCRHEH-KQWNVCNZSA-N	-1	0	442.471	5.171	50	10		IKCARM
Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1C	ZINC000033628886	557425291	/nfs/dbraw/zinc/42/52/91/557425291.db2.gz	ZGUONYVJLQXCMX-GZTJUZNOSA-N	-1	0	427.287	5.332	50	10		IKCARM
O=C(N[C@@H](c1ccc(Cl)cc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000001133557	568662198	/nfs/dbraw/zinc/66/21/98/568662198.db2.gz	RTRGJVZFNYOBAE-FQEVSTJZSA-N	-1	0	439.899	5.288	50	10		IKCARM
O=C(N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000016213897	568873089	/nfs/dbraw/zinc/87/30/89/568873089.db2.gz	HILDICTWZVGPGX-HXUWFJFHSA-N	-1	0	439.899	5.288	50	10		IKCARM
COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(F)cc3Cl)n2)cc1Cl	ZINC000170593221	569141187	/nfs/dbraw/zinc/14/11/87/569141187.db2.gz	XTOXLJUHKYZRPJ-UHFFFAOYSA-N	-1	0	433.313	5.065	50	10		IKCARM
COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000006925021	569178540	/nfs/dbraw/zinc/17/85/40/569178540.db2.gz	FZQZREQQVSMDCE-NFBKMPQASA-N	-1	0	441.314	5.950	50	10		IKCARM
Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000252632380	569204876	/nfs/dbraw/zinc/20/48/76/569204876.db2.gz	VSJKSWIFEPBVIV-REWPJTCUSA-N	-1	0	425.315	6.250	50	10		IKCARM
O=C1/C(=C/c2cc(Cl)cc(Br)c2[O-])SC(=S)N1Cc1ccccc1	ZINC000027521231	569218469	/nfs/dbraw/zinc/21/84/69/569218469.db2.gz	JFCLSYBFZAGWNS-AUWJEWJLSA-N	-1	0	440.771	5.210	50	10		IKCARM
Nc1cc(N)c(Oc2ccc(C(=O)[O-])cc2)cc1NN=C1C=C([N+](=O)[O-])C=C(Cl)C1=O	ZINC000257347275	569263112	/nfs/dbraw/zinc/26/31/12/569263112.db2.gz	CENOLHYYCDBPJU-UHFFFAOYSA-N	-1	0	443.803	5.024	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	ZINC000239432933	569268906	/nfs/dbraw/zinc/26/89/06/569268906.db2.gz	WXZHYNIYTFJYOW-YBVJTHMASA-N	-1	0	448.360	6.042	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000002305063	569271645	/nfs/dbraw/zinc/27/16/45/569271645.db2.gz	ZPGHSNHXZZZPFK-FYJGNVAPSA-N	-1	0	433.895	5.563	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1c(F)cccc1Cl	ZINC000095475459	569372745	/nfs/dbraw/zinc/37/27/45/569372745.db2.gz	ULQUQQWVEMOBRK-UHFFFAOYSA-N	-1	0	427.819	5.488	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	ZINC000008995215	569495659	/nfs/dbraw/zinc/49/56/59/569495659.db2.gz	LESAPTXRFFKDQO-HAHDFKILSA-N	-1	0	435.483	5.505	50	10		IKCARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	ZINC000040567393	569509434	/nfs/dbraw/zinc/50/94/34/569509434.db2.gz	ZSGGPGRCHAGXGR-OVCORXIESA-N	-1	0	439.489	5.113	50	10		IKCARM
O=S(=O)([N-]c1nc(-c2ccco2)c(-c2ccco2)s1)c1c(Cl)cccc1Cl	ZINC000009223662	569512999	/nfs/dbraw/zinc/51/29/99/569512999.db2.gz	RULQRVYVMVHPQD-UHFFFAOYSA-N	-1	0	441.317	5.771	50	10		IKCARM
CN(C)c1ccc(N2C(=O)/C(=C\c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1	ZINC000009232538	569513746	/nfs/dbraw/zinc/51/37/46/569513746.db2.gz	CAMLECHWXJXBRN-OQLLNIDSSA-N	-1	0	425.362	5.171	50	10		IKCARM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1	ZINC000010232901	569579350	/nfs/dbraw/zinc/57/93/50/569579350.db2.gz	VYCPNTRVJQUEOI-WOJGMQOQSA-N	-1	0	425.462	5.190	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000001306294	132241396	/nfs/dbraw/zinc/24/13/96/132241396.db2.gz	GIIFPYPOEZBSON-FYJGNVAPSA-N	-1	0	433.508	5.213	50	10		IKCARM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)cc1	ZINC000002307008	132251800	/nfs/dbraw/zinc/25/18/00/132251800.db2.gz	VRIBSSWNDBTGRO-HZHRSRAPSA-N	-1	0	443.572	5.637	50	10		IKCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000004081989	132269502	/nfs/dbraw/zinc/26/95/02/132269502.db2.gz	OJZGPYBYDJHDTO-BKUYFWCQSA-N	-1	0	447.922	5.031	50	10		IKCARM
Cc1cccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1	ZINC000008914315	132297985	/nfs/dbraw/zinc/29/79/85/132297985.db2.gz	UVWPGNLBZXHGLX-LDADJPATSA-N	-1	0	438.892	5.899	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000008971380	132299240	/nfs/dbraw/zinc/29/92/40/132299240.db2.gz	QBLFZFAXWOJNTL-ZHZULCJRSA-N	-1	0	439.446	5.335	50	10		IKCARM
COc1cccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)[N-]C2=S)c1	ZINC000009012840	132300677	/nfs/dbraw/zinc/30/06/77/132300677.db2.gz	IZQPJYVURAGPDS-XKZIYDEJSA-N	-1	0	445.544	5.083	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccccc4)o3)C2=O)cc1	ZINC000009168375	132307467	/nfs/dbraw/zinc/30/74/67/132307467.db2.gz	ZYVRDKJBLGFTOX-KQRQPNSISA-N	-1	0	446.528	6.451	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1	ZINC000009428565	132316859	/nfs/dbraw/zinc/31/68/59/132316859.db2.gz	OTSGBYTWBOUUEP-XWCAUFEOSA-N	-1	0	448.906	5.780	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000009471595	132318796	/nfs/dbraw/zinc/31/87/96/132318796.db2.gz	UJEGQGRVFWWBFA-XKZIYDEJSA-N	-1	0	447.922	5.031	50	10		IKCARM
CCCn1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21	ZINC000013512784	132349081	/nfs/dbraw/zinc/34/90/81/132349081.db2.gz	WCTMNMTVSJCTDK-KGENOOAVSA-N	-1	0	431.561	5.006	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1	ZINC000013616209	132352132	/nfs/dbraw/zinc/35/21/32/132352132.db2.gz	INONWRWTNGLOPG-WJDWOHSUSA-N	-1	0	441.270	5.228	50	10		IKCARM
Cc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)[N-]C2=S)cc1	ZINC000001105340	524915645	/nfs/dbraw/zinc/91/56/45/524915645.db2.gz	CFBOTFZBWNRMLJ-XDHOZWIPSA-N	-1	0	447.472	5.143	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21	ZINC000016400854	526343294	/nfs/dbraw/zinc/34/32/94/526343294.db2.gz	FSJSKGPHUKTDIJ-QFSBIZTOSA-N	-1	0	438.243	5.993	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000033441681	526359888	/nfs/dbraw/zinc/35/98/88/526359888.db2.gz	OCBZXTUTFCAPMJ-WQRHYEAKSA-N	-1	0	441.917	5.704	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000028166581	527584597	/nfs/dbraw/zinc/58/45/97/527584597.db2.gz	KSPKLJYLKOLVHW-NTEUORMPSA-N	-1	0	442.345	5.319	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(C)cc3)C2=O)cc1	ZINC000008769860	536021863	/nfs/dbraw/zinc/02/18/63/536021863.db2.gz	OUWSMSPRNUFWFI-JWGRYVKWSA-N	-1	0	441.531	5.229	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000000640810	555518442	/nfs/dbraw/zinc/51/84/42/555518442.db2.gz	PBPKAYPEINPQMU-XDHOZWIPSA-N	-1	0	439.298	5.034	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000000843360	555568426	/nfs/dbraw/zinc/56/84/26/555568426.db2.gz	WWIRNQBRUYYGRR-OEAKJJBVSA-N	-1	0	443.572	5.691	50	10		IKCARM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21	ZINC000000993848	555597695	/nfs/dbraw/zinc/59/76/95/555597695.db2.gz	UWWTZEFJKKCIAH-MOSHPQCFSA-N	-1	0	433.294	5.761	50	10		IKCARM
O=C(N[C@H](/C=C/c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000002488194	555783840	/nfs/dbraw/zinc/78/38/40/555783840.db2.gz	IQFVNDZPBHFOQT-QZMUEMGWSA-N	-1	0	431.492	5.300	50	10		IKCARM
CC(C)c1ccc([C@H](NC(=O)C2CCCCC2)c2cc([N+](=O)[O-])c3cccnc3c2[O-])cc1	ZINC000002812551	555827539	/nfs/dbraw/zinc/82/75/39/555827539.db2.gz	UQYFYFTUMWJLAY-QHCPKHFHSA-N	-1	0	447.535	5.758	50	10		IKCARM
O=S(=O)([N-]c1cc(SCc2ccccc2)c(O)c2ccccc12)c1cccs1	ZINC000002855923	555841333	/nfs/dbraw/zinc/84/13/33/555841333.db2.gz	CRPBNTQHISTAOY-UHFFFAOYSA-N	-1	0	427.572	5.700	50	10		IKCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)c(C)c1	ZINC000002919815	555862988	/nfs/dbraw/zinc/86/29/88/555862988.db2.gz	XXRJEEBUTHZRQI-NDENLUEZSA-N	-1	0	435.526	5.667	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000002994162	555875778	/nfs/dbraw/zinc/87/57/78/555875778.db2.gz	OCBZXTUTFCAPMJ-WOJGMQOQSA-N	-1	0	441.917	5.704	50	10		IKCARM
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)cc1	ZINC000002916284	556149024	/nfs/dbraw/zinc/14/90/24/556149024.db2.gz	FFIQXMCJQFNVID-UNOMPAQXSA-N	-1	0	437.498	5.059	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)C1=Cc1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000009925862	556317015	/nfs/dbraw/zinc/31/70/15/556317015.db2.gz	BEDFKBJEQSTTFJ-AQTBWJFISA-N	-1	0	439.298	5.874	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1	ZINC000013940299	556337882	/nfs/dbraw/zinc/33/78/82/556337882.db2.gz	JWKIAHBGGPILMU-AQTBWJFISA-N	-1	0	439.298	5.034	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	ZINC000015013537	556484499	/nfs/dbraw/zinc/48/44/99/556484499.db2.gz	FDQRXRMWZWZIDZ-LICLKQGHSA-N	-1	0	443.242	5.049	50	10		IKCARM
O=C1/C(=C/c2cc(Cl)cc(Br)c2[O-])SC(=S)N1C1CCCCC1	ZINC000013517267	556511440	/nfs/dbraw/zinc/51/14/40/556511440.db2.gz	COWRPOICXFNGPB-QPEQYQDCSA-N	-1	0	432.792	5.342	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000013601787	556532702	/nfs/dbraw/zinc/53/27/02/556532702.db2.gz	WYBRPPKMFPQIEU-AWZKZOKMSA-N	-1	0	440.326	5.448	50	10		IKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1	ZINC000015947595	556568347	/nfs/dbraw/zinc/56/83/47/556568347.db2.gz	BBSWTDNLAKNTGU-KWKYVRJSSA-N	-1	0	427.751	5.423	50	10		IKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Br)c2[O-])N3)C1	ZINC000015947655	556568354	/nfs/dbraw/zinc/56/83/54/556568354.db2.gz	HSXUWTNSYKSWGW-MLXNANBUSA-N	-1	0	427.751	5.423	50	10		IKCARM
Cc1ccc(N2C(=O)C(=Cc3c4ccccc4[nH]c3-c3ccccc3)C(=O)[N-]C2=S)cc1	ZINC000017016242	556653060	/nfs/dbraw/zinc/65/30/60/556653060.db2.gz	BGAVDXNGDHPBFC-RCCKNPSSSA-N	-1	0	437.524	5.815	50	10		IKCARM
Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2C=C2C(=O)[N-]C(=O)NC2=O)cc1	ZINC000017042619	556653785	/nfs/dbraw/zinc/65/37/85/556653785.db2.gz	IGHCIGZYCVCEAX-OAQYLSRUSA-N	-1	0	442.496	5.125	50	10		IKCARM
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(Cl)c([O-])c(Br)c1	ZINC000013913990	556661847	/nfs/dbraw/zinc/66/18/47/556661847.db2.gz	YHTFGJBGBPYKBX-MLPAPPSSSA-N	-1	0	426.097	5.268	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(C)cc1C	ZINC000033927806	556733160	/nfs/dbraw/zinc/73/31/60/556733160.db2.gz	FODMUVIYXYIFAN-BKUYFWCQSA-N	-1	0	431.467	5.357	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)C1=Cc1ccc(O)c(Cl)c1	ZINC000034234801	556807187	/nfs/dbraw/zinc/80/71/87/556807187.db2.gz	NEIVFUIEOSJVNE-UNOMPAQXSA-N	-1	0	448.862	5.131	50	10		IKCARM
CCc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2cc(C)n(-c3cccc(Cl)c3)c2C)C1=O	ZINC000001211921	557120432	/nfs/dbraw/zinc/12/04/32/557120432.db2.gz	GLDAWLIAAOQHTQ-FYJGNVAPSA-N	-1	0	447.922	5.181	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1c(C)cccc1C	ZINC000033350794	557128121	/nfs/dbraw/zinc/12/81/21/557128121.db2.gz	DOZDBANFTNHLQM-FYJGNVAPSA-N	-1	0	431.467	5.357	50	10		IKCARM
O=c1c(C=Nc2ccc(Cl)cc2Cl)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000100057183	557218873	/nfs/dbraw/zinc/21/88/73/557218873.db2.gz	JHIZIDBLMIKXPV-WQLSENKSSA-N	-1	0	445.184	5.163	50	10		IKCARM
CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4ccc(C(=O)[O-])cc4)o3)S2)cc1	ZINC000018193743	557247274	/nfs/dbraw/zinc/24/72/74/557247274.db2.gz	DLXNWEMRUSGGDF-MOSHPQCFSA-N	-1	0	434.473	5.126	50	10		IKCARM
CCOc1ccc(NC2=NC(=O)C(=Cc3ccc(-c4cccc(C(=O)[O-])c4)o3)S2)cc1	ZINC000018193716	557247322	/nfs/dbraw/zinc/24/73/22/557247322.db2.gz	RNGHHZMQVXQOGA-DEDYPNTBSA-N	-1	0	434.473	5.126	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4nc5ccccc5s4)c3=O)n2)cc1	ZINC000100506438	557262743	/nfs/dbraw/zinc/26/27/43/557262743.db2.gz	OSIPDQYFTNUHSJ-PZPYUUCDSA-N	-1	0	448.533	5.303	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1cccc2ccccc21	ZINC000100510910	557262989	/nfs/dbraw/zinc/26/29/89/557262989.db2.gz	ODLKSZAWPGXESK-PLFNIDSXSA-N	-1	0	425.517	6.147	50	10		IKCARM
CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)sc2c1CCCC2	ZINC000100535687	557264013	/nfs/dbraw/zinc/26/40/13/557264013.db2.gz	ICEAPJRSKQAHBI-ATVHPVEESA-N	-1	0	443.956	5.176	50	10		IKCARM
CCOc1ccc(N=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1	ZINC000100246743	557390439	/nfs/dbraw/zinc/39/04/39/557390439.db2.gz	SPWWBDJUBZERQB-SFQUDFHCSA-N	-1	0	446.454	5.346	50	10		IKCARM
O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)SC(=S)N1c1ccc(Cl)c(Cl)c1	ZINC000033441710	557398619	/nfs/dbraw/zinc/39/86/19/557398619.db2.gz	KGEIGANHXODANB-NSIKDUERSA-N	-1	0	427.290	5.013	50	10		IKCARM
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1cc(Cl)ccc1O)c1ccc(C)cc1	ZINC000103696143	557440878	/nfs/dbraw/zinc/44/08/78/557440878.db2.gz	GTCRVSFIFHERSR-WWFUZCLXSA-N	-1	0	428.919	6.244	50	10		IKCARM
CCc1ccccc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000109362642	557553478	/nfs/dbraw/zinc/55/34/78/557553478.db2.gz	BSGGASKKXLCTDW-SFQUDFHCSA-N	-1	0	430.455	5.510	50	10		IKCARM
CCOC(=O)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1	ZINC000008590015	562951421	/nfs/dbraw/zinc/95/14/21/562951421.db2.gz	NHVDPRSTVDGZQG-UHFFFAOYSA-N	-1	0	442.309	5.101	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000008763600	562964019	/nfs/dbraw/zinc/96/40/19/562964019.db2.gz	ICANFXDIMLZIQX-ZROIWOOFSA-N	-1	0	442.345	5.319	50	10		IKCARM
CCCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000013124851	562984830	/nfs/dbraw/zinc/98/48/30/562984830.db2.gz	JQFHVIXDOTUIRX-ULJHMMPZSA-N	-1	0	440.499	5.550	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc(C(F)(F)F)c1)[C@H]1CC=C[C@@H]21	ZINC000003636270	568752063	/nfs/dbraw/zinc/75/20/63/568752063.db2.gz	ITPSVLQAOTZWJK-KEYYUXOJSA-N	-1	0	438.243	5.993	50	10		IKCARM
CCCCCCc1cc2c(cc1OCc1ccc(C(=O)[O-])o1)oc(=O)cc2-c1ccccc1	ZINC000001902729	568918641	/nfs/dbraw/zinc/91/86/41/568918641.db2.gz	GGELPBZBQNHTLN-UHFFFAOYSA-N	-1	0	446.499	6.453	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000013914932	569157402	/nfs/dbraw/zinc/15/74/02/569157402.db2.gz	YHNYKAIEQFPZPL-UNOMPAQXSA-N	-1	0	434.536	5.492	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025868980	569189115	/nfs/dbraw/zinc/18/91/15/569189115.db2.gz	XZDKUPMCVMDSRN-DENIHFKCSA-N	-1	0	445.733	6.595	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1	ZINC000252596523	569193259	/nfs/dbraw/zinc/19/32/59/569193259.db2.gz	CJSAZQSUFMDDMC-OAQYLSRUSA-N	-1	0	433.537	5.619	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1	ZINC000252628465	569203667	/nfs/dbraw/zinc/20/36/67/569203667.db2.gz	SQYJYIHTOCYRNH-GOSISDBHSA-N	-1	0	425.901	5.347	50	10		IKCARM
Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2O)cc1	ZINC000239284798	569268757	/nfs/dbraw/zinc/26/87/57/569268757.db2.gz	CBEDKEKWWBISMC-REWPJTCUSA-N	-1	0	435.321	5.705	50	10		IKCARM
COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000248183468	569270638	/nfs/dbraw/zinc/27/06/38/569270638.db2.gz	FZQZREQQVSMDCE-OFNKIYASSA-N	-1	0	441.314	5.950	50	10		IKCARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	ZINC000008884272	569291948	/nfs/dbraw/zinc/29/19/48/569291948.db2.gz	ZSGGPGRCHAGXGR-TVNWYLLRSA-N	-1	0	439.489	5.113	50	10		IKCARM
C[C@@H](c1ccccc1)N1C(=O)[N-]C(=O)C(=Cc2cn(Cc3ccccc3)c3ccccc23)C1=O	ZINC000002442272	569304259	/nfs/dbraw/zinc/30/42/59/569304259.db2.gz	WNFKCNDBNWAEIQ-JWGRYVKWSA-N	-1	0	449.510	5.117	50	10		IKCARM
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(C)c(Cl)c1	ZINC000095471558	569371986	/nfs/dbraw/zinc/37/19/86/569371986.db2.gz	FYQMWKULSYPILJ-JYRVWZFOSA-N	-1	0	429.134	6.327	50	10		IKCARM
CC(C)n1cc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCC2)cn1	ZINC000095476100	569372909	/nfs/dbraw/zinc/37/29/09/569372909.db2.gz	XRNQIVUQXLHZMT-UHFFFAOYSA-N	-1	0	447.495	5.397	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1c(Cl)cccc1Cl	ZINC000095476991	569373200	/nfs/dbraw/zinc/37/32/00/569373200.db2.gz	VVJBDTBELSKYBP-UHFFFAOYSA-N	-1	0	444.274	6.002	50	10		IKCARM
Cn1nccc1-c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCCC1	ZINC000095477648	569373357	/nfs/dbraw/zinc/37/33/57/569373357.db2.gz	LIVJYAUBNONWFT-UHFFFAOYSA-N	-1	0	447.495	5.133	50	10		IKCARM
CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1C(=O)[O-])c1ccccc1O	ZINC000008453770	569465141	/nfs/dbraw/zinc/46/51/41/569465141.db2.gz	HYZKVOQABPJDQM-OAQYLSRUSA-N	-1	0	435.457	6.028	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SC1=S	ZINC000008763595	569474436	/nfs/dbraw/zinc/47/44/36/569474436.db2.gz	KSPKLJYLKOLVHW-ZROIWOOFSA-N	-1	0	442.345	5.319	50	10		IKCARM
CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000008919997	569486435	/nfs/dbraw/zinc/48/64/35/569486435.db2.gz	CONJMRGDCCHTBY-MGNBDDOMSA-N	-1	0	439.408	6.731	50	10		IKCARM
O=C([O-])[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S	ZINC000040567395	569509372	/nfs/dbraw/zinc/50/93/72/569509372.db2.gz	ZSGGPGRCHAGXGR-XLXASQRYSA-N	-1	0	439.489	5.113	50	10		IKCARM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)SC2=S)c1	ZINC000010232900	569579356	/nfs/dbraw/zinc/57/93/56/569579356.db2.gz	SGWJXZSQOOKPQG-WOJGMQOQSA-N	-1	0	425.462	5.190	50	10		IKCARM
CCOc1ccc(N2C(=O)[N-]C(=O)C(=Cc3c4ccccc4cc4ccccc43)C2=O)cc1	ZINC000001225829	132240405	/nfs/dbraw/zinc/24/04/05/132240405.db2.gz	ZRQPVGJNZIISPD-LFVJCYFKSA-N	-1	0	436.467	5.058	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000001273117	132241138	/nfs/dbraw/zinc/24/11/38/132241138.db2.gz	KKBMDVVBOMDLMV-BKUYFWCQSA-N	-1	0	449.963	5.299	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000001276125	132241210	/nfs/dbraw/zinc/24/12/10/132241210.db2.gz	BYPKDJZSXDDIOH-UYRXBGFRSA-N	-1	0	449.963	5.299	50	10		IKCARM
Cc1ccc(Sc2ccc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1	ZINC000001296693	132241381	/nfs/dbraw/zinc/24/13/81/132241381.db2.gz	ZMNVFZSDSAWDOO-PDGQHHTCSA-N	-1	0	438.892	5.899	50	10		IKCARM
CCc1ccc(-n2c(C)cc(C=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)c2C)cc1	ZINC000001301097	132241463	/nfs/dbraw/zinc/24/14/63/132241463.db2.gz	IFHPYKZOWCTJPW-HMAPJEAMSA-N	-1	0	447.922	5.181	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3)C2=O)cc1	ZINC000002222548	132249251	/nfs/dbraw/zinc/24/92/51/132249251.db2.gz	SGLXTYFFVRLTFK-OZHVRZOASA-N	-1	0	427.504	5.557	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc4ccccc43)C2=O)cc1	ZINC000002261193	132250383	/nfs/dbraw/zinc/25/03/83/132250383.db2.gz	LYJKZUWOFHXKTP-KOEQRZSOSA-N	-1	0	449.510	5.123	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000002308879	132251884	/nfs/dbraw/zinc/25/18/84/132251884.db2.gz	AQLWEBUQPBXZJG-LPYMAVHISA-N	-1	0	447.922	5.235	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1c2ccccc2[nH]c1-c1ccccc1	ZINC000002604116	132255261	/nfs/dbraw/zinc/25/52/61/132255261.db2.gz	SENBELCKSJBULL-NBVRZTHBSA-N	-1	0	441.487	5.646	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1	ZINC000006798465	132279051	/nfs/dbraw/zinc/27/90/51/132279051.db2.gz	ZNUAQHKKOQPAIF-WJDWOHSUSA-N	-1	0	441.270	5.228	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1	ZINC000008770884	132293996	/nfs/dbraw/zinc/29/39/96/132293996.db2.gz	ZIRHMKUIXFBOEO-GZTJUZNOSA-N	-1	0	427.243	5.124	50	10		IKCARM
Cc1ccc(C)c(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)c1	ZINC000008834457	132295727	/nfs/dbraw/zinc/29/57/27/132295727.db2.gz	XNSIGROBMDJVNZ-HZHRSRAPSA-N	-1	0	449.510	5.177	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000008974628	132299460	/nfs/dbraw/zinc/29/94/60/132299460.db2.gz	LMZNFBQQYGTXBX-HMAPJEAMSA-N	-1	0	439.446	5.335	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1Cl	ZINC000009075793	132302003	/nfs/dbraw/zinc/30/20/03/132302003.db2.gz	YLVJYIGXLMYBMP-BOPFTXTBSA-N	-1	0	441.270	5.228	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1	ZINC000009076339	132302178	/nfs/dbraw/zinc/30/21/78/132302178.db2.gz	FYFCQYPJTMHBMT-KWPCUBQOSA-N	-1	0	448.906	5.780	50	10		IKCARM
Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)[N-]C1=S	ZINC000009264479	132311659	/nfs/dbraw/zinc/31/16/59/132311659.db2.gz	OSDRWOHDTRPKAZ-GZTJUZNOSA-N	-1	0	437.952	5.015	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1	ZINC000009313164	132313623	/nfs/dbraw/zinc/31/36/23/132313623.db2.gz	VYSVMRBMNWFKAM-NDENLUEZSA-N	-1	0	433.895	5.563	50	10		IKCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1c2ccccc2[nH]c1-c1ccccc1	ZINC000009359695	132314400	/nfs/dbraw/zinc/31/44/00/132314400.db2.gz	CZPVXVSAEPOXQI-XSFVSMFZSA-N	-1	0	441.874	5.155	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000009427491	132316814	/nfs/dbraw/zinc/31/68/14/132316814.db2.gz	FLPQJDNRJBWWKB-GDNBJRDFSA-N	-1	0	445.233	5.059	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1	ZINC000009428396	132316853	/nfs/dbraw/zinc/31/68/53/132316853.db2.gz	QZVCMTZNJSERRS-JTMDUIFQSA-N	-1	0	448.906	5.780	50	10		IKCARM
Cc1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)[N-]C2=S)c1C	ZINC000009805500	132329233	/nfs/dbraw/zinc/32/92/33/132329233.db2.gz	ZHUCAFDHLXNOHJ-LDADJPATSA-N	-1	0	436.920	5.048	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000013749957	132354319	/nfs/dbraw/zinc/35/43/19/132354319.db2.gz	MNPJKTMDXXDGBM-HMAPJEAMSA-N	-1	0	429.545	5.383	50	10		IKCARM
CCc1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C2=O)cc1	ZINC000015659766	523965889	/nfs/dbraw/zinc/96/58/89/523965889.db2.gz	QLWAMXOJWOAAGL-UYRXBGFRSA-N	-1	0	434.879	5.667	50	10		IKCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)o1	ZINC000012407172	525665960	/nfs/dbraw/zinc/66/59/60/525665960.db2.gz	UQRBSUWHXDZPSQ-STZFKDTASA-N	-1	0	449.484	5.069	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000033343266	526090852	/nfs/dbraw/zinc/09/08/52/526090852.db2.gz	UYTQSECKYBBFOO-XKZIYDEJSA-N	-1	0	431.467	5.357	50	10		IKCARM
CCCN1CCCc2cc(C=C3C(=O)[N-]C(=S)N(c4ccc(C(C)C)cc4)C3=O)ccc21	ZINC000013811621	534913522	/nfs/dbraw/zinc/91/35/22/534913522.db2.gz	YXTULPZDMOJEOR-CJLVFECKSA-N	-1	0	447.604	5.644	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	ZINC000012376053	526325475	/nfs/dbraw/zinc/32/54/75/526325475.db2.gz	QORKFCUJENAXDK-RUZDIDTESA-N	-1	0	448.349	7.132	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@@H]21	ZINC000239432931	526358387	/nfs/dbraw/zinc/35/83/87/526358387.db2.gz	WXZHYNIYTFJYOW-QKZKXAEISA-N	-1	0	448.360	6.042	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1	ZINC000001162214	536183764	/nfs/dbraw/zinc/18/37/64/536183764.db2.gz	KJRHBUYULNWPDN-DEDYPNTBSA-N	-1	0	434.879	5.137	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000002230981	536184033	/nfs/dbraw/zinc/18/40/33/536184033.db2.gz	HGFLAVOOYIRUOD-KGENOOAVSA-N	-1	0	433.895	5.259	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1c(Cl)cccc1Cl	ZINC000000640831	555518379	/nfs/dbraw/zinc/51/83/79/555518379.db2.gz	KBYUXRODIFNNHP-GHRIWEEISA-N	-1	0	439.298	5.034	50	10		IKCARM
Cc1c(Cl)cccc1NC(=O)Cn1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000001057789	555614811	/nfs/dbraw/zinc/61/48/11/555614811.db2.gz	RZZUYUVSGHSVGD-UHFFFAOYSA-N	-1	0	431.319	5.426	50	10		IKCARM
CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)c2ccccc2)cc1	ZINC000002069687	555734194	/nfs/dbraw/zinc/73/41/94/555734194.db2.gz	DNUWOFGYGBPULX-UHFFFAOYSA-N	-1	0	427.953	5.669	50	10		IKCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S	ZINC000002276791	555764708	/nfs/dbraw/zinc/76/47/08/555764708.db2.gz	HNIZZXVYVLSUHU-SFQUDFHCSA-N	-1	0	435.954	5.446	50	10		IKCARM
Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)c(C)c1	ZINC000002920438	555863004	/nfs/dbraw/zinc/86/30/04/555863004.db2.gz	CITQHGFIPKNIHN-NDENLUEZSA-N	-1	0	435.526	5.667	50	10		IKCARM
CN(C)c1ccc(/C=C\c2nc3c(c(-c4ccccc4)c2C(=O)[O-])C(=O)c2ccccc2-3)cc1	ZINC000034744855	555897212	/nfs/dbraw/zinc/89/72/12/555897212.db2.gz	KDTRZCKYGUSCNH-VKAVYKQESA-N	-1	0	446.506	5.895	50	10		IKCARM
CCN(CC)c1ccc(/N=N/c2cc(Cl)ccc2Cl)c(NC(=O)CCC(=O)[O-])c1	ZINC000005159037	556034626	/nfs/dbraw/zinc/03/46/26/556034626.db2.gz	DKJDXDIRDMGZGH-OCOZRVBESA-N	-1	0	437.327	6.058	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002755708	556137491	/nfs/dbraw/zinc/13/74/91/556137491.db2.gz	KGXLDPOLPLEHKB-DLBZAZTESA-N	-1	0	447.597	5.360	50	10		IKCARM
CN(C)c1ccc(/C=C/c2nc3c(c(-c4ccccc4)c2C(=O)[O-])C(=O)c2ccccc2-3)cc1	ZINC000008430942	556170812	/nfs/dbraw/zinc/17/08/12/556170812.db2.gz	KDTRZCKYGUSCNH-SAPNQHFASA-N	-1	0	446.506	5.895	50	10		IKCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)CC)C2	ZINC000008454293	556185006	/nfs/dbraw/zinc/18/50/06/556185006.db2.gz	CHMCAONONXEMOV-OAGGEKHMSA-N	-1	0	449.613	5.295	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1c(Cl)cccc1Cl	ZINC000013942004	556338940	/nfs/dbraw/zinc/33/89/40/556338940.db2.gz	KBYUXRODIFNNHP-LGMDPLHJSA-N	-1	0	439.298	5.034	50	10		IKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Cl)c2[O-])N3)C1	ZINC000015947597	556568363	/nfs/dbraw/zinc/56/83/63/556568363.db2.gz	BBSWTDNLAKNTGU-NZFNHWASSA-N	-1	0	427.751	5.423	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccccc1	ZINC000016268602	556596062	/nfs/dbraw/zinc/59/60/62/556596062.db2.gz	VOGXHOXMOYGUMP-UDWIEESQSA-N	-1	0	435.936	5.419	50	10		IKCARM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(c4cccc(F)c4)C3=O)o2)c1	ZINC000016386324	556604565	/nfs/dbraw/zinc/60/45/65/556604565.db2.gz	CHKYZUXRTNIWPO-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1c2ccccc2cc2ccccc12	ZINC000017028415	556653526	/nfs/dbraw/zinc/65/35/26/556653526.db2.gz	NLQHQJNJOCLDRT-HMAPJEAMSA-N	-1	0	426.472	5.804	50	10		IKCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000013915474	556803440	/nfs/dbraw/zinc/80/34/40/556803440.db2.gz	WZELXFFUCZKJAA-BOPFTXTBSA-N	-1	0	441.270	5.758	50	10		IKCARM
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C\c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1	ZINC000096453188	556815641	/nfs/dbraw/zinc/81/56/41/556815641.db2.gz	ZIZQJDWOFVLIMI-WWFUZCLXSA-N	-1	0	439.471	5.499	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000016160942	557025232	/nfs/dbraw/zinc/02/52/32/557025232.db2.gz	NMIUSRFVQQDAHM-BOPFTXTBSA-N	-1	0	441.270	5.758	50	10		IKCARM
Cc1cc(Br)ccc1N1C(=O)C(=Cc2ccc(Cl)s2)C(=O)[N-]C1=S	ZINC000033333118	557117984	/nfs/dbraw/zinc/11/79/84/557117984.db2.gz	XZGMOLQVLYQGPK-XFFZJAGNSA-N	-1	0	441.759	5.144	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@H]21	ZINC000016400851	557151156	/nfs/dbraw/zinc/15/11/56/557151156.db2.gz	FSJSKGPHUKTDIJ-PRXAMGSTSA-N	-1	0	438.243	5.993	50	10		IKCARM
O=C([O-])C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S	ZINC000011565597	557201513	/nfs/dbraw/zinc/20/15/13/557201513.db2.gz	AXEATYUDDIPAIG-HXIRNQQJSA-N	-1	0	438.357	5.411	50	10		IKCARM
O=c1c(C=Nc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000100057371	557239150	/nfs/dbraw/zinc/23/91/50/557239150.db2.gz	CJODOKQNVIWLQR-WQLSENKSSA-N	-1	0	445.184	5.163	50	10		IKCARM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000100148077	557243101	/nfs/dbraw/zinc/24/31/01/557243101.db2.gz	VWXSRBJMGWTPIA-GZTJUZNOSA-N	-1	0	441.270	5.758	50	10		IKCARM
CCC(=Nc1ccc(OC)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100157971	557245228	/nfs/dbraw/zinc/24/52/28/557245228.db2.gz	YVCORNSUYACVMH-SAPNQHFASA-N	-1	0	446.454	5.346	50	10		IKCARM
COc1ccc(-c2nnc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)s2)cc1	ZINC000101113879	557256129	/nfs/dbraw/zinc/25/61/29/557256129.db2.gz	GGZMBTUZMITOTA-XSFVSMFZSA-N	-1	0	441.516	5.085	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)cc3C)c1=O)CCCC2	ZINC000101114200	557256621	/nfs/dbraw/zinc/25/66/21/557256621.db2.gz	SYIUCJNOEWPMIA-QGOAFFKASA-N	-1	0	437.565	5.139	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000100524776	557263278	/nfs/dbraw/zinc/26/32/78/557263278.db2.gz	WLAXUCGCHMJPOO-LRDZBDLTSA-N	-1	0	430.320	5.992	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000101063729	557282071	/nfs/dbraw/zinc/28/20/71/557282071.db2.gz	WYBRPPKMFPQIEU-DUPNKOKHSA-N	-1	0	440.326	5.448	50	10		IKCARM
O=C1[N-]N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1	ZINC000000830934	557289537	/nfs/dbraw/zinc/28/95/37/557289537.db2.gz	LFYXQHFHVZCTQI-UNOMPAQXSA-N	-1	0	439.298	5.034	50	10		IKCARM
O=C1/C(=C/c2c(Cl)cc(Cl)c([O-])c2Cl)SC(=S)N1Cc1ccccc1	ZINC000033385774	557295516	/nfs/dbraw/zinc/29/55/16/557295516.db2.gz	XOXDRGCURUGCDJ-MLPAPPSSSA-N	-1	0	430.765	5.754	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000102572087	557303829	/nfs/dbraw/zinc/30/38/29/557303829.db2.gz	DUQNQDMQHPGZHF-OESNKQGASA-N	-1	0	427.493	5.075	50	10		IKCARM
COc1ccc(-c2nnc(N=Cc3c(C)[n-]n(-c4cccc5ccccc54)c3=O)s2)cc1	ZINC000103785084	557318207	/nfs/dbraw/zinc/31/82/07/557318207.db2.gz	GGZMBTUZMITOTA-ZHZULCJRSA-N	-1	0	441.516	5.085	50	10		IKCARM
Cc1c(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc2n1C	ZINC000033335212	557333539	/nfs/dbraw/zinc/33/35/39/557333539.db2.gz	KSZQETHGWXNBHM-GXDHUFHOSA-N	-1	0	444.343	5.465	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000102495118	557335596	/nfs/dbraw/zinc/33/55/96/557335596.db2.gz	VPKSFORKYBGSFO-WOJGMQOQSA-N	-1	0	441.270	5.758	50	10		IKCARM
CCC(=Nc1ccc(OC)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100157968	557337554	/nfs/dbraw/zinc/33/75/54/557337554.db2.gz	YVCORNSUYACVMH-VKAVYKQESA-N	-1	0	446.454	5.346	50	10		IKCARM
CCOC(=O)c1c(-c2ccccc2)csc1N=Cc1c(C)[n-]n(-c2ccc(C)cc2)c1=O	ZINC000100209367	557367528	/nfs/dbraw/zinc/36/75/28/557367528.db2.gz	APDJNUNRSAQGEI-XSFVSMFZSA-N	-1	0	445.544	5.619	50	10		IKCARM
O=c1c(C=Nc2ccc(Cl)c(Cl)c2)c(C(F)(F)F)[n-]n1-c1ccc([N+](=O)[O-])cc1	ZINC000102874938	557396480	/nfs/dbraw/zinc/39/64/80/557396480.db2.gz	CJODOKQNVIWLQR-XYOKQWHBSA-N	-1	0	445.184	5.163	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C1CC1	ZINC000033447102	557398684	/nfs/dbraw/zinc/39/86/84/557398684.db2.gz	KIBHAMIZIAJHAZ-ZROIWOOFSA-N	-1	0	434.348	5.418	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000016193469	557470609	/nfs/dbraw/zinc/47/06/09/557470609.db2.gz	TUJZBCBYSOLHBZ-UYRXBGFRSA-N	-1	0	445.431	5.232	50	10		IKCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1	ZINC000044827021	557537366	/nfs/dbraw/zinc/53/73/66/557537366.db2.gz	BYRHVBILJBRTSP-KQWNVCNZSA-N	-1	0	436.540	6.196	50	10		IKCARM
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000025869044	568786165	/nfs/dbraw/zinc/78/61/65/568786165.db2.gz	VSJKSWIFEPBVIV-NFBKMPQASA-N	-1	0	425.315	6.250	50	10		IKCARM
Cc1ccc2nc(-c3ccccc3[N-]S(=O)(=O)c3cccc4nsnc43)ccc2c1	ZINC000015868551	568852016	/nfs/dbraw/zinc/85/20/16/568852016.db2.gz	APDKHGBDGFGZFX-UHFFFAOYSA-N	-1	0	432.530	5.016	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000026688202	568906852	/nfs/dbraw/zinc/90/68/52/568906852.db2.gz	SAAVNQLWOVBHQG-GDNBJRDFSA-N	-1	0	441.452	5.031	50	10		IKCARM
O=C([O-])c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4F)o3)SC2=S)c1	ZINC000054360610	568940522	/nfs/dbraw/zinc/94/05/22/568940522.db2.gz	CWYKVRQXVADRCS-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	ZINC000017112557	569174046	/nfs/dbraw/zinc/17/40/46/569174046.db2.gz	BCVYNBUZXJFXJG-ATVHPVEESA-N	-1	0	437.249	5.216	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000252600769	569193641	/nfs/dbraw/zinc/19/36/41/569193641.db2.gz	DUQNQDMQHPGZHF-FQEVSTJZSA-N	-1	0	427.493	5.075	50	10		IKCARM
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000252632379	569204873	/nfs/dbraw/zinc/20/48/73/569204873.db2.gz	VSJKSWIFEPBVIV-OFNKIYASSA-N	-1	0	425.315	6.250	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000252635544	569207928	/nfs/dbraw/zinc/20/79/28/569207928.db2.gz	WYBRPPKMFPQIEU-QGZVFWFLSA-N	-1	0	440.326	5.448	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1ncc(Br)cc1Br	ZINC000002240270	569213466	/nfs/dbraw/zinc/21/34/66/569213466.db2.gz	OATSGEDVVVDABL-UHFFFAOYSA-N	-1	0	426.923	5.231	50	10		IKCARM
Cc1ccc(-c2ccc(/C=C3/C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl	ZINC000002307440	569271968	/nfs/dbraw/zinc/27/19/68/569271968.db2.gz	RDGFBSYLRUUCBY-BOPFTXTBSA-N	-1	0	441.270	5.228	50	10		IKCARM
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S	ZINC000013097554	569309812	/nfs/dbraw/zinc/30/98/12/569309812.db2.gz	ZSGGPGRCHAGXGR-GQEMFKIVSA-N	-1	0	439.489	5.113	50	10		IKCARM
CCOc1ccc(-n2cccc2C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000020210189	569356158	/nfs/dbraw/zinc/35/61/58/569356158.db2.gz	UTRTXVORTQLLOX-ZHZULCJRSA-N	-1	0	435.867	5.036	50	10		IKCARM
CCOc1ccccc1-n1cccc1C=C1C(=O)[N-]C(=O)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000020210242	569356164	/nfs/dbraw/zinc/35/61/64/569356164.db2.gz	HLQZVVSCIQKGGN-AQTBWJFISA-N	-1	0	449.894	5.345	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(SCc2ccco2)o1	ZINC000020238529	569357582	/nfs/dbraw/zinc/35/75/82/569357582.db2.gz	ZKMWJNCMKVMGRK-YBEGLDIGSA-N	-1	0	428.853	5.325	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(Sc2cccc3ccccc32)o1	ZINC000020238517	569357599	/nfs/dbraw/zinc/35/75/99/569357599.db2.gz	GNBFCCYLHDHDBH-HKWRFOASSA-N	-1	0	440.480	6.091	50	10		IKCARM
O=c1[nH]n(C2CCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccc(O)c3)c12	ZINC000095474724	569372603	/nfs/dbraw/zinc/37/26/03/569372603.db2.gz	MACVOVNAIQDNLX-UHFFFAOYSA-N	-1	0	431.448	5.325	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cccc2ccccc21	ZINC000095477319	569373211	/nfs/dbraw/zinc/37/32/11/569373211.db2.gz	PRBLFEHKWYFRHP-UHFFFAOYSA-N	-1	0	425.444	5.849	50	10		IKCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000008819005	569477012	/nfs/dbraw/zinc/47/70/12/569477012.db2.gz	CSIHGNZNMNVYRT-GULXKOIASA-N	-1	0	441.452	5.030	50	10		IKCARM
Cc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1	ZINC000008818997	569477030	/nfs/dbraw/zinc/47/70/30/569477030.db2.gz	CPAAFOKBILMYMB-ACSPXDACSA-N	-1	0	435.526	5.282	50	10		IKCARM
O=C1[N-]C(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000008970279	569492021	/nfs/dbraw/zinc/49/20/21/569492021.db2.gz	UAOZOIQHISAKDT-JCMHNJIXSA-N	-1	0	427.504	5.324	50	10		IKCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CC(=O)Nc2ccccc2C(F)(F)F)cc1	ZINC000009094822	569501207	/nfs/dbraw/zinc/50/12/07/569501207.db2.gz	COYGIQLIWMZHBS-UHFFFAOYSA-N	-1	0	430.426	5.138	50	10		IKCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000051364654	193926712	/nfs/dbraw/zinc/92/67/12/193926712.db2.gz	ABIROKYSYCPCRT-GRRFOWRYSA-N	-1	0	441.452	5.030	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccccc1	ZINC000001789674	132246796	/nfs/dbraw/zinc/24/67/96/132246796.db2.gz	VEZMGJIUDBEMDH-KGENOOAVSA-N	-1	0	429.545	5.383	50	10		IKCARM
COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[N-]C1=S	ZINC000001874271	132247416	/nfs/dbraw/zinc/24/74/16/132247416.db2.gz	JWYBVWCRMPHTKY-XSFVSMFZSA-N	-1	0	445.544	5.083	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1	ZINC000002220011	132249187	/nfs/dbraw/zinc/24/91/87/132249187.db2.gz	FMBIWAUAVADMIQ-WCIBBKAISA-N	-1	0	441.531	5.865	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000002252161	132250221	/nfs/dbraw/zinc/25/02/21/132250221.db2.gz	FKXPDAOUXDUNNI-ZVHZXABRSA-N	-1	0	441.531	5.199	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1	ZINC000002281981	132251268	/nfs/dbraw/zinc/25/12/68/132251268.db2.gz	MEFIPIBPCGUAKQ-LFVJCYFKSA-N	-1	0	449.510	5.123	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccc1C	ZINC000002399074	132253785	/nfs/dbraw/zinc/25/37/85/132253785.db2.gz	LVKHSDSRUQCSGB-NDENLUEZSA-N	-1	0	447.922	5.235	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000008657017	132289303	/nfs/dbraw/zinc/28/93/03/132289303.db2.gz	HPDSKXMSDHYJQR-XKZIYDEJSA-N	-1	0	447.922	5.031	50	10		IKCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1Cl	ZINC000008768244	132293709	/nfs/dbraw/zinc/29/37/09/132293709.db2.gz	XBVPIUXXYGTZTF-XDHOZWIPSA-N	-1	0	449.894	5.014	50	10		IKCARM
Cc1ccccc1N1C(=O)[N-]C(=O)C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C1=O	ZINC000009259625	132311379	/nfs/dbraw/zinc/31/13/79/132311379.db2.gz	HJOHGVPHNSMMCE-ATVHPVEESA-N	-1	0	438.892	5.059	50	10		IKCARM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)c1	ZINC000013687366	132353513	/nfs/dbraw/zinc/35/35/13/132353513.db2.gz	HICBSRPCMSAZDE-IWIPYMOSSA-N	-1	0	449.510	5.813	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc(C)c3)C2=O)cc1	ZINC000013688641	132353584	/nfs/dbraw/zinc/35/35/84/132353584.db2.gz	CXUKZOZNGRYCOE-VKINRBECSA-N	-1	0	441.531	5.025	50	10		IKCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000012465971	520894900	/nfs/dbraw/zinc/89/49/00/520894900.db2.gz	LJJFWRJTXCWPQO-UNOMPAQXSA-N	-1	0	440.377	5.470	50	10		IKCARM
CCN(Cc1ccccc1)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3s2)cc1	ZINC000035103654	521374719	/nfs/dbraw/zinc/37/47/19/521374719.db2.gz	UPROVPLVJSDVDL-PGMHBOJBSA-N	-1	0	428.557	6.338	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	ZINC000012428636	526342383	/nfs/dbraw/zinc/34/23/83/526342383.db2.gz	JLCPQEBHYWSXSS-KEYYUXOJSA-N	-1	0	449.142	5.736	50	10		IKCARM
O=C1[N-]N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000033305978	527081236	/nfs/dbraw/zinc/08/12/36/527081236.db2.gz	KXMVCSXYJYNFBH-XNTDXEJSSA-N	-1	0	433.678	5.368	50	10		IKCARM
O=c1c2ccc([O-])c(CN3CCCC[C@H]3c3cccnc3)c2occ1-c1ccc(Cl)cc1	ZINC000020763359	527462983	/nfs/dbraw/zinc/46/29/83/527462983.db2.gz	GGFIGEDMAZGBAL-QHCPKHFHSA-N	-1	0	446.934	5.941	50	10	biogenic	IKCARM
CCCCc1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c2C)cc1	ZINC000002801050	535082850	/nfs/dbraw/zinc/08/28/50/535082850.db2.gz	WBIBGHFSOVMRPJ-JJIBRWJFSA-N	-1	0	441.531	5.103	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1	ZINC000002220015	536021878	/nfs/dbraw/zinc/02/18/78/536021878.db2.gz	FMBIWAUAVADMIQ-MRSJDWDVSA-N	-1	0	441.531	5.865	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	ZINC000000640826	555518406	/nfs/dbraw/zinc/51/84/06/555518406.db2.gz	JWKIAHBGGPILMU-QGOAFFKASA-N	-1	0	439.298	5.034	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1	ZINC000000640814	555518459	/nfs/dbraw/zinc/51/84/59/555518459.db2.gz	BEDFKBJEQSTTFJ-QGOAFFKASA-N	-1	0	439.298	5.034	50	10		IKCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1	ZINC000002169761	555751836	/nfs/dbraw/zinc/75/18/36/555751836.db2.gz	LFICQEATRHFBGJ-JAIQZWGSSA-N	-1	0	437.448	5.329	50	10		IKCARM
CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc([S-])cc2)C(=O)C1	ZINC000002582292	555788530	/nfs/dbraw/zinc/78/85/30/555788530.db2.gz	IPVCVYHMGXMIFL-UHFFFAOYSA-N	-1	0	426.379	6.351	50	10		IKCARM
CCCCOP(=O)(OCCCC)[C@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1O	ZINC000003878672	555950442	/nfs/dbraw/zinc/95/04/42/555950442.db2.gz	ZQUZYLDEHVQWQB-NRFANRHFSA-N	-1	0	435.457	6.028	50	10		IKCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(C(=O)[O-])cc4)o3)SC2=S)cc1	ZINC000006645254	556099973	/nfs/dbraw/zinc/09/99/73/556099973.db2.gz	FFIQXMCJQFNVID-XDHOZWIPSA-N	-1	0	437.498	5.059	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002754073	556137244	/nfs/dbraw/zinc/13/72/44/556137244.db2.gz	DAPUUHYIPNHVQJ-SJORKVTESA-N	-1	0	449.613	5.584	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002755711	556137431	/nfs/dbraw/zinc/13/74/31/556137431.db2.gz	KGXLDPOLPLEHKB-SJORKVTESA-N	-1	0	447.597	5.360	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002755709	556137476	/nfs/dbraw/zinc/13/74/76/556137476.db2.gz	KGXLDPOLPLEHKB-IAGOWNOFSA-N	-1	0	447.597	5.360	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3\NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)ccc1Cl	ZINC000008430307	556170335	/nfs/dbraw/zinc/17/03/35/556170335.db2.gz	FDQRXRMWZWZIDZ-YVLHZVERSA-N	-1	0	443.242	5.049	50	10		IKCARM
Cc1ccc(NC(=O)c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2[O-])cc1	ZINC000008453621	556184731	/nfs/dbraw/zinc/18/47/31/556184731.db2.gz	ASGMOEHCRKBNLU-UHFFFAOYSA-N	-1	0	437.524	6.292	50	10		IKCARM
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)CC)C2	ZINC000008454296	556185062	/nfs/dbraw/zinc/18/50/62/556185062.db2.gz	CHMCAONONXEMOV-JYJNAYRXSA-N	-1	0	449.613	5.295	50	10		IKCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)CC)C2	ZINC000008454294	556185072	/nfs/dbraw/zinc/18/50/72/556185072.db2.gz	CHMCAONONXEMOV-XHSDSOJGSA-N	-1	0	449.613	5.295	50	10		IKCARM
CCOc1cc(/C=C2\C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1OC(C)C	ZINC000008456110	556185859	/nfs/dbraw/zinc/18/58/59/556185859.db2.gz	HIMJRSYUEJUCBI-ZDLGFXPLSA-N	-1	0	442.899	5.030	50	10		IKCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000008763402	556211776	/nfs/dbraw/zinc/21/17/76/556211776.db2.gz	QQLQLMZZXTVYSS-LIOBOASVSA-N	-1	0	442.345	5.318	50	10		IKCARM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1	ZINC000013687593	556277449	/nfs/dbraw/zinc/27/74/49/556277449.db2.gz	UINRCLRCWIBRRC-XKZIYDEJSA-N	-1	0	439.471	5.093	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1	ZINC000013940648	556338006	/nfs/dbraw/zinc/33/80/06/556338006.db2.gz	CJSAZQSUFMDDMC-WHEOYJBGSA-N	-1	0	433.537	5.619	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl	ZINC000013943498	556340738	/nfs/dbraw/zinc/34/07/38/556340738.db2.gz	RTCYHXFXPIEGKL-UYRXBGFRSA-N	-1	0	439.298	5.034	50	10		IKCARM
COc1ccc(CN(C)Cc2c([O-])ccc3c(=O)c(-c4ccccc4)c(C)oc32)cc1F	ZINC000032869423	556457648	/nfs/dbraw/zinc/45/76/48/556457648.db2.gz	JROZYSBKFYDZIY-UHFFFAOYSA-N	-1	0	433.479	5.254	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1	ZINC000017179872	556671716	/nfs/dbraw/zinc/67/17/16/556671716.db2.gz	RFQLTEGSLXWXMI-PTNGSMBKSA-N	-1	0	443.311	5.925	50	10		IKCARM
Cc1cccc(C)c1-n1cccc1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000013521976	556676149	/nfs/dbraw/zinc/67/61/49/556676149.db2.gz	GYERWAQYRZSXRC-UYRXBGFRSA-N	-1	0	434.542	5.198	50	10		IKCARM
CC1=NN(c2ccccc2)C(=O)/C1=C(\C=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1	ZINC000096453190	556815612	/nfs/dbraw/zinc/81/56/12/556815612.db2.gz	ZIZQJDWOFVLIMI-DDTDMLJBSA-N	-1	0	439.471	5.499	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000020220621	557000396	/nfs/dbraw/zinc/00/03/96/557000396.db2.gz	DAPUUHYIPNHVQJ-DLBZAZTESA-N	-1	0	449.613	5.584	50	10		IKCARM
Cc1ccc(Cl)cc1-c1ccc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)o1	ZINC000033333057	557117971	/nfs/dbraw/zinc/11/79/71/557117971.db2.gz	QLIIKULHWYCXJK-WOJGMQOQSA-N	-1	0	440.883	5.719	50	10		IKCARM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000033334431	557118656	/nfs/dbraw/zinc/11/86/56/557118656.db2.gz	SKWLNMWQXAJQRN-YVLHZVERSA-N	-1	0	443.242	5.049	50	10		IKCARM
Cc1c(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1C	ZINC000033349173	557122192	/nfs/dbraw/zinc/12/21/92/557122192.db2.gz	UGEHHLSPONDJSU-XNTDXEJSSA-N	-1	0	428.275	5.300	50	10		IKCARM
COc1ccc(-n2c(C)c3c(c2C)c([O-])c(N=Nc2ccccc2OC)ccc3=O)cc1	ZINC000098086993	557123512	/nfs/dbraw/zinc/12/35/12/557123512.db2.gz	GOEIJIASPFVUOP-CYYJNZCTSA-N	-1	0	429.476	5.746	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)c(C)c3)c1=O)CCCC2	ZINC000101112582	557256149	/nfs/dbraw/zinc/25/61/49/557256149.db2.gz	BKTAWUBJJQZUCE-CPNJWEJPSA-N	-1	0	437.565	5.139	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000100525052	557263540	/nfs/dbraw/zinc/26/35/40/557263540.db2.gz	LLDJCEOOASJTFF-GEJZQBIKSA-N	-1	0	444.347	6.300	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4cccc(Cl)c4C)c3=O)n2)cc1	ZINC000100524975	557263595	/nfs/dbraw/zinc/26/35/95/557263595.db2.gz	IMXXYFUTBZSCJP-ZFZZVZNFSA-N	-1	0	439.928	5.656	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000102572091	557304135	/nfs/dbraw/zinc/30/41/35/557304135.db2.gz	DUQNQDMQHPGZHF-PBJDEKFSSA-N	-1	0	427.493	5.075	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)cc3C)c1=O)CCCC2	ZINC000102974892	557311288	/nfs/dbraw/zinc/31/12/88/557311288.db2.gz	SYIUCJNOEWPMIA-AQTBWJFISA-N	-1	0	437.565	5.139	50	10		IKCARM
Oc1ccccc1C1=NN2[C@H](C1)c1cc(Br)ccc1O[C@H]2c1ccsc1	ZINC000102005940	557311901	/nfs/dbraw/zinc/31/19/01/557311901.db2.gz	GORQYQJYNCVMMB-XLIONFOSSA-N	-1	0	427.323	5.459	50	10		IKCARM
CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[N-]C1=S	ZINC000033332648	557333564	/nfs/dbraw/zinc/33/35/64/557333564.db2.gz	WSMXKTXSMBTCDC-JCMHNJIXSA-N	-1	0	443.572	5.637	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000033616083	557422243	/nfs/dbraw/zinc/42/22/43/557422243.db2.gz	YSUGJUPTBAILIY-OEAKJJBVSA-N	-1	0	439.471	5.343	50	10		IKCARM
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(C)cc2)N3)cc1	ZINC000107174486	557535065	/nfs/dbraw/zinc/53/50/65/557535065.db2.gz	IBIOMFGDGXSFOT-UMFSSWHCSA-N	-1	0	446.572	5.631	50	10		IKCARM
CCc1ccccc1N=C(C)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000109362638	557553606	/nfs/dbraw/zinc/55/36/06/557553606.db2.gz	BSGGASKKXLCTDW-ATVHPVEESA-N	-1	0	430.455	5.510	50	10		IKCARM
O=S(=O)([N-]c1nc(-c2sccc2Cl)cs1)c1cc(Cl)ccc1Cl	ZINC000001403087	562921732	/nfs/dbraw/zinc/92/17/32/562921732.db2.gz	XZCBMBTUYMYVPQ-UHFFFAOYSA-N	-1	0	425.771	5.633	50	10	aggregator	IKCARM
O=c1c2ccc([O-])c(C[NH+]3CCCCC3)c2oc(C(F)(F)F)c1-c1cccc(Cl)c1	ZINC000001747724	568738439	/nfs/dbraw/zinc/73/84/39/568738439.db2.gz	OJTHAYMCSWJQPV-UHFFFAOYSA-N	-1	0	437.845	5.824	50	10		IKCARM
O=C1[N-]N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000001213435	568739025	/nfs/dbraw/zinc/73/90/25/568739025.db2.gz	OYRXVTUFDMASED-MHWRWJLKSA-N	-1	0	433.678	5.368	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12	ZINC000001406670	568787000	/nfs/dbraw/zinc/78/70/00/568787000.db2.gz	PZEVSSWRIKCQCL-HYARGMPZSA-N	-1	0	442.927	5.478	50	10		IKCARM
O=c1[nH]n(C2CCCCCCC2)c2nc3c4ccc(O)c([O-])c4oc3c(-c3cccnc3)c12	ZINC000085876483	568838345	/nfs/dbraw/zinc/83/83/45/568838345.db2.gz	XIBIMRQJYXUYBR-UHFFFAOYSA-N	-1	0	444.491	5.383	50	10	biogenic	IKCARM
CCOc1cc([N+](=O)[O-])cc(CNc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1[O-]	ZINC000036187700	568970658	/nfs/dbraw/zinc/97/06/58/568970658.db2.gz	WVPMBHAFEWEORF-UHFFFAOYSA-N	-1	0	433.464	5.736	50	10		IKCARM
COc1cc([N+](=O)[O-])cc(CNc2ccc(-c3nc4cc(C(C)(C)C)ccc4o3)cc2)c1[O-]	ZINC000036187704	568970678	/nfs/dbraw/zinc/97/06/78/568970678.db2.gz	HGDAPRMVRIDUHS-UHFFFAOYSA-N	-1	0	447.491	6.027	50	10		IKCARM
O=c1c2ccc([O-])c(CN3CCCC[C@@H]3c3cccnc3)c2occ1-c1ccc(Cl)cc1	ZINC000036569538	569118711	/nfs/dbraw/zinc/11/87/11/569118711.db2.gz	GGFIGEDMAZGBAL-HSZRJFAPSA-N	-1	0	446.934	5.941	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000010435022	569188295	/nfs/dbraw/zinc/18/82/95/569188295.db2.gz	PNLBZHGDVCDDDC-GDNBJRDFSA-N	-1	0	441.452	5.031	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025868975	569189216	/nfs/dbraw/zinc/18/92/16/569189216.db2.gz	XZDKUPMCVMDSRN-KNQAVFIVSA-N	-1	0	445.733	6.595	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21	ZINC000025868971	569189218	/nfs/dbraw/zinc/18/92/18/569189218.db2.gz	XZDKUPMCVMDSRN-SIKLNZKXSA-N	-1	0	445.733	6.595	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000027520665	569218187	/nfs/dbraw/zinc/21/81/87/569218187.db2.gz	USXKRYPZTYJHGX-UCQKPKSFSA-N	-1	0	427.504	5.526	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000027520695	569218305	/nfs/dbraw/zinc/21/83/05/569218305.db2.gz	QICOTCQIKHVHRZ-OEAKJJBVSA-N	-1	0	443.572	5.691	50	10		IKCARM
Cc1ccc(NN=c2c(=O)ccc(=NNc3ccc(S(=O)(=O)[O-])cc3)c2=O)c(C)c1	ZINC000257358293	569263871	/nfs/dbraw/zinc/26/38/71/569263871.db2.gz	SQOXGXCYIDDLGW-UHFFFAOYSA-N	-1	0	426.454	5.792	50	10		IKCARM
Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cc(Br)ccc2O)cc1	ZINC000239284797	569268800	/nfs/dbraw/zinc/26/88/00/569268800.db2.gz	CBEDKEKWWBISMC-OFNKIYASSA-N	-1	0	435.321	5.705	50	10		IKCARM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000020192386	569355825	/nfs/dbraw/zinc/35/58/25/569355825.db2.gz	RYPGBBNCWOMHLF-HAHDFKILSA-N	-1	0	443.572	5.637	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1Cl	ZINC000020238574	569357573	/nfs/dbraw/zinc/35/75/73/569357573.db2.gz	WBOGXWGESHMQND-ATVHPVEESA-N	-1	0	444.940	6.173	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(SC2CCCCC2)o1	ZINC000020238523	569357608	/nfs/dbraw/zinc/35/76/08/569357608.db2.gz	CBFVWYNPRARRBZ-ATVHPVEESA-N	-1	0	430.913	5.865	50	10		IKCARM
CCCCOC(=O)c1cc(NC=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)ccc1Cl	ZINC000095471601	569372035	/nfs/dbraw/zinc/37/20/35/569372035.db2.gz	QXDMDMAJERMSLC-CPNJWEJPSA-N	-1	0	446.334	5.669	50	10		IKCARM
COc1ccccc1-c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCC1	ZINC000095475593	569372762	/nfs/dbraw/zinc/37/27/62/569372762.db2.gz	HNRRKOJQAJOGOM-UHFFFAOYSA-N	-1	0	431.448	5.238	50	10		IKCARM
CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1C(=O)[O-])c1ccccc1O	ZINC000008453769	569465080	/nfs/dbraw/zinc/46/50/80/569465080.db2.gz	HYZKVOQABPJDQM-NRFANRHFSA-N	-1	0	435.457	6.028	50	10		IKCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000008818989	569477003	/nfs/dbraw/zinc/47/70/03/569477003.db2.gz	ABIROKYSYCPCRT-GULXKOIASA-N	-1	0	441.452	5.030	50	10		IKCARM
CC[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S	ZINC000008818988	569477045	/nfs/dbraw/zinc/47/70/45/569477045.db2.gz	ABIROKYSYCPCRT-NCPSJORJSA-N	-1	0	441.452	5.030	50	10		IKCARM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000008920001	569486482	/nfs/dbraw/zinc/48/64/82/569486482.db2.gz	CONJMRGDCCHTBY-YPMLDQLKSA-N	-1	0	439.408	6.731	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	ZINC000008972171	569492802	/nfs/dbraw/zinc/49/28/02/569492802.db2.gz	AHTWDEQYVCMCAK-GHXNOFRVSA-N	-1	0	440.080	5.263	50	10		IKCARM
O=C1[N-]C(=O)N(c2cccc(F)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12	ZINC000008974238	569492861	/nfs/dbraw/zinc/49/28/61/569492861.db2.gz	BWCQTMLPZQOPFK-XKZIYDEJSA-N	-1	0	439.446	5.335	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000009128856	569505555	/nfs/dbraw/zinc/50/55/55/569505555.db2.gz	PNLBZHGDVCDDDC-XNTDXEJSSA-N	-1	0	441.452	5.031	50	10		IKCARM
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4F)o3)SC2=S)c1	ZINC000010232898	569579367	/nfs/dbraw/zinc/57/93/67/569579367.db2.gz	CWYKVRQXVADRCS-WOJGMQOQSA-N	-1	0	425.462	5.190	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1c2ccccc2cc2ccccc21	ZINC000000723624	132229809	/nfs/dbraw/zinc/22/98/09/132229809.db2.gz	AFFUDDFWSUQVHZ-HMAPJEAMSA-N	-1	0	426.859	5.313	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)cc1	ZINC000001160765	132237868	/nfs/dbraw/zinc/23/78/68/132237868.db2.gz	TUJZBCBYSOLHBZ-CPNJWEJPSA-N	-1	0	445.431	5.232	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000001182376	132238840	/nfs/dbraw/zinc/23/88/40/132238840.db2.gz	WPRTXKVCDFDGCQ-RVDMUPIBSA-N	-1	0	426.856	5.411	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000001310318	132241342	/nfs/dbraw/zinc/24/13/42/132241342.db2.gz	QUUZEPZSWHOPJD-BOPFTXTBSA-N	-1	0	426.856	5.411	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(C)cc3)C2=O)cc1	ZINC000008769858	132293715	/nfs/dbraw/zinc/29/37/15/132293715.db2.gz	OUWSMSPRNUFWFI-GXDFBKAQSA-N	-1	0	441.531	5.229	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccccc1OCc1ccccc1Cl	ZINC000008768559	132293736	/nfs/dbraw/zinc/29/37/36/132293736.db2.gz	SGBFOKFFNWJOAV-RGEXLXHISA-N	-1	0	432.863	5.426	50	10		IKCARM
CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)[N-]C2=S)cc1	ZINC000008914574	132297946	/nfs/dbraw/zinc/29/79/46/132297946.db2.gz	RYPGBBNCWOMHLF-HZHRSRAPSA-N	-1	0	443.572	5.637	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(C)n(-c4ccccc4)c3C)C2=O)cc1	ZINC000009076595	132302212	/nfs/dbraw/zinc/30/22/12/132302212.db2.gz	HMELNVRBDFFHHJ-GIKSKMNSSA-N	-1	0	441.531	5.274	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000009357362	132314377	/nfs/dbraw/zinc/31/43/77/132314377.db2.gz	JJWOTRBBDGWIET-YBEGLDIGSA-N	-1	0	445.233	5.899	50	10		IKCARM
C[C@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccccc1	ZINC000009679390	132325577	/nfs/dbraw/zinc/32/55/77/132325577.db2.gz	JSABNVDEHAXQIJ-PZBNQXIHSA-N	-1	0	446.890	5.146	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1	ZINC000013661932	132352639	/nfs/dbraw/zinc/35/26/39/132352639.db2.gz	FMBIWAUAVADMIQ-GJQHCVRFSA-N	-1	0	441.531	5.025	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccccc3C)C2=O)cc1	ZINC000013661935	132352673	/nfs/dbraw/zinc/35/26/73/132352673.db2.gz	FMBIWAUAVADMIQ-WSLHGYQHSA-N	-1	0	441.531	5.025	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3ccc(C)cc3)C2=O)cc1	ZINC000013685382	132353497	/nfs/dbraw/zinc/35/34/97/132353497.db2.gz	OUWSMSPRNUFWFI-UZXDDYOISA-N	-1	0	441.531	5.025	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc(C)c3)C2=O)cc1	ZINC000013688646	132353564	/nfs/dbraw/zinc/35/35/64/132353564.db2.gz	CXUKZOZNGRYCOE-UZXDDYOISA-N	-1	0	441.531	5.025	50	10		IKCARM
Cc1ccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)c3ccccc32)cc1	ZINC000013688180	132353598	/nfs/dbraw/zinc/35/35/98/132353598.db2.gz	SMYSETRPMONZDZ-IWIPYMOSSA-N	-1	0	449.510	5.813	50	10		IKCARM
Cc1cccc(Cn2cc(C=C3C(=O)[N-]C(=O)N(c4ccccc4)C3=O)c3ccccc32)c1	ZINC000013688198	132353615	/nfs/dbraw/zinc/35/36/15/132353615.db2.gz	BUMBYJCOZZWGBZ-HAHDFKILSA-N	-1	0	435.483	5.505	50	10		IKCARM
C[C@@H](Oc1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1)c1ccccc1	ZINC000013893947	132355377	/nfs/dbraw/zinc/35/53/77/132355377.db2.gz	JSABNVDEHAXQIJ-QFNCUCFLSA-N	-1	0	446.890	5.146	50	10		IKCARM
CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(-c2cccc(C(=O)[O-])c2)o1	ZINC000022130531	520895723	/nfs/dbraw/zinc/89/57/23/520895723.db2.gz	XLFWCHROOHQZQJ-UNOMPAQXSA-N	-1	0	440.377	5.470	50	10		IKCARM
CC1=NN(c2ccccc2)C(=O)/C1=C(/C=C/c1cc([N+](=O)[O-])ccc1[O-])c1ccc(C)cc1	ZINC000036033798	520897273	/nfs/dbraw/zinc/89/72/73/520897273.db2.gz	ZIZQJDWOFVLIMI-QULUYXLPSA-N	-1	0	439.471	5.499	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3\NC(=O)N(c4cccc(Cl)c4)C3=O)o2)ccc1Cl	ZINC000008396318	526341154	/nfs/dbraw/zinc/34/11/54/526341154.db2.gz	BNTARNHDZXEHHY-YVLHZVERSA-N	-1	0	443.242	5.049	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@@H]1CC=C[C@@H]21	ZINC000239432930	526358277	/nfs/dbraw/zinc/35/82/77/526358277.db2.gz	WXZHYNIYTFJYOW-BJTMNOAGSA-N	-1	0	448.360	6.042	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000000640835	555518428	/nfs/dbraw/zinc/51/84/28/555518428.db2.gz	WACOCERNFYTPNM-DEDYPNTBSA-N	-1	0	439.298	5.034	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2c(Cl)cccc2Cl)c1	ZINC000000640822	555518456	/nfs/dbraw/zinc/51/84/56/555518456.db2.gz	MDATXUDGEVVEJN-QGOAFFKASA-N	-1	0	439.298	5.034	50	10		IKCARM
O=S(=O)([N-]c1ccccc1SCc1cccc(Cl)c1F)c1cccc2nonc21	ZINC000001030165	555605637	/nfs/dbraw/zinc/60/56/37/555605637.db2.gz	NXAYOSYSONDDIA-UHFFFAOYSA-N	-1	0	449.916	5.108	50	10		IKCARM
Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cccc5nsnc54)cc3)sc2c1	ZINC000001039290	555609345	/nfs/dbraw/zinc/60/93/45/555609345.db2.gz	XOUFKHILCHSTJQ-UHFFFAOYSA-N	-1	0	438.559	5.077	50	10		IKCARM
COc1ccc(CN2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1	ZINC000001146357	555653742	/nfs/dbraw/zinc/65/37/42/555653742.db2.gz	HQOVHZNLEIIJOX-NVNXTCNLSA-N	-1	0	426.346	5.109	50	10		IKCARM
CCOC(=O)c1c(-c2ccccc2)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100209384	555703764	/nfs/dbraw/zinc/70/37/64/555703764.db2.gz	WUSADDIIJHYBTB-RGEXLXHISA-N	-1	0	431.517	5.310	50	10		IKCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)CC)C2	ZINC000002104973	555742948	/nfs/dbraw/zinc/74/29/48/555742948.db2.gz	CHMCAONONXEMOV-ARFHVFGLSA-N	-1	0	449.613	5.295	50	10		IKCARM
COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)SC1=S	ZINC000002833931	555832338	/nfs/dbraw/zinc/83/23/38/555832338.db2.gz	WNXJXDROWLOFBL-UNOMPAQXSA-N	-1	0	437.498	5.059	50	10		IKCARM
CCCCOP(=O)(OCCCC)[C@@H](Nc1ccc(C(=O)[O-])cc1)c1ccccc1O	ZINC000003878673	555950555	/nfs/dbraw/zinc/95/05/55/555950555.db2.gz	ZQUZYLDEHVQWQB-OAQYLSRUSA-N	-1	0	435.457	6.028	50	10		IKCARM
COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(C(=O)[O-])c4)o3)SC2=S)cc1	ZINC000006645261	556099971	/nfs/dbraw/zinc/09/99/71/556099971.db2.gz	QYPQWTWKHXMJRR-XDHOZWIPSA-N	-1	0	437.498	5.059	50	10		IKCARM
CC1(C)Cc2c(cc(-c3ccc(Br)cc3)n2-c2ccc(C(=O)[O-])cc2)C(=O)C1	ZINC000002561612	556111254	/nfs/dbraw/zinc/11/12/54/556111254.db2.gz	XHKQUBQEFFVFMI-UHFFFAOYSA-N	-1	0	438.321	5.760	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)cc3)c1=O)CCCCC2	ZINC000008387476	556162734	/nfs/dbraw/zinc/16/27/34/556162734.db2.gz	RVEYWVSGAXSZJH-RGEXLXHISA-N	-1	0	437.565	5.221	50	10		IKCARM
O=C([O-])c1ccc(Cl)c(-c2ccc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000008400748	556166249	/nfs/dbraw/zinc/16/62/49/556166249.db2.gz	SKWLNMWQXAJQRN-LICLKQGHSA-N	-1	0	443.242	5.049	50	10		IKCARM
O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)c(Cl)c1)C2=O	ZINC000008450184	556181325	/nfs/dbraw/zinc/18/13/25/556181325.db2.gz	UZQHYHADIFWPDV-UHFFFAOYSA-N	-1	0	428.227	5.285	50	10		IKCARM
CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)CC)C2	ZINC000008454295	556185089	/nfs/dbraw/zinc/18/50/89/556185089.db2.gz	CHMCAONONXEMOV-PMPSAXMXSA-N	-1	0	449.613	5.295	50	10		IKCARM
O=C([O-])c1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)C=C2c2ccccc2)cc1	ZINC000009262079	556269297	/nfs/dbraw/zinc/26/92/97/556269297.db2.gz	KFTZCQHKBUJKJW-PDGQHHTCSA-N	-1	0	436.294	6.163	50	10		IKCARM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)cc1Cl	ZINC000013799208	556309713	/nfs/dbraw/zinc/30/97/13/556309713.db2.gz	HSESMEWEGFRHET-SFQUDFHCSA-N	-1	0	436.294	6.163	50	10		IKCARM
O=C(c1ccccc1)c1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl	ZINC000010059721	556323999	/nfs/dbraw/zinc/32/39/99/556323999.db2.gz	ZKUPEOZMYCRHAH-UHFFFAOYSA-N	-1	0	440.735	5.679	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000013898137	556330279	/nfs/dbraw/zinc/33/02/79/556330279.db2.gz	UHQDJRULVUPMAE-UNOMPAQXSA-N	-1	0	439.298	5.034	50	10		IKCARM
O=S(=O)([N-]c1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1F	ZINC000013070481	556453292	/nfs/dbraw/zinc/45/32/92/556453292.db2.gz	CHLWQRYHPDRQJU-UHFFFAOYSA-N	-1	0	444.940	6.070	50	10		IKCARM
O=C1/C(=C\c2cc(Br)cc(Cl)c2[O-])SC(=S)N1Cc1ccccc1	ZINC000015011883	556483427	/nfs/dbraw/zinc/48/34/27/556483427.db2.gz	MEBSIBKKJYGWIC-VGOFMYFVSA-N	-1	0	440.771	5.210	50	10		IKCARM
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)[O-])c(Cl)c2)o1	ZINC000013473742	556507621	/nfs/dbraw/zinc/50/76/21/556507621.db2.gz	HRJJDUQGAXPDCP-WQRHYEAKSA-N	-1	0	441.270	5.758	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3/C=C(c4ccc(Cl)cc4)OC3=O)o2)cc1Cl	ZINC000022135268	556577882	/nfs/dbraw/zinc/57/78/82/556577882.db2.gz	PKUNPSFPUFPCRD-ZROIWOOFSA-N	-1	0	427.239	5.933	50	10		IKCARM
O=C([O-])c1cc(Br)cc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	ZINC000016429238	556607281	/nfs/dbraw/zinc/60/72/81/556607281.db2.gz	YCWQSERZYUZDGC-KEYYUXOJSA-N	-1	0	449.142	5.736	50	10		IKCARM
CC(C)COc1ccc(C=C2C(=O)[N-]C(=S)N(c3ccccc3F)C2=O)c2ccccc12	ZINC000033717633	556626461	/nfs/dbraw/zinc/62/64/61/556626461.db2.gz	HZOBDRWPYAWISP-UYRXBGFRSA-N	-1	0	448.519	5.685	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000020220620	557000378	/nfs/dbraw/zinc/00/03/78/557000378.db2.gz	DAPUUHYIPNHVQJ-IAGOWNOFSA-N	-1	0	449.613	5.584	50	10		IKCARM
[O-]c1c(Br)cc(Br)cc1CN1CC=C(c2ccc(F)cc2)CC1	ZINC000023279928	557081779	/nfs/dbraw/zinc/08/17/79/557081779.db2.gz	ALSOWWDWZNMFGK-UHFFFAOYSA-N	-1	0	441.138	5.346	50	10		IKCARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)C1=Cc1cccc(OCc2cccc(F)c2)c1	ZINC000033313370	557098334	/nfs/dbraw/zinc/09/83/34/557098334.db2.gz	XVEFAHOJFHNJSZ-STZFKDTASA-N	-1	0	432.476	5.076	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000033332248	557117595	/nfs/dbraw/zinc/11/75/95/557117595.db2.gz	PBPKAYPEINPQMU-UNOMPAQXSA-N	-1	0	439.298	5.034	50	10		IKCARM
CC(=O)c1ccc(-c2ccc(C=C3C(=O)[N-]C(=S)N(c4ccccc4C)C3=O)o2)cc1	ZINC000033334455	557118998	/nfs/dbraw/zinc/11/89/98/557118998.db2.gz	DHMSNEDKEGYFFS-UYRXBGFRSA-N	-1	0	430.485	5.129	50	10		IKCARM
CN1C(=O)[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O	ZINC000033343247	557121953	/nfs/dbraw/zinc/12/19/53/557121953.db2.gz	RIHXDGFQTGFDHI-QJOMJCCJSA-N	-1	0	447.494	5.743	50	10		IKCARM
Cc1[n-]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2ccc(C)c(C)c2)N=C1C	ZINC000033343385	557122317	/nfs/dbraw/zinc/12/23/17/557122317.db2.gz	HFWFPZLTYQMKJC-HZHRSRAPSA-N	-1	0	436.515	5.462	50	10		IKCARM
COc1cc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(O)c1O	ZINC000097993180	557187631	/nfs/dbraw/zinc/18/76/31/557187631.db2.gz	KHTUCWZDSWCPBS-QOBZYLRHSA-N	-1	0	433.504	5.502	50	10		IKCARM
COc1cc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)[O-])cc(O)c1O	ZINC000097993179	557187649	/nfs/dbraw/zinc/18/76/49/557187649.db2.gz	KHTUCWZDSWCPBS-TYWAAFNRSA-N	-1	0	433.504	5.502	50	10		IKCARM
Cc1ccc(NC(=O)c2c3c(sc2[N-]S(=O)(=O)c2ccc(C)cc2)CCCC3)cc1	ZINC000018173764	557245593	/nfs/dbraw/zinc/24/55/93/557245593.db2.gz	KRSUOCFVFPDRDP-UHFFFAOYSA-N	-1	0	440.590	5.297	50	10		IKCARM
CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)sc2c1CCCC2	ZINC000101112492	557256210	/nfs/dbraw/zinc/25/62/10/557256210.db2.gz	ICEAPJRSKQAHBI-SFQUDFHCSA-N	-1	0	443.956	5.176	50	10		IKCARM
CCOC(=O)c1c(N=Cc2c(C)[n-]n(-c3ccc(Cl)cc3)c2=O)sc2c1CCCC2	ZINC000100500786	557262412	/nfs/dbraw/zinc/26/24/12/557262412.db2.gz	BWLNDJAKXONLHO-ATVHPVEESA-N	-1	0	443.956	5.176	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000100524943	557263338	/nfs/dbraw/zinc/26/33/38/557263338.db2.gz	DPVZOEULWYGDQL-GSWFEHRJSA-N	-1	0	430.320	5.992	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1Cl	ZINC000100525048	557263586	/nfs/dbraw/zinc/26/35/86/557263586.db2.gz	LLDJCEOOASJTFF-PZPYUUCDSA-N	-1	0	444.347	6.300	50	10		IKCARM
COc1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(OCc4ccc(C)cc4)cc3)C2=O)cc1	ZINC000033420099	557396289	/nfs/dbraw/zinc/39/62/89/557396289.db2.gz	QWWQGDIZEOPDSR-HAHDFKILSA-N	-1	0	442.471	5.089	50	10		IKCARM
O=c1c(C=Nc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1ccc(OC(F)(F)F)cc1	ZINC000100409019	557402056	/nfs/dbraw/zinc/40/20/56/557402056.db2.gz	FIJNFDHGRWEUGQ-NTEUORMPSA-N	-1	0	449.738	5.500	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1C1CCCCC1	ZINC000033621085	557424147	/nfs/dbraw/zinc/42/41/47/557424147.db2.gz	GHPSWXBCDQINGO-DEDYPNTBSA-N	-1	0	425.529	5.421	50	10		IKCARM
CCc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4cc(Cl)ccc4C)o3)C2=O)cc1	ZINC000016193617	557470573	/nfs/dbraw/zinc/47/05/73/557470573.db2.gz	KJRHBUYULNWPDN-MOSHPQCFSA-N	-1	0	434.879	5.137	50	10		IKCARM
[O-]c1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCCN1Cc1ccccc1	ZINC000019330158	557499162	/nfs/dbraw/zinc/49/91/62/557499162.db2.gz	BUESZENJDFVXHB-UHFFFAOYSA-N	-1	0	427.375	6.106	50	10		IKCARM
Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cc(Cl)cc(Cl)c2[O-])cc1	ZINC000025869038	568786097	/nfs/dbraw/zinc/78/60/97/568786097.db2.gz	VSJKSWIFEPBVIV-NZQKXSOJSA-N	-1	0	425.315	6.250	50	10		IKCARM
CC(C)Oc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C(C)C)cc1	ZINC000085876067	568838177	/nfs/dbraw/zinc/83/81/77/568838177.db2.gz	AFTZQBLMDCEOME-UHFFFAOYSA-N	-1	0	433.464	5.070	50	10	biogenic	IKCARM
CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)CC)C2	ZINC000169619964	568883540	/nfs/dbraw/zinc/88/35/40/568883540.db2.gz	CHMCAONONXEMOV-BZUAXINKSA-N	-1	0	449.613	5.295	50	10		IKCARM
CCOc1ccc2ccccc2c1/C=C1\SC(=S)N(c2cccc(C(=O)[O-])c2)C1=O	ZINC000013058538	568892634	/nfs/dbraw/zinc/89/26/34/568892634.db2.gz	NCFKPDBLUFSNCS-MOSHPQCFSA-N	-1	0	435.526	5.343	50	10		IKCARM
O=c1c2ccc([O-])c(CN(Cc3ccccc3)Cc3ccccc3)c2occ1-c1ccccc1	ZINC000054219545	568926960	/nfs/dbraw/zinc/92/69/60/568926960.db2.gz	BJCDAVFTHUQPDX-UHFFFAOYSA-N	-1	0	447.534	6.368	50	10	biogenic	IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4c(C)cc(C)cc4C)c3=O)n2)cc1	ZINC000252596522	569193316	/nfs/dbraw/zinc/19/33/16/569193316.db2.gz	CJSAZQSUFMDDMC-NRFANRHFSA-N	-1	0	433.537	5.619	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(Cl)ccc1Cl	ZINC000252600256	569193425	/nfs/dbraw/zinc/19/34/25/569193425.db2.gz	DPVZOEULWYGDQL-KRWDZBQOSA-N	-1	0	430.320	5.992	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1cc(-c2ccccc2)n[nH]1	ZINC000252600770	569193680	/nfs/dbraw/zinc/19/36/80/569193680.db2.gz	DUQNQDMQHPGZHF-HXUWFJFHSA-N	-1	0	427.493	5.075	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1	ZINC000002252273	569214303	/nfs/dbraw/zinc/21/43/03/569214303.db2.gz	WMLYDIJGRFEQPV-GZTJUZNOSA-N	-1	0	441.270	6.069	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21	ZINC000239432932	569268890	/nfs/dbraw/zinc/26/88/90/569268890.db2.gz	WXZHYNIYTFJYOW-SLEIARFRSA-N	-1	0	448.360	6.042	50	10		IKCARM
Cc1cc(/C=C2/c3ccccc3N(c3ccccc3)C2=O)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000013138332	569311709	/nfs/dbraw/zinc/31/17/09/569311709.db2.gz	WQJMUIQFTZPGDZ-UQQQWYQISA-N	-1	0	434.495	6.011	50	10		IKCARM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)[N-]C(=O)N([C@@H](C)c3ccccc3)C2=O)o1	ZINC000020238466	569357502	/nfs/dbraw/zinc/35/75/02/569357502.db2.gz	SDSPCQIJGZJSFK-HYTQYMIGSA-N	-1	0	445.431	5.227	50	10		IKCARM
COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCC2)cc1	ZINC000095477854	569373384	/nfs/dbraw/zinc/37/33/84/569373384.db2.gz	AIRCXSCRYNZKGB-UHFFFAOYSA-N	-1	0	431.448	5.238	50	10		IKCARM
O=S(=O)([N-]c1nc(-c2ccc(Cl)s2)cs1)c1c(Cl)cccc1Cl	ZINC000002637454	569413281	/nfs/dbraw/zinc/41/32/81/569413281.db2.gz	PUCGNLPDAOCPSL-UHFFFAOYSA-N	-1	0	425.771	5.633	50	10		IKCARM
Cc1cc(O)c(Sc2nc3ccccc3s2)cc1[N-]S(=O)(=O)c1cccs1	ZINC000008870424	569480641	/nfs/dbraw/zinc/48/06/41/569480641.db2.gz	SMYNVVZRKORKRR-UHFFFAOYSA-N	-1	0	434.589	5.324	50	10		IKCARM
CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000008920008	569486470	/nfs/dbraw/zinc/48/64/70/569486470.db2.gz	CONJMRGDCCHTBY-XTZNXHDOSA-N	-1	0	439.408	6.731	50	10		IKCARM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1	ZINC000009232306	569513778	/nfs/dbraw/zinc/51/37/78/569513778.db2.gz	FDYOEXQPQLLQGQ-WLRTZDKTSA-N	-1	0	434.728	5.897	50	10		IKCARM
CCCCCCc1cc2c(cc1OCc1cc(C(=O)[O-])oc1C)oc(=O)c1c2CCCC1	ZINC000009731369	569564542	/nfs/dbraw/zinc/56/45/42/569564542.db2.gz	MIWAUWXYMFAREM-UHFFFAOYSA-N	-1	0	438.520	5.973	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c2ccccc2cc2ccccc21	ZINC000002051738	132247687	/nfs/dbraw/zinc/24/76/87/132247687.db2.gz	AFFUDDFWSUQVHZ-HYARGMPZSA-N	-1	0	426.859	5.313	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000002198739	132248684	/nfs/dbraw/zinc/24/86/84/132248684.db2.gz	UJWBISMYNHUKSX-GZTJUZNOSA-N	-1	0	437.795	5.015	50	10		IKCARM
Cc1cc(/C=C2/C(=O)[N-]C(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccc(C)cc1	ZINC000002394070	132253573	/nfs/dbraw/zinc/25/35/73/132253573.db2.gz	ZWQIVBBFJVJUOZ-MTJSOVHGSA-N	-1	0	447.922	5.031	50	10		IKCARM
O=C1[N-]C(=O)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccccc1OCc1ccccc1	ZINC000002968885	132260021	/nfs/dbraw/zinc/26/00/21/132260021.db2.gz	JEJMBQUOEHYKKD-DEDYPNTBSA-N	-1	0	432.863	5.426	50	10		IKCARM
O=C([O-])c1ccc(Nc2cc(N3CCCCC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1	ZINC000003742019	132267862	/nfs/dbraw/zinc/26/78/62/132267862.db2.gz	QSYMYCTXVJLDQE-UHFFFAOYSA-N	-1	0	439.471	5.471	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CC=C[C@H]1[C@@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008443282	132282095	/nfs/dbraw/zinc/28/20/95/132282095.db2.gz	LWUPMVGMGQEQBX-MSBWEVJISA-N	-1	0	448.360	6.042	50	10		IKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CC=C[C@@H]1[C@H](c1ccc(Br)cc1)N3C[C@H]1CC=C[C@H]21	ZINC000008443285	132282102	/nfs/dbraw/zinc/28/21/02/132282102.db2.gz	LWUPMVGMGQEQBX-WPUDHWPRSA-N	-1	0	448.360	6.042	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000008817223	132294868	/nfs/dbraw/zinc/29/48/68/132294868.db2.gz	OLJHGXWRAHIUTB-BKUYFWCQSA-N	-1	0	449.963	5.299	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C)c(C)c1	ZINC000008997238	132300181	/nfs/dbraw/zinc/30/01/81/132300181.db2.gz	GBDYHGFPZJPSBN-ZVHZXABRSA-N	-1	0	441.531	5.199	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1	ZINC000009066372	132301703	/nfs/dbraw/zinc/30/17/03/132301703.db2.gz	WMLYDIJGRFEQPV-BOPFTXTBSA-N	-1	0	441.270	5.228	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccccc4Cl)o3)C2=O)cc1	ZINC000009076340	132302190	/nfs/dbraw/zinc/30/21/90/132302190.db2.gz	FYFCQYPJTMHBMT-CPOQMQJTSA-N	-1	0	448.906	5.780	50	10		IKCARM
CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccc4)o3)C(=O)[N-]C2=S)cc1	ZINC000009262616	132311512	/nfs/dbraw/zinc/31/15/12/132311512.db2.gz	OHVOFPPEONIYGM-ZHZULCJRSA-N	-1	0	448.569	5.386	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1	ZINC000009428566	132316861	/nfs/dbraw/zinc/31/68/61/132316861.db2.gz	OTSGBYTWBOUUEP-JTMDUIFQSA-N	-1	0	448.906	5.780	50	10		IKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000013897222	132355406	/nfs/dbraw/zinc/35/54/06/132355406.db2.gz	AVXSNWOQUAJGIE-WJDWOHSUSA-N	-1	0	437.795	5.015	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1	ZINC000013940512	132355457	/nfs/dbraw/zinc/35/54/57/132355457.db2.gz	QMSZGOKXNWRTFE-PDGQHHTCSA-N	-1	0	438.892	5.059	50	10		IKCARM
Cc1ccc(Cl)cc1-c1ccc(/C=C2\C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)o1	ZINC000014010727	132355790	/nfs/dbraw/zinc/35/57/90/132355790.db2.gz	UBFJHUJBQABRAO-WOJGMQOQSA-N	-1	0	441.270	5.228	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000009659342	520892891	/nfs/dbraw/zinc/89/28/91/520892891.db2.gz	SFVRJPWNVAZKMP-UNOMPAQXSA-N	-1	0	440.377	5.470	50	10		IKCARM
CC[C@@H](C)c1ccc(-c2csc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3)n2)cc1	ZINC000012521099	522426393	/nfs/dbraw/zinc/42/63/93/522426393.db2.gz	LQZOCFIXSKEFNQ-CQSZACIVSA-N	-1	0	429.567	5.083	50	10		IKCARM
Cc1c(C(=O)[O-])cccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1	ZINC000033293935	525664863	/nfs/dbraw/zinc/66/48/63/525664863.db2.gz	FOQIRFZXAPGBQP-JAIQZWGSSA-N	-1	0	437.448	5.329	50	10		IKCARM
S=C(NN=c1nc(-c2ccccc2)c(-c2ccccc2)n[n-]1)Nc1ccc(Cl)cc1	ZINC000000642502	555518937	/nfs/dbraw/zinc/51/89/37/555518937.db2.gz	SYIOTGPTRFOMQH-UHFFFAOYSA-N	-1	0	432.940	5.173	50	10		IKCARM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1	ZINC000001013027	555602294	/nfs/dbraw/zinc/60/22/94/555602294.db2.gz	MNHNTPCRFZAVRE-JAIQZWGSSA-N	-1	0	437.448	5.329	50	10		IKCARM
O=C([O-])CCCCCN1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S	ZINC000001805117	555717248	/nfs/dbraw/zinc/71/72/48/555717248.db2.gz	QKGYQYGCEPXQGO-SFQUDFHCSA-N	-1	0	435.954	5.446	50	10		IKCARM
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3cccs3)c3ccccc3c2O)cc1	ZINC000002184842	555755272	/nfs/dbraw/zinc/75/52/72/555755272.db2.gz	XMDCWYSVDPQTDM-UHFFFAOYSA-N	-1	0	427.572	5.867	50	10		IKCARM
O=C([O-])CN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S	ZINC000002832995	555832062	/nfs/dbraw/zinc/83/20/62/555832062.db2.gz	QJOKGSGICJCVFI-QLKAYGNNSA-N	-1	0	448.736	5.193	50	10		IKCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1C(F)(F)F	ZINC000002991668	555875167	/nfs/dbraw/zinc/87/51/67/555875167.db2.gz	OCUKOJUZSNFVFQ-UHFFFAOYSA-N	-1	0	438.243	5.943	50	10		IKCARM
O=S(=O)([N-]c1nc(-c2ccccc2Cl)cs1)c1ccc(Br)cc1	ZINC000002763039	556135667	/nfs/dbraw/zinc/13/56/67/556135667.db2.gz	FBFMKKIVNBXQGY-UHFFFAOYSA-N	-1	0	429.748	5.027	50	10		IKCARM
COC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCCCCCCCCC2	ZINC000002754072	556137233	/nfs/dbraw/zinc/13/72/33/556137233.db2.gz	DAPUUHYIPNHVQJ-IRXDYDNUSA-N	-1	0	449.613	5.584	50	10		IKCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S	ZINC000008763403	556211709	/nfs/dbraw/zinc/21/17/09/556211709.db2.gz	QQLQLMZZXTVYSS-MGMWDDNKSA-N	-1	0	442.345	5.318	50	10		IKCARM
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S	ZINC000008765658	556212358	/nfs/dbraw/zinc/21/23/58/556212358.db2.gz	QUSZZJKYNCWHHJ-SDXDJHTJSA-N	-1	0	440.030	6.137	50	10		IKCARM
O=C1/C(=C\c2c(Cl)cc(Cl)c([O-])c2Cl)SC(=S)N1Cc1ccccc1	ZINC000009310300	556278833	/nfs/dbraw/zinc/27/88/33/556278833.db2.gz	XOXDRGCURUGCDJ-AWNIVKPZSA-N	-1	0	430.765	5.754	50	10		IKCARM
CCC(C)(C)c1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)cc2)cc1	ZINC000009371726	556286445	/nfs/dbraw/zinc/28/64/45/556286445.db2.gz	WMDZFWFNMYWLHA-UHFFFAOYSA-N	-1	0	429.472	5.665	50	10		IKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc(C)c3)C2=O)cc1	ZINC000013894831	556328621	/nfs/dbraw/zinc/32/86/21/556328621.db2.gz	CXUKZOZNGRYCOE-GXDFBKAQSA-N	-1	0	441.531	5.229	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1	ZINC000013896052	556329210	/nfs/dbraw/zinc/32/92/10/556329210.db2.gz	WACOCERNFYTPNM-MOSHPQCFSA-N	-1	0	439.298	5.034	50	10		IKCARM
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1	ZINC000033293936	556559628	/nfs/dbraw/zinc/55/96/28/556559628.db2.gz	RLVLLHSPPCNWIO-JAIQZWGSSA-N	-1	0	437.448	5.329	50	10		IKCARM
CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1cc(C(=O)[O-])ccc1C	ZINC000015930697	556565080	/nfs/dbraw/zinc/56/50/80/556565080.db2.gz	PZQHVCHJQQWLOY-JYRVWZFOSA-N	-1	0	438.698	5.372	50	10		IKCARM
O=C([O-])c1cccc(-c2ccc(/C=C3\SC(=S)N(c4ccc(F)cc4)C3=O)o2)c1	ZINC000016192857	556588738	/nfs/dbraw/zinc/58/87/38/556588738.db2.gz	QSUMEOAMVFQGOZ-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(=O)[O-])c2)o1	ZINC000016312096	556599785	/nfs/dbraw/zinc/59/97/85/556599785.db2.gz	RFZOWOCYQVLWLZ-XDHOZWIPSA-N	-1	0	434.879	5.721	50	10		IKCARM
Cc1ccc(N2[N-]C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1C	ZINC000016312213	556599873	/nfs/dbraw/zinc/59/98/73/556599873.db2.gz	ZGUONYVJLQXCMX-BOPFTXTBSA-N	-1	0	427.287	5.332	50	10		IKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3cccn3Cc3cccc(C)c3)C2=O)cc1	ZINC000017112265	556667826	/nfs/dbraw/zinc/66/78/26/556667826.db2.gz	CXUKZOZNGRYCOE-JWGRYVKWSA-N	-1	0	441.531	5.229	50	10		IKCARM
CCN(CCCC(=O)[O-])c1ccc(/N=N/c2ccc(/N=N/c3ccccc3C)cc2C)cc1	ZINC000526051552	556675713	/nfs/dbraw/zinc/67/57/13/556675713.db2.gz	LGMARXXYARYKSC-ZKIWJVNISA-N	-1	0	443.551	7.825	50	10		IKCARM
CCCCN1CCc2cc(C=C3C(=O)[N-]C(=S)N(c4ccc(C)c(C)c4)C3=O)ccc21	ZINC000017251576	557043155	/nfs/dbraw/zinc/04/31/55/557043155.db2.gz	QFDZYJOYENYHJO-RCCKNPSSSA-N	-1	0	433.577	5.138	50	10		IKCARM
CC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S	ZINC000051364657	557069168	/nfs/dbraw/zinc/06/91/68/557069168.db2.gz	CSIHGNZNMNVYRT-MLJKTZRHSA-N	-1	0	441.452	5.030	50	10		IKCARM
Cc1cc(C=C2C(=O)[N-]C(=O)N(C3CCCC3)C2=O)c(C)n1-c1cc(Cl)cc(Cl)c1	ZINC000033305848	557084242	/nfs/dbraw/zinc/08/42/42/557084242.db2.gz	RMOVFYFDKAOTRU-UFWORHAWSA-N	-1	0	446.334	5.646	50	10		IKCARM
O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	ZINC000000640817	557123840	/nfs/dbraw/zinc/12/38/40/557123840.db2.gz	UHQDJRULVUPMAE-XDHOZWIPSA-N	-1	0	439.298	5.034	50	10		IKCARM
[O-]c1c2oc3c(nc4n[nH]cc4c3-c3ccc(OCCc4ccccc4)cc3)c2ccc1O	ZINC000218427246	557199055	/nfs/dbraw/zinc/19/90/55/557199055.db2.gz	GMXJHEFIZAUOMW-UHFFFAOYSA-N	-1	0	437.455	5.557	50	10		IKCARM
CC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	ZINC000100147390	557243116	/nfs/dbraw/zinc/24/31/16/557243116.db2.gz	YHNYKAIEQFPZPL-XDHOZWIPSA-N	-1	0	434.536	5.492	50	10		IKCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1	ZINC000100502016	557262258	/nfs/dbraw/zinc/26/22/58/557262258.db2.gz	AOPWQBCSUXLRKN-GDNBJRDFSA-N	-1	0	430.320	5.230	50	10		IKCARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1	ZINC000100502623	557262646	/nfs/dbraw/zinc/26/26/46/557262646.db2.gz	NXVMSMNOTHUIBK-YBEGLDIGSA-N	-1	0	444.347	5.539	50	10		IKCARM
CC(=Nc1cccc(Cl)c1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100094539	557285788	/nfs/dbraw/zinc/28/57/88/557285788.db2.gz	ZBIQQMYJVYSRSX-GDNBJRDFSA-N	-1	0	436.846	5.601	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1nc2ccccc2s1	ZINC000101932037	557306913	/nfs/dbraw/zinc/30/69/13/557306913.db2.gz	HLQXXDXFEOAFAB-PZPYUUCDSA-N	-1	0	432.534	5.603	50	10		IKCARM
Cc1cc2c(cc1C)N[C@H](c1cc(Cl)cc(Cl)c1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000102493011	557335367	/nfs/dbraw/zinc/33/53/67/557335367.db2.gz	XIHRFAHMXWJTOI-OAQYLSRUSA-N	-1	0	431.363	7.187	50	10		IKCARM
Cc1cc2c(cc1C)N[C@@H](c1cc(Cl)cc(Cl)c1[O-])C1=C(CC(C)(C)CC1=O)N2	ZINC000102493006	557335376	/nfs/dbraw/zinc/33/53/76/557335376.db2.gz	XIHRFAHMXWJTOI-NRFANRHFSA-N	-1	0	431.363	7.187	50	10		IKCARM
CCOC(=O)c1c2c(sc1N=Cc1c(C)[n-]n(-c3ccc(C)cc3)c1=O)CCCCC2	ZINC000102658376	557362017	/nfs/dbraw/zinc/36/20/17/557362017.db2.gz	RVEYWVSGAXSZJH-XMHGGMMESA-N	-1	0	437.565	5.221	50	10		IKCARM
CCOC(=O)c1c(-c2ccccc2)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100209387	557367479	/nfs/dbraw/zinc/36/74/79/557367479.db2.gz	WUSADDIIJHYBTB-XMHGGMMESA-N	-1	0	431.517	5.310	50	10		IKCARM
CCOC(=O)c1c(-c2ccc(C)cc2)csc1N=Cc1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100209377	557367510	/nfs/dbraw/zinc/36/75/10/557367510.db2.gz	KPPSLOPPLQGBNL-ZHZULCJRSA-N	-1	0	445.544	5.619	50	10		IKCARM
COc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(OCc3ccc(C)cc3)cc2)C1=O	ZINC000033420310	557396279	/nfs/dbraw/zinc/39/62/79/557396279.db2.gz	ZBNPYGOHLACHTI-JCMHNJIXSA-N	-1	0	442.471	5.089	50	10		IKCARM
COc1ccc(-c2csc([N-]S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1F	ZINC000060950993	557398377	/nfs/dbraw/zinc/39/83/77/557398377.db2.gz	LHGZPYHRJCEVEK-UHFFFAOYSA-N	-1	0	433.313	5.065	50	10		IKCARM
CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(C(=O)[O-])cc2)cc1	ZINC000100326577	557399534	/nfs/dbraw/zinc/39/95/34/557399534.db2.gz	JQFHVIXDOTUIRX-JJIBRWJFSA-N	-1	0	440.499	5.550	50	10		IKCARM
O=C([O-])CCCN1C(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)SC1=S	ZINC000033568315	557411701	/nfs/dbraw/zinc/41/17/01/557411701.db2.gz	ICANFXDIMLZIQX-NTEUORMPSA-N	-1	0	442.345	5.319	50	10		IKCARM
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1C	ZINC000015799807	557464095	/nfs/dbraw/zinc/46/40/95/557464095.db2.gz	SJUXJWFFNMLFMB-NDENLUEZSA-N	-1	0	445.431	5.287	50	10		IKCARM
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@@H](c2ccc(F)cc2)N3)cc1C	ZINC000107173398	557535147	/nfs/dbraw/zinc/53/51/47/557535147.db2.gz	SHAOQNRSKRYIJH-MVERNJQCSA-N	-1	0	448.563	6.070	50	10		IKCARM
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)c1	ZINC000001188666	568736344	/nfs/dbraw/zinc/73/63/44/568736344.db2.gz	LUWCUPRGFBFBEV-WOJGMQOQSA-N	-1	0	441.917	5.704	50	10		IKCARM
O=C1[N-]C(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000001187032	568736358	/nfs/dbraw/zinc/73/63/58/568736358.db2.gz	UAFAIDWCGKMWBB-NTEUORMPSA-N	-1	0	431.231	5.349	50	10		IKCARM
COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)[N-]C1=S	ZINC000001287728	568777434	/nfs/dbraw/zinc/77/74/34/568777434.db2.gz	JWYBVWCRMPHTKY-ZHZULCJRSA-N	-1	0	445.544	5.083	50	10		IKCARM
COc1ccc(-c2c3oc4c(ccc(O)c4[O-])c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1	ZINC000085875746	568838172	/nfs/dbraw/zinc/83/81/72/568838172.db2.gz	HKBMUQFABHUAGB-UHFFFAOYSA-N	-1	0	445.475	5.216	50	10	biogenic	IKCARM
O=C(N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1[O-])C1CCCCC1	ZINC000016213894	568873116	/nfs/dbraw/zinc/87/31/16/568873116.db2.gz	HILDICTWZVGPGX-FQEVSTJZSA-N	-1	0	439.899	5.288	50	10		IKCARM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc43)SC2=S)cc1	ZINC000001746495	568904140	/nfs/dbraw/zinc/90/41/40/568904140.db2.gz	KGUCSOFZIAPWJK-HMAPJEAMSA-N	-1	0	441.533	6.097	50	10		IKCARM
CCOc1cc(/C=C2/C(=O)N(c3ccc(C(=O)[O-])cc3)N=C2C)cc(Cl)c1OC(C)C	ZINC000016688291	568938755	/nfs/dbraw/zinc/93/87/55/568938755.db2.gz	HIMJRSYUEJUCBI-VCHYOVAHSA-N	-1	0	442.899	5.030	50	10		IKCARM
O=C([O-])c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)SC2=S)cc1	ZINC000054360612	568940509	/nfs/dbraw/zinc/94/05/09/568940509.db2.gz	VYCPNTRVJQUEOI-WQRHYEAKSA-N	-1	0	425.462	5.190	50	10		IKCARM
O=C([O-])c1cc(-c2ccc(/C=C3/C=C(c4ccc(Cl)cc4)OC3=O)o2)ccc1Cl	ZINC000036081895	568946827	/nfs/dbraw/zinc/94/68/27/568946827.db2.gz	FIKIFWWGHOWYTK-ZROIWOOFSA-N	-1	0	427.239	5.933	50	10		IKCARM
CCN(CC)c1ccc(N=Nc2nccs2)c([N-]S(=O)(=O)c2ccc(C)cc2)c1	ZINC000252617731	569197764	/nfs/dbraw/zinc/19/77/64/569197764.db2.gz	KZACORBSIVSIEM-UHFFFAOYSA-N	-1	0	429.571	5.514	50	10		IKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OCc3ccccc3)cc1)N2	ZINC000037613802	569203069	/nfs/dbraw/zinc/20/30/69/569203069.db2.gz	UJBODOYKWBPKKC-NMMYMHLASA-N	-1	0	431.919	6.444	50	10		IKCARM
COc1ccc(-c2csc(-n3[n-]c(C)c(N=Nc4ccc(Cl)cc4)c3=O)n2)cc1	ZINC000252628466	569203671	/nfs/dbraw/zinc/20/36/71/569203671.db2.gz	SQYJYIHTOCYRNH-SFHVURJKSA-N	-1	0	425.901	5.347	50	10		IKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000252635543	569207988	/nfs/dbraw/zinc/20/79/88/569207988.db2.gz	WYBRPPKMFPQIEU-KRWDZBQOSA-N	-1	0	440.326	5.448	50	10		IKCARM
COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(Cl)c(C(=O)[O-])c3)C2=O)cc1	ZINC000027519442	569217954	/nfs/dbraw/zinc/21/79/54/569217954.db2.gz	QXWURBAUMIEJCV-QGOAFFKASA-N	-1	0	431.875	5.518	50	10		IKCARM
O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1	ZINC000002449948	569304858	/nfs/dbraw/zinc/30/48/58/569304858.db2.gz	PPBVNMBBBKDIDH-GZTJUZNOSA-N	-1	0	441.270	5.120	50	10		IKCARM
Cc1ccc(-c2coc(-c3cccc([N-]S(=O)(=O)c4cccc5nsnc54)c3)n2)cc1	ZINC000013359185	569313837	/nfs/dbraw/zinc/31/38/37/569313837.db2.gz	JGHHIEHAMFAHKJ-UHFFFAOYSA-N	-1	0	448.529	5.123	50	10		IKCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=Cc3ccc(SC4CCCCC4)o3)C2=O)cc1	ZINC000020238499	569357571	/nfs/dbraw/zinc/35/75/71/569357571.db2.gz	ZXIOUTOODJHVMF-AQTBWJFISA-N	-1	0	426.494	5.220	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)cc1Cl	ZINC000095475643	569372791	/nfs/dbraw/zinc/37/27/91/569372791.db2.gz	MXKKNSDRSCJCAX-UHFFFAOYSA-N	-1	0	427.819	5.488	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1cc(F)c(F)c(F)c1	ZINC000095477275	569373135	/nfs/dbraw/zinc/37/31/35/569373135.db2.gz	VEYSKOXPZVMXNN-UHFFFAOYSA-N	-1	0	429.354	5.113	50	10		IKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2-c1ccc(F)c(F)c1F	ZINC000095477125	569373237	/nfs/dbraw/zinc/37/32/37/569373237.db2.gz	OQTOHPCOWZCZNR-UHFFFAOYSA-N	-1	0	429.354	5.113	50	10		IKCARM
Cc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2C=CC[C@@H]2[C@H](c2ccc(F)cc2)N3)cc1C	ZINC000008606731	569469351	/nfs/dbraw/zinc/46/93/51/569469351.db2.gz	SHAOQNRSKRYIJH-UMFSSWHCSA-N	-1	0	448.563	6.070	50	10		IKCARM
CC1=NN(c2cccc(C(=O)[O-])c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	ZINC000008780901	569475619	/nfs/dbraw/zinc/47/56/19/569475619.db2.gz	YVGLAIVFIRFRAO-BOPFTXTBSA-N	-1	0	441.270	5.758	50	10		IKCARM
O=C1C=CC(Oc2ncc(Cl)cc2Cl)=CC1=NNc1cccc(S(=O)(=O)[O-])c1	ZINC000009183445	569509873	/nfs/dbraw/zinc/50/98/73/569509873.db2.gz	HACAJBRWHYOXLN-QURGRASLSA-N	-1	0	440.264	5.548	50	10		IKCARM
COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)cc1Cl	ZINC000009232744	569513759	/nfs/dbraw/zinc/51/37/59/569513759.db2.gz	FPGUXLPKWAUZRN-NSIKDUERSA-N	-1	0	446.764	5.767	50	10		IKCARM
O=C([O-])c1ccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1	ZINC000009296436	569520482	/nfs/dbraw/zinc/52/04/82/569520482.db2.gz	ZCWZIIGPOOJCMM-WOJGMQOQSA-N	-1	0	441.917	5.704	50	10		IKCARM