smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000004081453	290670650	/nfs/dbraw/zinc/67/06/50/290670650.db2.gz	MQYXUWHLBZFQQO-BQCGOYODSA-N	0	0	426.729	8.025	50	30	biogenic,in-vitro	IKEARN
COc1ccc(Br)cc1-c1nc(COc2ccc(C#N)cc2OC)cs1	ZINC000012804216	121308180	/nfs/dbraw/zinc/30/81/80/121308180.db2.gz	GOYMDCOTXGOCHO-UHFFFAOYSA-N	0	0	431.311	5.040	50	30		IKEARN
CCN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(F)cc2)C1=O	ZINC000102144316	123570279	/nfs/dbraw/zinc/57/02/79/123570279.db2.gz	OBWRFYOVKSJAFR-NPGCFZLRSA-N	0	0	447.560	6.395	50	30		IKEARN
Cc1ccccc1C(=NS(=O)(=O)c1ccc(Br)cc1)Nc1ccccc1	ZINC000006168916	193887798	/nfs/dbraw/zinc/88/77/98/193887798.db2.gz	NDIZGRQJLRJAJX-UHFFFAOYSA-N	0	0	429.339	5.005	50	30		IKEARN
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n1	ZINC000006177753	193888456	/nfs/dbraw/zinc/88/84/56/193888456.db2.gz	QAVGOCZZKVGYNY-BUBBNXEVSA-N	0	0	437.531	5.094	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(Cl)cc2)CC1	ZINC000000632302	132228183	/nfs/dbraw/zinc/22/81/83/132228183.db2.gz	XPHYUPWVHUQVMC-UHFFFAOYSA-N	0	0	429.955	5.210	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)n1	ZINC000000691010	132229420	/nfs/dbraw/zinc/22/94/20/132229420.db2.gz	GKFBVCFBFCUTNX-UHFFFAOYSA-N	0	0	437.977	6.145	50	30		IKEARN
C[C@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1	ZINC000000688336	132229453	/nfs/dbraw/zinc/22/94/53/132229453.db2.gz	XPSXZBKURPIYAJ-INIZCTEOSA-N	0	0	443.597	6.000	50	30		IKEARN
CCCc1cc(N2CCN(c3cccc(Cl)c3)CC2)n2c3ccccc3nc2c1C#N	ZINC000001472975	132245910	/nfs/dbraw/zinc/24/59/10/132245910.db2.gz	HZCZTCLDLAILOH-UHFFFAOYSA-N	0	0	429.955	5.292	50	30		IKEARN
S=C(NN=C1c2ccccc2-c2ccccc21)NC1c2ccccc2Oc2ccccc21	ZINC000001951319	518203812	/nfs/dbraw/zinc/20/38/12/518203812.db2.gz	GGXDCRIDRICOHY-UHFFFAOYSA-N	0	0	433.536	5.779	50	30		IKEARN
C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1ccccc1F)C2	ZINC000012191596	518251929	/nfs/dbraw/zinc/25/19/29/518251929.db2.gz	YIDFQIOOKBTSOB-UHFFFAOYSA-N	0	0	435.520	5.300	50	30		IKEARN
CC(=O)c1cc(C#N)c(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)nc1C	ZINC000012793702	518253634	/nfs/dbraw/zinc/25/36/34/518253634.db2.gz	TZCSIHVRHXGKEJ-UHFFFAOYSA-N	0	0	439.556	5.057	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O	ZINC000008984622	518264633	/nfs/dbraw/zinc/26/46/33/518264633.db2.gz	HMIZZPZCZKYDCR-HZHRSRAPSA-N	0	0	429.497	5.097	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O	ZINC000013895083	518265174	/nfs/dbraw/zinc/26/51/74/518265174.db2.gz	ZHMHTLPHAAKZPY-LICLKQGHSA-N	0	0	436.291	5.381	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000002164800	518317418	/nfs/dbraw/zinc/31/74/18/518317418.db2.gz	ZLOQDEMQFPTAIE-YVLHZVERSA-N	0	0	434.300	5.255	50	30		IKEARN
C#Cc1cccc(NC(=O)CSc2nc3c(c(/C=C\c4ccccc4)c2C#N)CCC3)c1	ZINC000012370020	518363478	/nfs/dbraw/zinc/36/34/78/518363478.db2.gz	UKNUZPZNGZQFMW-PFONDFGASA-N	0	0	435.552	5.324	50	30		IKEARN
c1ccc(Nc2nc(N=NCc3ccc4ccccc4c3)nc(Nc3ccccc3)n2)cc1	ZINC000023550118	518376020	/nfs/dbraw/zinc/37/60/20/518376020.db2.gz	BYBWEFGYDAXGQI-OVVQPSECSA-N	0	0	431.503	5.958	50	30		IKEARN
c1sc(N=NCc2c(OCc3ccccc3)ccc3ccccc32)nc1-c1ccccc1	ZINC000012285068	518377052	/nfs/dbraw/zinc/37/70/52/518377052.db2.gz	JSIXWYSIJCQBSD-OGLMXYFKSA-N	0	0	435.552	6.988	50	30		IKEARN
c1ccc(Oc2cccc(CN=Nc3nnc(-c4ccccc4)c(-c4ccccc4)n3)c2)cc1	ZINC000009331252	518377854	/nfs/dbraw/zinc/37/78/54/518377854.db2.gz	SCOPQLAKHUHVSQ-ZTKZIYFRSA-N	0	0	443.510	6.444	50	30		IKEARN
C/C(=N/OCc1ccc(C#N)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843449	518455376	/nfs/dbraw/zinc/45/53/76/518455376.db2.gz	IKUJVWVZVVTAAZ-GTWSWNCMSA-N	0	0	437.518	6.713	50	30		IKEARN
C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C	ZINC000035843372	518456550	/nfs/dbraw/zinc/45/65/50/518456550.db2.gz	OOORRRANWPXXFS-MIXAMLLLSA-N	0	0	432.926	7.186	50	30		IKEARN
C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C	ZINC000035843443	518457720	/nfs/dbraw/zinc/45/77/20/518457720.db2.gz	YLSRXAAFUYSOPU-OFWBYEQRSA-N	0	0	426.535	7.149	50	30		IKEARN
C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C	ZINC000035843422	518457996	/nfs/dbraw/zinc/45/79/96/518457996.db2.gz	KMTRVHAUZQJQBN-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000012342949	518459118	/nfs/dbraw/zinc/45/91/18/518459118.db2.gz	ZPMUQRJHSHASDR-VNSNFZHPSA-N	0	0	438.358	5.761	50	30		IKEARN
C/C(=N\N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1	ZINC000033679687	518460804	/nfs/dbraw/zinc/46/08/04/518460804.db2.gz	AOSPMPNFGJAMCT-HKGWMZNFSA-N	0	0	438.383	6.838	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cl)c(Cl)c1	ZINC000035653446	518467430	/nfs/dbraw/zinc/46/74/30/518467430.db2.gz	WUSLPFZLFSUQPD-NUGSKGIGSA-N	0	0	431.175	7.260	50	30		IKEARN
C/C(=N\Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc2c(ccc3ccccc32)oc1=O	ZINC000027520373	518467680	/nfs/dbraw/zinc/46/76/80/518467680.db2.gz	PBQWFUJNUPEGTJ-MZJWZYIUSA-N	0	0	445.931	6.559	50	30		IKEARN
Cc1nnc(N=NC(C)c2ccc(Cl)cc2)nc1N=NC(C)c1ccc(Cl)cc1	ZINC000009970910	518468781	/nfs/dbraw/zinc/46/87/81/518468781.db2.gz	SPHQJWXMLNENRF-DWGHPKEWSA-N	0	0	428.327	5.159	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@](C)(CC)OC3	ZINC000002305115	518625120	/nfs/dbraw/zinc/62/51/20/518625120.db2.gz	RJTBMKBGGHPUKJ-QHCPKHFHSA-N	0	0	426.607	5.665	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2	ZINC000001784006	518625687	/nfs/dbraw/zinc/62/56/87/518625687.db2.gz	BWGOAKXXXQUWAN-UHFFFAOYSA-N	0	0	444.600	5.944	50	30		IKEARN
C=C(C)CSc1nnc(SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)s1	ZINC000039976026	518627336	/nfs/dbraw/zinc/62/73/36/518627336.db2.gz	ARYUMAQZFJAVMX-LJQANCHMSA-N	0	0	441.647	5.399	50	30		IKEARN
C=C(C)Cn1c(SC/C=C(/C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3	ZINC000002308182	518639000	/nfs/dbraw/zinc/63/90/00/518639000.db2.gz	ZWJBTYOPCGVZIP-UVTDQMKNSA-N	0	0	429.010	6.034	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000001747637	518640201	/nfs/dbraw/zinc/64/02/01/518640201.db2.gz	BJPLPZMWITYWRJ-UHFFFAOYSA-N	0	0	428.601	6.147	50	30	biogenic	IKEARN
C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1	ZINC000071928318	518643890	/nfs/dbraw/zinc/64/38/90/518643890.db2.gz	NRLHFCLKMFBIIK-CCLHPLFOSA-N	0	0	438.011	6.607	50	30		IKEARN
C=C(C)[C@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1	ZINC000022023242	518644288	/nfs/dbraw/zinc/64/42/88/518644288.db2.gz	NRLHFCLKMFBIIK-DCFHFQCYSA-N	0	0	438.011	6.607	50	30		IKEARN
C=CCCC(=O)N1CCOc2c(cc(-c3cccc(Cl)c3)cc2OCc2ccco2)C1	ZINC000012244661	518694144	/nfs/dbraw/zinc/69/41/44/518694144.db2.gz	JPTNHYZDMAJJOJ-UHFFFAOYSA-N	0	0	437.923	5.866	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccco2)Cc2ccc(C)s2)o1	ZINC000036203521	518698812	/nfs/dbraw/zinc/69/88/12/518698812.db2.gz	YGHHAKBWDATVNZ-UHFFFAOYSA-N	0	0	425.594	6.565	50	30		IKEARN
C=CCN(C(=O)C1C[C@H]2CC[C@@H](C1)C21SCCS1)c1nc(-c2ccccc2)cs1	ZINC000014229469	518730196	/nfs/dbraw/zinc/73/01/96/518730196.db2.gz	CBKMHAHHWHKFTJ-YQQQUEKLSA-N	0	0	442.675	5.942	50	30		IKEARN
C=CCN(C(=O)c1ccc(C#N)cc1)c1nc(-c2ccc(OC)c3ccccc23)cs1	ZINC000003350565	518737921	/nfs/dbraw/zinc/73/79/21/518737921.db2.gz	NWFJKLDXXVVUBL-UHFFFAOYSA-N	0	0	425.513	5.676	50	30		IKEARN
C=CCN(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(=O)Nc1ccccc1CC	ZINC000035766378	518745476	/nfs/dbraw/zinc/74/54/76/518745476.db2.gz	JKRLMWFOSWMMPA-UHFFFAOYSA-N	0	0	431.536	5.091	50	30		IKEARN
C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000009994665	518767192	/nfs/dbraw/zinc/76/71/92/518767192.db2.gz	MZAPZNQSLWJYLY-INIZCTEOSA-N	0	0	442.650	6.027	50	30		IKEARN
C=CCN(CCc1ccccc1)C(=O)c1nc(CC)n(-c2c(Cl)cccc2Cl)n1	ZINC000060302713	518773802	/nfs/dbraw/zinc/77/38/02/518773802.db2.gz	PNLPUOPXGGMLEP-UHFFFAOYSA-N	0	0	429.351	5.007	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3F)c(Cl)c2)SC1=S	ZINC000012629723	518827262	/nfs/dbraw/zinc/82/72/62/518827262.db2.gz	RNOCWFLRPCOQEB-BOPFTXTBSA-N	0	0	433.913	5.086	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1	ZINC000013879988	518846526	/nfs/dbraw/zinc/84/65/26/518846526.db2.gz	RQYTZFCFQAGKKK-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
C=CCN1c2ccccc2C(c2cn(C)c3ccccc32)(c2cn(C)c3ccccc32)C1=O	ZINC000008398367	518877647	/nfs/dbraw/zinc/87/76/47/518877647.db2.gz	YLEVXVOCCSLZLX-UHFFFAOYSA-N	0	0	431.539	5.537	50	30		IKEARN
C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(/Sc1ccc(Cl)cc1)c1ccccc1	ZINC000017282221	518880882	/nfs/dbraw/zinc/88/08/82/518880882.db2.gz	BCCVPYSEHREEFF-FCQUAONHSA-N	0	0	448.975	5.533	50	30		IKEARN
CC(C)(C)Oc1ccc(C[C@@H](C=O)NC(=O)OCC2c3ccccc3-c3ccccc32)cc1	ZINC000096179335	518891060	/nfs/dbraw/zinc/89/10/60/518891060.db2.gz	QCTFVRXYCSNFDR-FQEVSTJZSA-N	0	0	443.543	5.513	50	30		IKEARN
C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095139	518912116	/nfs/dbraw/zinc/91/21/16/518912116.db2.gz	CUNYULOBYNDRQS-XHCCPWGMSA-N	0	0	449.554	5.379	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3c(Cl)cccc3Cl)sc2C1	ZINC000035109743	518943824	/nfs/dbraw/zinc/94/38/24/518943824.db2.gz	AEFNJFRNTLIMGK-ASCRHOAZSA-N	0	0	433.404	6.729	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc(O)c(OC)c2)cc1OCC	ZINC000012865705	519000443	/nfs/dbraw/zinc/00/04/43/519000443.db2.gz	WMMRJZMTMJQSQJ-SOFGYWHQSA-N	0	0	433.298	5.023	50	30		IKEARN
C=CCOc1ccc(/C=C(\C(=O)c2ccc(OCC)cc2)c2nc3ccccc3s2)cc1	ZINC000027018248	519010250	/nfs/dbraw/zinc/01/02/50/519010250.db2.gz	BEYRWXBXCGKPOC-PTGBLXJZSA-N	0	0	441.552	6.683	50	30		IKEARN
CC(C)(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1	ZINC000013656296	519012621	/nfs/dbraw/zinc/01/26/21/519012621.db2.gz	IQRUMJSJJLPXDB-MYYYXRDXSA-N	0	0	442.511	5.723	50	30		IKEARN
CC(C)(C)c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1	ZINC000008739947	519012726	/nfs/dbraw/zinc/01/27/26/519012726.db2.gz	SEOOWLFRCFIBHY-OVVQPSECSA-N	0	0	437.551	6.102	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(CC)cc3)NC2=O)cc1Br	ZINC000016161383	519014945	/nfs/dbraw/zinc/01/49/45/519014945.db2.gz	SAOLDZFRNIJFBY-UYRXBGFRSA-N	0	0	443.366	5.468	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009472351	519023006	/nfs/dbraw/zinc/02/30/06/519023006.db2.gz	BHJIBJSFOXOHQP-JOCHJYFZSA-N	0	0	449.890	5.276	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009969609	519024735	/nfs/dbraw/zinc/02/47/35/519024735.db2.gz	SYGILBHLEIZYAT-QFIPXVFZSA-N	0	0	449.890	5.276	50	30		IKEARN
C=CCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)cc1	ZINC000016753910	519027813	/nfs/dbraw/zinc/02/78/13/519027813.db2.gz	QDLPTNRLWOEUAK-UHFFFAOYSA-N	0	0	437.496	5.131	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1	ZINC000009216354	519029977	/nfs/dbraw/zinc/02/99/77/519029977.db2.gz	GWNCCVGLRPMTRM-XCZPVHLTSA-N	0	0	440.543	6.281	50	30		IKEARN
C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1	ZINC000102681237	519044594	/nfs/dbraw/zinc/04/45/94/519044594.db2.gz	LYFJQNSFHABRNL-AHWVRZQESA-N	0	0	430.935	6.456	50	30		IKEARN
C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1	ZINC000036352124	519044616	/nfs/dbraw/zinc/04/46/16/519044616.db2.gz	LYFJQNSFHABRNL-RSXGOPAZSA-N	0	0	430.935	6.456	50	30		IKEARN
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1	ZINC000020891211	519044881	/nfs/dbraw/zinc/04/48/81/519044881.db2.gz	MDQJWAGFKBFPFY-NRFANRHFSA-N	0	0	448.573	5.130	50	30		IKEARN
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1	ZINC000020892383	519045266	/nfs/dbraw/zinc/04/52/66/519045266.db2.gz	BBCGQJBABSMVJK-NRFANRHFSA-N	0	0	425.941	5.174	50	30		IKEARN
C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1	ZINC000012192573	519049042	/nfs/dbraw/zinc/04/90/42/519049042.db2.gz	LYFJQNSFHABRNL-AOYPEHQESA-N	0	0	430.935	6.456	50	30		IKEARN
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2nc3ccccc3s2)cc1	ZINC000020891215	519049598	/nfs/dbraw/zinc/04/95/98/519049598.db2.gz	MDQJWAGFKBFPFY-OAQYLSRUSA-N	0	0	448.573	5.130	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000013570404	519049580	/nfs/dbraw/zinc/04/95/80/519049580.db2.gz	WFQNFNYXSFIFKB-QFIPXVFZSA-N	0	0	446.934	5.815	50	30		IKEARN
C=CCOc1ccc2c(c1)C(N=Nc1ccsc1C(=O)OC)c1cc(OCC=C)ccc1-2	ZINC000020615551	519049850	/nfs/dbraw/zinc/04/98/50/519049850.db2.gz	VVRGCACTRUYYPV-UHFFFAOYSA-N	0	0	446.528	5.509	50	30		IKEARN
C=CCOc1ccccc1[C@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1	ZINC000033271470	519073682	/nfs/dbraw/zinc/07/36/82/519073682.db2.gz	RDSDHBQRIHOBTQ-QGZVFWFLSA-N	0	0	430.533	5.138	50	30		IKEARN
C=CCSc1ccccc1NC(=O)CSc1nnc(Nc2ccccc2OC)s1	ZINC000023054823	519077852	/nfs/dbraw/zinc/07/78/52/519077852.db2.gz	DRXFDEOWYKGBNI-UHFFFAOYSA-N	0	0	444.607	5.299	50	30		IKEARN
CC(C)(C)c1csc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)n1	ZINC000012367053	519078403	/nfs/dbraw/zinc/07/84/03/519078403.db2.gz	ONCUBHSOJFKTNQ-OPEKNORGSA-N	0	0	448.470	6.481	50	30		IKEARN
C=CCSc1nnc(-c2nnc(SCC=C)n2-c2ccccc2)n1-c1ccccc1	ZINC000002701969	519084773	/nfs/dbraw/zinc/08/47/73/519084773.db2.gz	DIADNKYQFUVIQG-UHFFFAOYSA-N	0	0	432.578	5.071	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000012402395	519085835	/nfs/dbraw/zinc/08/58/35/519085835.db2.gz	UFQDBJPXIVEBOS-ZDUSSCGKSA-N	0	0	431.608	5.041	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2	ZINC000002073655	519092497	/nfs/dbraw/zinc/09/24/97/519092497.db2.gz	KTYFTAHHIRPSFF-QFIPXVFZSA-N	0	0	428.517	5.482	50	30		IKEARN
C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O	ZINC000017167005	519126402	/nfs/dbraw/zinc/12/64/02/519126402.db2.gz	DOXZLRUSQVIDQR-ODLFYWEKSA-N	0	0	428.941	5.373	50	30		IKEARN
C=CCc1cc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)cc(OCC)c1O	ZINC000017299716	519126604	/nfs/dbraw/zinc/12/66/04/519126604.db2.gz	RXUJJYLQCCASHP-ODLFYWEKSA-N	0	0	444.940	5.073	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)nn(CN(C)Cc2nc3ccccc3s2)c1=S	ZINC000012993331	519148049	/nfs/dbraw/zinc/14/80/49/519148049.db2.gz	KEVVZJJHWYMPOJ-UHFFFAOYSA-N	0	0	442.013	5.620	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1F	ZINC000101425162	519148886	/nfs/dbraw/zinc/14/88/86/519148886.db2.gz	NYERKWMLQMHCRD-SGEDCAFJSA-N	0	0	443.547	6.335	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=O)c1ccc(F)cc1	ZINC000001465350	519154286	/nfs/dbraw/zinc/15/42/86/519154286.db2.gz	WLRZYXGJCPDRBP-UHFFFAOYSA-N	0	0	426.494	5.018	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1cc3ccccc3o1)sc1c2CCCC1	ZINC000000678341	519156973	/nfs/dbraw/zinc/15/69/73/519156973.db2.gz	TUDRXMCSWKCLAT-UHFFFAOYSA-N	0	0	436.558	5.244	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C	ZINC000012542091	519171207	/nfs/dbraw/zinc/17/12/07/519171207.db2.gz	AQQAZXFQQYWAEM-UHFFFAOYSA-N	0	0	429.589	5.858	50	30		IKEARN
C=CCn1c(CNC(=O)c2cccs2)nnc1SCc1ccc(Cl)cc1Cl	ZINC000008682777	519181912	/nfs/dbraw/zinc/18/19/12/519181912.db2.gz	XNFVFHWAYAFTOI-UHFFFAOYSA-N	0	0	439.393	5.055	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1C	ZINC000009479361	519183977	/nfs/dbraw/zinc/18/39/77/519183977.db2.gz	RLERXAIBUPHBSO-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1	ZINC000002446756	519188668	/nfs/dbraw/zinc/18/86/68/519188668.db2.gz	BOESGQXQAXTDCE-UHFFFAOYSA-N	0	0	441.556	5.685	50	30		IKEARN
C=CCn1c(CSCc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1	ZINC000012379137	519191019	/nfs/dbraw/zinc/19/10/19/519191019.db2.gz	HEVBSKFUNNBVNH-UHFFFAOYSA-N	0	0	445.013	5.282	50	30		IKEARN
C=CCn1c(SC2CCCC2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1	ZINC000012954075	519197871	/nfs/dbraw/zinc/19/78/71/519197871.db2.gz	GYDSZTRUTNJHHW-UHFFFAOYSA-N	0	0	440.520	5.135	50	30		IKEARN
C=CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1ccoc1C	ZINC000032946274	519202906	/nfs/dbraw/zinc/20/29/06/519202906.db2.gz	KFXLDPURZGAPTH-HNNXBMFYSA-N	0	0	440.594	5.042	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H](C)c2cccc3ccccc32)nnc1C1CCCCC1	ZINC000014069088	519209459	/nfs/dbraw/zinc/20/94/59/519209459.db2.gz	RPGIOVUKWCYEEQ-GOSISDBHSA-N	0	0	434.609	5.635	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009261470	519209654	/nfs/dbraw/zinc/20/96/54/519209654.db2.gz	AFXVEHLHXHVVBO-YOEHRIQHSA-N	0	0	444.988	5.318	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1OC	ZINC000002206409	519212739	/nfs/dbraw/zinc/21/27/39/519212739.db2.gz	OAJORYSCEOSTNZ-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002444756	519215192	/nfs/dbraw/zinc/21/51/92/519215192.db2.gz	BYDIPKQVEHVZHB-UHFFFAOYSA-N	0	0	438.572	5.607	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1Cl	ZINC000002453721	519218882	/nfs/dbraw/zinc/21/88/82/519218882.db2.gz	CJTCLKREEGPQPM-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1F	ZINC000001078520	519221357	/nfs/dbraw/zinc/22/13/57/519221357.db2.gz	CDYCKGHBPGOWND-UHFFFAOYSA-N	0	0	436.434	5.020	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(C)cc1	ZINC000003323489	519224258	/nfs/dbraw/zinc/22/42/58/519224258.db2.gz	HDZUYLPPPUYYAE-UHFFFAOYSA-N	0	0	440.572	5.837	50	30		IKEARN
C=CCn1c(SCCOc2ccccc2OC)nnc1-c1cc2cccc(OC)c2o1	ZINC000009289737	519235385	/nfs/dbraw/zinc/23/53/85/519235385.db2.gz	PFEZJMWSCNGXLL-UHFFFAOYSA-N	0	0	437.521	5.066	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)N[C@@H](C)CC)cc2)nnc1-c1ccccc1Cl	ZINC000037398173	519238774	/nfs/dbraw/zinc/23/87/74/519238774.db2.gz	CQIRTIWPQCPQCF-INIZCTEOSA-N	0	0	441.000	5.605	50	30		IKEARN
C=CCn1c(SCc2ccccc2C(F)(F)F)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847674	519245990	/nfs/dbraw/zinc/24/59/90/519245990.db2.gz	CGFFMNMQTKKAPR-UHFFFAOYSA-N	0	0	435.471	5.459	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1	ZINC000012759304	519253028	/nfs/dbraw/zinc/25/30/28/519253028.db2.gz	KTNTZXFHYGTLAT-KRWDZBQOSA-N	0	0	440.613	5.614	50	30		IKEARN
C=CCn1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013114908	519253289	/nfs/dbraw/zinc/25/32/89/519253289.db2.gz	GWKHTAVDCJCUSM-KRWDZBQOSA-N	0	0	445.592	6.332	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(O)c(OCC)c3)c12	ZINC000012686949	519265437	/nfs/dbraw/zinc/26/54/37/519265437.db2.gz	UIVYHMNIJIOCNH-ZHACJKMWSA-N	0	0	435.911	5.437	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(C)C)c12	ZINC000012682948	519265534	/nfs/dbraw/zinc/26/55/34/519265534.db2.gz	JPNYFBISCKGSCB-CCEZHUSRSA-N	0	0	429.520	5.475	50	30		IKEARN
CC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000001889276	519354431	/nfs/dbraw/zinc/35/44/31/519354431.db2.gz	OUNDRYKKCDOETG-SLEBQGDGSA-N	0	0	427.533	5.349	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccccc1OCc1ccccc1Cl	ZINC000001126860	519370480	/nfs/dbraw/zinc/37/04/80/519370480.db2.gz	OWEOKUOWFOPUEG-DEOSSOPVSA-N	0	0	448.975	5.438	50	30		IKEARN
CC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681679	519531962	/nfs/dbraw/zinc/53/19/62/519531962.db2.gz	VEAHUEAEPJJBDN-UHFFFAOYSA-N	0	0	434.192	5.315	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674132	519640406	/nfs/dbraw/zinc/64/04/06/519640406.db2.gz	MDSSCXDGYAOCPG-SSOJOUAXSA-N	0	0	443.459	5.108	50	30		IKEARN
CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000257348654	519757001	/nfs/dbraw/zinc/75/70/01/519757001.db2.gz	HTZDJVPKUOXQMG-CBUWRSOLSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000253499152	519757262	/nfs/dbraw/zinc/75/72/62/519757262.db2.gz	UOCUEIOMIAYZNI-KYBQMFBKSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1	ZINC000013284112	519758766	/nfs/dbraw/zinc/75/87/66/519758766.db2.gz	KDBLRYRHQDNAKV-NDZAJKAJSA-N	0	0	445.522	6.677	50	30		IKEARN
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1	ZINC000012564702	519762034	/nfs/dbraw/zinc/76/20/34/519762034.db2.gz	IFTXIOHUBCQHFX-NTCAYCPXSA-N	0	0	428.557	6.532	50	30		IKEARN
CC(C)Oc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1	ZINC000021548866	519778491	/nfs/dbraw/zinc/77/84/91/519778491.db2.gz	LOUFPBQVJNQDLB-QNGOZBTKSA-N	0	0	428.444	5.947	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000013568678	519781585	/nfs/dbraw/zinc/78/15/85/519781585.db2.gz	YSNMAQAFVVBILW-QYBDOPJKSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccccc1/C=C1/CN(C(C)C)C/C(=C/c2ccccc2OC(C)C)C1=O	ZINC000020115293	519783811	/nfs/dbraw/zinc/78/38/11/519783811.db2.gz	WTVQJPKMQSAAIS-URXAUHHJSA-N	0	0	433.592	6.021	50	30		IKEARN
CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1	ZINC000009546508	519839426	/nfs/dbraw/zinc/83/94/26/519839426.db2.gz	ACPGPSJEZKUOPU-DWACAAAGSA-N	0	0	433.555	6.575	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009428408	519840256	/nfs/dbraw/zinc/84/02/56/519840256.db2.gz	QTVOMAAFYBSOLN-QFIPXVFZSA-N	0	0	446.459	5.090	50	30		IKEARN
CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccccc3)C2)cc1	ZINC000009546507	519840334	/nfs/dbraw/zinc/84/03/34/519840334.db2.gz	ACPGPSJEZKUOPU-DFHRPNOPSA-N	0	0	433.555	6.575	50	30		IKEARN
CC(C)c1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000018195454	519840427	/nfs/dbraw/zinc/84/04/27/519840427.db2.gz	OEXREUAVLDQMGN-JOCHJYFZSA-N	0	0	427.548	5.902	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008431452	519911110	/nfs/dbraw/zinc/91/11/10/519911110.db2.gz	CNNWALFBTGPNRD-RUZDIDTESA-N	0	0	447.535	5.928	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000018107295	519929158	/nfs/dbraw/zinc/92/91/58/519929158.db2.gz	WODPAPKCXDYOQJ-MYUZEXMDSA-N	0	0	444.531	6.354	50	30		IKEARN
CCCCCCCC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccc(OC)cc1	ZINC000102993475	519962972	/nfs/dbraw/zinc/96/29/72/519962972.db2.gz	HCSCTSGOISSZSW-UHFFFAOYSA-N	0	0	425.960	6.500	50	30		IKEARN
CCCCCCCC(=O)Nc1ccc(C(=O)OC2CCCCCCCCCCC2)cc1	ZINC000098001345	519966467	/nfs/dbraw/zinc/96/64/67/519966467.db2.gz	SFLOWAKRMJXDBT-UHFFFAOYSA-N	0	0	429.645	7.816	50	30		IKEARN
CCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(C(F)(F)F)c2)s1	ZINC000098021497	519967234	/nfs/dbraw/zinc/96/72/34/519967234.db2.gz	YVSZQXPIRGFJGJ-UHFFFAOYSA-N	0	0	445.532	5.831	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccccc3Br)C2=N)S1	ZINC000059222159	519971402	/nfs/dbraw/zinc/97/14/02/519971402.db2.gz	IHUGNZYRDWKPHS-MZHXHZAKSA-N	0	0	433.375	5.429	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000032790548	519971484	/nfs/dbraw/zinc/97/14/84/519971484.db2.gz	IPOLTUVFXFHAHI-WHIOSMTNSA-O	0	0	426.662	6.117	50	30	in-man	IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2C)c1	ZINC000098021416	519972629	/nfs/dbraw/zinc/97/26/29/519972629.db2.gz	AHUKAYBNSUTHKY-SANMLTNESA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000098022934	519973320	/nfs/dbraw/zinc/97/33/20/519973320.db2.gz	VXNVHNQTCVOTEH-VWLOTQADSA-N	0	0	442.600	6.602	50	30		IKEARN
CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000254385424	519979837	/nfs/dbraw/zinc/97/98/37/519979837.db2.gz	LBERVHLCXUMDOT-QAUFCQNWSA-N	0	0	442.684	7.571	50	30		IKEARN
CCCCCCCCCCCC(=O)N[C@@H](C)C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000102999930	519981248	/nfs/dbraw/zinc/98/12/48/519981248.db2.gz	AVZXDVYUGXMUGP-SFHVURJKSA-N	0	0	430.618	5.569	50	30		IKEARN
CCCCCCCCCCCC(=O)Oc1ccc(C2CCC(CCCCC)CC2)cc1	ZINC000097997008	519983838	/nfs/dbraw/zinc/98/38/38/519983838.db2.gz	FRFLLLHKXZHUFP-UHFFFAOYSA-N	0	0	428.701	9.367	50	30	biogenic	IKEARN
CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@@H]1CCCO1	ZINC000103000676	519986226	/nfs/dbraw/zinc/98/62/26/519986226.db2.gz	CSBDKMOBKAWYRC-QFIPXVFZSA-N	0	0	449.636	5.630	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1OC	ZINC000100284835	519993094	/nfs/dbraw/zinc/99/30/94/519993094.db2.gz	GLMPERVJHKLVCS-UHFFFAOYSA-N	0	0	433.677	7.452	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Oc1cccc2cccnc21	ZINC000100815800	519994389	/nfs/dbraw/zinc/99/43/89/519994389.db2.gz	FTYAGUVZSBNZKR-UHFFFAOYSA-N	0	0	440.672	8.585	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000101018247	520000682	/nfs/dbraw/zinc/00/06/82/520000682.db2.gz	YKPMXKYURKPASW-UHFFFAOYSA-N	0	0	446.053	7.503	50	30		IKEARN
CCCCCCCCCCCCN1C(=O)[C@@H]2Cc3c4ccccc4[nH]c3C(C)(C)N2C1=O	ZINC000070672731	520008316	/nfs/dbraw/zinc/00/83/16/520008316.db2.gz	ZBKQFXRPCCOFIV-QHCPKHFHSA-N	0	0	437.628	6.513	50	30	biogenic	IKEARN
CCCCCCCCCCCCn1nnnc1/C(=N/OCc1ccccc1)C(=O)OCC	ZINC000102320628	520015680	/nfs/dbraw/zinc/01/56/80/520015680.db2.gz	IQJMPXHAWPXVRM-ROMGYVFFSA-N	0	0	443.592	5.078	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000097995853	520021939	/nfs/dbraw/zinc/02/19/39/520021939.db2.gz	PGQBRQVODLBIJE-UHFFFAOYSA-N	0	0	441.524	6.154	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)cc2)cc1	ZINC000100283742	520023222	/nfs/dbraw/zinc/02/32/22/520023222.db2.gz	YGWLYJNWUSSFAG-UHFFFAOYSA-N	0	0	426.601	6.715	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOCc2ccccc2)cc1	ZINC000100282468	520023606	/nfs/dbraw/zinc/02/36/06/520023606.db2.gz	GBYNBHQEZSUWNN-UHFFFAOYSA-N	0	0	426.601	6.544	50	30		IKEARN
CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1	ZINC000097949515	520023900	/nfs/dbraw/zinc/02/39/00/520023900.db2.gz	BERUUKRLGMWXQI-UHFFFAOYSA-N	0	0	442.629	5.013	50	30		IKEARN
CCCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000050704700	520029863	/nfs/dbraw/zinc/02/98/63/520029863.db2.gz	CWBBGOHZQWTGPJ-UHFFFAOYSA-N	0	0	440.591	7.541	50	30		IKEARN
CCCCCCCCCn1c(SCCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000100688359	520031105	/nfs/dbraw/zinc/03/11/05/520031105.db2.gz	PULPXYOISJSLKT-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC	ZINC000006921190	520041181	/nfs/dbraw/zinc/04/11/81/520041181.db2.gz	WVPGXJOLGGFBCR-UHFFFAOYSA-N	0	0	434.642	9.226	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)cc1	ZINC000100668830	520042140	/nfs/dbraw/zinc/04/21/40/520042140.db2.gz	DQVBMVAKVVDTEQ-NMWGTECJSA-N	0	0	434.536	5.435	50	30		IKEARN
CCCCCCCCc1nnc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)s1	ZINC000097954964	520048966	/nfs/dbraw/zinc/04/89/66/520048966.db2.gz	REIZEGYQOBGFKV-UHFFFAOYSA-N	0	0	449.617	5.890	50	30		IKEARN
CCCCCCCNc1ccc(NC(=O)c2ccccc2)c2c1C(=O)c1ccccc1C2=O	ZINC000060050086	520059050	/nfs/dbraw/zinc/05/90/50/520059050.db2.gz	QANXKSWIKOQJGO-UHFFFAOYSA-N	0	0	440.543	6.097	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21	ZINC000097952679	520061638	/nfs/dbraw/zinc/06/16/38/520061638.db2.gz	HPWNPMMWRNIURG-UHFFFAOYSA-N	0	0	430.552	5.846	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc21	ZINC000002396506	520062625	/nfs/dbraw/zinc/06/26/25/520062625.db2.gz	XFWRLQYQTWDKGI-UHFFFAOYSA-N	0	0	446.551	5.351	50	30		IKEARN
CCCCCCCOc1ccc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	ZINC000097940395	520063853	/nfs/dbraw/zinc/06/38/53/520063853.db2.gz	YNBRJYJMWHBLJM-JOCHJYFZSA-N	0	0	431.576	7.109	50	30		IKEARN
CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCC)cc2)cc1	ZINC000100084153	520064295	/nfs/dbraw/zinc/06/42/95/520064295.db2.gz	JTXYZNZWIYQPGD-LGUFXXKBSA-N	0	0	427.614	5.433	50	30		IKEARN
CCCCCCC[C@@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O	ZINC000096021511	520068789	/nfs/dbraw/zinc/06/87/89/520068789.db2.gz	LVCBSQAAHWFUDD-HSZRJFAPSA-N	0	0	429.586	5.380	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cc(C)cc(C)c2)c1=O	ZINC000002407831	520072515	/nfs/dbraw/zinc/07/25/15/520072515.db2.gz	QQNVZOSAGNARSD-UHFFFAOYSA-N	0	0	439.563	5.871	50	30		IKEARN
CCCCCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4	ZINC000097953126	520072589	/nfs/dbraw/zinc/07/25/89/520072589.db2.gz	SFYCJEZIBZSPNA-UHFFFAOYSA-N	0	0	427.614	5.780	50	30		IKEARN
CCCNc1nc(CSc2nc(C(F)(F)F)cc(C)c2C#N)c(C(=O)OCC)s1	ZINC000020607355	520188653	/nfs/dbraw/zinc/18/86/53/520188653.db2.gz	LYQNWYIGMJQCIS-UHFFFAOYSA-N	0	0	444.504	5.028	50	30		IKEARN
CC/N=C1/S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC	ZINC000018255051	520207488	/nfs/dbraw/zinc/20/74/88/520207488.db2.gz	VZESTVTXFIMOOI-ROIOHNFESA-N	0	0	438.622	5.218	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(O)c(OCC)c1	ZINC000002055329	520228626	/nfs/dbraw/zinc/22/86/26/520228626.db2.gz	DJCKEZFRDIUEGL-QHCPKHFHSA-N	0	0	441.568	5.128	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@@H]2c1ccccc1	ZINC000001430164	520254545	/nfs/dbraw/zinc/25/45/45/520254545.db2.gz	TWQHCAPSVFNBOC-LJQANCHMSA-N	0	0	444.600	6.052	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1	ZINC000009775614	520254758	/nfs/dbraw/zinc/25/47/58/520254758.db2.gz	SRKLCQBRBPAJHI-UHFFFAOYSA-N	0	0	449.591	6.777	50	30		IKEARN
CC1(C)CC(=O)C([C@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1	ZINC000009975020	520254859	/nfs/dbraw/zinc/25/48/59/520254859.db2.gz	ORJOZNAROYTULK-GOSISDBHSA-N	0	0	435.347	6.314	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(Cl)cc1)OCO4	ZINC000009129445	520255760	/nfs/dbraw/zinc/25/57/60/520255760.db2.gz	NVUKDOCYWMUCEB-IBGZPJMESA-N	0	0	433.935	5.708	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Br	ZINC000100416833	520258865	/nfs/dbraw/zinc/25/88/65/520258865.db2.gz	BBECWGAEABMBCV-LJQANCHMSA-N	0	0	434.333	5.387	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccs1	ZINC000000709595	520260759	/nfs/dbraw/zinc/26/07/59/520260759.db2.gz	MNLOQRCRYSFXEA-DEOSSOPVSA-N	0	0	428.557	6.201	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCO3	ZINC000000816101	520260801	/nfs/dbraw/zinc/26/08/01/520260801.db2.gz	ZFPBFTKDRPSHOB-HXUWFJFHSA-N	0	0	426.310	5.378	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1ccco1	ZINC000021722422	520261344	/nfs/dbraw/zinc/26/13/44/520261344.db2.gz	YNGBYQYKMGEOMO-DEOSSOPVSA-N	0	0	430.479	5.876	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccccc1	ZINC000021722081	520261516	/nfs/dbraw/zinc/26/15/16/520261516.db2.gz	YTQOWEQCYKXAEZ-SANMLTNESA-N	0	0	437.543	6.535	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccs1	ZINC000012652085	520262427	/nfs/dbraw/zinc/26/24/27/520262427.db2.gz	KJMSMMFOWBHWCR-DEOSSOPVSA-N	0	0	428.557	6.205	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@@H]2c1ccccc1	ZINC000021722105	520262852	/nfs/dbraw/zinc/26/28/52/520262852.db2.gz	CTZAQFNJTNQTIO-KBMIEXCESA-N	0	0	445.563	5.192	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@H]2c1ccco1	ZINC000020503215	520264084	/nfs/dbraw/zinc/26/40/84/520264084.db2.gz	JMKHRWRTKOJKCW-SANMLTNESA-N	0	0	441.531	5.535	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Cl)c(Cl)c2)C1	ZINC000012589214	520265782	/nfs/dbraw/zinc/26/57/82/520265782.db2.gz	VEYXKXNYKUYFHP-FQEVSTJZSA-N	0	0	439.346	5.910	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@H]2c1ccccc1	ZINC000009281384	520265903	/nfs/dbraw/zinc/26/59/03/520265903.db2.gz	LSFLZNUJDFQEQS-NDEPHWFRSA-N	0	0	448.570	6.380	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12	ZINC000000986070	520269472	/nfs/dbraw/zinc/26/94/72/520269472.db2.gz	FFLJNLXJFDIMCN-JOCHJYFZSA-N	0	0	438.390	6.973	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Cl)cc2c1OCOC2	ZINC000016577961	520269647	/nfs/dbraw/zinc/26/96/47/520269647.db2.gz	CKOVCUBTEMOSJB-RUZDIDTESA-N	0	0	445.946	6.669	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccccc1Br)Nc1ccc3ccccc3c12	ZINC000002071143	520270073	/nfs/dbraw/zinc/27/00/73/520270073.db2.gz	MHUMJMPOTSSEDX-XMMPIXPASA-N	0	0	432.361	6.912	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@@H]2c1ccccc1	ZINC000002211327	520270113	/nfs/dbraw/zinc/27/01/13/520270113.db2.gz	RHPPHEKNEIPSSG-HXUWFJFHSA-N	0	0	440.478	5.098	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2nnc(N)s2)cc1	ZINC000001066210	520270245	/nfs/dbraw/zinc/27/02/45/520270245.db2.gz	VYTZAJIKTXAKOM-UHFFFAOYSA-N	0	0	449.576	5.188	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)cc1	ZINC000002030037	520272416	/nfs/dbraw/zinc/27/24/16/520272416.db2.gz	QAWOXEBCEZIUIC-DEOSSOPVSA-N	0	0	432.361	6.912	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850339	520274373	/nfs/dbraw/zinc/27/43/73/520274373.db2.gz	KRNFPVXBBMHWIP-IBGZPJMESA-N	0	0	441.557	5.127	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850876	520274402	/nfs/dbraw/zinc/27/44/02/520274402.db2.gz	HCTIDTCDOZXMNO-IBGZPJMESA-N	0	0	441.557	5.127	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(C(F)(F)F)cc2)c1=O	ZINC000008398030	520277604	/nfs/dbraw/zinc/27/76/04/520277604.db2.gz	LSXHQQBCFABOJC-BJMVGYQFSA-N	0	0	426.232	5.156	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c1=O	ZINC000008398053	520278486	/nfs/dbraw/zinc/27/84/86/520278486.db2.gz	MRRCQZJWNZPTSZ-XBXARRHUSA-N	0	0	427.125	5.444	50	30		IKEARN
CCCOc1c(Br)cc(C=NNc2ccc(Cl)c(Cl)c2)cc1OCC	ZINC000032705942	520289706	/nfs/dbraw/zinc/28/97/06/520289706.db2.gz	ZSEYVRAGUUANBX-JJFYIABZSA-N	0	0	446.172	6.389	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102484833	520317704	/nfs/dbraw/zinc/31/77/04/520317704.db2.gz	YNCMWBGODJXPGF-HOGKFDNTSA-N	0	0	448.906	5.150	50	30		IKEARN
CC1(C)CCCN(c2nc(N3CCCCC3)c(C#N)c3c2CN(Cc2ccccc2)CC3)C1	ZINC000020790018	520328812	/nfs/dbraw/zinc/32/88/12/520328812.db2.gz	GSKMJHBCJUZZCO-UHFFFAOYSA-N	0	0	443.639	5.128	50	30		IKEARN
CCNc1nc(CSc2nc(C(F)F)cc(C3CC3)c2C#N)c(C(=O)OCC)s1	ZINC000020607463	520357586	/nfs/dbraw/zinc/35/75/86/520357586.db2.gz	UJMDBOZSGMZKCL-UHFFFAOYSA-N	0	0	438.525	5.126	50	30		IKEARN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009472364	520432088	/nfs/dbraw/zinc/43/20/88/520432088.db2.gz	NAAMDRMAMWKSHD-QHCPKHFHSA-N	0	0	449.478	5.294	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2	ZINC000016293759	520485926	/nfs/dbraw/zinc/48/59/26/520485926.db2.gz	NYOLGTHMWYXCMV-AVRWGWEMSA-N	0	0	449.522	5.149	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000019314431	520496044	/nfs/dbraw/zinc/49/60/44/520496044.db2.gz	SLSZWDXRFHRQPW-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(O)c(OC)c2)C1=O	ZINC000003002748	520536711	/nfs/dbraw/zinc/53/67/11/520536711.db2.gz	FZLDJJMDDDSASE-KGENOOAVSA-N	0	0	447.512	5.098	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(Cl)cc2)C1=O	ZINC000006378653	520537695	/nfs/dbraw/zinc/53/76/95/520537695.db2.gz	JFSWCVREEATPLY-ZHZULCJRSA-N	0	0	435.932	6.037	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1cccc(C)c1	ZINC000016185221	520554461	/nfs/dbraw/zinc/55/44/61/520554461.db2.gz	PWSNUJZHQPHOLE-YJOHERITSA-N	0	0	444.025	6.423	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)CC(c2ccccc2)c2ccccc2)c(C#N)c1C	ZINC000019643906	520566731	/nfs/dbraw/zinc/56/67/31/520566731.db2.gz	ZZWSNYQDLLAXTP-UHFFFAOYSA-N	0	0	445.588	5.571	50	30		IKEARN
CCN(CC)C(=S)SCC(=NNc1ccc(Br)cc1)c1ccccc1	ZINC000018192322	520566829	/nfs/dbraw/zinc/56/68/29/520566829.db2.gz	UHACJDLKNKPOLL-PYCFMQQDSA-N	0	0	436.444	5.625	50	30		IKEARN
CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1	ZINC000100117585	520572309	/nfs/dbraw/zinc/57/23/09/520572309.db2.gz	BNXHYJGYFILIDX-CMCXOAPSSA-N	0	0	432.926	6.435	50	30		IKEARN
CCOc1c(Br)cc(/C=C(\C(=O)c2ccccc2C)c2ncc[nH]2)cc1OC	ZINC000221931967	520588243	/nfs/dbraw/zinc/58/82/43/520588243.db2.gz	KIUPOFCAJUHYLD-GZTJUZNOSA-N	0	0	441.325	5.311	50	30		IKEARN
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2	ZINC000013568632	520610510	/nfs/dbraw/zinc/61/05/10/520610510.db2.gz	NHFCPFSRZFVRAF-NQIIRXRSSA-N	0	0	447.575	5.396	50	30		IKEARN
CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2	ZINC000013568631	520612263	/nfs/dbraw/zinc/61/22/63/520612263.db2.gz	NHFCPFSRZFVRAF-GHTZIAJQSA-N	0	0	447.575	5.396	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@@H](C)C(=O)N(C)C	ZINC000013055986	520618724	/nfs/dbraw/zinc/61/87/24/520618724.db2.gz	LRKMWQUIXUIRLR-XYYIANASSA-N	0	0	436.335	5.144	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)ccc1OCC(=O)N(C)C	ZINC000016044216	520618989	/nfs/dbraw/zinc/61/89/89/520618989.db2.gz	YTLTURVJDBWTBO-MHWRWJLKSA-N	0	0	429.516	5.115	50	30		IKEARN
CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1	ZINC000033954919	520646888	/nfs/dbraw/zinc/64/68/88/520646888.db2.gz	ZXQYGBMAQZUVMI-HQMWCCLBSA-N	0	0	449.856	6.544	50	30	in-man	IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000002055495	520701246	/nfs/dbraw/zinc/70/12/46/520701246.db2.gz	MIGNWMISBXVCAV-FQEVSTJZSA-N	0	0	447.959	5.002	50	30		IKEARN
CCCCOC(=O)c1ccc(-c2ccc(CN=Nc3ccc(OC)cc3[N+](=O)[O-])o2)cc1	ZINC000020615067	520719965	/nfs/dbraw/zinc/71/99/65/520719965.db2.gz	ODFACLBOGCJEKG-BUVRLJJBSA-N	0	0	437.452	5.266	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC	ZINC000006089737	520778994	/nfs/dbraw/zinc/77/89/94/520778994.db2.gz	UYDAAXFSHMLTJY-QLXKLKPCSA-N	0	0	446.572	6.135	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000000709667	520784579	/nfs/dbraw/zinc/78/45/79/520784579.db2.gz	PNBMOJTYKBKKSI-XHCCPWGMSA-N	0	0	426.516	5.770	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000002190006	520785042	/nfs/dbraw/zinc/78/50/42/520785042.db2.gz	YICPRIVRYRCVKF-RUZDIDTESA-N	0	0	447.962	6.907	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O	ZINC000028052479	520787499	/nfs/dbraw/zinc/78/74/99/520787499.db2.gz	KZEZWLRCMNIYKK-XDHUDOTRSA-N	0	0	446.503	5.054	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC	ZINC000033321070	520787869	/nfs/dbraw/zinc/78/78/69/520787869.db2.gz	HNDMICIJUBJPRI-UUOWRZLLSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O	ZINC000028052475	520787951	/nfs/dbraw/zinc/78/79/51/520787951.db2.gz	KZEZWLRCMNIYKK-OSPHWJPCSA-N	0	0	446.503	5.054	50	30		IKEARN
CCOc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2	ZINC000252627206	520789840	/nfs/dbraw/zinc/78/98/40/520789840.db2.gz	ROUYAPDUUUROKS-FAOJBXBBSA-N	0	0	448.500	5.211	50	30		IKEARN
CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1	ZINC000009971262	520801744	/nfs/dbraw/zinc/80/17/44/520801744.db2.gz	RXJSTNSLRSRQDM-KAYFCYQFSA-N	0	0	440.543	6.631	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccs2)C2=C(CCCC2=O)N1	ZINC000027547491	520807560	/nfs/dbraw/zinc/80/75/60/520807560.db2.gz	IIUOTKYMYVTEIO-FQEVSTJZSA-N	0	0	432.467	5.374	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000000689702	520811293	/nfs/dbraw/zinc/81/12/93/520811293.db2.gz	WQIDKWJKTUGALS-OAQYLSRUSA-N	0	0	445.321	5.739	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001427813	520811370	/nfs/dbraw/zinc/81/13/70/520811370.db2.gz	IROPHWKZMNPUBU-UUOWRZLLSA-N	0	0	441.556	5.143	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000019536141	520817920	/nfs/dbraw/zinc/81/79/20/520817920.db2.gz	YTSBKNUBBRGSOM-OAQYLSRUSA-N	0	0	433.470	5.549	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1	ZINC000001213129	520818592	/nfs/dbraw/zinc/81/85/92/520818592.db2.gz	IPOXFBRCQVZDRD-OAQYLSRUSA-N	0	0	444.915	5.092	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000019630407	520818967	/nfs/dbraw/zinc/81/89/67/520818967.db2.gz	VSKLXCJSVVBUIF-WNSKOXEYSA-N	0	0	439.602	5.657	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000002462437	520819142	/nfs/dbraw/zinc/81/91/42/520819142.db2.gz	XEXSXBVLADCZJZ-RXFWQSSRSA-N	0	0	443.543	5.240	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019314564	520820306	/nfs/dbraw/zinc/82/03/06/520820306.db2.gz	SWWVFYHSSOWZMF-QFIPXVFZSA-N	0	0	438.524	5.075	50	30	in-vitro	IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001184784	520821711	/nfs/dbraw/zinc/82/17/11/520821711.db2.gz	XXKWQIVCAMYFML-HXOBKFHXSA-N	0	0	439.552	5.448	50	30		IKEARN
CCOc1ccc(-n2c(C)cc([C@H]3c4c(C)[nH]nc4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1	ZINC000012583539	520832697	/nfs/dbraw/zinc/83/26/97/520832697.db2.gz	XHAYHRUOCUGOEQ-DEOSSOPVSA-N	0	0	444.579	5.725	50	30		IKEARN
CCCCOc1cc(Br)c(C=C2C(=O)c3ccccc3C2=O)cc1OCC	ZINC000002086518	520849522	/nfs/dbraw/zinc/84/95/22/520849522.db2.gz	KEJBJWZFBIMLKM-UHFFFAOYSA-N	0	0	429.310	5.489	50	30		IKEARN
CCCCOc1ccc(C(=O)O/N=C2\CCc3c2c(OC)ccc3Br)cc1	ZINC000012469651	520874163	/nfs/dbraw/zinc/87/41/63/520874163.db2.gz	VPRIGUORBWNZAO-PTGBLXJZSA-N	0	0	432.314	5.144	50	30		IKEARN
CCN(CC)c1ccc(/C=C2\S/C(=N\c3cccc(C(F)(F)F)c3)NC2=O)c(OC)c1	ZINC000015016385	520879294	/nfs/dbraw/zinc/87/92/94/520879294.db2.gz	ICKZNRJEPMIZRU-ODLFYWEKSA-N	0	0	449.498	5.452	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)cc1	ZINC000020608381	520881736	/nfs/dbraw/zinc/88/17/36/520881736.db2.gz	ZSKKKOYTDVEDHU-FSJBWODESA-N	0	0	449.411	5.696	50	30		IKEARN
CCN(CC)c1ccc(/C=N/c2ccccc2/N=C\c2ccc(N(CC)CC)cc2)cc1	ZINC000011565510	520883112	/nfs/dbraw/zinc/88/31/12/520883112.db2.gz	STLPZBKWRGUEFT-DWVPNOFWSA-N	0	0	426.608	6.880	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(CC)cc3)c3ccccc3S2(=O)=O)cc1	ZINC000032984292	520883784	/nfs/dbraw/zinc/88/37/84/520883784.db2.gz	UBRVAYNJTGFAFL-UHFFFAOYSA-N	0	0	433.529	5.297	50	30		IKEARN
CCN(CC)c1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794641	520923420	/nfs/dbraw/zinc/92/34/20/520923420.db2.gz	SLOZAVCBNVVGHZ-VWLOTQADSA-N	0	0	434.580	5.751	50	30		IKEARN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1	ZINC000008997145	520924404	/nfs/dbraw/zinc/92/44/04/520924404.db2.gz	DNXSRZULBGSFSP-KPURRNSFSA-N	0	0	437.587	6.512	50	30		IKEARN
CCOc1ccc(NN=C(C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	ZINC000013648405	521031797	/nfs/dbraw/zinc/03/17/97/521031797.db2.gz	RHLZBPLWUHLDMD-ULJHMMPZSA-N	0	0	427.327	5.311	50	30		IKEARN
CCOc1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943186	521032939	/nfs/dbraw/zinc/03/29/39/521032939.db2.gz	ZIUZGDDMFDERIF-UHFFFAOYSA-N	0	0	426.520	5.007	50	30		IKEARN
CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@@H](C)CC3)cc1	ZINC000009907658	521112934	/nfs/dbraw/zinc/11/29/34/521112934.db2.gz	CYZPROLUPJYXBY-DCMOEJRUSA-N	0	0	448.588	6.283	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000013582992	521117720	/nfs/dbraw/zinc/11/77/20/521117720.db2.gz	PQVZICXKNNRIPL-MLKPGFSBSA-N	0	0	429.589	6.173	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000051366983	521117810	/nfs/dbraw/zinc/11/78/10/521117810.db2.gz	LEHKLFXCYIZPJE-IOYLVGNBSA-N	0	0	443.616	6.481	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC	ZINC000018244437	521166419	/nfs/dbraw/zinc/16/64/19/521166419.db2.gz	PAFKFZIOUCPJCQ-VWLOTQADSA-N	0	0	434.536	5.257	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000012648746	521168608	/nfs/dbraw/zinc/16/86/08/521168608.db2.gz	YLNFDTSZCDVHIG-QLXKLKPCSA-N	0	0	446.934	6.244	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000009067564	521168655	/nfs/dbraw/zinc/16/86/55/521168655.db2.gz	GGXZFQFEPIKPTM-NGOKVRLYSA-N	0	0	440.518	6.136	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1	ZINC000009934353	521168968	/nfs/dbraw/zinc/16/89/68/521168968.db2.gz	RNCCSISZHQBOIK-MYUZEXMDSA-N	0	0	442.515	5.599	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl	ZINC000000669401	521169079	/nfs/dbraw/zinc/16/90/79/521169079.db2.gz	YKXVKWNYSYPDTF-HSZRJFAPSA-N	0	0	443.374	6.546	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000012648749	521169125	/nfs/dbraw/zinc/16/91/25/521169125.db2.gz	YLNFDTSZCDVHIG-MRDQGFSESA-N	0	0	446.934	6.244	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006196432	521236702	/nfs/dbraw/zinc/23/67/02/521236702.db2.gz	SXGKIBBXSOFHPJ-RUZDIDTESA-N	0	0	444.575	5.636	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794509	521248599	/nfs/dbraw/zinc/24/85/99/521248599.db2.gz	HDUMIDJOVSEWSL-NRFANRHFSA-N	0	0	437.536	5.312	50	30		IKEARN
CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1	ZINC000013575580	521248808	/nfs/dbraw/zinc/24/88/08/521248808.db2.gz	INMBJBTYRUWKEK-OYUWMTPXSA-N	0	0	445.522	5.370	50	30		IKEARN
CCCC[C@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000013617278	521253105	/nfs/dbraw/zinc/25/31/05/521253105.db2.gz	LEHKLFXCYIZPJE-AEOQXANVSA-N	0	0	443.616	6.481	50	30		IKEARN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC	ZINC000013568495	521268899	/nfs/dbraw/zinc/26/88/99/521268899.db2.gz	APWHKHLFUGVKQB-NHCUHLMSSA-N	0	0	433.548	5.222	50	30		IKEARN
CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)c1O	ZINC000027527951	521316273	/nfs/dbraw/zinc/31/62/73/521316273.db2.gz	JOJIOOVINFSSSJ-TWILBZOKSA-N	0	0	438.597	5.783	50	30		IKEARN
CCOc1cccc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)c1O	ZINC000072334091	521317387	/nfs/dbraw/zinc/31/73/87/521317387.db2.gz	HDBPMOSKKYGPNZ-CVKSISIWSA-N	0	0	430.460	5.549	50	30		IKEARN
CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)c1O	ZINC000038187791	521317541	/nfs/dbraw/zinc/31/75/41/521317541.db2.gz	JOJIOOVINFSSSJ-BYEGDDEQSA-N	0	0	438.597	5.783	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1	ZINC000012561336	521364106	/nfs/dbraw/zinc/36/41/06/521364106.db2.gz	ZMUWKRLESJFUPP-OZHCYYCFSA-N	0	0	447.435	6.985	50	30		IKEARN
CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC=C1C(=O)CC(C)(C)CC1=O	ZINC000100772859	521371259	/nfs/dbraw/zinc/37/12/59/521371259.db2.gz	NCBREVIICSXUBZ-BHGWPJFGSA-N	0	0	431.941	5.522	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2ccc(OCC)cc2)n2c3ccccc3nc2c1C#N	ZINC000012689803	521385954	/nfs/dbraw/zinc/38/59/54/521385954.db2.gz	KQKNHMHUECPJKY-UHFFFAOYSA-N	0	0	444.560	5.441	50	30		IKEARN
CCOC(=O)c1c(C)oc2c1C(=CNCCc1c[nH]c3ccccc13)C(=O)c1ccccc1-2	ZINC000100289902	521398911	/nfs/dbraw/zinc/39/89/11/521398911.db2.gz	LOORQDQPUJQCAW-QNGOZBTKSA-N	0	0	440.499	5.283	50	30		IKEARN
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000000751977	521410335	/nfs/dbraw/zinc/41/03/35/521410335.db2.gz	CBZXKVRFVKYQGY-SANMLTNESA-N	0	0	444.556	5.056	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1	ZINC000001434810	521417045	/nfs/dbraw/zinc/41/70/45/521417045.db2.gz	UEJVMKHATLIVQX-MMTVBGGISA-N	0	0	440.543	6.073	50	30		IKEARN
CCOC(=O)c1ccc(-c2ccc(CN=Nc3oc(-c4ccc(C)cc4)nc3C#N)o2)cc1	ZINC000019927864	521459831	/nfs/dbraw/zinc/45/98/31/521459831.db2.gz	KHWJAISNJZWVRK-JFLMPSFJSA-N	0	0	440.459	5.404	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(Cl)c1	ZINC000013286476	521513048	/nfs/dbraw/zinc/51/30/48/521513048.db2.gz	KIHNHOGJELRPDK-MGXYOJEMSA-N	0	0	431.970	5.343	50	30		IKEARN
CCOC(=O)c1ccccc1-c1csc(NC=NOCc2c(F)cccc2Cl)n1	ZINC000013394566	521548170	/nfs/dbraw/zinc/54/81/70/521548170.db2.gz	XFIWPJDXLVKCKO-UHFFFAOYSA-N	0	0	433.892	5.351	50	30		IKEARN
CCCn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21	ZINC000069351892	521616107	/nfs/dbraw/zinc/61/61/07/521616107.db2.gz	LXGVUNIFUCHRLA-DTQAZKPQSA-N	0	0	427.931	6.628	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)c(C)c2)c2c(C)oc(C)c21	ZINC000008818389	521638179	/nfs/dbraw/zinc/63/81/79/521638179.db2.gz	ZDRSHBNCHHWILB-MRCUWXFGSA-N	0	0	443.543	6.323	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(OC)cc2)c2c(C)oc(C)c21	ZINC000008931645	521638202	/nfs/dbraw/zinc/63/82/02/521638202.db2.gz	CXDGSFVZSHXCKH-HNENSFHCSA-N	0	0	445.515	5.715	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2	ZINC000020648846	521648156	/nfs/dbraw/zinc/64/81/56/521648156.db2.gz	NGWGGYWOKMYRKF-NHDPSOOVSA-N	0	0	443.927	5.150	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccc(OC)cc13)O2	ZINC000020647124	521649186	/nfs/dbraw/zinc/64/91/86/521649186.db2.gz	CWPWWNGWKLOONA-ZMOGYAJESA-N	0	0	434.536	5.131	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972921	521650046	/nfs/dbraw/zinc/65/00/46/521650046.db2.gz	KMQANNGWFWPNJO-UHFFFAOYSA-N	0	0	445.611	5.740	50	30		IKEARN
CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(F)cc2Cl)o1	ZINC000036611399	521792690	/nfs/dbraw/zinc/79/26/90/521792690.db2.gz	ULGHBRWYOHZYHP-LIMNOBDPSA-N	0	0	448.829	5.256	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1	ZINC000036611342	521793998	/nfs/dbraw/zinc/79/39/98/521793998.db2.gz	LDMKLQKWAINFKF-GZIVZEMBSA-N	0	0	430.839	5.174	50	30		IKEARN
CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2cccc(C)c2)S1(=O)=O	ZINC000020132860	521851293	/nfs/dbraw/zinc/85/12/93/521851293.db2.gz	VZIHHWYSXBNSPI-LFVJCYFKSA-N	0	0	432.545	5.044	50	30		IKEARN
COc1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N	ZINC000050820147	521922151	/nfs/dbraw/zinc/92/21/51/521922151.db2.gz	RSXUDLPJLIXKTL-VKAVYKQESA-N	0	0	438.512	5.672	50	30		IKEARN
COC(=O)c1ccc(/N=C2\S/C(=C/c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1	ZINC000002240417	521938616	/nfs/dbraw/zinc/93/86/16/521938616.db2.gz	WEVCKVMWAVHJNI-XHFTXJRRSA-N	0	0	438.549	5.147	50	30		IKEARN
COC(=O)c1ccc(/N=C2/S/C(=C\c3cc(C(C)C)c(OC)cc3C)C(=O)N2C)cc1	ZINC000013689500	521940004	/nfs/dbraw/zinc/94/00/04/521940004.db2.gz	WEVCKVMWAVHJNI-CQJVDGAYSA-N	0	0	438.549	5.147	50	30		IKEARN
COc1cc(/C=C/C(=O)c2ccc(O)cc2)ccc1OCc1cccc(C(F)(F)F)c1	ZINC000012659943	521940479	/nfs/dbraw/zinc/94/04/79/521940479.db2.gz	YWQZRLNMGZBQLP-VZUCSPMQSA-N	0	0	428.406	5.895	50	30		IKEARN
COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc(Br)c1O	ZINC000012466158	521952441	/nfs/dbraw/zinc/95/24/41/521952441.db2.gz	LFYPMABEPJLQPM-OPZVMXLVSA-N	0	0	447.354	5.014	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C	ZINC000012285243	521968951	/nfs/dbraw/zinc/96/89/51/521968951.db2.gz	PQVSWPBQFGSBKC-ZEHKLFRWSA-N	0	0	442.584	6.159	50	30		IKEARN
COc1cc(/C=N/NC(=S)Nc2ccc(C)cc2)ccc1OCCOc1ccc(C)cc1	ZINC000008984257	521989614	/nfs/dbraw/zinc/98/96/14/521989614.db2.gz	VGSZJSPEELZQRB-YZSQISJMSA-N	0	0	449.576	5.090	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)ccc1O	ZINC000013756596	521993521	/nfs/dbraw/zinc/99/35/21/521993521.db2.gz	FHTNFJOZLIWKDA-BRJLIKDPSA-N	0	0	439.302	5.764	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC	ZINC000033656533	522050471	/nfs/dbraw/zinc/05/04/71/522050471.db2.gz	MGSXNUPALWYYAC-LGMDPLHJSA-N	0	0	434.517	5.382	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2ccc(C)s2)c2nc3ccccc3[nH]2)cc(OC)c1OC	ZINC000009444167	522050658	/nfs/dbraw/zinc/05/06/58/522050658.db2.gz	MGSXNUPALWYYAC-GHRIWEEISA-N	0	0	434.517	5.382	50	30		IKEARN
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)C=CNc3ccccc3Cl)c2)n1	ZINC000091695714	522119222	/nfs/dbraw/zinc/11/92/22/522119222.db2.gz	MUCWADBJUOVDEN-ZHACJKMWSA-N	0	0	445.872	6.295	50	30		IKEARN
CN(C)c1ccc(/C=C(\C(=O)c2ccc(Br)cc2)c2nc3ccccc3o2)cc1	ZINC000027026176	522127072	/nfs/dbraw/zinc/12/70/72/522127072.db2.gz	XXEZBWYDAKBZSN-HMMYKYKNSA-N	0	0	447.332	6.080	50	30		IKEARN
COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052307	522168576	/nfs/dbraw/zinc/16/85/76/522168576.db2.gz	DMOJYYSNYXAHLQ-VGOFRKELSA-N	0	0	448.906	5.381	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1	ZINC000000796178	522307491	/nfs/dbraw/zinc/30/74/91/522307491.db2.gz	VXFZTYCXOSXQLQ-UHFFFAOYSA-N	0	0	447.506	5.114	50	30		IKEARN
CN(CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)Cc1ccc(Br)s1	ZINC000013019446	522405311	/nfs/dbraw/zinc/40/53/11/522405311.db2.gz	SXEDIHCULOPGTI-UHFFFAOYSA-N	0	0	440.363	5.493	50	30		IKEARN
CO/C(=N/[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1	ZINC000002686540	522735319	/nfs/dbraw/zinc/73/53/19/522735319.db2.gz	NTSSBJCZIZYUSP-LGVXEURYSA-N	0	0	430.788	5.071	50	30		IKEARN
CO/N=C/C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000008733497	522737068	/nfs/dbraw/zinc/73/70/68/522737068.db2.gz	VZLNFXLTCBIURV-GZIVZEMBSA-N	0	0	449.121	5.126	50	30		IKEARN
COC(=O)/C=C1\S/C(=N\c2ccc(C)c(Cl)c2)N(c2ccc(C)c(Cl)c2)C1=O	ZINC000002161566	522746297	/nfs/dbraw/zinc/74/62/97/522746297.db2.gz	BSOGMLWCQDXFAZ-PLISCHTNSA-N	0	0	435.332	5.435	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C(/C(=O)c1ccc(C)cc1)c1nc2ccccc2o1	ZINC000012756038	522817024	/nfs/dbraw/zinc/81/70/24/522817024.db2.gz	ATVSEIKSHPXOSM-UYRXBGFRSA-N	0	0	429.472	5.586	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)c1	ZINC000035847704	522839104	/nfs/dbraw/zinc/83/91/04/522839104.db2.gz	VFZWSBDYLTZCEK-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2C2CCCCC2)c1	ZINC000035847575	522839508	/nfs/dbraw/zinc/83/95/08/522839508.db2.gz	WAOUIWKMXWTKQB-UHFFFAOYSA-N	0	0	434.565	5.631	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000627433	522878729	/nfs/dbraw/zinc/87/87/29/522878729.db2.gz	DCHYFSAAGOEXQS-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1	ZINC000001434670	522881406	/nfs/dbraw/zinc/88/14/06/522881406.db2.gz	QGBBCDVTQWDVTP-NYHFZMIOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F	ZINC000001127606	522883770	/nfs/dbraw/zinc/88/37/70/522883770.db2.gz	ALEVSAGTMVIFJA-RNODOKPDSA-N	0	0	447.478	5.302	50	30		IKEARN
COC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(OC)cc2OC)C1=O	ZINC000009721134	522894949	/nfs/dbraw/zinc/89/49/49/522894949.db2.gz	NVIOQNKVSHRVGS-BKUYFWCQSA-N	0	0	447.512	5.011	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C	ZINC000013568612	522922180	/nfs/dbraw/zinc/92/21/80/522922180.db2.gz	LEZOUGGFQGMRHJ-HKUYNNGSSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC	ZINC000009972237	522931382	/nfs/dbraw/zinc/93/13/82/522931382.db2.gz	VOONULXUNBRPOD-BZQUYTCOSA-N	0	0	446.503	5.285	50	30		IKEARN
COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O	ZINC000001035427	522934935	/nfs/dbraw/zinc/93/49/35/522934935.db2.gz	AGPRFILCGZLNLP-HSZRJFAPSA-N	0	0	429.520	5.096	50	30		IKEARN
COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC	ZINC000000717711	522936336	/nfs/dbraw/zinc/93/63/36/522936336.db2.gz	DQROHLGPGSBAHS-HSZRJFAPSA-N	0	0	447.962	6.711	50	30		IKEARN
COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794451	522992823	/nfs/dbraw/zinc/99/28/23/522992823.db2.gz	UBSHQMLVNOBBER-FQEVSTJZSA-N	0	0	439.577	5.635	50	30		IKEARN
COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)[nH]c3ccc(Cl)cc31)=C2	ZINC000062001650	523022394	/nfs/dbraw/zinc/02/23/94/523022394.db2.gz	RQZXAPZULVDSBX-UHFFFAOYSA-N	0	0	438.955	5.637	50	30	biogenic	IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@H]3C)n2)cc1	ZINC000012385124	523104156	/nfs/dbraw/zinc/10/41/56/523104156.db2.gz	RSKKVRFQJUXVDX-CQSZACIVSA-N	0	0	449.498	5.141	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]21C	ZINC000257358970	523109757	/nfs/dbraw/zinc/10/97/57/523109757.db2.gz	XRLBQELEYBVDHJ-JIQQANKKSA-N	0	0	444.612	5.265	50	30		IKEARN
COc1ccc(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3C(F)(F)F)s2)cc1	ZINC000012369141	523128080	/nfs/dbraw/zinc/12/80/80/523128080.db2.gz	MBPACWIBIDPCIR-KIBLKLHPSA-N	0	0	445.293	7.195	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(F)cc2)cc1OC	ZINC000012574521	523240124	/nfs/dbraw/zinc/24/01/24/523240124.db2.gz	PGWHMFIDDNVGDA-GXDHUFHOSA-N	0	0	428.463	5.592	50	30		IKEARN
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2C)cc1OC	ZINC000035847500	523264393	/nfs/dbraw/zinc/26/43/93/523264393.db2.gz	UTBGUSKEZDZPDM-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3COc3ccccc3)ccc21	ZINC000002345697	523274613	/nfs/dbraw/zinc/27/46/13/523274613.db2.gz	FQKLSOJVGOPLTE-MFKUBSTISA-N	0	0	427.533	5.156	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c2ccccc21	ZINC000020648434	523304482	/nfs/dbraw/zinc/30/44/82/523304482.db2.gz	KNZBUASZAPIDPL-LGJNPRDNSA-N	0	0	446.591	6.097	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21	ZINC000013681157	523305218	/nfs/dbraw/zinc/30/52/18/523305218.db2.gz	NZJVEMLDYNICJQ-HZTDBVLZSA-N	0	0	430.548	5.461	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccccc4C)ccc3C2=O)c2cc(OC)ccc21	ZINC000009422259	523308219	/nfs/dbraw/zinc/30/82/19/523308219.db2.gz	RKYIULIMEAVBHM-UVHMKAGCSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(OC)cc4)ccc3C2=O)c2ccccc21	ZINC000009423429	523308449	/nfs/dbraw/zinc/30/84/49/523308449.db2.gz	JQHZPJIMRMCLBJ-AFUMVMLFSA-N	0	0	439.467	5.505	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3)cc2-c2cccc(OC)c2)cc1	ZINC000035843401	523312811	/nfs/dbraw/zinc/31/28/11/523312811.db2.gz	HMGIFGOQLBPHKC-BRPDVVIDSA-N	0	0	440.543	6.411	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000012951725	523357556	/nfs/dbraw/zinc/35/75/56/523357556.db2.gz	UKGQURNMPWDUHZ-OERFTBBMSA-N	0	0	435.907	5.802	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1OC	ZINC000008927119	523398599	/nfs/dbraw/zinc/39/85/99/523398599.db2.gz	GCYFXVGPAAVVBB-UKTHLTGXSA-N	0	0	443.930	6.777	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1OC	ZINC000013512891	523398857	/nfs/dbraw/zinc/39/88/57/523398857.db2.gz	WLDYFJUQIJMPEP-XYOKQWHBSA-N	0	0	445.902	5.762	50	30		IKEARN
COc1ccc(/C=C/c2cc(-c3cccc(C)c3)n3c4ccccc4nc3c2C#N)cc1O	ZINC000013146020	523405396	/nfs/dbraw/zinc/40/53/96/523405396.db2.gz	ADWRCEXNXIKKCJ-ZRDIBKRKSA-N	0	0	431.495	6.219	50	30		IKEARN
CC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O	ZINC000013617361	523422956	/nfs/dbraw/zinc/42/29/56/523422956.db2.gz	ZETWLCDQKVYEKX-VDFJPTLYSA-N	0	0	447.560	5.101	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c(OC)c1	ZINC000020648127	523423293	/nfs/dbraw/zinc/42/32/93/523423293.db2.gz	YNBICIBDNNADEA-MYKKPKGFSA-N	0	0	439.552	5.140	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(C(=O)OC(C)C)cc4)ccc3C2=O)cc1	ZINC000012374184	523425012	/nfs/dbraw/zinc/42/50/12/523425012.db2.gz	UGHXLPDKTRWCNA-QFEZKATASA-N	0	0	444.483	5.456	50	30	biogenic	IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O	ZINC000002073764	523426402	/nfs/dbraw/zinc/42/64/02/523426402.db2.gz	CMKSGDKULPPFME-JWMLTMDESA-N	0	0	430.529	5.826	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000008396133	523426766	/nfs/dbraw/zinc/42/67/66/523426766.db2.gz	RVGPTYYAVVIMHX-PNTLFUMMSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC	ZINC000012730131	523427648	/nfs/dbraw/zinc/42/76/48/523427648.db2.gz	LVNLWCCVSQOFEF-LMTJQJACSA-N	0	0	444.556	5.377	50	30		IKEARN
COc1ccc(/C=N/OCc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1	ZINC000009547744	523452282	/nfs/dbraw/zinc/45/22/82/523452282.db2.gz	QKFNZCMEYWBWMB-MZJWZYIUSA-N	0	0	446.555	5.150	50	30		IKEARN
COc1ccc(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000100111982	523469770	/nfs/dbraw/zinc/46/97/70/523469770.db2.gz	CVLCOTMAMDSXPO-SHSCQTOKSA-N	0	0	434.492	5.652	50	30		IKEARN
COc1ccc(Br)cc1/C=C/C(=O)c1ccc(OC(=O)c2cccs2)cc1	ZINC000012952450	523488999	/nfs/dbraw/zinc/48/89/99/523488999.db2.gz	XRHGQZQIQFRREW-UXBLZVDNSA-N	0	0	443.318	5.635	50	30		IKEARN
COc1ccc(Br)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1	ZINC000020258400	523491308	/nfs/dbraw/zinc/49/13/08/523491308.db2.gz	QGQQLRXVVRUWGI-SSDVNMTOSA-N	0	0	449.757	6.176	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)cc1OC	ZINC000012804275	523542889	/nfs/dbraw/zinc/54/28/89/523542889.db2.gz	JXMJTDSRDIOZLS-ZHACJKMWSA-N	0	0	436.533	5.358	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(F)cc2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973287	523635791	/nfs/dbraw/zinc/63/57/91/523635791.db2.gz	OMANEKXMTXNAGL-UHFFFAOYSA-N	0	0	449.574	5.223	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)c1C	ZINC000032971661	523638012	/nfs/dbraw/zinc/63/80/12/523638012.db2.gz	BOYKVHDJHNIOIX-UHFFFAOYSA-N	0	0	449.574	5.355	50	30		IKEARN
CN(c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12)C1CCCCC1	ZINC000008809746	523641551	/nfs/dbraw/zinc/64/15/51/523641551.db2.gz	UGFITLSNCZNJIC-WPWMEQJKSA-N	0	0	427.504	7.014	50	30		IKEARN
CN(c1ccccc1)c1ccc(/C=C/C(=O)c2ccc(-c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000015978374	523651562	/nfs/dbraw/zinc/65/15/62/523651562.db2.gz	MJULQQBEXPUNPJ-CPNJWEJPSA-N	0	0	434.495	6.926	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl	ZINC000013482300	523669454	/nfs/dbraw/zinc/66/94/54/523669454.db2.gz	SRSOJXJDJDRYLG-CGQHOMIXSA-N	0	0	431.319	5.224	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)cc1	ZINC000021722429	523678553	/nfs/dbraw/zinc/67/85/53/523678553.db2.gz	NCBGUCIAQKSRMA-RUZDIDTESA-N	0	0	442.515	5.745	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cccc(C)c2[nH]c1=O	ZINC000009292715	523708337	/nfs/dbraw/zinc/70/83/37/523708337.db2.gz	AGCQTMJQYRCWGT-CCVNUDIWSA-N	0	0	434.503	5.238	50	30		IKEARN
CN(/N=C/c1ccc(C(C)(C)C)cc1)c1cnn(-c2ccc(F)c(Cl)c2)c(=O)c1Cl	ZINC000020615612	523769449	/nfs/dbraw/zinc/76/94/49/523769449.db2.gz	ULBZBUIKJYBSFT-RPPGKUMJSA-N	0	0	447.341	5.446	50	30		IKEARN
COc1ccc(C(=O)[C@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000019816560	523780219	/nfs/dbraw/zinc/78/02/19/523780219.db2.gz	YMCXLLPIHSKVQS-ARNLJNQMSA-N	0	0	437.524	5.167	50	30		IKEARN
COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)S/C1=N\c1ccccc1	ZINC000008400414	523785297	/nfs/dbraw/zinc/78/52/97/523785297.db2.gz	LPEWYPMWXQNSGF-JTUXUYRKSA-N	0	0	448.544	5.107	50	30		IKEARN
COCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1	ZINC000096803920	523785460	/nfs/dbraw/zinc/78/54/60/523785460.db2.gz	APARRRRJBVTTQW-SHSCQTOKSA-N	0	0	429.501	5.069	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002081682	523876682	/nfs/dbraw/zinc/87/66/82/523876682.db2.gz	KBLXMUMJJKKJAP-NMRWETQTSA-N	0	0	430.548	6.759	50	30		IKEARN
CN(C)C=[NH+]C([O-])=C(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl	ZINC000012861387	523968308	/nfs/dbraw/zinc/96/83/08/523968308.db2.gz	SMISJDSFXHUEBI-LNILKRBFSA-N	0	0	438.664	5.309	50	30		IKEARN
CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1	ZINC000003041722	523993043	/nfs/dbraw/zinc/99/30/43/523993043.db2.gz	IIOQULHHIKEEGA-COOPMVRXSA-N	0	0	442.588	5.103	50	30		IKEARN
CN1CCc2c(C#N)c(SCc3ccc(Cl)c(Cl)c3)nc(N3CCCC3)c2C1	ZINC000020663651	523994738	/nfs/dbraw/zinc/99/47/38/523994738.db2.gz	VOURRRMZPSHLRS-UHFFFAOYSA-N	0	0	433.408	5.140	50	30		IKEARN
CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@@H](C)c2ccccc2)cc1	ZINC000024758913	524007649	/nfs/dbraw/zinc/00/76/49/524007649.db2.gz	RWJQJURBJLDNQS-SFHVURJKSA-N	0	0	441.560	5.447	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006197638	524052067	/nfs/dbraw/zinc/05/20/67/524052067.db2.gz	WLIPUUDIJUGUGY-VWLOTQADSA-N	0	0	444.575	5.500	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1	ZINC000013571036	524059956	/nfs/dbraw/zinc/05/99/56/524059956.db2.gz	QEHNNDUUHHJSQI-HXUWFJFHSA-N	0	0	430.485	5.235	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000013569452	524060448	/nfs/dbraw/zinc/06/04/48/524060448.db2.gz	WRRZDJSSYKHCQI-JOCHJYFZSA-N	0	0	440.524	5.642	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1	ZINC000013571034	524060467	/nfs/dbraw/zinc/06/04/67/524060467.db2.gz	QEHNNDUUHHJSQI-FQEVSTJZSA-N	0	0	430.485	5.235	50	30		IKEARN
CNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1	ZINC000021722390	524077130	/nfs/dbraw/zinc/07/71/30/524077130.db2.gz	UPRZMAGQQCKCLP-GKVSMKOHSA-N	0	0	443.503	5.002	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000000710575	524107423	/nfs/dbraw/zinc/10/74/23/524107423.db2.gz	PQEHEKCBFSELGZ-RUZDIDTESA-N	0	0	445.559	5.085	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000027547204	524109141	/nfs/dbraw/zinc/10/91/41/524109141.db2.gz	FMXAVHXMSUUXJW-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008857110	524109555	/nfs/dbraw/zinc/10/95/55/524109555.db2.gz	CTIPLYGVRCKMJB-DRXICBGTSA-N	0	0	431.488	5.157	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC	ZINC000000709514	524131480	/nfs/dbraw/zinc/13/14/80/524131480.db2.gz	OJVSDPMGDOHGSH-DWXRJYCRSA-N	0	0	426.516	5.683	50	30		IKEARN
Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000021722280	524147073	/nfs/dbraw/zinc/14/70/73/524147073.db2.gz	JSJJKZFMYQJYKV-VWLOTQADSA-N	0	0	427.504	6.109	50	30		IKEARN
Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1	ZINC000021356000	524147662	/nfs/dbraw/zinc/14/76/62/524147662.db2.gz	VCSCNWKOKQMZNU-RUZDIDTESA-N	0	0	443.572	6.577	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1	ZINC000001409138	524186635	/nfs/dbraw/zinc/18/66/35/524186635.db2.gz	JQTIPGOKXZTPEI-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O	ZINC000000815892	524187032	/nfs/dbraw/zinc/18/70/32/524187032.db2.gz	XYKAAHIVTFOQNE-HFJWLAOPSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@@]1(C)Cc1ccccc1	ZINC000027495850	524245031	/nfs/dbraw/zinc/24/50/31/524245031.db2.gz	VDURZFJPJBGVOM-VWLOTQADSA-N	0	0	434.008	6.383	50	30		IKEARN
COc1ccccc1/C=C/C=C1\CC(C(C)(C)C)C/C(=C\C=C\c2ccccc2OC)C1=O	ZINC000004531643	524315608	/nfs/dbraw/zinc/31/56/08/524315608.db2.gz	VQJJXFQTUPJNFO-BLVLBNKCSA-N	0	0	442.599	7.308	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O	ZINC000002420836	524315763	/nfs/dbraw/zinc/31/57/63/524315763.db2.gz	ILKXCWVEDGJAFZ-YUMLRZHGSA-N	0	0	436.866	6.239	50	30		IKEARN
COc1ccccc1CN=Nc1nc(-c2ccc(F)cc2)c(NC(=O)c2ccccc2)s1	ZINC000016751354	524325885	/nfs/dbraw/zinc/32/58/85/524325885.db2.gz	OIWVXMWFQDKOLF-CVKSISIWSA-N	0	0	446.507	5.656	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c1	ZINC000027520684	524360110	/nfs/dbraw/zinc/36/01/10/524360110.db2.gz	KEOXEUXONYSXGV-RGVLZGJSSA-N	0	0	443.355	6.762	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)c1	ZINC000027520679	524360265	/nfs/dbraw/zinc/36/02/65/524360265.db2.gz	IRVYREFMGMQWIV-WQRHYEAKSA-N	0	0	430.371	5.024	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)c1	ZINC000020132782	524409381	/nfs/dbraw/zinc/40/93/81/524409381.db2.gz	XJYWMGUXSGHDBJ-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000020345347	524420084	/nfs/dbraw/zinc/42/00/84/524420084.db2.gz	VAJSXTWRMFMWNY-HHHXNRCGSA-N	0	0	441.531	5.515	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)cc1	ZINC000020558796	524486351	/nfs/dbraw/zinc/48/63/51/524486351.db2.gz	JTYSBGWNNOURLW-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1	ZINC000020575686	524486709	/nfs/dbraw/zinc/48/67/09/524486709.db2.gz	FWKOGAZNEVNWLC-BKUYFWCQSA-N	0	0	438.574	5.160	50	30		IKEARN
Cc1cccc(Cl)c1OCc1ccc(C=NN2C(=S)N=NC2c2cccs2)o1	ZINC000020617955	524488453	/nfs/dbraw/zinc/48/84/53/524488453.db2.gz	NNOSCIQTJDAIIT-UFFVCSGVSA-N	0	0	430.942	5.311	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)c1	ZINC000013286047	524531123	/nfs/dbraw/zinc/53/11/23/524531123.db2.gz	UQQFEPJXAYJMTO-QDJRPKQISA-N	0	0	429.570	6.174	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2O)c1	ZINC000013286109	524531383	/nfs/dbraw/zinc/53/13/83/524531383.db2.gz	LHVASEXWARVMIH-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\Cc2ccccc2)c1	ZINC000013286058	524532185	/nfs/dbraw/zinc/53/21/85/524532185.db2.gz	MICJGFDZXCOTBN-SLJQUXCSSA-N	0	0	443.597	6.042	50	30		IKEARN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1	ZINC000009264217	524561054	/nfs/dbraw/zinc/56/10/54/524561054.db2.gz	QRQLZJVNQOGLIB-DEOSSOPVSA-N	0	0	429.476	5.501	50	30		IKEARN
Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C	ZINC000021722677	524596802	/nfs/dbraw/zinc/59/68/02/524596802.db2.gz	YVLTZMSDPDMRNI-HHHXNRCGSA-N	0	0	441.531	5.515	50	30		IKEARN
Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@H]1CCCO1	ZINC000012693137	524603393	/nfs/dbraw/zinc/60/33/93/524603393.db2.gz	XSQBKRJUWPOFGY-HXUWFJFHSA-N	0	0	447.560	5.131	50	30		IKEARN
Cc1cc(C2=CSC(=C3C=CC(=NC(=O)c4ccco4)C=C3)N2)c(C)n1C[C@@H]1CCCO1	ZINC000012693131	524603826	/nfs/dbraw/zinc/60/38/26/524603826.db2.gz	XSQBKRJUWPOFGY-FQEVSTJZSA-N	0	0	447.560	5.131	50	30		IKEARN
COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	ZINC000021722358	524612913	/nfs/dbraw/zinc/61/29/13/524612913.db2.gz	NUGJZDQWIIMPQF-DEOSSOPVSA-N	0	0	445.544	5.969	50	30		IKEARN
Cc1ccc(C[C@@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	ZINC000013147976	524651099	/nfs/dbraw/zinc/65/10/99/524651099.db2.gz	WTCGDZPSPLEHQS-QFIPXVFZSA-N	0	0	430.964	6.123	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)c1	ZINC000064874106	524663593	/nfs/dbraw/zinc/66/35/93/524663593.db2.gz	VZUMHIHYNAEIOQ-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)c1	ZINC000064874092	524663798	/nfs/dbraw/zinc/66/37/98/524663798.db2.gz	CJHFHLVPPIMLAI-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)c1	ZINC000064873947	524664268	/nfs/dbraw/zinc/66/42/68/524664268.db2.gz	ZWQGFFFWTRPOAI-HSZRJFAPSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)c1	ZINC000064874094	524664568	/nfs/dbraw/zinc/66/45/68/524664568.db2.gz	CJHFHLVPPIMLAI-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)sc2C1	ZINC000033000076	524720030	/nfs/dbraw/zinc/72/00/30/524720030.db2.gz	WEKULDGCPFUSPF-CYBMUJFWSA-N	0	0	440.956	5.409	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000002242922	524743246	/nfs/dbraw/zinc/74/32/46/524743246.db2.gz	NCOITTTVHHXZIC-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000019867065	524744946	/nfs/dbraw/zinc/74/49/46/524744946.db2.gz	BVHGKMCFFRAWEG-UQBPGWFLSA-N	0	0	431.532	5.008	50	30		IKEARN
COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1	ZINC000009264189	524804160	/nfs/dbraw/zinc/80/41/60/524804160.db2.gz	HANDTTIIHNGZHT-MHZLTWQESA-N	0	0	444.962	6.529	50	30		IKEARN
C[C@H]1C[C@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1	ZINC000020647088	524885659	/nfs/dbraw/zinc/88/56/59/524885659.db2.gz	ASMRQDHESBTGRW-KJJUKEMKSA-N	0	0	432.347	5.793	50	30		IKEARN
Cc1ccc(N(CCC#N)C(=O)[C@@H](C)Sc2nc(C)nc3sc4c(c32)CCC4)cc1	ZINC000023406860	524897743	/nfs/dbraw/zinc/89/77/43/524897743.db2.gz	HMDBGICISPUTHV-OAHLLOKOSA-N	0	0	436.606	5.224	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1	ZINC000009559871	524910566	/nfs/dbraw/zinc/91/05/66/524910566.db2.gz	ZYDCFFHSFVTXPW-PXAZEXFGSA-N	0	0	446.330	5.015	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C([O-])c3cccs3)[C@H]2c2cccc(C(F)(F)F)c2)cc1	ZINC000012641432	524918002	/nfs/dbraw/zinc/91/80/02/524918002.db2.gz	QZPOJIVWTYMZEB-LJQANCHMSA-N	0	0	443.446	5.858	50	30		IKEARN
COc1ccc(OCCCOc2ccc(C)cc2)c(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000012464195	524949657	/nfs/dbraw/zinc/94/96/57/524949657.db2.gz	TXCWOMLOVXZTKQ-YZSQISJMSA-N	0	0	447.560	5.907	50	30		IKEARN
Cc1cccc2c1Oc1nn(-c3ccccc3)c(/N=C/c3ccc(C(F)(F)F)cc3)c1C2	ZINC000020849539	524962031	/nfs/dbraw/zinc/96/20/31/524962031.db2.gz	RUBBXXHQWUOKAU-WKULSOCRSA-N	0	0	433.433	6.647	50	30		IKEARN
COc1ccc(OCc2cc(/C=C/C(=O)c3ccc(-n4ccnc4)cc3)ccc2OC)cc1	ZINC000013640485	524972556	/nfs/dbraw/zinc/97/25/56/524972556.db2.gz	IIYXLHHZHOMYDA-QLKAYGNNSA-N	0	0	440.499	5.365	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)nc1	ZINC000013319833	525020067	/nfs/dbraw/zinc/02/00/67/525020067.db2.gz	AUCKOSJKLBGHCU-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccc(F)cc3)c(=O)c2sc1=S	ZINC000003026548	525026289	/nfs/dbraw/zinc/02/62/89/525026289.db2.gz	FEAVLTLBVRKJRS-UHFFFAOYSA-N	0	0	440.550	5.031	50	30		IKEARN
Cc1ccccc1/C=C/C(=O)c1c(=O)n(C(C)C)c2ccc(Cl)cc2c1-c1ccccc1	ZINC000069375182	525039119	/nfs/dbraw/zinc/03/91/19/525039119.db2.gz	UTNIVIKWTXGUOG-DTQAZKPQSA-N	0	0	441.958	7.107	50	30		IKEARN
Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1	ZINC000021722028	525060768	/nfs/dbraw/zinc/06/07/68/525060768.db2.gz	CQUACJYGCKLNBJ-SANMLTNESA-N	0	0	443.572	5.676	50	30		IKEARN
Cc1ccccc1C(=O)[C@@H]1[C@@H](c2ccccc2)C(C#N)(C#N)[C@H]2C=Cc3cc(Cl)ccc3N21	ZINC000008809678	525068432	/nfs/dbraw/zinc/06/84/32/525068432.db2.gz	KGUGLYDUGZOWPB-CYXNTTPDSA-N	0	0	449.941	5.933	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC	ZINC000000812851	525233682	/nfs/dbraw/zinc/23/36/82/525233682.db2.gz	KEJCZAYCFMYQRW-SOKVYYICSA-N	0	0	444.506	5.822	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)cc1C	ZINC000064874270	525256442	/nfs/dbraw/zinc/25/64/42/525256442.db2.gz	MRFWWEHVTHVRCV-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccccc1Cl	ZINC000064874255	525265059	/nfs/dbraw/zinc/26/50/59/525265059.db2.gz	OUOHNIRUWMXYLR-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@@H](c3ccccc3)N(c3ccccn3)C2=O)cc1	ZINC000008407924	525267048	/nfs/dbraw/zinc/26/70/48/525267048.db2.gz	HPJZGHZBCROJNA-HHHXNRCGSA-N	0	0	445.522	5.727	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1	ZINC000000720524	525268234	/nfs/dbraw/zinc/26/82/34/525268234.db2.gz	GFHWUBIEAVZQDB-BZQUYTCOSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O	ZINC000009601030	525268468	/nfs/dbraw/zinc/26/84/68/525268468.db2.gz	NKJHSBJSERJWFG-JRPXNJEYSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC	ZINC000000815914	525268710	/nfs/dbraw/zinc/26/87/10/525268710.db2.gz	AVDNCSPUPQTZCG-NGOKVRLYSA-N	0	0	440.543	5.992	50	30		IKEARN
Cc1cc([O-])c(C[NH+](CC(C)C)CC(C)C)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020650339	525314744	/nfs/dbraw/zinc/31/47/44/525314744.db2.gz	OQJAVNIHGRVLGU-MSXFZWOLSA-N	0	0	433.548	6.177	50	30		IKEARN
COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1	ZINC000004546931	525345544	/nfs/dbraw/zinc/34/55/44/525345544.db2.gz	RZWAHTGGSSNXIY-UIOOFZCWSA-N	0	0	439.942	7.166	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O	ZINC000252623210	525349276	/nfs/dbraw/zinc/34/92/76/525349276.db2.gz	OMJIZRMQBBHMOY-WFJQYXISSA-N	0	0	441.453	7.444	50	30	biogenic	IKEARN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009379998	525387671	/nfs/dbraw/zinc/38/76/71/525387671.db2.gz	MALXMVHNCKIESU-QFIPXVFZSA-N	0	0	433.891	5.127	50	30		IKEARN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(SC(F)(F)F)cc1	ZINC000040088403	525388202	/nfs/dbraw/zinc/38/82/02/525388202.db2.gz	NGEGTHFIGDJQOJ-UHFFFAOYSA-N	0	0	429.423	5.918	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC	ZINC000000709632	525398723	/nfs/dbraw/zinc/39/87/23/525398723.db2.gz	SQPJLGCMLIETMA-QUGAMOGWSA-N	0	0	446.572	6.053	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1	ZINC000000681732	525398735	/nfs/dbraw/zinc/39/87/35/525398735.db2.gz	SGENHWCBNUIGCF-WRHNGFHOSA-N	0	0	435.527	6.156	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC	ZINC000028052545	525400794	/nfs/dbraw/zinc/40/07/94/525400794.db2.gz	IOCYXWBLZAIPPU-WAIKUNEKSA-N	0	0	434.467	5.098	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC	ZINC000028052521	525401113	/nfs/dbraw/zinc/40/11/13/525401113.db2.gz	HUMNHWCCBPONDM-HOYKHHGWSA-N	0	0	430.504	5.267	50	30		IKEARN
Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)[nH]c1Cc1ccccc1	ZINC000012550618	525413744	/nfs/dbraw/zinc/41/37/44/525413744.db2.gz	FHIFBRDJJJMDPX-AWEZNQCLSA-N	0	0	436.606	5.098	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000013568557	525431178	/nfs/dbraw/zinc/43/11/78/525431178.db2.gz	BNQZVNDPPTXWIL-WGDIFIGCSA-N	0	0	446.934	6.034	50	30		IKEARN
COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1	ZINC000013510873	525436210	/nfs/dbraw/zinc/43/62/10/525436210.db2.gz	UFDWOEGWKFJWOX-WEWMWRJBSA-N	0	0	431.495	5.105	50	30		IKEARN
COc1ccc([C@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012612045	525439004	/nfs/dbraw/zinc/43/90/04/525439004.db2.gz	XUCXOTNIKLAVIN-QHCPKHFHSA-N	0	0	431.511	5.529	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1	ZINC000018152141	525483049	/nfs/dbraw/zinc/48/30/49/525483049.db2.gz	LVZFJEWUZGATPC-YYADALCUSA-N	0	0	436.920	5.019	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1	ZINC000012445217	525502152	/nfs/dbraw/zinc/50/21/52/525502152.db2.gz	DJWUJXOFCGPZHH-HXUWFJFHSA-N	0	0	425.315	6.706	50	30		IKEARN
Cc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(C)n1C1CC1	ZINC000012562903	525552660	/nfs/dbraw/zinc/55/26/60/525552660.db2.gz	DELCHVFJSPRIGE-VWLOTQADSA-N	0	0	440.591	6.135	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C\c3ccc(C(C)(C)C)cc3)cc2)cc1	ZINC000035078926	525597033	/nfs/dbraw/zinc/59/70/33/525597033.db2.gz	UPOMMTKKTGMQLV-NVMNQCDNSA-N	0	0	433.573	5.989	50	30		IKEARN
CSCC[C@H]1c2c(C)nn(-c3nc4ccccc4s3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000012555254	525598667	/nfs/dbraw/zinc/59/86/67/525598667.db2.gz	YJOQTSVEXFWMEO-AWEZNQCLSA-N	0	0	438.622	5.696	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4cccs4)ccc3C1=O)cn2C	ZINC000008993441	525599982	/nfs/dbraw/zinc/59/99/82/525599982.db2.gz	HNTITLSLSRARKI-UFFVCSGVSA-N	0	0	431.469	5.084	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C	ZINC000028182503	525600155	/nfs/dbraw/zinc/60/01/55/525600155.db2.gz	FFLARXNIEYFXAT-GATIEOLUSA-N	0	0	445.902	6.036	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1	ZINC000257346688	525623672	/nfs/dbraw/zinc/62/36/72/525623672.db2.gz	KNJVWAVLNHNHKV-RGUSOMRDSA-N	0	0	430.654	6.502	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000245238995	525623859	/nfs/dbraw/zinc/62/38/59/525623859.db2.gz	DJKUHJBPRWSFHW-HFCOYQBISA-N	0	0	430.654	6.502	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1	ZINC000032828836	525628258	/nfs/dbraw/zinc/62/82/58/525628258.db2.gz	FJKVPUGGJCDBFY-OAQYLSRUSA-N	0	0	437.590	5.402	50	30		IKEARN
COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000008456297	525650991	/nfs/dbraw/zinc/65/09/91/525650991.db2.gz	FEMIEZRCXCANGU-ZEHKLFRWSA-N	0	0	436.536	6.657	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(OC(F)F)cc3)cc2[N+](=O)[O-])cc1	ZINC000015979099	525669879	/nfs/dbraw/zinc/66/98/79/525669879.db2.gz	VSBQPCNLHHCOQI-UUILKARUSA-N	0	0	441.455	6.552	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000008413277	525675864	/nfs/dbraw/zinc/67/58/64/525675864.db2.gz	VVJIIMFCLMYORP-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12	ZINC000008993207	525679481	/nfs/dbraw/zinc/67/94/81/525679481.db2.gz	XZQKBCKJWBUOHW-LUOAPIJWSA-N	0	0	448.889	5.028	50	30		IKEARN
Cc1c(C)n(C2CCCC2)c(NC(=O)COC(=O)c2ccccc2SC(F)F)c1C#N	ZINC000012478939	525680667	/nfs/dbraw/zinc/68/06/67/525680667.db2.gz	ALLVGJFBZYMRDK-UHFFFAOYSA-N	0	0	447.507	5.202	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2nc3ccccc3s2)c1C#N	ZINC000057290051	525681340	/nfs/dbraw/zinc/68/13/40/525681340.db2.gz	YTLCRADGHOEFTP-UHFFFAOYSA-N	0	0	435.597	5.162	50	30		IKEARN
Cc1ccc(-c2cc(/C=C/c3ccc4c(c3)OCO4)c(C#N)c3nc4ccccc4n32)cc1	ZINC000012546257	525715535	/nfs/dbraw/zinc/71/55/35/525715535.db2.gz	JZBIZRLRAUIMER-XYOKQWHBSA-N	0	0	429.479	6.234	50	30		IKEARN
Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(CCC#N)c4)c3n2)cc1	ZINC000009775302	525732564	/nfs/dbraw/zinc/73/25/64/525732564.db2.gz	HGNZWZJOSASZGC-UHFFFAOYSA-N	0	0	449.436	5.432	50	30		IKEARN
Cc1c(Cc2ccccc2)sc(/N=C/c2ccccc2OCc2ccccc2)c1C(N)=O	ZINC000002133690	525739721	/nfs/dbraw/zinc/73/97/21/525739721.db2.gz	BWDBEDALCGQOSI-STBIYBPSSA-N	0	0	440.568	6.076	50	30		IKEARN
COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1	ZINC000008437054	525761514	/nfs/dbraw/zinc/76/15/14/525761514.db2.gz	XVPZVSNYEKASNZ-UYRXBGFRSA-N	0	0	445.471	5.286	50	30		IKEARN
COc1cccc(/C=N/c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl	ZINC000100383990	525774512	/nfs/dbraw/zinc/77/45/12/525774512.db2.gz	WJFSQIFQKBKHBG-VULFUBBASA-N	0	0	429.347	6.398	50	30		IKEARN
COc1cccc(C(=O)C=CNc2ccc(NC=CC(=O)c3cccc(OC)c3)cc2)c1	ZINC000002300121	525780427	/nfs/dbraw/zinc/78/04/27/525780427.db2.gz	UGZFJQIQAGKUKL-WXUKJITCSA-N	0	0	428.488	5.321	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000006407948	525787148	/nfs/dbraw/zinc/78/71/48/525787148.db2.gz	GFBWHKMHZFPNDT-IVZQSRNASA-N	0	0	427.591	5.431	50	30		IKEARN
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1	ZINC000000994428	525789621	/nfs/dbraw/zinc/78/96/21/525789621.db2.gz	NVDLQMQDNXREAN-HHHXNRCGSA-N	0	0	440.543	5.974	50	30		IKEARN
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000020606254	525934735	/nfs/dbraw/zinc/93/47/35/525934735.db2.gz	YBSVIYLDKAMQIP-ZIAGYGMSSA-N	0	0	427.526	5.085	50	30		IKEARN
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000020606252	525940777	/nfs/dbraw/zinc/94/07/77/525940777.db2.gz	YBSVIYLDKAMQIP-KBPBESRZSA-N	0	0	427.526	5.085	50	30		IKEARN
Cc1ccc(/C=C2/SC(=S)N(/N=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1	ZINC000012273879	525959397	/nfs/dbraw/zinc/95/93/97/525959397.db2.gz	IVPFVTFQOUFMCQ-WCEDTRLTSA-N	0	0	449.513	5.399	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000009113494	525982235	/nfs/dbraw/zinc/98/22/35/525982235.db2.gz	VVLLUTNDRUIFPM-MWTRTKDXSA-N	0	0	441.618	5.679	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1	ZINC000064874083	525986548	/nfs/dbraw/zinc/98/65/48/525986548.db2.gz	XQSGFJVHESHMTG-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000015303962	525987228	/nfs/dbraw/zinc/98/72/28/525987228.db2.gz	LLNRKJFJWZESND-NIYFSFCBSA-N	0	0	448.488	6.993	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000001123569	525987711	/nfs/dbraw/zinc/98/77/11/525987711.db2.gz	CJXMQLAXIVLDAD-WXTAPIANSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc(C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)c2nc3ccccc3o2)cc1	ZINC000008858232	526013631	/nfs/dbraw/zinc/01/36/31/526013631.db2.gz	OSKFBRDHMDXVKP-JWGURIENSA-N	0	0	439.898	7.473	50	30		IKEARN
Cc1ccc(C(=O)/C=C/c2cn(C[C@@H](O)CN3CCc4ccccc43)c3ccccc23)cc1	ZINC000008611811	526015231	/nfs/dbraw/zinc/01/52/31/526015231.db2.gz	SACYANIVAVEYTE-MIFWMJNYSA-N	0	0	436.555	5.269	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)(C)C)cc2)o1	ZINC000008996553	526023769	/nfs/dbraw/zinc/02/37/69/526023769.db2.gz	GQNKIKRBGGKUKO-JOCHJYFZSA-N	0	0	430.504	5.059	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984413	526030986	/nfs/dbraw/zinc/03/09/86/526030986.db2.gz	KVGDLSHRTQQERX-UHFFFAOYSA-N	0	0	449.547	6.216	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000000681727	526042560	/nfs/dbraw/zinc/04/25/60/526042560.db2.gz	MWVFFRFOJIOESC-AFMDSPMNSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000000681725	526043505	/nfs/dbraw/zinc/04/35/05/526043505.db2.gz	MWVFFRFOJIOESC-NIYFSFCBSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020849697	526046215	/nfs/dbraw/zinc/04/62/15/526046215.db2.gz	WPTSZLWFLAHUPM-HXUWFJFHSA-N	0	0	428.492	5.494	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000004793372	526046831	/nfs/dbraw/zinc/04/68/31/526046831.db2.gz	IJYDOFLNIGXWJM-OAQYLSRUSA-N	0	0	443.572	5.656	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000001185119	526078085	/nfs/dbraw/zinc/07/80/85/526078085.db2.gz	VOAABNTYLFSTQX-AREMUKBSSA-N	0	0	440.568	6.225	50	30		IKEARN
Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C)cc1	ZINC000012492160	526080570	/nfs/dbraw/zinc/08/05/70/526080570.db2.gz	SXIQDAJJHZBHMM-BWAHOGKJSA-N	0	0	431.539	6.702	50	30		IKEARN
Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1	ZINC000013424261	526095518	/nfs/dbraw/zinc/09/55/18/526095518.db2.gz	VPOOTIZUKSQPMW-UVTDQMKNSA-N	0	0	444.328	6.162	50	30		IKEARN
CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)c1	ZINC000032984264	526107424	/nfs/dbraw/zinc/10/74/24/526107424.db2.gz	QTQGWMLKESJHEE-UHFFFAOYSA-N	0	0	435.570	5.675	50	30		IKEARN
C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1	ZINC000006498689	526209713	/nfs/dbraw/zinc/20/97/13/526209713.db2.gz	COFDEJPZEYLXTK-QLXKLKPCSA-N	0	0	428.488	5.112	50	30		IKEARN
Cc1ccc(C(=O)Nc2cccc(/C=C(\C(=O)c3ccccc3)C(=O)C(F)(F)F)c2)cc1	ZINC000096870912	526223889	/nfs/dbraw/zinc/22/38/89/526223889.db2.gz	SNXHIMZJNQDTNS-RCCKNPSSSA-N	0	0	437.417	5.645	50	30		IKEARN
C[C@@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21	ZINC000230144274	526224343	/nfs/dbraw/zinc/22/43/43/526224343.db2.gz	FMTLDGNAGVCGTD-CPJLOUKISA-N	0	0	426.564	5.780	50	30		IKEARN
Cc1ccc(C(C)C)c(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1	ZINC000013894659	526248248	/nfs/dbraw/zinc/24/82/48/526248248.db2.gz	TUUFBQSLMZFIEO-OVVQPSECSA-N	0	0	447.535	6.321	50	30		IKEARN
Cc1ccc2[nH]c(=NC(=NS(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1	ZINC000013637464	526251304	/nfs/dbraw/zinc/25/13/04/526251304.db2.gz	AFYKSRZKQNSDIX-UHFFFAOYSA-N	0	0	447.994	5.567	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000013896096	526292083	/nfs/dbraw/zinc/29/20/83/526292083.db2.gz	KKEWDDSIGZQNBQ-FEDGQQDLSA-N	0	0	436.714	6.621	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2cccc(OCc3ccc(Cl)cc3)c2)c(F)c1F	ZINC000016399531	526293672	/nfs/dbraw/zinc/29/36/72/526293672.db2.gz	QBXFQVLTLNLCDL-OXUBWTJQSA-N	0	0	426.772	6.061	50	30		IKEARN
Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-n2cnc3ccccc32)cc1	ZINC000012684781	526315179	/nfs/dbraw/zinc/31/51/79/526315179.db2.gz	RCDAMWAUGBPBAE-DTQAZKPQSA-N	0	0	431.499	5.369	50	30		IKEARN
Oc1ccc(Br)cc1CN=Nc1ncnc2scc(-c3ccccc3)c21	ZINC000009344405	526342224	/nfs/dbraw/zinc/34/22/24/526342224.db2.gz	KEICPTUDLMCUBO-NUGSKGIGSA-N	0	0	425.311	5.272	50	30		IKEARN
O=C([O-])c1ccc(NC(NCCc2ccccc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304878	526372358	/nfs/dbraw/zinc/37/23/58/526372358.db2.gz	BCGRRYGRGBPJGG-UHFFFAOYSA-N	0	0	445.607	5.592	50	30		IKEARN
Fc1cccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1	ZINC000013304461	526381685	/nfs/dbraw/zinc/38/16/85/526381685.db2.gz	GYCLWOGZMAPNDQ-CVKSISIWSA-N	0	0	447.311	6.158	50	30		IKEARN
S=c1[n-]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1ccccc1	ZINC000013658332	526387117	/nfs/dbraw/zinc/38/71/17/526387117.db2.gz	XUABPJVSOFIUNS-OEAKJJBVSA-N	0	0	428.546	5.404	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c2ccccc2cc2ccccc21	ZINC000239165247	526390142	/nfs/dbraw/zinc/39/01/42/526390142.db2.gz	NTOXDXURZCUULB-UHFFFAOYSA-N	0	0	449.366	6.729	50	30		IKEARN
N#CC(CCCCC(C#N)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000001673518	526430055	/nfs/dbraw/zinc/43/00/55/526430055.db2.gz	CRFRCHLTAYEDAD-UHFFFAOYSA-N	0	0	440.590	7.567	50	30		IKEARN
O=C(O[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000012261629	526436376	/nfs/dbraw/zinc/43/63/76/526436376.db2.gz	NMXGNMKXWUAPGX-INIZCTEOSA-N	0	0	449.322	5.040	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1)C2=O)N(c1ccccc1)c1ccccc1	ZINC000013653673	526443381	/nfs/dbraw/zinc/44/33/81/526443381.db2.gz	RXODHIGWJAQSBO-ITYLOYPMSA-N	0	0	433.463	6.640	50	30		IKEARN
O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1cccc(Br)c1	ZINC000033347497	526446851	/nfs/dbraw/zinc/44/68/51/526446851.db2.gz	DREXLKILYVSAOE-DEDYPNTBSA-N	0	0	437.314	5.998	50	30		IKEARN
c1ccc(-c2nc(N=NC3c4ccccc4-c4ccccc43)sc2-c2ccccc2)cc1	ZINC000051329856	526454693	/nfs/dbraw/zinc/45/46/93/526454693.db2.gz	XWIYEJFALCZHQB-UHFFFAOYSA-N	0	0	429.548	7.322	50	30		IKEARN
N#CCCSc1ccccc1NC(=O)c1ccc(Cl)cc1I	ZINC000078668647	526462968	/nfs/dbraw/zinc/46/29/68/526462968.db2.gz	AHGCFRBABCYRNF-UHFFFAOYSA-N	0	0	442.709	5.203	50	30		IKEARN
N#C[C@@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1	ZINC000071415887	526494828	/nfs/dbraw/zinc/49/48/28/526494828.db2.gz	VAQHLYITMJLBCV-QHCPKHFHSA-N	0	0	448.551	5.400	50	30		IKEARN
N#C[C@@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12	ZINC000000850343	526502797	/nfs/dbraw/zinc/50/27/97/526502797.db2.gz	MZHSLOSHZGMASS-UEYYRQBOSA-N	0	0	441.534	6.560	50	30		IKEARN
Cc1n[nH]c(C)c1Sc1ccccc1/N=C1\C(=O)Nc2c1cc(C)cc2Br	ZINC000008386344	526504964	/nfs/dbraw/zinc/50/49/64/526504964.db2.gz	PRWLKUINVQJXBU-UHFFFAOYSA-N	0	0	441.354	5.322	50	30		IKEARN
N#Cc1c(N)nc2sc(C(=O)c3ccc(-c4ccccc4)cc3)c(N)c2c1-c1ccccc1	ZINC000020840780	526528244	/nfs/dbraw/zinc/52/82/44/526528244.db2.gz	OVYRSTORYRNKFS-UHFFFAOYSA-N	0	0	446.535	5.897	50	30		IKEARN
N#Cc1c(NC(=O)CO/N=C/c2cccs2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000002403557	526529521	/nfs/dbraw/zinc/52/95/21/526529521.db2.gz	QLEUAUCXSXUIOE-CVKSISIWSA-N	0	0	427.485	5.536	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CCCc1nc(-c3ccc(Cl)cc3)no1)CCCC2	ZINC000033000074	526532447	/nfs/dbraw/zinc/53/24/47/526532447.db2.gz	RLKNCKNRMYVAGU-UHFFFAOYSA-N	0	0	426.929	5.163	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1nccn1-c1ccc(Cl)cc1)CCCC2	ZINC000012602866	526532514	/nfs/dbraw/zinc/53/25/14/526532514.db2.gz	RRQJUMQNOWTVNB-UHFFFAOYSA-N	0	0	428.970	5.068	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(-c2ccc(Cl)cc2)cc1/C=C/c1ccc2c(c1)OCO2	ZINC000033778161	526533831	/nfs/dbraw/zinc/53/38/31/526533831.db2.gz	QXBPFXXRLCVZJL-FNORWQNLSA-N	0	0	449.897	6.579	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(-c2ccc(F)c(Cl)c2)o1	ZINC000001004284	526534139	/nfs/dbraw/zinc/53/41/39/526534139.db2.gz	APMZEFXZOFHVBB-UHFFFAOYSA-N	0	0	427.826	5.533	50	30		IKEARN
N#Cc1ccc(C(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(F)cc2)cc1	ZINC000012600042	526586922	/nfs/dbraw/zinc/58/69/22/526586922.db2.gz	ZNOUGXUAZKNTMO-UHFFFAOYSA-N	0	0	447.922	6.178	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)c(F)c1	ZINC000012428823	526602441	/nfs/dbraw/zinc/60/24/41/526602441.db2.gz	VSEWAXUPKGQTOT-UHFFFAOYSA-N	0	0	426.234	6.065	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)cc1	ZINC000035839958	526632490	/nfs/dbraw/zinc/63/24/90/526632490.db2.gz	TUMBRIXGVNKHJC-UHFFFAOYSA-N	0	0	426.423	5.710	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000009530889	526675688	/nfs/dbraw/zinc/67/56/88/526675688.db2.gz	PUNJQDNEQDEVMZ-SPLOXXLWSA-N	0	0	425.315	6.248	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009482644	526676795	/nfs/dbraw/zinc/67/67/95/526676795.db2.gz	YDEVQCXZQIFRED-SZNDQCEHSA-N	0	0	441.314	5.954	50	30		IKEARN
O=C(c1ccc(F)cc1C(F)(F)F)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000022647586	526691794	/nfs/dbraw/zinc/69/17/94/526691794.db2.gz	SQZNDZZSKRKQBA-UHFFFAOYSA-N	0	0	433.367	5.958	50	30		IKEARN
N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1	ZINC000012757243	526739126	/nfs/dbraw/zinc/73/91/26/526739126.db2.gz	RGKVPMLJMVKWKK-WOJBJXKFSA-N	0	0	435.618	5.491	50	30		IKEARN
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1	ZINC000009390533	526743199	/nfs/dbraw/zinc/74/31/99/526743199.db2.gz	NHMGWNBGLQRNAC-UHFFFAOYSA-N	0	0	435.528	5.192	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1c(F)cccc1Cl)N2	ZINC000009861362	526798547	/nfs/dbraw/zinc/79/85/47/526798547.db2.gz	ZUEWCCDXEGVPEP-RUZDIDTESA-N	0	0	446.909	6.296	50	30		IKEARN
N=C(NOC(=O)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F)c1ccc(Cl)cc1	ZINC000012369156	526803856	/nfs/dbraw/zinc/80/38/56/526803856.db2.gz	JDTKQDUEAOPONH-UHFFFAOYSA-N	0	0	443.208	5.750	50	30		IKEARN
N=C(NOC(=O)c1cccc(C(F)(F)F)c1)c1ccc(Oc2ccc(Cl)cc2)nc1	ZINC000012369854	526804512	/nfs/dbraw/zinc/80/45/12/526804512.db2.gz	MXOMABNOTBNZMF-UHFFFAOYSA-N	0	0	435.789	5.023	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(Cl)cc1	ZINC000020503273	526827099	/nfs/dbraw/zinc/82/70/99/526827099.db2.gz	SPHWAESSUMLAPL-RUZDIDTESA-N	0	0	447.922	5.552	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cc(F)ccc1F	ZINC000021722703	526827170	/nfs/dbraw/zinc/82/71/70/526827170.db2.gz	SALLTGFYYHQWOM-VWLOTQADSA-N	0	0	449.457	5.177	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1Cl	ZINC000020503269	526827265	/nfs/dbraw/zinc/82/72/65/526827265.db2.gz	IMRSGLGDIAWKDK-RUZDIDTESA-N	0	0	447.922	5.552	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(Cl)cc1	ZINC000020503275	526827838	/nfs/dbraw/zinc/82/78/38/526827838.db2.gz	SPHWAESSUMLAPL-VWLOTQADSA-N	0	0	447.922	5.552	50	30		IKEARN
Cc1sc(N=CNOC(=O)c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)c(Cl)c1	ZINC000012370117	526879069	/nfs/dbraw/zinc/87/90/69/526879069.db2.gz	SXKGJVNKFAPMSV-UHFFFAOYSA-N	0	0	430.873	5.201	50	30		IKEARN
Cc1nc(COc2ccc(C(=O)Nc3cccc(C#Cc4cccs4)c3)cc2)cs1	ZINC000012973412	526905928	/nfs/dbraw/zinc/90/59/28/526905928.db2.gz	BPTJCNWOOPABKK-UHFFFAOYSA-N	0	0	430.554	5.744	50	30		IKEARN
O=C1/C(=C\c2cccc(C(F)(F)F)c2)S/C(=N/c2ccccc2)N1Cc1ccco1	ZINC000013546740	526946441	/nfs/dbraw/zinc/94/64/41/526946441.db2.gz	BUQUYMMABQGASJ-JLDGAKEBSA-N	0	0	428.435	6.103	50	30		IKEARN
O=C1C(=NNc2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl	ZINC000020615716	526947519	/nfs/dbraw/zinc/94/75/19/526947519.db2.gz	QCPCXGCTXYECRB-LKUDQCMESA-N	0	0	441.274	5.265	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000102861247	526955959	/nfs/dbraw/zinc/95/59/59/526955959.db2.gz	KTVQIUIZLKMUFG-YDJIHCHBSA-N	0	0	439.298	5.010	50	30		IKEARN
O=C1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1	ZINC000017154880	526957618	/nfs/dbraw/zinc/95/76/18/526957618.db2.gz	ZWNJGNCJOKAGTH-ZUSIYWPSSA-N	0	0	444.494	5.527	50	30		IKEARN
O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21	ZINC000013583079	526960152	/nfs/dbraw/zinc/96/01/52/526960152.db2.gz	WCSNDIBBXOJAOR-WQQNLHNWSA-N	0	0	442.562	6.597	50	30		IKEARN
O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21	ZINC000009272396	526960617	/nfs/dbraw/zinc/96/06/17/526960617.db2.gz	WCSNDIBBXOJAOR-DLSWINDVSA-N	0	0	442.562	6.597	50	30		IKEARN
O=C1CC(c2ccccc2)CC(=O)C1=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000001037850	526961645	/nfs/dbraw/zinc/96/16/45/526961645.db2.gz	PUKJYFXSIZVOKE-UHFFFAOYSA-N	0	0	427.344	5.736	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)N2c1ccc(Cl)cc1	ZINC000000712377	526965888	/nfs/dbraw/zinc/96/58/88/526965888.db2.gz	HSAOUOCDHBXCPU-UHFFFAOYSA-N	0	0	448.906	5.866	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3ccccc3F)C12	ZINC000009856570	526969295	/nfs/dbraw/zinc/96/92/95/526969295.db2.gz	RMZBRMGTRPFGKU-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2	ZINC000017178668	526969320	/nfs/dbraw/zinc/96/93/20/526969320.db2.gz	FNEAMGRDWADKJD-IBGZPJMESA-N	0	0	433.508	5.178	50	30		IKEARN
Clc1ccccc1-c1nc2ccccc2c(N=NCc2ccc(Br)cc2)n1	ZINC000013756951	526985261	/nfs/dbraw/zinc/98/52/61/526985261.db2.gz	KGTDCOZSANZICY-ZMOGYAJESA-N	0	0	437.728	6.159	50	30		IKEARN
Clc1ccccc1/C=C/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000001955890	526985488	/nfs/dbraw/zinc/98/54/88/526985488.db2.gz	BTYMLZPPNWAYDA-CGKKIJBTSA-N	0	0	437.724	7.326	50	30		IKEARN
Clc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3Cl)cc2)cc1	ZINC000100483959	526987473	/nfs/dbraw/zinc/98/74/73/526987473.db2.gz	ALDSXUXLVATGJO-YAGSLNJISA-N	0	0	445.349	8.287	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2	ZINC000001082741	527022564	/nfs/dbraw/zinc/02/25/64/527022564.db2.gz	UXDRVWWJZZMUSG-AVRWGWEMSA-N	0	0	445.360	6.429	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000012349383	527023838	/nfs/dbraw/zinc/02/38/38/527023838.db2.gz	SLQSBFMATHCORO-AVRDEDQJSA-N	0	0	439.540	5.802	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2	ZINC000000672600	527024776	/nfs/dbraw/zinc/02/47/76/527024776.db2.gz	JKOMNYJZWAZQKC-BVZFJXPGSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000000709778	527032840	/nfs/dbraw/zinc/03/28/40/527032840.db2.gz	KKFOCULDYZFJPV-CLYVBNDRSA-N	0	0	434.495	5.773	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc(Cl)cc1	ZINC000009261312	527041848	/nfs/dbraw/zinc/04/18/48/527041848.db2.gz	QMQJEKHQXPJWHT-FYJGNVAPSA-N	0	0	438.911	5.950	50	30		IKEARN
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1	ZINC000013145559	527042960	/nfs/dbraw/zinc/04/29/60/527042960.db2.gz	KYZPDXKYUDWQMG-GZTJUZNOSA-N	0	0	430.913	6.115	50	30		IKEARN
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C/c1cccn1-c1ccc(Br)cc1	ZINC000001010917	527042977	/nfs/dbraw/zinc/04/29/77/527042977.db2.gz	XLWSKUBLWXTHOA-LDADJPATSA-N	0	0	442.313	5.271	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(O)c(Br)c1	ZINC000036245314	527043666	/nfs/dbraw/zinc/04/36/66/527043666.db2.gz	OZIYDCKYRPBCEY-VGOFMYFVSA-N	0	0	443.244	5.065	50	30		IKEARN
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1	ZINC000035646123	527043901	/nfs/dbraw/zinc/04/39/01/527043901.db2.gz	URWAZAFYBWPTNS-YVLHZVERSA-N	0	0	449.746	6.798	50	30		IKEARN
O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000100499064	527084488	/nfs/dbraw/zinc/08/44/88/527084488.db2.gz	BKVSGKFSOGKEMG-MLQDUXEUSA-N	0	0	427.451	6.052	50	30		IKEARN
O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1	ZINC000100878557	527103176	/nfs/dbraw/zinc/10/31/76/527103176.db2.gz	DCUGRKVJPDVMFU-FRMXWXCUSA-N	0	0	441.915	5.149	50	30		IKEARN
NC(=S)N/N=C/C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1	ZINC000002981296	527109702	/nfs/dbraw/zinc/10/97/02/527109702.db2.gz	SHIMQAFXPKRXRL-USMPFQSLSA-N	0	0	441.625	5.874	50	30		IKEARN
O=C1c2c(ccc(Br)c2Cl)NC1=CNCCc1ccc(Cl)cc1Cl	ZINC000100393917	527120827	/nfs/dbraw/zinc/12/08/27/527120827.db2.gz	TZNHOYJXOBGSOX-ZSOIEALJSA-N	0	0	446.559	5.691	50	30		IKEARN
O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cccc(Br)c1	ZINC000002405871	527123004	/nfs/dbraw/zinc/12/30/04/527123004.db2.gz	NSIHDZCGMYLYDX-NHDPSOOVSA-N	0	0	425.253	5.783	50	30		IKEARN
O=C1c2sccc2N(Cc2ccccc2)S(=O)(=O)C1=CNc1ccc(F)c(Cl)c1	ZINC000020575609	527139142	/nfs/dbraw/zinc/13/91/42/527139142.db2.gz	WCESJOOQGMNZBA-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1cccc(Cl)c1	ZINC000020575848	527139369	/nfs/dbraw/zinc/13/93/69/527139369.db2.gz	KZJXBGNMLSBOMB-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccnc2ccccc12	ZINC000222312704	527157047	/nfs/dbraw/zinc/15/70/47/527157047.db2.gz	XQGSNEWPIIXTKA-QINSGFPZSA-N	0	0	434.926	7.308	50	30		IKEARN
O=C(Nc1ccc(Br)cc1F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002648586	527159818	/nfs/dbraw/zinc/15/98/18/527159818.db2.gz	TXRGKDUTMXFZPJ-UHFFFAOYSA-N	0	0	430.117	5.878	50	30		IKEARN
O=S(=O)(N=C1CCCN1)c1cccc(Nc2cc(-c3ccccc3)c3ccccc3n2)c1	ZINC000034889489	527161233	/nfs/dbraw/zinc/16/12/33/527161233.db2.gz	QBROUCKHPWGOOK-UHFFFAOYSA-N	0	0	442.544	5.116	50	30		IKEARN
O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(C=Nc2cccc3ccccc32)cc1	ZINC000002141294	527175142	/nfs/dbraw/zinc/17/51/42/527175142.db2.gz	ZEMMODOPIHWTTQ-JFLMPSFJSA-N	0	0	435.310	7.508	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2[N+](=O)[O-])sc2c1CCCC2	ZINC000004510721	527180962	/nfs/dbraw/zinc/18/09/62/527180962.db2.gz	KJDBKCWLYUQUQK-ZMOGYAJESA-N	0	0	439.924	6.191	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1	ZINC000002209706	527181056	/nfs/dbraw/zinc/18/10/56/527181056.db2.gz	FOPDCUVSFHWKBE-UOODYVSWSA-N	0	0	435.936	5.505	50	30		IKEARN
Cc1nc2sc(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)c(N)c2c(C)c1C	ZINC000013574628	527205461	/nfs/dbraw/zinc/20/54/61/527205461.db2.gz	JDWVWYDZXQOQTJ-ZHACJKMWSA-N	0	0	447.585	6.014	50	30		IKEARN
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F	ZINC000013004344	527245935	/nfs/dbraw/zinc/24/59/35/527245935.db2.gz	OTROLKXJQPCZTE-UHFFFAOYSA-N	0	0	447.310	5.224	50	30		IKEARN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652129	527302082	/nfs/dbraw/zinc/30/20/82/527302082.db2.gz	WRUZWXKDTPBPFF-VWLOTQADSA-N	0	0	448.975	6.151	50	30		IKEARN
O=[N+]([O-])C(C=Nc1ccc(C2CCCCC2)cc1)=CNc1ccc(C2CCCCC2)cc1	ZINC000100700156	527319425	/nfs/dbraw/zinc/31/94/25/527319425.db2.gz	LEOQHCSULHBRTG-MMNQROFBSA-N	0	0	431.580	7.715	50	30		IKEARN
O=[N+]([O-])c1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)ccc1Cl	ZINC000012360585	527324517	/nfs/dbraw/zinc/32/45/17/527324517.db2.gz	MPIDSJVLDHWOOR-ZMOGYAJESA-N	0	0	432.823	6.167	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1SCc1ccccc1	ZINC000012960115	527326249	/nfs/dbraw/zinc/32/62/49/527326249.db2.gz	UEUIRMCVLYHOOZ-WYMPLXKRSA-N	0	0	447.343	6.745	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Cl)cn32)c(Cl)cc1Cl	ZINC000103756939	527326379	/nfs/dbraw/zinc/32/63/79/527326379.db2.gz	GNMIPJKISWRCRN-GZIVZEMBSA-N	0	0	435.654	6.213	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1Sc1ccccc1	ZINC000003028608	527326763	/nfs/dbraw/zinc/32/67/63/527326763.db2.gz	RPYSKTGEIVKIPN-FSJBWODESA-N	0	0	433.316	6.604	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2c[nH]c3ccc(OCc4ccccc4)cc23)c([N+](=O)[O-])c1	ZINC000012344389	527358165	/nfs/dbraw/zinc/35/81/65/527358165.db2.gz	KZGNBXVUOMMFGE-ZMOGYAJESA-N	0	0	431.408	5.009	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NC(c2ccccc2)c2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1	ZINC000022015545	527358394	/nfs/dbraw/zinc/35/83/94/527358394.db2.gz	LQGJJVDKSAGEQV-PLRJNAJWSA-N	0	0	430.342	5.386	50	30		IKEARN
O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	ZINC000021722342	527415951	/nfs/dbraw/zinc/41/59/51/527415951.db2.gz	WUOQABCHMVFLCT-QHCPKHFHSA-N	0	0	449.963	6.614	50	30		IKEARN
Nc1c(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F	ZINC000059530776	527429142	/nfs/dbraw/zinc/42/91/42/527429142.db2.gz	MMXWIZPWTDDFOU-UHFFFAOYSA-N	0	0	441.215	7.011	50	30		IKEARN
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1Cl	ZINC000043058489	527458013	/nfs/dbraw/zinc/45/80/13/527458013.db2.gz	YNKFZRGTXAPYFD-UHFFFAOYSA-N	0	0	446.681	5.618	50	30		IKEARN
O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1)CCCC3	ZINC000009234237	527459856	/nfs/dbraw/zinc/45/98/56/527459856.db2.gz	RUDFLUDTVWCYGM-LUOAPIJWSA-N	0	0	443.450	5.498	50	30		IKEARN
O=C(Nc1nc(-c2c(Cl)cccc2Cl)no1)O/N=C/c1c(Cl)cccc1Cl	ZINC000012369570	527496879	/nfs/dbraw/zinc/49/68/79/527496879.db2.gz	DDZCFUDUKLDALZ-QPSGOUHRSA-N	0	0	446.077	5.933	50	30		IKEARN
O=c1oc2ccc3ccccc3c2cc1-c1csc(N=NCc2ccc(Cl)cc2)n1	ZINC000013739357	527498913	/nfs/dbraw/zinc/49/89/13/527498913.db2.gz	UIMNMRVKUSHGHN-BRJLIKDPSA-N	0	0	431.904	6.169	50	30		IKEARN
O=C(NC1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000012652153	527514056	/nfs/dbraw/zinc/51/40/56/527514056.db2.gz	SQDBBVURPPOYFW-RUZDIDTESA-N	0	0	449.982	6.363	50	30		IKEARN
Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000018196673	527522733	/nfs/dbraw/zinc/52/27/33/527522733.db2.gz	MYOJHVPITZDGNY-XMMPIXPASA-N	0	0	441.531	5.418	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccc(F)cc1)c1ccccc1	ZINC000016752060	527540344	/nfs/dbraw/zinc/54/03/44/527540344.db2.gz	ZBCWDCGLGKVERF-AFUMVMLFSA-N	0	0	432.480	5.353	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000013569348	527553961	/nfs/dbraw/zinc/55/39/61/527553961.db2.gz	NJBKABMZUCSEPZ-FQRUVTKNSA-N	0	0	448.526	5.240	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2	ZINC000003257389	527554203	/nfs/dbraw/zinc/55/42/03/527554203.db2.gz	LIJJATIVOPBHET-HSZRJFAPSA-N	0	0	433.467	5.074	50	30		IKEARN
Cc1nn(-c2ccccc2C)c2c1[C@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2	ZINC000003257804	527564496	/nfs/dbraw/zinc/56/44/96/527564496.db2.gz	ISIRFAZESBKVDP-DEOSSOPVSA-N	0	0	447.494	5.383	50	30		IKEARN
O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl	ZINC000002177686	527596873	/nfs/dbraw/zinc/59/68/73/527596873.db2.gz	CHZLDNRUXDPLCO-ONEGZZNKSA-N	0	0	428.159	6.840	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Br)cc1	ZINC000009445160	527603086	/nfs/dbraw/zinc/60/30/86/527603086.db2.gz	PJKJCKCWVXOKPG-RMKNXTFCSA-N	0	0	432.657	6.167	50	30		IKEARN
O=C(/C=C/c1ccc(/C=C\C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21	ZINC000090624121	527604884	/nfs/dbraw/zinc/60/48/84/527604884.db2.gz	FRJUSNJBEHTICZ-OLAQIDGISA-N	0	0	438.526	7.785	50	30		IKEARN
O=C(/C=C/c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1	ZINC000012546895	527606593	/nfs/dbraw/zinc/60/65/93/527606593.db2.gz	SQQTYZPTOSEOCV-WYMLVPIESA-N	0	0	425.315	6.392	50	30		IKEARN
O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1cccc(OC(F)F)c1	ZINC000036611170	527606823	/nfs/dbraw/zinc/60/68/23/527606823.db2.gz	ZPQAZEVZUSWPEK-VOTSOKGWSA-N	0	0	442.311	5.913	50	30		IKEARN
O=C(/C=C/c1ccc(F)cc1)c1cc(F)ccc1OC(=O)c1ccccc1Br	ZINC000009019303	527610170	/nfs/dbraw/zinc/61/01/70/527610170.db2.gz	UJZDDPQELGNSHH-YRNVUSSQSA-N	0	0	443.243	5.843	50	30		IKEARN
O=C(/C=C/c1ccc(F)cc1)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1	ZINC000012311324	527610252	/nfs/dbraw/zinc/61/02/52/527610252.db2.gz	PZJIBQIIMGYKNA-MDWZMJQESA-N	0	0	448.291	5.993	50	30		IKEARN
O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1)c1ccccc1	ZINC000020509959	527612502	/nfs/dbraw/zinc/61/25/02/527612502.db2.gz	YGDXBCKMROYHHD-WVEOUUQPSA-N	0	0	428.535	6.938	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cc(C)ccc1C	ZINC000032972318	527627496	/nfs/dbraw/zinc/62/74/96/527627496.db2.gz	PITBOYUQAJHIRV-UHFFFAOYSA-N	0	0	445.611	5.349	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O	ZINC000013653621	527633711	/nfs/dbraw/zinc/63/37/11/527633711.db2.gz	UZGXCFBVMMFFJD-HHLUSPNUSA-N	0	0	447.284	5.684	50	30		IKEARN
O=C(/C=C/c1ccccc1OC(=O)c1cccnc1N1CCCC1)c1cc2ccccc2o1	ZINC000013097821	527634904	/nfs/dbraw/zinc/63/49/04/527634904.db2.gz	IMJOPYVSPNSOKG-BUHFOSPRSA-N	0	0	438.483	5.543	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1	ZINC000012564696	527646758	/nfs/dbraw/zinc/64/67/58/527646758.db2.gz	OTBCYVXLJLACDT-DTQAZKPQSA-N	0	0	429.317	6.198	50	30		IKEARN
O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1	ZINC000096765575	527653968	/nfs/dbraw/zinc/65/39/68/527653968.db2.gz	FXBUEFUQARJESE-YVMONPNESA-N	0	0	446.305	6.125	50	30		IKEARN
O=C(/C=C\c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000033580919	527656802	/nfs/dbraw/zinc/65/68/02/527656802.db2.gz	ATUJQIZTTRXGNN-RAXLEYEMSA-N	0	0	438.376	5.454	50	30		IKEARN
FC(F)(F)C1CCN(c2ncc(/C=N/OCc3ccc(Cl)cc3Cl)s2)CC1	ZINC000263640100	527664230	/nfs/dbraw/zinc/66/42/30/527664230.db2.gz	XQUARUKPTMGUGM-PGGKNCGUSA-N	0	0	438.302	5.779	50	30		IKEARN
FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCCCCCCC2)c1	ZINC000012659536	527682756	/nfs/dbraw/zinc/68/27/56/527682756.db2.gz	GWZGXPKXKQYIFQ-UHFFFAOYSA-N	0	0	433.971	7.306	50	30		IKEARN
FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3)cc2)c(Cl)c1	ZINC000022996428	527689783	/nfs/dbraw/zinc/68/97/83/527689783.db2.gz	VPGFVFWLYFQUCD-YPXUMCKCSA-N	0	0	441.236	6.750	50	30		IKEARN
FC(F)=C(F)OC(F)(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000095676686	527691507	/nfs/dbraw/zinc/69/15/07/527691507.db2.gz	RJBJXVAPYONTFE-BYPYZUCNSA-N	0	0	432.054	5.666	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1	ZINC000000630729	555514602	/nfs/dbraw/zinc/51/46/02/555514602.db2.gz	HEGVWABNIAPBMT-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccccc1F	ZINC000000649724	555522438	/nfs/dbraw/zinc/52/24/38/555522438.db2.gz	KGDSYAUFSTYSMI-SANMLTNESA-N	0	0	440.518	6.283	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000654754	555524490	/nfs/dbraw/zinc/52/44/90/555524490.db2.gz	ZFLJUPDRWUJWEP-XMMPIXPASA-N	0	0	437.495	5.007	50	30		IKEARN
CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000000665912	555528316	/nfs/dbraw/zinc/52/83/16/555528316.db2.gz	UQZMUUKUXWTSFO-UHFFFAOYSA-N	0	0	443.886	5.652	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000667217	555529211	/nfs/dbraw/zinc/52/92/11/555529211.db2.gz	UGKPFACXVQUBKU-UHFFFAOYSA-N	0	0	429.944	5.027	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@H](C)CC	ZINC000000671957	555531553	/nfs/dbraw/zinc/53/15/53/555531553.db2.gz	BELHMXOTTYPSEN-CLYVBNDRSA-N	0	0	446.591	6.417	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@@H](C)CC	ZINC000000671965	555531575	/nfs/dbraw/zinc/53/15/75/555531575.db2.gz	BELHMXOTTYPSEN-XRHLQHRESA-N	0	0	446.591	6.417	50	30		IKEARN
COc1cc(/C=N/c2cccc3c(/N=C/c4ccc(O)c(OC)c4)cccc23)ccc1O	ZINC000000671644	555531650	/nfs/dbraw/zinc/53/16/50/555531650.db2.gz	LVVWFLKLTXIKCR-DPCVLPDWSA-N	0	0	426.472	5.769	50	30		IKEARN
O=S(=O)(c1ccc(/N=C/c2ccccc2OCc2ccccc2)cc1)N1CCCCC1	ZINC000000672172	555531946	/nfs/dbraw/zinc/53/19/46/555531946.db2.gz	UVGNBCNZANJVBV-LGUFXXKBSA-N	0	0	434.561	5.191	50	30		IKEARN
Cc1c(/N=C/c2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000000675873	555534667	/nfs/dbraw/zinc/53/46/67/555534667.db2.gz	CGVSUPFFPUQZOJ-MTDXEUNCSA-N	0	0	433.515	5.088	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc32)cc1	ZINC000000681729	555537410	/nfs/dbraw/zinc/53/74/10/555537410.db2.gz	SGENHWCBNUIGCF-XDBZFTIUSA-N	0	0	435.527	6.156	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1	ZINC000000681734	555537454	/nfs/dbraw/zinc/53/74/54/555537454.db2.gz	MNMDEHXZKFJNTK-GKVSMKOHSA-N	0	0	443.459	5.108	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1	ZINC000000681882	555537762	/nfs/dbraw/zinc/53/77/62/555537762.db2.gz	FZOQITOWFUELIN-MNNSJKJDSA-N	0	0	438.571	6.798	50	30		IKEARN
CC(C)Oc1ccccc1[C@@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1	ZINC000000684836	555539498	/nfs/dbraw/zinc/53/94/98/555539498.db2.gz	NIKVNJYTYCJLII-DEOSSOPVSA-N	0	0	428.557	5.287	50	30		IKEARN
CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1	ZINC000000688885	555541312	/nfs/dbraw/zinc/54/13/12/555541312.db2.gz	LKOYHHDDYIPSGE-RUZDIDTESA-N	0	0	432.564	5.884	50	30		IKEARN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000000702367	555542817	/nfs/dbraw/zinc/54/28/17/555542817.db2.gz	SFXMYOXEFIRAGI-RUZDIDTESA-N	0	0	441.527	5.215	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000000708838	555545835	/nfs/dbraw/zinc/54/58/35/555545835.db2.gz	LBSCKXDYZKHMGB-MRDQGFSESA-N	0	0	444.918	6.048	50	30		IKEARN
COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000000709525	555546488	/nfs/dbraw/zinc/54/64/88/555546488.db2.gz	GCVGKBWXCHEOJV-DNOBIOAJSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000000709526	555546506	/nfs/dbraw/zinc/54/65/06/555546506.db2.gz	GCVGKBWXCHEOJV-MYUZEXMDSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000000709479	555546553	/nfs/dbraw/zinc/54/65/53/555546553.db2.gz	RATACYVCUKXARC-RUZDIDTESA-N	0	0	444.531	5.570	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000709965	555546815	/nfs/dbraw/zinc/54/68/15/555546815.db2.gz	HJCKFKPMUDVFJX-CJAUYULYSA-N	0	0	434.461	6.685	50	30		IKEARN
CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br	ZINC000000710622	555547148	/nfs/dbraw/zinc/54/71/48/555547148.db2.gz	DREGCMXRRNUOIK-ZUOKHONESA-N	0	0	446.385	5.395	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br	ZINC000000710623	555547164	/nfs/dbraw/zinc/54/71/64/555547164.db2.gz	DREGCMXRRNUOIK-RNODOKPDSA-N	0	0	446.385	5.395	50	30		IKEARN
O=c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)oc2ccccc12	ZINC000000711581	555547513	/nfs/dbraw/zinc/54/75/13/555547513.db2.gz	KBXAJVANAVAWLX-WZQKQDCOSA-N	0	0	440.524	5.834	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000000714063	555547981	/nfs/dbraw/zinc/54/79/81/555547981.db2.gz	PRXHHVROIKDXSY-HHHXNRCGSA-N	0	0	427.544	6.557	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000000714603	555548195	/nfs/dbraw/zinc/54/81/95/555548195.db2.gz	SKKUHPMYBVGVIM-AREMUKBSSA-N	0	0	444.575	5.244	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000716972	555548865	/nfs/dbraw/zinc/54/88/65/555548865.db2.gz	HVUWVUHNSBZCNF-QHCPKHFHSA-N	0	0	437.486	5.312	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000000717192	555548877	/nfs/dbraw/zinc/54/88/77/555548877.db2.gz	FOXLSVCGCITMAQ-JLTOFOAXSA-N	0	0	447.478	5.302	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000717022	555548891	/nfs/dbraw/zinc/54/88/91/555548891.db2.gz	WQWIPDQACZGAQA-XMMPIXPASA-N	0	0	433.523	5.216	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000717672	555549171	/nfs/dbraw/zinc/54/91/71/555549171.db2.gz	NVSMXBWCDAZHLR-HJPURHCSSA-N	0	0	439.552	5.448	50	30		IKEARN
COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC	ZINC000000717710	555549191	/nfs/dbraw/zinc/54/91/91/555549191.db2.gz	DQROHLGPGSBAHS-QHCPKHFHSA-N	0	0	447.962	6.711	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O	ZINC000000718069	555549454	/nfs/dbraw/zinc/54/94/54/555549454.db2.gz	LEWZYXRJQLNBGU-QMTYFTJSSA-N	0	0	446.934	6.034	50	30	biogenic,in-vitro	IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc1O	ZINC000000718070	555549473	/nfs/dbraw/zinc/54/94/73/555549473.db2.gz	LEWZYXRJQLNBGU-YHAMSUFESA-N	0	0	446.934	6.034	50	30	biogenic,in-vitro	IKEARN
COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000720199	555549750	/nfs/dbraw/zinc/54/97/50/555549750.db2.gz	WVEJDHWOZRMKDJ-JOCHJYFZSA-N	0	0	426.944	5.893	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000000721888	555550480	/nfs/dbraw/zinc/55/04/80/555550480.db2.gz	JHZIQNXEODGTCH-JRPXNJEYSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000000721887	555550525	/nfs/dbraw/zinc/55/05/25/555550525.db2.gz	JHZIQNXEODGTCH-IIMAJNMQSA-N	0	0	447.534	6.621	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781300	555555165	/nfs/dbraw/zinc/55/51/65/555555165.db2.gz	CYRJXPPPAOQGQD-GAJHUEQPSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781284	555555180	/nfs/dbraw/zinc/55/51/80/555555180.db2.gz	VNTBBYYGWZQXCW-GAJHUEQPSA-N	0	0	437.561	5.015	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(N2CCOCC2)cc1	ZINC000000809297	555560254	/nfs/dbraw/zinc/56/02/54/555560254.db2.gz	QZRZMKCAVUGUHH-NDEPHWFRSA-N	0	0	438.571	5.986	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000811223	555560528	/nfs/dbraw/zinc/56/05/28/555560528.db2.gz	ZYVPCBFLZWXWBQ-QFQXNSOFSA-N	0	0	444.575	5.066	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC	ZINC000000812849	555560888	/nfs/dbraw/zinc/56/08/88/555560888.db2.gz	KEJCZAYCFMYQRW-CBZJRKILSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O	ZINC000000812933	555561199	/nfs/dbraw/zinc/56/11/99/555561199.db2.gz	OSQNVTKXOKFBHH-IVCQMTBJSA-N	0	0	446.934	6.034	50	30	in-vitro	IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O	ZINC000000815827	555562139	/nfs/dbraw/zinc/56/21/39/555562139.db2.gz	MMOUQZPPZBBYDD-XHCCPWGMSA-N	0	0	426.516	5.689	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC	ZINC000000815913	555562465	/nfs/dbraw/zinc/56/24/65/555562465.db2.gz	AVDNCSPUPQTZCG-MMTVBGGISA-N	0	0	440.543	5.992	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000000815916	555562504	/nfs/dbraw/zinc/56/25/04/555562504.db2.gz	JNAAZPVXVYVNER-SLIIYKDFSA-N	0	0	431.319	5.224	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1	ZINC000000821075	555563875	/nfs/dbraw/zinc/56/38/75/555563875.db2.gz	BMNWLYWOLFZPFA-HRFSGMKKSA-N	0	0	445.559	5.826	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1	ZINC000000823441	555564545	/nfs/dbraw/zinc/56/45/45/555564545.db2.gz	KJYBMQWDXCWJHZ-IBGZPJMESA-N	0	0	432.358	5.005	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000000856620	555571346	/nfs/dbraw/zinc/57/13/46/555571346.db2.gz	GXIDLLVAGNKJCN-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000000861011	555571951	/nfs/dbraw/zinc/57/19/51/555571951.db2.gz	CCILKLKMVFVRRU-JOCHJYFZSA-N	0	0	425.916	6.087	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-]	ZINC000000861113	555572353	/nfs/dbraw/zinc/57/23/53/555572353.db2.gz	MBGAFOVYUZEWKC-BCHFMIIMSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000000861348	555572754	/nfs/dbraw/zinc/57/27/54/555572754.db2.gz	IXPGNTPEPUTNDM-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1	ZINC000000864951	555573426	/nfs/dbraw/zinc/57/34/26/555573426.db2.gz	DRRRJIXDFCOCNZ-VWLOTQADSA-N	0	0	426.516	6.041	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccccc1Cl)N2	ZINC000000864943	555573575	/nfs/dbraw/zinc/57/35/75/555573575.db2.gz	AHGQKEJUFHKILQ-RUZDIDTESA-N	0	0	428.919	6.157	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1	ZINC000000872434	555575687	/nfs/dbraw/zinc/57/56/87/555575687.db2.gz	IGNKQYZXOGECOQ-UZTOHYMASA-N	0	0	426.516	5.899	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1	ZINC000000883118	555578142	/nfs/dbraw/zinc/57/81/42/555578142.db2.gz	DVDPCBUPISECOT-YHAMSUFESA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC	ZINC000000883393	555578304	/nfs/dbraw/zinc/57/83/04/555578304.db2.gz	BXJTUGWLCUHXTK-HMILPKGGSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC	ZINC000000883398	555578388	/nfs/dbraw/zinc/57/83/88/555578388.db2.gz	RVKAPMSAJHNMDA-PUAOIOHZSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)ON=C3CCCCC3)n2)cc1	ZINC000000890749	555579799	/nfs/dbraw/zinc/57/97/99/555579799.db2.gz	JURRNFANNQOYKO-UHFFFAOYSA-N	0	0	439.459	5.126	50	30		IKEARN
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccncc4)nc3c2)c1O	ZINC000000973838	555592054	/nfs/dbraw/zinc/59/20/54/555592054.db2.gz	HJPORBLNAOFOCU-WYMPLXKRSA-N	0	0	438.281	5.507	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)s1	ZINC000000994456	555598105	/nfs/dbraw/zinc/59/81/05/555598105.db2.gz	MEOAIUDWLHOVHU-FQEVSTJZSA-N	0	0	445.382	5.674	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1	ZINC000001001567	555600188	/nfs/dbraw/zinc/60/01/88/555600188.db2.gz	NIHKSWNBESYGTQ-PQHDRGKASA-N	0	0	449.620	6.080	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1	ZINC000001011974	555601996	/nfs/dbraw/zinc/60/19/96/555601996.db2.gz	CILVFJKZIRTHOJ-CFDZAGTRSA-N	0	0	447.354	5.177	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccccc2)sc1C	ZINC000001052635	555613537	/nfs/dbraw/zinc/61/35/37/555613537.db2.gz	WJIPRCZVZIFPFJ-FQEVSTJZSA-N	0	0	430.485	5.289	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1	ZINC000001066836	555618708	/nfs/dbraw/zinc/61/87/08/555618708.db2.gz	SEFUVLYZRQMWHS-QRQCRPRQSA-N	0	0	427.953	5.326	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F	ZINC000001074528	555623119	/nfs/dbraw/zinc/62/31/19/555623119.db2.gz	XDKMKSMRMGPQFU-SSOJOUAXSA-N	0	0	449.522	5.148	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001077205	555624588	/nfs/dbraw/zinc/62/45/88/555624588.db2.gz	RBQJCXIQDJZMJG-CCLHPLFOSA-N	0	0	426.585	6.696	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000001077009	555624625	/nfs/dbraw/zinc/62/46/25/555624625.db2.gz	QEBMURGLDOWRRC-LFVRLGFBSA-N	0	0	441.383	7.034	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2	ZINC000001082744	555626249	/nfs/dbraw/zinc/62/62/49/555626249.db2.gz	UXDRVWWJZZMUSG-CJAUYULYSA-N	0	0	445.360	6.429	50	30		IKEARN
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000001097402	555628170	/nfs/dbraw/zinc/62/81/70/555628170.db2.gz	GVTDKINTTGOSHT-AJBULDERSA-N	0	0	447.538	5.878	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC	ZINC000001097759	555628181	/nfs/dbraw/zinc/62/81/81/555628181.db2.gz	ONWRRUVUXMKAKW-SSOJOUAXSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107177	555629686	/nfs/dbraw/zinc/62/96/86/555629686.db2.gz	KVBFJHWUHYHGJR-GKVSMKOHSA-N	0	0	445.906	6.228	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001123522	555639039	/nfs/dbraw/zinc/63/90/39/555639039.db2.gz	BHOVGMRNGZGRNQ-SIBVEZHUSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000001123571	555639148	/nfs/dbraw/zinc/63/91/48/555639148.db2.gz	CJXMQLAXIVLDAD-DWXRJYCRSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@H](c3cccnc3)C3=C2CCCC3=O)c1	ZINC000001124482	555640019	/nfs/dbraw/zinc/64/00/19/555640019.db2.gz	FSEAJXXMNHSWOK-XMMPIXPASA-N	0	0	435.527	5.054	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F	ZINC000001127612	555641994	/nfs/dbraw/zinc/64/19/94/555641994.db2.gz	ALEVSAGTMVIFJA-RBZFPXEDSA-N	0	0	447.478	5.302	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1	ZINC000001129667	555643652	/nfs/dbraw/zinc/64/36/52/555643652.db2.gz	QMXFSNDVGFEAOF-IQGLISFBSA-N	0	0	449.522	5.656	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1	ZINC000001158179	555660157	/nfs/dbraw/zinc/66/01/57/555660157.db2.gz	PGTIBMBTHRDQCM-UHFFFAOYSA-N	0	0	445.353	5.555	50	30		IKEARN
O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000001170840	555666435	/nfs/dbraw/zinc/66/64/35/555666435.db2.gz	BVOIPXPHYXLSCY-QMTYFTJSSA-N	0	0	444.918	6.048	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(Br)cc1	ZINC000001173373	555668151	/nfs/dbraw/zinc/66/81/51/555668151.db2.gz	BICWBKMWXBHNKD-HSZRJFAPSA-N	0	0	433.349	6.307	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000001177711	555670240	/nfs/dbraw/zinc/67/02/40/555670240.db2.gz	QSNGWVCACHVZBJ-NRFANRHFSA-N	0	0	445.321	5.739	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001183785	555673086	/nfs/dbraw/zinc/67/30/86/555673086.db2.gz	ZTEHWVZATXHWEJ-QRQCRPRQSA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001184509	555673407	/nfs/dbraw/zinc/67/34/07/555673407.db2.gz	XWIKZAASTVWJOU-HRAATJIYSA-N	0	0	427.591	5.370	50	30		IKEARN
O=S(=O)(/N=C(/SC(=S)c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000001184433	555673412	/nfs/dbraw/zinc/67/34/12/555673412.db2.gz	FGCAWINSZOLPHC-ZBJSNUHESA-N	0	0	431.991	5.584	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000001185598	555673971	/nfs/dbraw/zinc/67/39/71/555673971.db2.gz	FXWKVXXIUHSQOH-MHZLTWQESA-N	0	0	438.527	5.902	50	30		IKEARN
COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000001188162	555674983	/nfs/dbraw/zinc/67/49/83/555674983.db2.gz	UVUVLJWDSBSJMD-UHFFFAOYSA-N	0	0	425.481	5.004	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000001201657	555678739	/nfs/dbraw/zinc/67/87/39/555678739.db2.gz	PWYJPRWOFILLSA-HSZRJFAPSA-N	0	0	437.923	5.060	50	30		IKEARN
Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1	ZINC000001201649	555678780	/nfs/dbraw/zinc/67/87/80/555678780.db2.gz	LSQGSDDXGORWJA-HHHXNRCGSA-N	0	0	439.559	5.411	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000001201661	555678808	/nfs/dbraw/zinc/67/88/08/555678808.db2.gz	PWYJPRWOFILLSA-QHCPKHFHSA-N	0	0	437.923	5.060	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202578	555679036	/nfs/dbraw/zinc/67/90/36/555679036.db2.gz	VAHSKKMELNMDEV-CLOONOSVSA-N	0	0	433.523	5.387	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000001204581	555679933	/nfs/dbraw/zinc/67/99/33/555679933.db2.gz	OFFYFBDLLLMXKK-OPAMFIHVSA-N	0	0	425.887	5.014	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1	ZINC000001213061	555682765	/nfs/dbraw/zinc/68/27/65/555682765.db2.gz	WHXBHKJHHJDCRF-SANMLTNESA-N	0	0	445.559	5.433	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000001213746	555683056	/nfs/dbraw/zinc/68/30/56/555683056.db2.gz	LIPNXQLBCIZNOH-VQAHOFKPSA-N	0	0	445.544	5.250	50	30		IKEARN
CCOc1ccc(/N=C/c2c(=O)n3cccc(C)c3nc2Nc2ccc(OCC)cc2)cc1	ZINC000001214481	555683374	/nfs/dbraw/zinc/68/33/74/555683374.db2.gz	KJDVQKRWGAXFOM-WPWMEQJKSA-N	0	0	442.519	5.295	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1	ZINC000001220245	555685745	/nfs/dbraw/zinc/68/57/45/555685745.db2.gz	YLQHGMDPTJHSMS-HHHXNRCGSA-N	0	0	437.539	5.594	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccs3)C12	ZINC000001283605	555689079	/nfs/dbraw/zinc/68/90/79/555689079.db2.gz	LYLKXALWDMFGQR-GOSISDBHSA-N	0	0	428.970	5.307	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001302901	555689337	/nfs/dbraw/zinc/68/93/37/555689337.db2.gz	UXKCHHHHPPYGOV-HSZRJFAPSA-N	0	0	433.508	5.394	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccccc1)c1ccc(F)cc1	ZINC000001414731	555694884	/nfs/dbraw/zinc/69/48/84/555694884.db2.gz	MVMVOLLSAFLFRI-DEOSSOPVSA-N	0	0	440.474	5.128	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000001434745	555696783	/nfs/dbraw/zinc/69/67/83/555696783.db2.gz	CAMUSSBJXLSYGW-DWXRJYCRSA-N	0	0	441.487	5.583	50	30		IKEARN
CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001434759	555696829	/nfs/dbraw/zinc/69/68/29/555696829.db2.gz	XTQWHRDCJCPYIW-LYZGTLIUSA-N	0	0	438.527	5.900	50	30		IKEARN
CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001434758	555696854	/nfs/dbraw/zinc/69/68/54/555696854.db2.gz	XTQWHRDCJCPYIW-RBTNQOKQSA-N	0	0	438.527	5.900	50	30		IKEARN
CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001434761	555696873	/nfs/dbraw/zinc/69/68/73/555696873.db2.gz	XTQWHRDCJCPYIW-PIKZIKFNSA-N	0	0	438.527	5.900	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1	ZINC000001434808	555696877	/nfs/dbraw/zinc/69/68/77/555696877.db2.gz	UEJVMKHATLIVQX-NGOKVRLYSA-N	0	0	440.543	6.073	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000001437505	555697172	/nfs/dbraw/zinc/69/71/72/555697172.db2.gz	FZWFXQJDLNGVJB-HRFSGMKKSA-N	0	0	439.515	6.191	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000001437502	555697197	/nfs/dbraw/zinc/69/71/97/555697197.db2.gz	FZWFXQJDLNGVJB-CCLHPLFOSA-N	0	0	439.515	6.191	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2	ZINC000001445918	555699105	/nfs/dbraw/zinc/69/91/05/555699105.db2.gz	ZFRJQLJGTOIGFV-DWXRJYCRSA-N	0	0	435.479	6.120	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001456568	555699994	/nfs/dbraw/zinc/69/99/94/555699994.db2.gz	NFVGQWMKSVJSOC-SBUREZEXSA-N	0	0	437.561	5.015	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000001457560	555700312	/nfs/dbraw/zinc/70/03/12/555700312.db2.gz	SZKORZTXWSYTIG-XHCCPWGMSA-N	0	0	428.507	6.122	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000001457559	555700329	/nfs/dbraw/zinc/70/03/29/555700329.db2.gz	SZKORZTXWSYTIG-WINIVTDRSA-N	0	0	428.507	6.122	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001467861	555701105	/nfs/dbraw/zinc/70/11/05/555701105.db2.gz	KGWJKHNQEUXZHS-QYBDOPJKSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001467862	555701148	/nfs/dbraw/zinc/70/11/48/555701148.db2.gz	KGWJKHNQEUXZHS-DWXRJYCRSA-N	0	0	441.487	5.583	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000001881429	555722233	/nfs/dbraw/zinc/72/22/33/555722233.db2.gz	QYLNPPAWMSGDOW-VULFUBBASA-N	0	0	443.300	6.867	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC	ZINC000002030973	555728010	/nfs/dbraw/zinc/72/80/10/555728010.db2.gz	QXWKCICSFIXFJP-QHCPKHFHSA-N	0	0	441.568	5.041	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000002055226	555730350	/nfs/dbraw/zinc/73/03/50/555730350.db2.gz	LXLRCOUHSWCKQG-QFIPXVFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(O)c(OCC)c1	ZINC000002055330	555730585	/nfs/dbraw/zinc/73/05/85/555730585.db2.gz	DJCKEZFRDIUEGL-HSZRJFAPSA-N	0	0	441.568	5.128	50	30		IKEARN
O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cccc(Br)c1	ZINC000002060049	555731493	/nfs/dbraw/zinc/73/14/93/555731493.db2.gz	DREXLKILYVSAOE-MOSHPQCFSA-N	0	0	437.314	5.998	50	30		IKEARN
CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1	ZINC000002061962	555732169	/nfs/dbraw/zinc/73/21/69/555732169.db2.gz	ZZOJAPRQVPDRJP-UHFFFAOYSA-N	0	0	428.532	7.096	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000002062827	555732493	/nfs/dbraw/zinc/73/24/93/555732493.db2.gz	JVJGWWMUPHFAJO-UHFFFAOYSA-N	0	0	448.346	6.311	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000002063670	555732783	/nfs/dbraw/zinc/73/27/83/555732783.db2.gz	YSOPWYFBRTXKDH-IBGZPJMESA-N	0	0	432.358	5.006	50	30		IKEARN
Cc1ccc2nc(-c3ccc(/N=C/c4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1	ZINC000002067482	555733688	/nfs/dbraw/zinc/73/36/88/555733688.db2.gz	BWVWUVLRNZZABV-JFLMPSFJSA-N	0	0	428.944	7.936	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC	ZINC000002081729	555738361	/nfs/dbraw/zinc/73/83/61/555738361.db2.gz	FSAUDCMJXZUFGS-NMRWETQTSA-N	0	0	430.548	6.759	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002081806	555738414	/nfs/dbraw/zinc/73/84/14/555738414.db2.gz	SRZZRVYDVLHOKV-BGTPXQLESA-N	0	0	440.612	7.237	50	30		IKEARN
COc1ccccc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000002083875	555739174	/nfs/dbraw/zinc/73/91/74/555739174.db2.gz	BHJMIYJHPKGHJO-SIFZUIMESA-N	0	0	442.584	6.737	50	30		IKEARN
CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000002092100	555741160	/nfs/dbraw/zinc/74/11/60/555741160.db2.gz	QTYNXWDCVBVOKC-ZXVVBBHZSA-N	0	0	446.620	6.612	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000002092573	555741426	/nfs/dbraw/zinc/74/14/26/555741426.db2.gz	LRUUZPFPIVDIFJ-LMTJQJACSA-N	0	0	444.556	6.129	50	30		IKEARN
Cc1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1	ZINC000002113998	555744756	/nfs/dbraw/zinc/74/47/56/555744756.db2.gz	QOFSONJZHICVCA-ARDTVSTASA-N	0	0	432.614	7.099	50	30		IKEARN
COc1ccccc1CC/N=C/c1ccnc(SCc2ccc(Cl)cc2Cl)n1	ZINC000002142846	555748440	/nfs/dbraw/zinc/74/84/40/555748440.db2.gz	LWSQGRXLEFAXET-ZMOGYAJESA-N	0	0	432.376	5.746	50	30		IKEARN
O=C1c2ccccc2C(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)=C1c1ccccc1	ZINC000002157427	555750639	/nfs/dbraw/zinc/75/06/39/555750639.db2.gz	WBVKJESBFUNUAG-UHFFFAOYSA-N	0	0	433.351	6.901	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)cc(C)c3NC(C)(C)C2=S)S1	ZINC000002183596	555754574	/nfs/dbraw/zinc/75/45/74/555754574.db2.gz	KVPVOSZTHPIWLM-PTGBLXJZSA-N	0	0	437.655	6.984	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(OCc4ccccc4)cc3)C12	ZINC000002291770	555765915	/nfs/dbraw/zinc/76/59/15/555765915.db2.gz	WEEQQYKTLFDLGJ-LJAQVGFWSA-N	0	0	447.559	7.132	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@H](C)CCC3	ZINC000002298462	555766642	/nfs/dbraw/zinc/76/66/42/555766642.db2.gz	KRDBRXHSUNQNGH-QGZVFWFLSA-N	0	0	426.651	6.950	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c2ccccc2cc2ccccc21	ZINC000002346002	555770544	/nfs/dbraw/zinc/77/05/44/555770544.db2.gz	NTOXDXURZCUULB-LGJNPRDNSA-N	0	0	449.366	6.729	50	30		IKEARN
S=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)Nc1cccc(Cl)c1	ZINC000002542628	555786756	/nfs/dbraw/zinc/78/67/56/555786756.db2.gz	FKNVATUTZBGTCZ-ZMOGYAJESA-N	0	0	430.360	5.893	50	30		IKEARN
COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1	ZINC000002549047	555786956	/nfs/dbraw/zinc/78/69/56/555786956.db2.gz	BDJDWCPJUGITMR-KAYWLYCHSA-N	0	0	439.942	7.166	50	30		IKEARN
O=C1/C(=C/c2cccc(Br)c2)CCC/C1=C/c1cccc(Br)c1	ZINC000002549087	555787293	/nfs/dbraw/zinc/78/72/93/555787293.db2.gz	AHJCUJSTWXHHHI-VRNBXGKJSA-N	0	0	432.155	6.432	50	30		IKEARN
O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccccc1OC(F)F	ZINC000002679266	555798086	/nfs/dbraw/zinc/79/80/86/555798086.db2.gz	KAVQFCLVDJOZRK-YCPBAFNGSA-N	0	0	431.851	5.262	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F	ZINC000002727243	555803180	/nfs/dbraw/zinc/80/31/80/555803180.db2.gz	MYDTUXQZYKGFBP-GKVSMKOHSA-N	0	0	449.522	5.149	50	30		IKEARN
Cc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C	ZINC000002744932	555808607	/nfs/dbraw/zinc/80/86/07/555808607.db2.gz	FQVLSWDMJUPTCT-QIFMOKMOSA-N	0	0	440.612	7.346	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000002795856	555822128	/nfs/dbraw/zinc/82/21/28/555822128.db2.gz	CGOHDXAYDRPWCW-FQEVSTJZSA-N	0	0	436.379	5.941	50	30		IKEARN
CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002796778	555822436	/nfs/dbraw/zinc/82/24/36/555822436.db2.gz	QELPQVZNPVKPDI-OAQYLSRUSA-N	0	0	446.513	5.322	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc3ccccc32)C2=C(CC(C)(C)CC2=O)N1	ZINC000002801351	555824571	/nfs/dbraw/zinc/82/45/71/555824571.db2.gz	KZZYBQRJDRGBDO-AREMUKBSSA-N	0	0	443.587	6.320	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2F)n1	ZINC000034713171	555826334	/nfs/dbraw/zinc/82/63/34/555826334.db2.gz	CNRQZVIFNVSODR-UHFFFAOYSA-N	0	0	436.430	5.463	50	30		IKEARN
COC(=O)c1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000002807285	555826637	/nfs/dbraw/zinc/82/66/37/555826637.db2.gz	VMWGBDZMGOXHLP-JXKYSLRESA-N	0	0	442.540	5.899	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc(/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl	ZINC000002816358	555828739	/nfs/dbraw/zinc/82/87/39/555828739.db2.gz	HDVSUEUVHKWKQS-ASIDMNOUSA-N	0	0	443.246	6.311	50	30		IKEARN
N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1	ZINC000002835463	555832596	/nfs/dbraw/zinc/83/25/96/555832596.db2.gz	JEFKSJFYIBGQKO-MUUNZHRXSA-N	0	0	432.523	6.173	50	30		IKEARN
COc1ccc2ccccc2c1/C=N/c1ccc(/N=C/c2c(OC)ccc3ccccc32)cc1	ZINC000002842420	555836377	/nfs/dbraw/zinc/83/63/77/555836377.db2.gz	HHYXHLZMJNQUBY-GKTLAHRSSA-N	0	0	444.534	7.511	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002868469	555848444	/nfs/dbraw/zinc/84/84/44/555848444.db2.gz	KZRBESXBLONNEJ-VWLOTQADSA-N	0	0	431.532	5.185	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002868527	555848692	/nfs/dbraw/zinc/84/86/92/555848692.db2.gz	AHKWGLVSLPVSDA-VWLOTQADSA-N	0	0	437.580	5.708	50	30		IKEARN
CC(=O)c1cccc(NC2=C(Cl)C(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1	ZINC000002896517	555860221	/nfs/dbraw/zinc/86/02/21/555860221.db2.gz	HTPNPHJDDXMDKA-UHFFFAOYSA-N	0	0	435.521	6.719	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1	ZINC000002894309	555860277	/nfs/dbraw/zinc/86/02/77/555860277.db2.gz	MZFAGHRXVPACTI-HXUWFJFHSA-N	0	0	432.358	5.150	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N	ZINC000002912776	555862359	/nfs/dbraw/zinc/86/23/59/555862359.db2.gz	ITBXDBVCFSZDFC-MHZLTWQESA-N	0	0	438.527	6.060	50	30		IKEARN
O=C(OC(=CNc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000003106372	555887703	/nfs/dbraw/zinc/88/77/03/555887703.db2.gz	YRROTLVBHHAGRH-MOSHPQCFSA-N	0	0	430.262	6.126	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(F)(F)F	ZINC000003119171	555888757	/nfs/dbraw/zinc/88/87/57/555888757.db2.gz	XAYVTSHJSWMCJJ-UHFFFAOYSA-N	0	0	426.238	5.867	50	30		IKEARN
O=C(NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000003138649	555891093	/nfs/dbraw/zinc/89/10/93/555891093.db2.gz	RQOGRVXZVYCKRQ-UHFFFAOYSA-N	0	0	430.270	5.368	50	30		IKEARN
O=C(NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000003138648	555891111	/nfs/dbraw/zinc/89/11/11/555891111.db2.gz	XDUXMXIVFQKXSH-UHFFFAOYSA-N	0	0	430.270	5.368	50	30		IKEARN
O=C1c2cc(Cl)ccc2SC/C1=C\c1ccc(-c2ccccc2OC(F)(F)F)o1	ZINC000003139107	555891482	/nfs/dbraw/zinc/89/14/82/555891482.db2.gz	NSHJFOLWROMZSD-FMIVXFBMSA-N	0	0	436.838	6.871	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl	ZINC000003147782	555891999	/nfs/dbraw/zinc/89/19/99/555891999.db2.gz	RXEVFQIQBAFKFA-OAHLLOKOSA-N	0	0	444.628	6.034	50	30		IKEARN
O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccccc1OC1CCCC1	ZINC000034771969	555892672	/nfs/dbraw/zinc/89/26/72/555892672.db2.gz	WGTKSOJNPQSDIT-CPNJWEJPSA-N	0	0	432.467	5.918	50	30		IKEARN
CSc1ccc(/C=N/c2cccc3c(/N=C/c4ccc(SC)cc4)cccc23)cc1	ZINC000003162081	555893006	/nfs/dbraw/zinc/89/30/06/555893006.db2.gz	BXEPJMKQNNEUTF-XUIWWLCJSA-N	0	0	426.610	7.785	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1	ZINC000003772462	555946693	/nfs/dbraw/zinc/94/66/93/555946693.db2.gz	WFCYVGXXJPBHNY-HHHXNRCGSA-N	0	0	445.607	6.086	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc32)cc1	ZINC000004046889	555955091	/nfs/dbraw/zinc/95/50/91/555955091.db2.gz	IBSKXRMGHUTOPQ-JRPXNJEYSA-N	0	0	446.550	6.828	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc32)cc1	ZINC000004046891	555955161	/nfs/dbraw/zinc/95/51/61/555955161.db2.gz	IBSKXRMGHUTOPQ-URAOTHONSA-N	0	0	446.550	6.828	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000004043998	555955206	/nfs/dbraw/zinc/95/52/06/555955206.db2.gz	LPRZIIKGLMNTQR-HFZDXXHNSA-N	0	0	444.575	5.067	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc3ccccc32)cc1	ZINC000004046890	555955246	/nfs/dbraw/zinc/95/52/46/555955246.db2.gz	IBSKXRMGHUTOPQ-IIMAJNMQSA-N	0	0	446.550	6.828	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000004048130	555955589	/nfs/dbraw/zinc/95/55/89/555955589.db2.gz	AHURIOZKCVUFMA-DNOBIOAJSA-N	0	0	444.962	6.718	50	30		IKEARN
CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000004060581	555956525	/nfs/dbraw/zinc/95/65/25/555956525.db2.gz	WVSUBUTVJZRGPG-HSZRJFAPSA-N	0	0	441.568	5.040	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004060371	555956641	/nfs/dbraw/zinc/95/66/41/555956641.db2.gz	KXTDPSFRKVEGGC-RXFWQSSRSA-N	0	0	445.559	5.400	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1	ZINC000004064675	555957066	/nfs/dbraw/zinc/95/70/66/555957066.db2.gz	GTAYUCKXHAMCRM-DJUQAAIZSA-N	0	0	446.550	6.828	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1	ZINC000004064903	555957120	/nfs/dbraw/zinc/95/71/20/555957120.db2.gz	MXFDBTUHCCBVNF-CLYVBNDRSA-N	0	0	426.516	5.683	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004064668	555957125	/nfs/dbraw/zinc/95/71/25/555957125.db2.gz	MQCRGRCXXRGJAF-FQRUVTKNSA-N	0	0	445.559	5.400	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2	ZINC000004065633	555957415	/nfs/dbraw/zinc/95/74/15/555957415.db2.gz	LNVYGCRQHNZVOG-CRICUBBOSA-N	0	0	435.354	6.973	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1	ZINC000004064918	555957466	/nfs/dbraw/zinc/95/74/66/555957466.db2.gz	MXFDBTUHCCBVNF-XRHLQHRESA-N	0	0	426.516	5.683	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2	ZINC000004082573	555959347	/nfs/dbraw/zinc/95/93/47/555959347.db2.gz	ZVNIIVXBILHVGW-PUAOIOHZSA-N	0	0	435.354	6.973	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Br)cc2)C1	ZINC000004199854	555975963	/nfs/dbraw/zinc/97/59/63/555975963.db2.gz	IMDVVBCBLQUCTH-FQEVSTJZSA-N	0	0	449.352	5.366	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)NC2CCCCC2)cc1)c1cccc2ccccc21	ZINC000004282330	555982844	/nfs/dbraw/zinc/98/28/44/555982844.db2.gz	RSNDSNLEJLNTGV-YZSQISJMSA-N	0	0	431.561	5.190	50	30		IKEARN
CC1C/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000004531648	555999883	/nfs/dbraw/zinc/99/98/83/555999883.db2.gz	LAHSELCFXWSVDZ-QBJFIXQVSA-N	0	0	430.460	6.081	50	30		IKEARN
O=C1/C(=C/c2cccc(Br)c2)CCCC/C1=C\c1cccc(Br)c1	ZINC000004547120	556000487	/nfs/dbraw/zinc/00/04/87/556000487.db2.gz	CNSXFVWMPXOOIB-JYFOCSDGSA-N	0	0	446.182	6.822	50	30		IKEARN
COc1cc2c(c(OC)c1OC)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794449	556012255	/nfs/dbraw/zinc/01/22/55/556012255.db2.gz	QODACFIISUFECI-LJQANCHMSA-N	0	0	427.928	5.566	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1	ZINC000004794501	556012257	/nfs/dbraw/zinc/01/22/57/556012257.db2.gz	NLVJCYLQMXCHRM-RUZDIDTESA-N	0	0	432.564	5.505	50	30		IKEARN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1	ZINC000005092535	556032052	/nfs/dbraw/zinc/03/20/52/556032052.db2.gz	KNSLAUYCFAAQEL-WINIVTDRSA-N	0	0	427.548	6.105	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000005091637	556032094	/nfs/dbraw/zinc/03/20/94/556032094.db2.gz	QGINGTOFZBVZKJ-VWLOTQADSA-N	0	0	431.580	5.552	50	30		IKEARN
CN(C)c1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	ZINC000005295155	556043830	/nfs/dbraw/zinc/04/38/30/556043830.db2.gz	CNAACLSLMFVRAX-XNTDXEJSSA-N	0	0	428.919	5.811	50	30		IKEARN
O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@H](O)c1ccc(Cl)cc1	ZINC000005400650	556051063	/nfs/dbraw/zinc/05/10/63/556051063.db2.gz	OWDXJEXIUNKQIO-XAUWAZNKSA-N	0	0	439.302	5.192	50	30		IKEARN
CCN(CC)c1ccc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c(C)c1	ZINC000006078425	556075311	/nfs/dbraw/zinc/07/53/11/556075311.db2.gz	QNAPBFIWMTZDEO-VHPLVOQASA-N	0	0	438.622	5.445	50	30		IKEARN
CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000006078103	556075371	/nfs/dbraw/zinc/07/53/71/556075371.db2.gz	VTFLLRAXIIQIHX-SANMLTNESA-N	0	0	448.563	5.647	50	30		IKEARN
CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000006162451	556078889	/nfs/dbraw/zinc/07/88/89/556078889.db2.gz	OWTBQNHTJKZQRR-RUZDIDTESA-N	0	0	446.547	5.091	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCCC	ZINC000006162098	556078950	/nfs/dbraw/zinc/07/89/50/556078950.db2.gz	VKDJRACXIQOLNS-XMMPIXPASA-N	0	0	439.596	5.813	50	30		IKEARN
Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1cc(C)cc(C)c1	ZINC000006194040	556080051	/nfs/dbraw/zinc/08/00/51/556080051.db2.gz	YIKXEEKYCSHDHC-YDZHTSKRSA-N	0	0	428.317	6.066	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCCC2	ZINC000006456741	556088881	/nfs/dbraw/zinc/08/88/81/556088881.db2.gz	VYNYDNVVUQFMSI-UHFFFAOYSA-N	0	0	439.890	5.625	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1	ZINC000006459060	556089607	/nfs/dbraw/zinc/08/96/07/556089607.db2.gz	IYWQSLCVXDSORP-NRFANRHFSA-N	0	0	442.496	5.088	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1	ZINC000006462300	556090015	/nfs/dbraw/zinc/09/00/15/556090015.db2.gz	UNCNVXBRFJEQID-JOBSNELWSA-N	0	0	437.569	5.977	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1	ZINC000006498943	556091740	/nfs/dbraw/zinc/09/17/40/556091740.db2.gz	VKWBHSAKGOIDEP-WXTAPIANSA-N	0	0	428.488	5.209	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1	ZINC000007017209	556113471	/nfs/dbraw/zinc/11/34/71/556113471.db2.gz	QZFGQBJWAPWRSN-YMERHICUSA-N	0	0	425.340	6.802	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccc(Cl)cc2)sc2c1CCCC2	ZINC000002749415	556136879	/nfs/dbraw/zinc/13/68/79/556136879.db2.gz	OFRHXPHMDIEDAL-DHRITJCHSA-N	0	0	429.372	6.937	50	30		IKEARN
COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cccc(Cl)c1	ZINC000002791747	556144365	/nfs/dbraw/zinc/14/43/65/556144365.db2.gz	DWMQKAJHVBLBHB-AUEPDCJTSA-N	0	0	438.887	5.061	50	30		IKEARN
N#CCCc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1	ZINC000002807797	556146349	/nfs/dbraw/zinc/14/63/49/556146349.db2.gz	RFGFBZUTKMKETD-UHFFFAOYSA-N	0	0	442.466	5.349	50	30		IKEARN
CCN(CC)c1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1	ZINC000002843349	556147800	/nfs/dbraw/zinc/14/78/00/556147800.db2.gz	UHPFATMSXBVRQZ-LGJNPRDNSA-N	0	0	437.918	7.079	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)SC1=S	ZINC000002964893	556154149	/nfs/dbraw/zinc/15/41/49/556154149.db2.gz	OWUUPQCEIDHYNN-CPNJWEJPSA-N	0	0	445.993	5.705	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1	ZINC000003025726	556157709	/nfs/dbraw/zinc/15/77/09/556157709.db2.gz	RXXGJMFDHNIQSF-HGAXPLMXSA-N	0	0	438.270	7.126	50	30		IKEARN
C(=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1ccccc1	ZINC000008383307	556158932	/nfs/dbraw/zinc/15/89/32/556158932.db2.gz	NJYHHTCFAHCIPJ-NXSLDUQTSA-N	0	0	428.579	7.315	50	30		IKEARN
CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1	ZINC000008384344	556159948	/nfs/dbraw/zinc/15/99/48/556159948.db2.gz	IQGAOGMWSBUQIZ-QFIPXVFZSA-N	0	0	435.476	5.138	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCC	ZINC000008386491	556162174	/nfs/dbraw/zinc/16/21/74/556162174.db2.gz	OMQXJSWEEKPJGU-RUZDIDTESA-N	0	0	447.660	6.464	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1	ZINC000008396050	556163333	/nfs/dbraw/zinc/16/33/33/556163333.db2.gz	LECXDHANEYQVFW-MKRFAJQFSA-N	0	0	428.513	5.841	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O	ZINC000008398048	556164558	/nfs/dbraw/zinc/16/45/58/556164558.db2.gz	PNJIZAARSJFIJX-VQHVLOKHSA-N	0	0	427.125	5.444	50	30		IKEARN
O=C(/C=C/c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1	ZINC000008398254	556164764	/nfs/dbraw/zinc/16/47/64/556164764.db2.gz	FUCSAZATLAVQMN-UKTHLTGXSA-N	0	0	447.450	5.548	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl	ZINC000008398455	556164808	/nfs/dbraw/zinc/16/48/08/556164808.db2.gz	PPPUKZBDLULFAN-XNWCZRBMSA-N	0	0	431.290	6.616	50	30		IKEARN
C(=N/N=C1\SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1)\c1ccco1	ZINC000008399211	556165253	/nfs/dbraw/zinc/16/52/53/556165253.db2.gz	LDRPNWYYHFXLJS-KDZRPQIVSA-N	0	0	449.539	6.683	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)cc1	ZINC000008408086	556166766	/nfs/dbraw/zinc/16/67/66/556166766.db2.gz	WNSQAHIRDVOQCU-OEAKJJBVSA-N	0	0	425.513	5.337	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000008415271	556167710	/nfs/dbraw/zinc/16/77/10/556167710.db2.gz	RLAAGAQFHFKTRS-NRFANRHFSA-N	0	0	444.428	5.451	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000008415103	556167736	/nfs/dbraw/zinc/16/77/36/556167736.db2.gz	WYVWOVOWASGNHA-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1	ZINC000008415095	556167753	/nfs/dbraw/zinc/16/77/53/556167753.db2.gz	ASMXLAJFKACSDY-OAQYLSRUSA-N	0	0	428.866	5.225	50	30		IKEARN
COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1	ZINC000008431174	556170826	/nfs/dbraw/zinc/17/08/26/556170826.db2.gz	KYNOUCMSUPMWLO-ZEQRLZLVSA-N	0	0	427.504	5.128	50	30		IKEARN
COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000008431161	556170862	/nfs/dbraw/zinc/17/08/62/556170862.db2.gz	ZXOVSPPEKNYKJJ-ZHQJDRHOSA-N	0	0	439.353	5.274	50	30		IKEARN
Cc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl	ZINC000008435551	556173340	/nfs/dbraw/zinc/17/33/40/556173340.db2.gz	RMJKYYMMAZHFKE-ODLFYWEKSA-N	0	0	429.328	6.453	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008437022	556173616	/nfs/dbraw/zinc/17/36/16/556173616.db2.gz	YFCXOURGOFDMKA-PDGQHHTCSA-N	0	0	433.435	5.416	50	30		IKEARN
Cc1cccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008439450	556175863	/nfs/dbraw/zinc/17/58/63/556175863.db2.gz	FVDDBMFLRLHQSM-VWLOTQADSA-N	0	0	445.559	5.221	50	30		IKEARN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440874	556176485	/nfs/dbraw/zinc/17/64/85/556176485.db2.gz	QMJRWRUJGMKUMR-HSZRJFAPSA-N	0	0	431.488	5.155	50	30		IKEARN
CCCCCCCCNC(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1	ZINC000008442691	556177353	/nfs/dbraw/zinc/17/73/53/556177353.db2.gz	JVYHBSNJTGVWEQ-UHFFFAOYSA-N	0	0	435.571	7.180	50	30		IKEARN
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	ZINC000008448971	556180706	/nfs/dbraw/zinc/18/07/06/556180706.db2.gz	TZCXOKRQGFGXHD-UHFFFAOYSA-N	0	0	435.564	6.565	50	30		IKEARN
CCCCCCCCCCCCOC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1	ZINC000008448979	556180727	/nfs/dbraw/zinc/18/07/27/556180727.db2.gz	JSDGSNTXSVIKPM-UHFFFAOYSA-N	0	0	435.564	6.565	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000008450495	556181314	/nfs/dbraw/zinc/18/13/14/556181314.db2.gz	SQKWGNBLDPPRJC-FUQOYWQNSA-N	0	0	443.616	6.677	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2	ZINC000008451584	556182248	/nfs/dbraw/zinc/18/22/48/556182248.db2.gz	HIJAXYPXZLERBN-YSMPRRRNSA-N	0	0	445.028	6.492	50	30		IKEARN
N#Cc1cnc2c(/N=N\c3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1	ZINC000097411227	556190671	/nfs/dbraw/zinc/19/06/71/556190671.db2.gz	IDTPYYWCUPVNEC-RQZHXJHFSA-N	0	0	430.884	5.529	50	30		IKEARN
Cc1c(C(=O)ONC(=N)c2ccc(C(C)(C)C)cc2)sc2cc(C(C)(C)C)sc12	ZINC000008618125	556192905	/nfs/dbraw/zinc/19/29/05/556192905.db2.gz	MQDQSHUGKHAKOF-UHFFFAOYSA-N	0	0	428.623	6.344	50	30		IKEARN
Cc1c(C(=O)ONC(=N)c2ccc(C(F)(F)F)cc2)sc2cc(C(C)(C)C)sc12	ZINC000008618127	556192946	/nfs/dbraw/zinc/19/29/46/556192946.db2.gz	MZJYPUOCDGTUTN-UHFFFAOYSA-N	0	0	440.512	6.065	50	30		IKEARN
CN(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(N(C)C)cc3Cl)C2=O)c(Cl)c1	ZINC000008628161	556193860	/nfs/dbraw/zinc/19/38/60/556193860.db2.gz	JYXJLAFLYANCKO-KLCVKJMQSA-N	0	0	429.391	6.345	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008648862	556196646	/nfs/dbraw/zinc/19/66/46/556196646.db2.gz	JNBWPKDJNPFNMP-DNTJNYDQSA-N	0	0	436.211	5.219	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000008742242	556207391	/nfs/dbraw/zinc/20/73/91/556207391.db2.gz	UAMHNFUXDDMCPH-HOFKKMOUSA-N	0	0	443.587	5.810	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(C)c2)cc1	ZINC000008779934	556214641	/nfs/dbraw/zinc/21/46/41/556214641.db2.gz	PCUDZKQAQSCLPO-RUZDIDTESA-N	0	0	445.559	5.351	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000008781195	556214676	/nfs/dbraw/zinc/21/46/76/556214676.db2.gz	IRAFJWCEGJOZKT-QHCPKHFHSA-N	0	0	432.907	6.602	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1	ZINC000008829909	556225227	/nfs/dbraw/zinc/22/52/27/556225227.db2.gz	BLHUVRPHLDLWRE-IBGZPJMESA-N	0	0	435.376	5.300	50	30	aggregator	IKEARN
O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1	ZINC000008837427	556226090	/nfs/dbraw/zinc/22/60/90/556226090.db2.gz	BXFAFNUBDSUWKZ-VWLOTQADSA-N	0	0	448.478	5.657	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1	ZINC000008846696	556227215	/nfs/dbraw/zinc/22/72/15/556227215.db2.gz	SWLSQKIALIIEJM-WXTAPIANSA-N	0	0	448.488	6.993	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1	ZINC000008857450	556227754	/nfs/dbraw/zinc/22/77/54/556227754.db2.gz	RJURTOCYQLFIPM-UPCLLVRISA-N	0	0	437.561	5.497	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)N4CCCC4)cc3)ccc21	ZINC000008873545	556229917	/nfs/dbraw/zinc/22/99/17/556229917.db2.gz	XLLPTQINUBTCAX-NLRVBDNBSA-N	0	0	431.561	5.350	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)c(Cl)c2)o1	ZINC000008914173	556232001	/nfs/dbraw/zinc/23/20/01/556232001.db2.gz	GYKFWZDWSXIVOD-LJQANCHMSA-N	0	0	443.286	5.068	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1	ZINC000008916826	556232764	/nfs/dbraw/zinc/23/27/64/556232764.db2.gz	CQJJTUOODQCOMJ-PZGXJGMVSA-N	0	0	436.599	7.272	50	30		IKEARN
Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1	ZINC000008922679	556233771	/nfs/dbraw/zinc/23/37/71/556233771.db2.gz	ZDYOQYKUGJUPFX-PUHSMXRQSA-N	0	0	431.919	5.055	50	30		IKEARN
O=[N+]([O-])c1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1	ZINC000008952375	556236158	/nfs/dbraw/zinc/23/61/58/556236158.db2.gz	PVDHHCYITVVQQC-WSDLNYQXSA-N	0	0	437.253	5.612	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2)cc1	ZINC000008997144	556239903	/nfs/dbraw/zinc/23/99/03/556239903.db2.gz	DNXSRZULBGSFSP-PZGXJGMVSA-N	0	0	437.587	6.512	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000009007669	556240281	/nfs/dbraw/zinc/24/02/81/556240281.db2.gz	GHSDRJJBTNDFKZ-QHCPKHFHSA-N	0	0	446.934	5.637	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000009041728	556241941	/nfs/dbraw/zinc/24/19/41/556241941.db2.gz	AZRWCPUUKODWHN-QFIPXVFZSA-N	0	0	428.454	5.868	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000009065288	556244576	/nfs/dbraw/zinc/24/45/76/556244576.db2.gz	REPOGVPKXXNEMH-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@@H]2c1ccc(F)cc1	ZINC000009065872	556244770	/nfs/dbraw/zinc/24/47/70/556244770.db2.gz	QBBPTIJQORIYBA-AREMUKBSSA-N	0	0	440.518	6.279	50	30		IKEARN
CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1ccc(N(C)C)cc1	ZINC000009070012	556245147	/nfs/dbraw/zinc/24/51/47/556245147.db2.gz	GGWPTCMCWGXRBJ-DEOSSOPVSA-N	0	0	448.636	5.263	50	30		IKEARN
CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1ccc(N(C)C)cc1	ZINC000009070016	556245178	/nfs/dbraw/zinc/24/51/78/556245178.db2.gz	GGWPTCMCWGXRBJ-XMMPIXPASA-N	0	0	448.636	5.263	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC	ZINC000009087753	556245514	/nfs/dbraw/zinc/24/55/14/556245514.db2.gz	QFAIFCOJESFSFW-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009110182	556247402	/nfs/dbraw/zinc/24/74/02/556247402.db2.gz	NYPUIMUEMHXKAX-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1	ZINC000009191633	556254078	/nfs/dbraw/zinc/25/40/78/556254078.db2.gz	QZJAJWSFAMOGSR-DNOBIOAJSA-N	0	0	442.515	5.599	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1	ZINC000009191628	556254149	/nfs/dbraw/zinc/25/41/49/556254149.db2.gz	QZJAJWSFAMOGSR-MYUZEXMDSA-N	0	0	442.515	5.599	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000009246829	556267057	/nfs/dbraw/zinc/26/70/57/556267057.db2.gz	PYYUUKYQCKCTOA-WGDIFIGCSA-N	0	0	432.926	6.767	50	30		IKEARN
Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F	ZINC000009259336	556267628	/nfs/dbraw/zinc/26/76/28/556267628.db2.gz	OTZXKQCVSZMKLX-SSDVNMTOSA-N	0	0	431.265	5.350	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000009259086	556267791	/nfs/dbraw/zinc/26/77/91/556267791.db2.gz	IXXQAWYPQGUEBB-VCHYOVAHSA-N	0	0	443.843	5.539	50	30		IKEARN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000009264147	556270093	/nfs/dbraw/zinc/27/00/93/556270093.db2.gz	PTLWWTDWVKTKCF-RUZDIDTESA-N	0	0	443.934	6.552	50	30		IKEARN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1	ZINC000009264158	556270167	/nfs/dbraw/zinc/27/01/67/556270167.db2.gz	ODPHRYGXPPCFJO-RUZDIDTESA-N	0	0	428.919	6.161	50	30		IKEARN
COc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1	ZINC000009264218	556270421	/nfs/dbraw/zinc/27/04/21/556270421.db2.gz	QRQLZJVNQOGLIB-XMMPIXPASA-N	0	0	429.476	5.501	50	30		IKEARN
CCCNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000009264280	556270466	/nfs/dbraw/zinc/27/04/66/556270466.db2.gz	IXTIJJBSFVIQTD-BCHFMIIMSA-N	0	0	441.531	5.773	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000009264214	556270495	/nfs/dbraw/zinc/27/04/95/556270495.db2.gz	GIXZSSHMMHVCAO-HSZRJFAPSA-N	0	0	433.895	6.145	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000009271670	556271004	/nfs/dbraw/zinc/27/10/04/556271004.db2.gz	UYZHUUDARHVZRK-HXUWFJFHSA-N	0	0	442.353	5.608	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1	ZINC000009272735	556271393	/nfs/dbraw/zinc/27/13/93/556271393.db2.gz	IQCHBIOTWKRKRW-HSZRJFAPSA-N	0	0	431.919	5.469	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1	ZINC000009300559	556275938	/nfs/dbraw/zinc/27/59/38/556275938.db2.gz	SWEXRNUITMYTMM-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
CCOc1ccc(/N=C2\NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cn4)c3C)S2)cc1	ZINC000009311843	556279965	/nfs/dbraw/zinc/27/99/65/556279965.db2.gz	QERIFUGHCXVIIM-FYJGNVAPSA-N	0	0	432.549	5.088	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000009363625	556285759	/nfs/dbraw/zinc/28/57/59/556285759.db2.gz	SVVJYRCQROMLLJ-FQEVSTJZSA-N	0	0	434.289	5.232	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000009374699	556286729	/nfs/dbraw/zinc/28/67/29/556286729.db2.gz	DPXYSGGAJFIYSL-NRFANRHFSA-N	0	0	441.955	5.252	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1	ZINC000009546504	556297392	/nfs/dbraw/zinc/29/73/92/556297392.db2.gz	JBTUOHMTNWAOJK-QYBDOPJKSA-N	0	0	439.490	5.600	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3cccc(Cl)c3)C12	ZINC000009546525	556297395	/nfs/dbraw/zinc/29/73/95/556297395.db2.gz	LDLXGEDURBQYLF-IQMFZBJNSA-N	0	0	431.948	6.167	50	30		IKEARN
O=c1oc2ccccc2cc1-c1csc(N=NCc2ccc(Br)cc2)n1	ZINC000013739434	556298096	/nfs/dbraw/zinc/29/80/96/556298096.db2.gz	IZLBRKOBYXGVDP-UFFVCSGVSA-N	0	0	426.295	5.125	50	30		IKEARN
CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Br)cc1	ZINC000013748769	556298388	/nfs/dbraw/zinc/29/83/88/556298388.db2.gz	LGNBPKGJXMXFNJ-OAQYLSRUSA-N	0	0	444.398	5.613	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)c1	ZINC000009559872	556298560	/nfs/dbraw/zinc/29/85/60/556298560.db2.gz	ZYDCFFHSFVTXPW-SJCJKPOMSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1	ZINC000009559869	556298585	/nfs/dbraw/zinc/29/85/85/556298585.db2.gz	VBOMNYVAOUBMGG-MLGOLLRUSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1	ZINC000009559868	556298595	/nfs/dbraw/zinc/29/85/95/556298595.db2.gz	VBOMNYVAOUBMGG-LRDDRELGSA-N	0	0	446.330	5.015	50	30		IKEARN
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O	ZINC000009560077	556299476	/nfs/dbraw/zinc/29/94/76/556299476.db2.gz	YDFSVUSOZNKRKV-HIFRSBDPSA-N	0	0	446.330	5.102	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1	ZINC000009560047	556299494	/nfs/dbraw/zinc/29/94/94/556299494.db2.gz	VMJSNTZIJYYPPK-HYBUGGRVSA-N	0	0	439.511	5.492	50	30		IKEARN
CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccccc2)cc1	ZINC000013756997	556300723	/nfs/dbraw/zinc/30/07/23/556300723.db2.gz	OVIZWAHKNZVBBT-RSZPVBOMSA-N	0	0	446.623	5.104	50	30		IKEARN
Oc1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c(O)c1	ZINC000013756669	556300845	/nfs/dbraw/zinc/30/08/45/556300845.db2.gz	GMGLSVRLSKNDJQ-BHGWPJFGSA-N	0	0	425.275	5.461	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1ccc(Cl)cc1	ZINC000009601154	556302480	/nfs/dbraw/zinc/30/24/80/556302480.db2.gz	RQYTZFCFQAGKKK-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
CCCCCC(=O)c1c(C(=O)c2ccccc2)ccc2c1=NC1=C(CN=2)C(=O)CC(C)(C)C1	ZINC000009720984	556307532	/nfs/dbraw/zinc/30/75/32/556307532.db2.gz	HURJGCKPFBJUSM-UHFFFAOYSA-N	0	0	442.559	6.452	50	30		IKEARN
COc1ccccc1[C@@H]1[C@@H](C(=O)c2ccc(C)cc2)N2c3ccccc3C=C[C@@H]2C1(C#N)C#N	ZINC000009761110	556308256	/nfs/dbraw/zinc/30/82/56/556308256.db2.gz	SCDXHRWLTOMYIQ-PFBJBMPXSA-N	0	0	445.522	5.288	50	30		IKEARN
Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1	ZINC000003073136	556308944	/nfs/dbraw/zinc/30/89/44/556308944.db2.gz	MEGGNNHBYKJZGM-PCLIKHOPSA-N	0	0	446.484	5.575	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc3c(c1)OCO3)N2	ZINC000009861254	556314648	/nfs/dbraw/zinc/31/46/48/556314648.db2.gz	JFOJXPWQRSGYCA-AREMUKBSSA-N	0	0	438.483	5.232	50	30		IKEARN
CSc1ccc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009861354	556315028	/nfs/dbraw/zinc/31/50/28/556315028.db2.gz	CNXAMYHANVQIQJ-SANMLTNESA-N	0	0	440.568	6.229	50	30		IKEARN
COc1ccc(OC)c([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1	ZINC000013838859	556317258	/nfs/dbraw/zinc/31/72/58/556317258.db2.gz	MQMQMQMTYBPBLG-DEOSSOPVSA-N	0	0	425.488	5.334	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1	ZINC000009934356	556318288	/nfs/dbraw/zinc/31/82/88/556318288.db2.gz	RNCCSISZHQBOIK-DNOBIOAJSA-N	0	0	442.515	5.599	50	30		IKEARN
C=CCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl	ZINC000032754433	556323766	/nfs/dbraw/zinc/32/37/66/556323766.db2.gz	WEDXXOPOQYZCMT-NSHDSACASA-N	0	0	438.384	5.972	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1	ZINC000010059676	556324107	/nfs/dbraw/zinc/32/41/07/556324107.db2.gz	FTQRSPSNNSZBAA-QFIPXVFZSA-N	0	0	430.577	5.537	50	30		IKEARN
CCCOc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC	ZINC000010059698	556324112	/nfs/dbraw/zinc/32/41/12/556324112.db2.gz	NNIBIDYEKKSCLP-AREMUKBSSA-N	0	0	429.541	6.351	50	30		IKEARN
C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O	ZINC000013895873	556329204	/nfs/dbraw/zinc/32/92/04/556329204.db2.gz	YSLXPAUGCBPIFW-GZAOZUBMSA-N	0	0	446.528	5.527	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3Cl)o2)c1	ZINC000013896115	556329319	/nfs/dbraw/zinc/32/93/19/556329319.db2.gz	CKALSSUYZLXPJF-GZIVZEMBSA-N	0	0	445.089	6.914	50	30		IKEARN
CCc1ccc(OCCCOc2c(C=NNc3ccc([N+](=O)[O-])cc3)cccc2OC)cc1	ZINC000013940710	556338171	/nfs/dbraw/zinc/33/81/71/556338171.db2.gz	BAIKJICJVMNHQE-NLRVBDNBSA-N	0	0	449.507	5.460	50	30		IKEARN
C/C(=N\Nc1ncc(-c2cc3c(ccc4ccccc43)oc2=O)s1)c1ccc(Cl)cc1	ZINC000013942141	556339319	/nfs/dbraw/zinc/33/93/19/556339319.db2.gz	JULWBBFUKLUOSS-MZJWZYIUSA-N	0	0	445.931	6.559	50	30		IKEARN
O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(OC(F)F)cc1	ZINC000013960095	556346993	/nfs/dbraw/zinc/34/69/93/556346993.db2.gz	ZWYHAOJQBUAAOZ-BQYQJAHWSA-N	0	0	442.311	5.913	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1	ZINC000014008708	556353853	/nfs/dbraw/zinc/35/38/53/556353853.db2.gz	GXWCLHZQMFPTCJ-CPNJWEJPSA-N	0	0	443.450	5.396	50	30		IKEARN
N#Cc1ccccc1CSCCNC(=O)NCc1ccc(-c2nc3ccccc3s2)o1	ZINC000032802022	556365111	/nfs/dbraw/zinc/36/51/11/556365111.db2.gz	BXIOLUOAQIEHHV-UHFFFAOYSA-N	0	0	448.573	5.161	50	30		IKEARN
COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)c1	ZINC000032816941	556393132	/nfs/dbraw/zinc/39/31/32/556393132.db2.gz	UWHJELTWDGRXQL-OAQYLSRUSA-N	0	0	434.927	5.265	50	30		IKEARN
COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)c1	ZINC000032816943	556393155	/nfs/dbraw/zinc/39/31/55/556393155.db2.gz	UWHJELTWDGRXQL-NRFANRHFSA-N	0	0	434.927	5.265	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1ccccc1	ZINC000032594056	556407460	/nfs/dbraw/zinc/40/74/60/556407460.db2.gz	FGNUKVQUNKLMTC-UHFFFAOYSA-N	0	0	429.907	6.100	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C/c1ccco1	ZINC000032625332	556411506	/nfs/dbraw/zinc/41/15/06/556411506.db2.gz	DLWZBEVNZKGYDE-LGMDPLHJSA-N	0	0	444.943	7.239	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SC2CCCCC2)cc1	ZINC000032828833	556413338	/nfs/dbraw/zinc/41/33/38/556413338.db2.gz	FJKVPUGGJCDBFY-NRFANRHFSA-N	0	0	437.590	5.402	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1	ZINC000032828926	556413501	/nfs/dbraw/zinc/41/35/01/556413501.db2.gz	MUJFHYBDVPHPJZ-OAQYLSRUSA-N	0	0	449.532	5.267	50	30		IKEARN
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2	ZINC000014361051	556414763	/nfs/dbraw/zinc/41/47/63/556414763.db2.gz	RNKKQICEWXXNSW-QHCPKHFHSA-N	0	0	447.922	5.170	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccs1	ZINC000014606469	556429741	/nfs/dbraw/zinc/42/97/41/556429741.db2.gz	VDYGLSFXKAXVJB-XMMPIXPASA-N	0	0	437.609	5.137	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1cccs1	ZINC000014606473	556429745	/nfs/dbraw/zinc/42/97/45/556429745.db2.gz	QOPUNIBTSAKGCW-VWLOTQADSA-N	0	0	449.620	5.423	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccs1	ZINC000014606468	556429753	/nfs/dbraw/zinc/42/97/53/556429753.db2.gz	VDYGLSFXKAXVJB-DEOSSOPVSA-N	0	0	437.609	5.137	50	30		IKEARN
Cc1cc(C)cc(N(CCC#N)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc32)c1	ZINC000014674335	556431707	/nfs/dbraw/zinc/43/17/07/556431707.db2.gz	GSGDPICGRUNGNE-UHFFFAOYSA-N	0	0	442.346	5.793	50	30		IKEARN
COc1ccc(Br)c(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1	ZINC000015015733	556484889	/nfs/dbraw/zinc/48/48/89/556484889.db2.gz	YPZAXSICXQQUND-PXNMLYILSA-N	0	0	437.746	5.311	50	30		IKEARN
O=C1[C@@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000013139795	556485684	/nfs/dbraw/zinc/48/56/84/556485684.db2.gz	NUZCHUGEGNDZAV-ZGKFLROHSA-N	0	0	437.362	5.828	50	30		IKEARN
O=C1[C@H](Cc2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000013139794	556485711	/nfs/dbraw/zinc/48/57/11/556485711.db2.gz	NUZCHUGEGNDZAV-HNWIBAKRSA-N	0	0	437.362	5.828	50	30		IKEARN
O=c1c2c3c(sc2ncn1/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)CCCC3	ZINC000015225756	556512382	/nfs/dbraw/zinc/51/23/82/556512382.db2.gz	QWEHCEDDJCDYNU-BHGWPJFGSA-N	0	0	441.965	5.617	50	30		IKEARN
CCOC(=O)c1ccccc1OCc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OC	ZINC000013535087	556513320	/nfs/dbraw/zinc/51/33/20/556513320.db2.gz	DTILEQJALOMGFN-PGMHBOJBSA-N	0	0	442.511	5.663	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000015303959	556517179	/nfs/dbraw/zinc/51/71/79/556517179.db2.gz	LLNRKJFJWZESND-AFMDSPMNSA-N	0	0	448.488	6.993	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000015303968	556517212	/nfs/dbraw/zinc/51/72/12/556517212.db2.gz	LLNRKJFJWZESND-BCHFMIIMSA-N	0	0	448.488	6.993	50	30		IKEARN
Cc1ccc(C)c(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1	ZINC000003081516	556518491	/nfs/dbraw/zinc/51/84/91/556518491.db2.gz	KLPAXEHHVNCDBM-AQQMUFCHSA-N	0	0	434.333	6.435	50	30		IKEARN
CCC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1	ZINC000003083655	556518693	/nfs/dbraw/zinc/51/86/93/556518693.db2.gz	ITZRYUJKLJAVHQ-SSVJFZKPSA-N	0	0	437.370	8.456	50	30		IKEARN
COc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000003089329	556519210	/nfs/dbraw/zinc/51/92/10/556519210.db2.gz	VQQUFXAZMYKDAX-WYMPLXKRSA-N	0	0	445.258	5.880	50	30		IKEARN
C(=N/NCN(Cc1ccccc1)Cc1ccccc1)\c1c2ccccc2cc2ccccc21	ZINC000015413905	556526442	/nfs/dbraw/zinc/52/64/42/556526442.db2.gz	LXKXEHBJUKMEFS-AJBULDERSA-N	0	0	429.567	6.576	50	30		IKEARN
COc1ccc(Br)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F	ZINC000032123387	556533442	/nfs/dbraw/zinc/53/34/42/556533442.db2.gz	MQMNHMAGFTUQMA-ZRJGMHBZSA-N	0	0	445.132	5.479	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000015769695	556549755	/nfs/dbraw/zinc/54/97/55/556549755.db2.gz	HJWJEHRGWLNEIU-DKUDOZJNSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000015769692	556549773	/nfs/dbraw/zinc/54/97/73/556549773.db2.gz	HJWJEHRGWLNEIU-ZXYASIKESA-N	0	0	440.455	5.086	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1	ZINC000015800146	556552690	/nfs/dbraw/zinc/55/26/90/556552690.db2.gz	WTLMGGXNHSLHJD-OVCLIPMQSA-N	0	0	436.305	5.606	50	30		IKEARN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000015821359	556553603	/nfs/dbraw/zinc/55/36/03/556553603.db2.gz	ZBWRMHOZDPBWOD-VWLOTQADSA-N	0	0	439.471	5.416	50	30		IKEARN
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000015826268	556554291	/nfs/dbraw/zinc/55/42/91/556554291.db2.gz	MTMYSPZMMJHIKN-RUZDIDTESA-N	0	0	442.584	6.513	50	30		IKEARN
CCOC(=O)c1c(C)c(C(C)=O)sc1N=CC1=CC(=[NH+][N-]c2ccccc2)C=CC1=O	ZINC000015930630	556565114	/nfs/dbraw/zinc/56/51/14/556565114.db2.gz	MZTNGDZVIGBGPT-ZXSYOUNQSA-N	0	0	435.505	6.307	50	30		IKEARN
COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O	ZINC000015931923	556565457	/nfs/dbraw/zinc/56/54/57/556565457.db2.gz	QTTXEKJTTJHPLC-NSIKDUERSA-N	0	0	429.712	5.253	50	30		IKEARN
CCCCOc1ccc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3	ZINC000015945079	556566633	/nfs/dbraw/zinc/56/66/33/556566633.db2.gz	MANOFFIFOMLJPO-JFLMPSFJSA-N	0	0	431.561	5.551	50	30		IKEARN
CO/N=C1\CC(C)(C)Cc2c1cc(-c1ccc(Br)cc1)n2-c1ccc(F)cc1	ZINC000033717373	556567063	/nfs/dbraw/zinc/56/70/63/556567063.db2.gz	AFUVBBWBUAGDTE-LHLOQNFPSA-N	0	0	441.344	6.369	50	30		IKEARN
Cc1ccc(/N=C2\C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1	ZINC000015985813	556571229	/nfs/dbraw/zinc/57/12/29/556571229.db2.gz	QMQNOQWCKYAACP-LDBZKYBXSA-N	0	0	445.979	6.105	50	30		IKEARN
Cc1cc(Oc2ncccc2C#N)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000032913164	556587463	/nfs/dbraw/zinc/58/74/63/556587463.db2.gz	INQCBEZQVQCKTB-UHFFFAOYSA-N	0	0	434.304	5.162	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c1C	ZINC000032971773	556589837	/nfs/dbraw/zinc/58/98/37/556589837.db2.gz	CWADUWQGKNNNOT-UHFFFAOYSA-N	0	0	449.624	5.257	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c1C	ZINC000032971807	556589839	/nfs/dbraw/zinc/58/98/39/556589839.db2.gz	ACCDVFHGOLXMJR-UHFFFAOYSA-N	0	0	441.938	5.019	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c1C	ZINC000032972046	556589857	/nfs/dbraw/zinc/58/98/57/556589857.db2.gz	CWBCDCCRYVKTPM-UHFFFAOYSA-N	0	0	449.624	5.257	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(Cl)cc1C	ZINC000032972414	556590552	/nfs/dbraw/zinc/59/05/52/556590552.db2.gz	IIMVWFHAGWMJOS-UHFFFAOYSA-N	0	0	437.975	5.014	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(F)c(Cl)c2)c1C	ZINC000032971909	556590571	/nfs/dbraw/zinc/59/05/71/556590571.db2.gz	KJRKCSWBBYZYGF-UHFFFAOYSA-N	0	0	441.938	5.019	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c(C)n1	ZINC000032973004	556591926	/nfs/dbraw/zinc/59/19/26/556591926.db2.gz	IWAFVAXDMBNESH-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccccc2CC)c(C)n1	ZINC000032972983	556591995	/nfs/dbraw/zinc/59/19/95/556591995.db2.gz	VMFQNBSSMDLVDT-UHFFFAOYSA-N	0	0	435.547	5.010	50	30		IKEARN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1ccc(COc2ccccc2)o1	ZINC000032912902	556593546	/nfs/dbraw/zinc/59/35/46/556593546.db2.gz	ZZBKUKZJPLGRDO-UHFFFAOYSA-N	0	0	425.444	5.478	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c1C	ZINC000032973239	556593651	/nfs/dbraw/zinc/59/36/51/556593651.db2.gz	HAFHJTWUQWONQJ-UHFFFAOYSA-N	0	0	449.574	5.025	50	30		IKEARN
Cc1nn(C)c(C)c1CCNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(C(C)C)cc1	ZINC000032973614	556594573	/nfs/dbraw/zinc/59/45/73/556594573.db2.gz	AISCLDODCLECAB-UHFFFAOYSA-N	0	0	445.611	5.218	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1	ZINC000016294214	556598897	/nfs/dbraw/zinc/59/88/97/556598897.db2.gz	RYMSTZOJZHSMKA-NRFANRHFSA-N	0	0	444.428	5.451	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2cccc(Br)c2)cc1	ZINC000016310689	556599587	/nfs/dbraw/zinc/59/95/87/556599587.db2.gz	GHFUFOIOKPPCCM-LPYMAVHISA-N	0	0	426.270	5.382	50	30		IKEARN
CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1	ZINC000032984255	556602695	/nfs/dbraw/zinc/60/26/95/556602695.db2.gz	JZCCXTQOLWJVQK-UHFFFAOYSA-N	0	0	445.584	6.296	50	30		IKEARN
CSc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)c1	ZINC000032984233	556603471	/nfs/dbraw/zinc/60/34/71/556603471.db2.gz	GNIZRTIJGCUEOU-UHFFFAOYSA-N	0	0	441.961	5.712	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984411	556603604	/nfs/dbraw/zinc/60/36/04/556603604.db2.gz	NYMJQMZQSCSQIQ-UHFFFAOYSA-N	0	0	435.520	5.709	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1	ZINC000016382165	556603795	/nfs/dbraw/zinc/60/37/95/556603795.db2.gz	IRWKEKYNLOFOKN-FQEVSTJZSA-N	0	0	427.306	6.278	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(F)cc1	ZINC000016382167	556603890	/nfs/dbraw/zinc/60/38/90/556603890.db2.gz	IRWKEKYNLOFOKN-HXUWFJFHSA-N	0	0	427.306	6.278	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(OCC)cc3)c3ccccc3S2(=O)=O)cc1	ZINC000032984302	556604071	/nfs/dbraw/zinc/60/40/71/556604071.db2.gz	MZWDMBFFYVULMD-UHFFFAOYSA-N	0	0	449.528	5.134	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984293	556604075	/nfs/dbraw/zinc/60/40/75/556604075.db2.gz	GYIWYYSKHHCRPL-UHFFFAOYSA-N	0	0	433.529	5.352	50	30		IKEARN
CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984345	556604294	/nfs/dbraw/zinc/60/42/94/556604294.db2.gz	WKHXLBXLBLKCSJ-UHFFFAOYSA-N	0	0	437.492	5.183	50	30		IKEARN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1	ZINC000016426549	556606759	/nfs/dbraw/zinc/60/67/59/556606759.db2.gz	BINPVEMYXWENRX-MYUZEXMDSA-N	0	0	444.962	6.718	50	30		IKEARN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1	ZINC000016426543	556606804	/nfs/dbraw/zinc/60/68/04/556606804.db2.gz	BINPVEMYXWENRX-XRHLQHRESA-N	0	0	444.962	6.718	50	30		IKEARN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1	ZINC000016426552	556606842	/nfs/dbraw/zinc/60/68/42/556606842.db2.gz	BINPVEMYXWENRX-CLYVBNDRSA-N	0	0	444.962	6.718	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1	ZINC000016447598	556608063	/nfs/dbraw/zinc/60/80/63/556608063.db2.gz	DGXSOXOBGCYYPX-VWNXMTODSA-N	0	0	437.539	5.578	50	30		IKEARN
Cc1ccc2c(c1)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2	ZINC000016474310	556609900	/nfs/dbraw/zinc/60/99/00/556609900.db2.gz	UJZANIZMWMDRKJ-OAQYLSRUSA-N	0	0	427.342	5.685	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000032916779	556615637	/nfs/dbraw/zinc/61/56/37/556615637.db2.gz	BPRGRPBFRSPLDW-WSDLNYQXSA-N	0	0	446.532	5.511	50	30		IKEARN
CCCCCCCCCCCCc1ccc(-c2ccc(CCCCCCCC)cn2)cc1	ZINC000100566237	556620949	/nfs/dbraw/zinc/62/09/49/556620949.db2.gz	GBDWCLPXQANTIE-UHFFFAOYSA-N	0	0	435.740	10.115	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c(OC)c1	ZINC000016677579	556622681	/nfs/dbraw/zinc/62/26/81/556622681.db2.gz	YKLRDHIWOAIOCL-JVWAILMASA-N	0	0	444.922	5.927	50	30		IKEARN
COc1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21	ZINC000016677662	556622687	/nfs/dbraw/zinc/62/26/87/556622687.db2.gz	MFJJEXWKZKLWQO-ZVHZXABRSA-N	0	0	433.309	5.514	50	30		IKEARN
FC(F)Oc1ccc(/C=N/c2c(-c3ccc(OC(F)F)cc3)nc3n2CCS3)cc1	ZINC000100574692	556622857	/nfs/dbraw/zinc/62/28/57/556622857.db2.gz	LHTCYTITHFDZQG-OPEKNORGSA-N	0	0	437.418	5.609	50	30		IKEARN
Cc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1C	ZINC000003113628	556626811	/nfs/dbraw/zinc/62/68/11/556626811.db2.gz	NSWXYSJTCLPSCI-OPEKNORGSA-N	0	0	449.304	6.353	50	30		IKEARN
O=C1/C(=C\c2cccc(Br)c2)CCC/C1=C/c1cccc(Br)c1	ZINC000033721097	556627361	/nfs/dbraw/zinc/62/73/61/556627361.db2.gz	AHJCUJSTWXHHHI-APGQMXJTSA-N	0	0	432.155	6.432	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000033744662	556629626	/nfs/dbraw/zinc/62/96/26/556629626.db2.gz	ORDAQYJPJNSNSJ-ZNZIZOMTSA-N	0	0	433.486	5.418	50	30		IKEARN
CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)cc1	ZINC000100606124	556630448	/nfs/dbraw/zinc/63/04/48/556630448.db2.gz	HYOOUGKYJPIKNY-QHCPKHFHSA-N	0	0	429.604	7.584	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000016735777	556633312	/nfs/dbraw/zinc/63/33/12/556633312.db2.gz	FOTAODVASHTWEO-VWLOTQADSA-N	0	0	425.528	5.897	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016741222	556634918	/nfs/dbraw/zinc/63/49/18/556634918.db2.gz	GKWWIEPEERDZRD-XMMPIXPASA-N	0	0	444.506	5.431	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000016741364	556635059	/nfs/dbraw/zinc/63/50/59/556635059.db2.gz	UQXFYDZYUFUNOG-DEOSSOPVSA-N	0	0	431.532	5.448	50	30		IKEARN
CCOc1cc(/C=C2/Oc3ccc(Cl)cc3C2=O)ccc1OC(=O)c1ccc(C)cc1	ZINC000016742201	556636001	/nfs/dbraw/zinc/63/60/01/556636001.db2.gz	MIGDXTJBNUGXQI-YDZHTSKRSA-N	0	0	434.875	5.883	50	30		IKEARN
CC(=[NH+]Cc1ccc(F)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000100636623	556637483	/nfs/dbraw/zinc/63/74/83/556637483.db2.gz	HGMLPDPARCTNCY-YUMHPJSZSA-N	0	0	442.519	5.591	50	30		IKEARN
CC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1	ZINC000016753170	556638104	/nfs/dbraw/zinc/63/81/04/556638104.db2.gz	IFOCZCRQMBPTNL-LSFURLLWSA-N	0	0	439.755	6.175	50	30		IKEARN
CC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccc(Cl)cc1	ZINC000016753172	556638186	/nfs/dbraw/zinc/63/81/86/556638186.db2.gz	VHTKAXSDSMIBJX-ZMOGYAJESA-N	0	0	426.973	6.165	50	30		IKEARN
CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779349	556641058	/nfs/dbraw/zinc/64/10/58/556641058.db2.gz	APMCBNXDEBYPDP-DIFFPNOSSA-N	0	0	429.611	5.231	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(Cl)c1	ZINC000003113733	556642272	/nfs/dbraw/zinc/64/22/72/556642272.db2.gz	ALFAYFQVVIAURL-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCc2ccccc2)[C@H]1c1cccs1	ZINC000016806160	556643948	/nfs/dbraw/zinc/64/39/48/556643948.db2.gz	AWACMYWSLBVEDN-QFIPXVFZSA-N	0	0	429.497	5.315	50	30		IKEARN
CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100698022	556650698	/nfs/dbraw/zinc/65/06/98/556650698.db2.gz	SAVMAVGCQZBMKQ-QFEZKATASA-N	0	0	438.519	5.964	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2	ZINC000017028201	556653575	/nfs/dbraw/zinc/65/35/75/556653575.db2.gz	OLWBKSRHNUZJJA-AREMUKBSSA-N	0	0	446.547	5.604	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl	ZINC000003113773	556656460	/nfs/dbraw/zinc/65/64/60/556656460.db2.gz	XMEABQGXSZSJTQ-OPEKNORGSA-N	0	0	431.706	7.214	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C	ZINC000017084960	556656769	/nfs/dbraw/zinc/65/67/69/556656769.db2.gz	JKQDMARGBGWDEQ-HZYJKNPPSA-N	0	0	441.984	5.357	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C	ZINC000017084970	556657136	/nfs/dbraw/zinc/65/71/36/556657136.db2.gz	UELOCFQDPDIFTQ-IPQBESIJSA-N	0	0	427.957	5.103	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C	ZINC000017084976	556657161	/nfs/dbraw/zinc/65/71/61/556657161.db2.gz	JKBFETATFPMYJS-HZYJKNPPSA-N	0	0	441.984	5.412	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)cc1Cl	ZINC000003113788	556658798	/nfs/dbraw/zinc/65/87/98/556658798.db2.gz	RAQIBRSPBOYJPL-BHGWPJFGSA-N	0	0	446.131	7.315	50	30		IKEARN
O=C(NC1CCCC1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000017095561	556659042	/nfs/dbraw/zinc/65/90/42/556659042.db2.gz	KLGGJIABGQYAFT-JVWAILMASA-N	0	0	427.573	6.174	50	30		IKEARN
CC[C@@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1	ZINC000017096266	556659986	/nfs/dbraw/zinc/65/99/86/556659986.db2.gz	ZRNPRINBFFCLDN-KSXCTLEASA-N	0	0	429.029	6.730	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3c(C)cccc3C)c2c1	ZINC000011866451	556666410	/nfs/dbraw/zinc/66/64/10/556666410.db2.gz	NULNRPMDESNAMX-UHFFFAOYSA-N	0	0	441.527	6.932	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3C)c2c1	ZINC000011866443	556666590	/nfs/dbraw/zinc/66/65/90/556666590.db2.gz	MZFMBDSENMPPAU-UHFFFAOYSA-N	0	0	427.500	6.624	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c(Cl)c1	ZINC000003113884	556669258	/nfs/dbraw/zinc/66/92/58/556669258.db2.gz	FPXSCLMXNUFIHV-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1	ZINC000010013790	556672263	/nfs/dbraw/zinc/67/22/63/556672263.db2.gz	WPLZZPUOMLGFGI-HSZRJFAPSA-N	0	0	438.568	5.791	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000017195158	556672618	/nfs/dbraw/zinc/67/26/18/556672618.db2.gz	LJOHDXCOSBONGV-IBGZPJMESA-N	0	0	445.544	5.838	50	30		IKEARN
CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000248294843	556678586	/nfs/dbraw/zinc/67/85/86/556678586.db2.gz	WHLBCNRCXJZXMF-RTOMLYRKSA-N	0	0	428.610	5.320	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000018137678	556684679	/nfs/dbraw/zinc/68/46/79/556684679.db2.gz	FCTUPJZLWWGATE-CCLHPLFOSA-N	0	0	426.491	5.746	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000018155906	556685264	/nfs/dbraw/zinc/68/52/64/556685264.db2.gz	AUGPVCVOLVUIRU-SSOJOUAXSA-N	0	0	432.907	5.854	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)nc1	ZINC000018155752	556685279	/nfs/dbraw/zinc/68/52/79/556685279.db2.gz	CYCYNJMNVMKCRD-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000018155901	556685311	/nfs/dbraw/zinc/68/53/11/556685311.db2.gz	AUGPVCVOLVUIRU-CRICUBBOSA-N	0	0	432.907	5.854	50	30		IKEARN
COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@@H]1c1ccco1	ZINC000018219496	556687416	/nfs/dbraw/zinc/68/74/16/556687416.db2.gz	WAPNHCQFZGTYRX-CPJLOUKISA-N	0	0	428.488	5.355	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(I)c1	ZINC000018250040	556688234	/nfs/dbraw/zinc/68/82/34/556688234.db2.gz	MYEIBTIZYYFAFE-HXUWFJFHSA-N	0	0	444.316	5.513	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1	ZINC000018250735	556688409	/nfs/dbraw/zinc/68/84/09/556688409.db2.gz	AKKBVQSJPCVNPB-GKVSMKOHSA-N	0	0	432.520	5.808	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Cl	ZINC000018322543	556689335	/nfs/dbraw/zinc/68/93/35/556689335.db2.gz	QLJYLEUKPIZAFW-RUZDIDTESA-N	0	0	436.983	6.673	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1	ZINC000018285630	556689349	/nfs/dbraw/zinc/68/93/49/556689349.db2.gz	BXNREIQYHKIHTL-WTYVLRPYSA-N	0	0	440.518	6.136	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(F)cc1	ZINC000018285623	556689454	/nfs/dbraw/zinc/68/94/54/556689454.db2.gz	BXNREIQYHKIHTL-PIIWDFAUSA-N	0	0	440.518	6.136	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2	ZINC000003461821	556697762	/nfs/dbraw/zinc/69/77/62/556697762.db2.gz	LKOLIWPFEGPTIO-OAHLLOKOSA-N	0	0	433.356	5.144	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@]1(O)CCCc2ccccc21	ZINC000013591453	556700459	/nfs/dbraw/zinc/70/04/59/556700459.db2.gz	NEWODRLGXDGQST-LJAQVGFWSA-N	0	0	448.591	6.603	50	30		IKEARN
N#Cc1c(-c2ccc(Br)cc2)cc(-c2ccccc2)nc1OCc1ccccc1	ZINC000013590162	556700463	/nfs/dbraw/zinc/70/04/63/556700463.db2.gz	IJACACDSRXLBHV-UHFFFAOYSA-N	0	0	441.328	6.629	50	30		IKEARN
C[C@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@H](C)O1	ZINC000033027114	556704416	/nfs/dbraw/zinc/70/44/16/556704416.db2.gz	BLWHKQOPCPKCEV-IRXDYDNUSA-N	0	0	429.476	5.152	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1	ZINC000013728490	556721096	/nfs/dbraw/zinc/72/10/96/556721096.db2.gz	UDMXQIUVWKMNJZ-JOCHJYFZSA-N	0	0	444.874	5.260	50	30		IKEARN
Cc1ccc(/C=C\C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1	ZINC000033908140	556723381	/nfs/dbraw/zinc/72/33/81/556723381.db2.gz	DYNPFCBZGUZQRS-QBFSEMIESA-N	0	0	432.317	6.770	50	30		IKEARN
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000019314977	556735573	/nfs/dbraw/zinc/73/55/73/556735573.db2.gz	WJFHFMWEDHXODR-DEOSSOPVSA-N	0	0	431.532	5.187	50	30		IKEARN
CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@H](C)CC#N)c2c1C	ZINC000078968158	556737306	/nfs/dbraw/zinc/73/73/06/556737306.db2.gz	CBAHUCMWDROIAQ-CQSZACIVSA-N	0	0	440.594	5.207	50	30		IKEARN
Cc1cccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1	ZINC000013476261	556748432	/nfs/dbraw/zinc/74/84/32/556748432.db2.gz	JYYFHGHXLBILGC-GOSISDBHSA-N	0	0	442.799	5.345	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc(-c3cccs3)c3c(c2C#N)CCCC3)cc1	ZINC000001026147	556762196	/nfs/dbraw/zinc/76/21/96/556762196.db2.gz	ATGMTQMFYYOLPH-UHFFFAOYSA-N	0	0	435.574	5.300	50	30		IKEARN
Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@@H]3C2(C#N)C#N)c(C)c1	ZINC000001028035	556762416	/nfs/dbraw/zinc/76/24/16/556762416.db2.gz	XMKOJNYQAUTPQU-CYXNTTPDSA-N	0	0	445.526	5.033	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)CC1	ZINC000061997283	556763477	/nfs/dbraw/zinc/76/34/77/556763477.db2.gz	NHLUTULFPAJQJG-UHFFFAOYSA-N	0	0	426.992	5.990	50	30		IKEARN
CCCCCCCCCCS(=O)(=O)Nc1ccc(OC(=O)CCCCCCC)cc1	ZINC000033354450	556775489	/nfs/dbraw/zinc/77/54/89/556775489.db2.gz	XBEMKOFMQSJGCM-UHFFFAOYSA-N	0	0	439.662	6.835	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535672	556793950	/nfs/dbraw/zinc/79/39/50/556793950.db2.gz	ADYCWNXEYXARFO-QHCPKHFHSA-N	0	0	435.951	5.687	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1	ZINC000019535936	556794045	/nfs/dbraw/zinc/79/40/45/556794045.db2.gz	WEUPWBNKPHPDRU-OAQYLSRUSA-N	0	0	444.369	5.293	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1	ZINC000002625389	556800794	/nfs/dbraw/zinc/80/07/94/556800794.db2.gz	JHQXBCQJBZPQPA-UHFFFAOYSA-N	0	0	440.572	5.453	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1	ZINC000002663216	556803118	/nfs/dbraw/zinc/80/31/18/556803118.db2.gz	FNGZKECVTJAOCU-MRXNPFEDSA-N	0	0	446.528	5.332	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)sc1C(=O)N(C)C	ZINC000002761417	556803478	/nfs/dbraw/zinc/80/34/78/556803478.db2.gz	MGZREHMJUVVYGD-UHFFFAOYSA-N	0	0	440.528	5.098	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCC2	ZINC000003294417	556810642	/nfs/dbraw/zinc/81/06/42/556810642.db2.gz	QAZMQUWXWZGGMP-UHFFFAOYSA-N	0	0	431.892	5.297	50	30		IKEARN
COc1ccc(-n2c(S[C@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000003357464	556811473	/nfs/dbraw/zinc/81/14/73/556811473.db2.gz	SWXNINOWKRVFCJ-CQSZACIVSA-N	0	0	426.973	5.898	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004635548	556811797	/nfs/dbraw/zinc/81/17/97/556811797.db2.gz	YODKLHFPZCJAOA-VWLOTQADSA-N	0	0	447.554	5.279	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1cccc(C(F)(F)F)c1	ZINC000003346577	556813361	/nfs/dbraw/zinc/81/33/61/556813361.db2.gz	YAIJBDAMUKBCGT-UHFFFAOYSA-N	0	0	433.499	5.917	50	30		IKEARN
Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c32)CC[C@@H](C)C4)cc1	ZINC000003398421	556814329	/nfs/dbraw/zinc/81/43/29/556814329.db2.gz	PEIJSPBQJHRPPT-MRXNPFEDSA-N	0	0	436.606	5.164	50	30		IKEARN
COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC	ZINC000096448091	556814405	/nfs/dbraw/zinc/81/44/05/556814405.db2.gz	ODWKEQAUZHUXKA-RDDXSWEBSA-N	0	0	425.569	5.510	50	30	biogenic	IKEARN
N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1\NC(=O)N(c2ccccc2)C1=O	ZINC000096473356	556816386	/nfs/dbraw/zinc/81/63/86/556816386.db2.gz	MIPXVWUCLJUECP-XYGWBWBKSA-N	0	0	445.478	5.388	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)cc1)c1ccc(Br)cc1	ZINC000003116391	556827087	/nfs/dbraw/zinc/82/70/87/556827087.db2.gz	YSTKVUHKDOMVKQ-WYMPLXKRSA-N	0	0	449.131	6.726	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005603783	556829388	/nfs/dbraw/zinc/82/93/88/556829388.db2.gz	QBJPUYTWPQBQQS-DEOSSOPVSA-N	0	0	427.548	5.780	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000019630402	556832295	/nfs/dbraw/zinc/83/22/95/556832295.db2.gz	VSKLXCJSVVBUIF-NPMXOYFQSA-N	0	0	439.602	5.657	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1	ZINC000019635436	556834892	/nfs/dbraw/zinc/83/48/92/556834892.db2.gz	GJXNZLWSOVVDNT-QRQCRPRQSA-N	0	0	442.342	5.528	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019643804	556838540	/nfs/dbraw/zinc/83/85/40/556838540.db2.gz	MABDESRNHXMABY-VWLOTQADSA-N	0	0	445.559	5.085	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019646932	556840709	/nfs/dbraw/zinc/84/07/09/556840709.db2.gz	JSUGGEPXMUWXJH-XCLFUZPHSA-N	0	0	448.371	5.590	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019646923	556840754	/nfs/dbraw/zinc/84/07/54/556840754.db2.gz	JSUGGEPXMUWXJH-RNODOKPDSA-N	0	0	448.371	5.590	50	30		IKEARN
CCN(CC)c1ccc(/C=C(\C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1	ZINC000096839133	556846981	/nfs/dbraw/zinc/84/69/81/556846981.db2.gz	JGPJIQMERUPFDL-LTGZKZEYSA-N	0	0	428.557	6.272	50	30		IKEARN
CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C[C@@H]1CCCO1)c2=O	ZINC000097952416	556848813	/nfs/dbraw/zinc/84/88/13/556848813.db2.gz	IHBYIUAHUVFXNS-IBGZPJMESA-N	0	0	447.583	5.142	50	30		IKEARN
CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C[C@H]1CCCO1)c2=O	ZINC000097952417	556848819	/nfs/dbraw/zinc/84/88/19/556848819.db2.gz	IHBYIUAHUVFXNS-LJQANCHMSA-N	0	0	447.583	5.142	50	30		IKEARN
CCCCCCCCCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21	ZINC000097951873	556848832	/nfs/dbraw/zinc/84/88/32/556848832.db2.gz	BHCBMWMEZGZUAQ-UHFFFAOYSA-N	0	0	434.668	8.444	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000097953074	556849914	/nfs/dbraw/zinc/84/99/14/556849914.db2.gz	HUXCMQDAFPGDBM-UHFFFAOYSA-N	0	0	434.515	5.481	50	30		IKEARN
CCCCCCCCCSc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4	ZINC000097952665	556849998	/nfs/dbraw/zinc/84/99/98/556849998.db2.gz	WDPUBMCNEZYIGK-UHFFFAOYSA-N	0	0	443.682	7.242	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1	ZINC000097953962	556850170	/nfs/dbraw/zinc/85/01/70/556850170.db2.gz	JFSCPOMFUMYERF-XMMPIXPASA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCn1c(N)c(C(=O)NCCCOC(C)C)c2nc3ccccc3nc21	ZINC000097954416	556850547	/nfs/dbraw/zinc/85/05/47/556850547.db2.gz	YQNNQZJYLMTWRK-UHFFFAOYSA-N	0	0	439.604	5.072	50	30		IKEARN
CCCCCCCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21	ZINC000097954494	556850575	/nfs/dbraw/zinc/85/05/75/556850575.db2.gz	BRUNWPBJVIOXGO-UHFFFAOYSA-N	0	0	436.581	5.278	50	30		IKEARN
CCOc1ccc(Sc2ccc(/C=C3/C(=O)c4ccc5ccccc5c4N3C)cc2)cc1	ZINC000033155132	556878749	/nfs/dbraw/zinc/87/87/49/556878749.db2.gz	NYBVANKNKCBURS-ITYLOYPMSA-N	0	0	437.564	7.063	50	30		IKEARN
CCc1ccc(C(=CCc2ccc(F)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033154765	556878788	/nfs/dbraw/zinc/87/87/88/556878788.db2.gz	IKZXOSWMKYTPPV-DWSXAKPXSA-N	0	0	434.427	5.734	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2	ZINC000004713236	556890274	/nfs/dbraw/zinc/89/02/74/556890274.db2.gz	VZZLAMBMWPLSFB-OAQYLSRUSA-N	0	0	426.509	5.024	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F	ZINC000019761922	556906012	/nfs/dbraw/zinc/90/60/12/556906012.db2.gz	VNVRIFOIKKKMRY-OYHNWAKOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F	ZINC000019761929	556906015	/nfs/dbraw/zinc/90/60/15/556906015.db2.gz	VNVRIFOIKKKMRY-QRQCRPRQSA-N	0	0	425.887	5.014	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000019762481	556906943	/nfs/dbraw/zinc/90/69/43/556906943.db2.gz	ZWMDYDWSLZDAAN-NLFFAJNJSA-N	0	0	431.532	5.008	50	30		IKEARN
CSc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000019770763	556912884	/nfs/dbraw/zinc/91/28/84/556912884.db2.gz	TXKMGHFTPVRGSX-DEOSSOPVSA-N	0	0	433.573	5.162	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(Br)c1	ZINC000019804932	556918013	/nfs/dbraw/zinc/91/80/13/556918013.db2.gz	NTAHEAFMDPYKQC-FPOVZHCZSA-N	0	0	434.333	5.491	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1	ZINC000019827928	556926209	/nfs/dbraw/zinc/92/62/09/556926209.db2.gz	PKAPHACYLSPAAN-YADARESESA-N	0	0	435.951	5.573	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019830813	556926296	/nfs/dbraw/zinc/92/62/96/556926296.db2.gz	JHTBJUSVJWSFGY-CPJSRVTESA-N	0	0	433.523	5.387	50	30		IKEARN
CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC	ZINC000019840484	556929483	/nfs/dbraw/zinc/92/94/83/556929483.db2.gz	HCLIOQUNAYUTAE-UHFFFAOYSA-N	0	0	429.944	5.229	50	30		IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848645	556930441	/nfs/dbraw/zinc/93/04/41/556930441.db2.gz	CUCLAAWMNHGELU-XMMPIXPASA-N	0	0	449.522	5.052	50	30		IKEARN
Brc1ccccc1/C=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000019848786	556930459	/nfs/dbraw/zinc/93/04/59/556930459.db2.gz	LBIXGYYBZJHRRP-LGUFXXKBSA-N	0	0	434.381	5.190	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000019855107	556931167	/nfs/dbraw/zinc/93/11/67/556931167.db2.gz	OIKKHQBJFZQQSO-QFIPXVFZSA-N	0	0	442.342	5.705	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1	ZINC000020028375	556967543	/nfs/dbraw/zinc/96/75/43/556967543.db2.gz	IKAYYSYGCHKPAB-QBOLOTAASA-N	0	0	443.716	6.987	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1	ZINC000013943181	556974495	/nfs/dbraw/zinc/97/44/95/556974495.db2.gz	GOLHMTYNORBMKP-AWEZNQCLSA-N	0	0	429.586	5.427	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1	ZINC000013940700	556974553	/nfs/dbraw/zinc/97/45/53/556974553.db2.gz	HIJKFEJSXILTTE-AWEZNQCLSA-N	0	0	431.399	6.176	50	30		IKEARN
Clc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)cc1Cl	ZINC000020073654	556978702	/nfs/dbraw/zinc/97/87/02/556978702.db2.gz	FIPUELFNGBRFQC-DNTJNYDQSA-N	0	0	427.154	6.325	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1	ZINC000033268242	556982649	/nfs/dbraw/zinc/98/26/49/556982649.db2.gz	NXUQUBQNTFOZOO-QHCPKHFHSA-N	0	0	444.510	5.241	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)cc1	ZINC000097959768	556984903	/nfs/dbraw/zinc/98/49/03/556984903.db2.gz	FGXPVGUXUBIJTC-MOHJPFBDSA-N	0	0	436.621	6.934	50	30		IKEARN
Cc1cc2sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)nc2cc1Cl	ZINC000097983729	556999283	/nfs/dbraw/zinc/99/92/83/556999283.db2.gz	JLRQHYUDMRGOSN-UHFFFAOYSA-N	0	0	444.706	5.665	50	30		IKEARN
CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1CCCCC	ZINC000097985319	556999646	/nfs/dbraw/zinc/99/96/46/556999646.db2.gz	GJQTYMXZYRFNJT-UHFFFAOYSA-N	0	0	440.760	10.031	50	30		IKEARN
COc1ccc(OC)c(CNC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1	ZINC000020228914	557001318	/nfs/dbraw/zinc/00/13/18/557001318.db2.gz	WQYSNAYMDLKYEU-UHFFFAOYSA-N	0	0	439.433	5.577	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\C=C\c3ccccc3)C(=O)O2)cc1	ZINC000097997158	557004269	/nfs/dbraw/zinc/00/42/69/557004269.db2.gz	QUQXTDLJMPDNBJ-ALXOLRSRSA-N	0	0	431.576	7.107	50	30		IKEARN
CCCCCCCCOc1ccc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)cc1	ZINC000097997937	557004277	/nfs/dbraw/zinc/00/42/77/557004277.db2.gz	IYVGOXPHYUNJJL-XLNRJJMWSA-N	0	0	426.944	6.336	50	30		IKEARN
CCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1	ZINC000097999362	557005246	/nfs/dbraw/zinc/00/52/46/557005246.db2.gz	APAMUKPQYHNZEK-NRFANRHFSA-N	0	0	433.596	6.316	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc(C(=O)OC2CCC(C(C)(C)C)CC2)cc1	ZINC000098001383	557012301	/nfs/dbraw/zinc/01/23/01/557012301.db2.gz	SWWQJGLLNQHQEO-UHFFFAOYSA-N	0	0	429.645	7.528	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)Nc1cc(F)c(F)cc1Cl	ZINC000098001308	557012312	/nfs/dbraw/zinc/01/23/12/557012312.db2.gz	OYBOSSHIFVDVSQ-UHFFFAOYSA-N	0	0	431.011	8.221	50	30		IKEARN
CS/C(=N\S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCCC1	ZINC000020414163	557014449	/nfs/dbraw/zinc/01/44/49/557014449.db2.gz	SYADGPTZTRATPH-UCQKPKSFSA-N	0	0	448.454	5.008	50	30		IKEARN
C=CCn1c(=O)c2sccc2nc1SCCCC(=O)c1ccc(Br)cc1	ZINC000011269125	557015301	/nfs/dbraw/zinc/01/53/01/557015301.db2.gz	LGLUPJKUOOPUSN-UHFFFAOYSA-N	0	0	449.395	5.162	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c(C)c1	ZINC000032943216	557017938	/nfs/dbraw/zinc/01/79/38/557017938.db2.gz	WMXAKESUZMHQBW-UHFFFAOYSA-N	0	0	442.538	5.673	50	30		IKEARN
COc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943271	557018111	/nfs/dbraw/zinc/01/81/11/557018111.db2.gz	WEMLMSLZFBRODE-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943351	557018217	/nfs/dbraw/zinc/01/82/17/557018217.db2.gz	RSHCQPJNPKEQOS-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1	ZINC000032943468	557019789	/nfs/dbraw/zinc/01/97/89/557019789.db2.gz	XNTXMCHBNFWUAO-UHFFFAOYSA-N	0	0	444.510	5.146	50	30		IKEARN
Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000043220790	557023353	/nfs/dbraw/zinc/02/33/53/557023353.db2.gz	BKVCVSUDKCXNAQ-AWEZNQCLSA-N	0	0	437.590	5.649	50	30		IKEARN
N#Cc1c(NC(=O)c2cccc(C(F)(F)F)c2)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153762	557028750	/nfs/dbraw/zinc/02/87/50/557028750.db2.gz	MQOKWMQUHBJIHM-UHFFFAOYSA-N	0	0	441.478	5.449	50	30		IKEARN
CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(C)c3)nc(C)c2CC)CC1	ZINC000098021465	557029107	/nfs/dbraw/zinc/02/91/07/557029107.db2.gz	YBUGDFFUKKZGJM-UHFFFAOYSA-N	0	0	436.644	5.722	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1	ZINC000098021446	557029187	/nfs/dbraw/zinc/02/91/87/557029187.db2.gz	YSZBDCFPYRFCPA-SANMLTNESA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2OCC)c1	ZINC000098021393	557029216	/nfs/dbraw/zinc/02/92/16/557029216.db2.gz	RDTAJBYGPLLMLO-RUZDIDTESA-N	0	0	440.609	6.163	50	30		IKEARN
Cc1ccc(C)c(N2CCN(/C(=N\c3cc(C)cc(C)c3)NC(=O)c3ccccc3)CC2)c1	ZINC000032946327	557031233	/nfs/dbraw/zinc/03/12/33/557031233.db2.gz	ZAGPJLJEKMQVNP-UHFFFAOYSA-N	0	0	440.591	5.160	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccccn2)cc1C	ZINC000046125493	557037796	/nfs/dbraw/zinc/03/77/96/557037796.db2.gz	BPDRQDGABIQWNB-UHFFFAOYSA-N	0	0	426.442	5.115	50	30		IKEARN
CC1=CN2[C@H](C(=O)c3ccccc3)[C@@H](c3cccc(F)c3)C(C#N)(C#N)[C@@H]2c2ccccc21	ZINC000017206507	557038517	/nfs/dbraw/zinc/03/85/17/557038517.db2.gz	YKULJWZFIDEUIU-OBDYRVMHSA-N	0	0	433.486	5.626	50	30		IKEARN
CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@@]2(C(C)(C)C)C1=O	ZINC000017208218	557038860	/nfs/dbraw/zinc/03/88/60/557038860.db2.gz	AVACOHUQWPOENZ-QUSLYVOKSA-N	0	0	440.591	6.302	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000017250732	557042462	/nfs/dbraw/zinc/04/24/62/557042462.db2.gz	YVCXIROPPVUFHA-YKMWHWIESA-N	0	0	441.556	6.467	50	30		IKEARN
COc1ccc(Nc2c(Cc3ccc(C)cc3)c(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000017246028	557044665	/nfs/dbraw/zinc/04/46/65/557044665.db2.gz	FEWQNNZTKKAKEP-UHFFFAOYSA-N	0	0	432.527	6.319	50	30		IKEARN
CCCCCCCCCCCCOc1ccc(C#Cc2ccc(OCCCO)cc2)cc1	ZINC000098045095	557046099	/nfs/dbraw/zinc/04/60/99/557046099.db2.gz	CXFOSYGSIHKVSK-UHFFFAOYSA-N	0	0	436.636	7.147	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2-c2ccccc2S1(=O)=O	ZINC000033271945	557050389	/nfs/dbraw/zinc/05/03/89/557050389.db2.gz	LZWDCRXSTNGGJM-UHFFFAOYSA-N	0	0	448.544	5.088	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1	ZINC000048253069	557052184	/nfs/dbraw/zinc/05/21/84/557052184.db2.gz	XVVLFOIJLFROIC-XVNBXDOJSA-N	0	0	446.305	6.125	50	30		IKEARN
N#Cc1c(N)nc(SCC(=O)c2ccc(Cl)cc2)c(C#N)c1-c1ccc(Cl)cc1	ZINC000033286668	557063857	/nfs/dbraw/zinc/06/38/57/557063857.db2.gz	CTVBWXUPIDVNGU-UHFFFAOYSA-N	0	0	439.327	5.356	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)n1	ZINC000008413269	557092289	/nfs/dbraw/zinc/09/22/89/557092289.db2.gz	YAMQNFIPIVPJBW-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000008413551	557092370	/nfs/dbraw/zinc/09/23/70/557092370.db2.gz	WTIZSDUJURQMSX-DEOSSOPVSA-N	0	0	445.563	5.031	50	30		IKEARN
CCC(C)(C)C1C/C(=C\c2ccc(N(C)C)cc2)C(=O)/C(=C/c2ccc(N(C)C)cc2)C1	ZINC000004762438	557092651	/nfs/dbraw/zinc/09/26/51/557092651.db2.gz	ULLIZFRJXFIINU-GJHDBBOXSA-N	0	0	430.636	6.701	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccccc3Cl)o2)oc1N1CCc2ccccc2C1	ZINC000033324479	557106419	/nfs/dbraw/zinc/10/64/19/557106419.db2.gz	RCWYTHRWCAFDQY-UHFFFAOYSA-N	0	0	431.879	5.601	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC	ZINC000033324900	557106986	/nfs/dbraw/zinc/10/69/86/557106986.db2.gz	BRUBXGKOVGUKFP-IQMFZBJNSA-N	0	0	434.467	5.098	50	30		IKEARN
COc1cc(/C=C2/CC/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C	ZINC000033334028	557117203	/nfs/dbraw/zinc/11/72/03/557117203.db2.gz	BPFXIWBXTKYKNV-JZTLMNBPSA-N	0	0	436.548	6.108	50	30		IKEARN
CC/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC	ZINC000033347735	557123036	/nfs/dbraw/zinc/12/30/36/557123036.db2.gz	FXLCHAHQBTVRRJ-SXZIKPQKSA-N	0	0	444.984	5.630	50	30		IKEARN
N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1	ZINC000606422432	557125053	/nfs/dbraw/zinc/12/50/53/557125053.db2.gz	FIAPKYDADLZZIE-PZVJUEDKSA-N	0	0	432.955	6.009	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC	ZINC000000652732	557129436	/nfs/dbraw/zinc/12/94/36/557129436.db2.gz	BNXKWKMOTCPNTP-MHZLTWQESA-N	0	0	427.544	6.557	50	30		IKEARN
CCCCCCCCOc1ccc(NC2=C(N3CCCC3)C(=O)c3ccccc3C2=O)cc1	ZINC000033355268	557130766	/nfs/dbraw/zinc/13/07/66/557130766.db2.gz	AFJNVAOZMDDRMU-UHFFFAOYSA-N	0	0	446.591	6.224	50	30		IKEARN
CC[C@@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1	ZINC000000663961	557131447	/nfs/dbraw/zinc/13/14/47/557131447.db2.gz	MHNJJFZWMXVMNH-CYBMUJFWSA-N	0	0	449.498	5.226	50	30		IKEARN
CC[C@H]1CCc2nc(SCC(=O)Nc3cccc(OC)c3)c(C#N)c(C(F)(F)F)c2C1	ZINC000000663958	557131459	/nfs/dbraw/zinc/13/14/59/557131459.db2.gz	MHNJJFZWMXVMNH-ZDUSSCGKSA-N	0	0	449.498	5.226	50	30		IKEARN
CCc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c(C#N)c(C(F)(F)F)c1C	ZINC000000663917	557131566	/nfs/dbraw/zinc/13/15/66/557131566.db2.gz	NFTMQSDGWJQSBZ-UHFFFAOYSA-N	0	0	448.297	5.881	50	30		IKEARN
C=CCn1c(CNc2cccc3ccccc32)nnc1SCC(=O)c1ccc(OC)cc1	ZINC000000670568	557132862	/nfs/dbraw/zinc/13/28/62/557132862.db2.gz	OGDMEIWKVLRETI-UHFFFAOYSA-N	0	0	444.560	5.213	50	30		IKEARN
O=C(NC1CCCCC1)c1c(/N=C/c2cc([N+](=O)[O-])ccc2[O-])sc2c1CCCC2	ZINC000003766348	557138623	/nfs/dbraw/zinc/13/86/23/557138623.db2.gz	JUEDOQUYRKQPSB-YDZHTSKRSA-N	0	0	427.526	5.054	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)ccc3o2)cc1	ZINC000003144980	557144065	/nfs/dbraw/zinc/14/40/65/557144065.db2.gz	XOMLDDQMPKXUBC-BLZGDTNESA-N	0	0	425.488	7.116	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O	ZINC000000716884	557148144	/nfs/dbraw/zinc/14/81/44/557148144.db2.gz	OQSCTCYGPBIPDU-VWLOTQADSA-N	0	0	429.516	5.872	50	30		IKEARN
O=C1/C(=N\c2cccc(C(F)(F)F)c2)c2ccccc2N1CN1CCc2ccccc2C1	ZINC000000716675	557148200	/nfs/dbraw/zinc/14/82/00/557148200.db2.gz	WIKKNMOJGPBWRW-FAJYDZGRSA-N	0	0	435.449	5.189	50	30		IKEARN
C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1	ZINC000011443900	557148446	/nfs/dbraw/zinc/14/84/46/557148446.db2.gz	QWFFKKSBMLZNHD-CYBMUJFWSA-N	0	0	430.888	5.186	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1cc(Cl)cc2c1OCOC2	ZINC000000718333	557148866	/nfs/dbraw/zinc/14/88/66/557148866.db2.gz	ABUMMQZPAAXTEC-DEOSSOPVSA-N	0	0	445.946	6.560	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000043896065	557149119	/nfs/dbraw/zinc/14/91/19/557149119.db2.gz	VMZONVWPTOGZEA-GVAUOCQISA-N	0	0	435.914	5.624	50	30		IKEARN
COc1ccc(Br)cc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2	ZINC000016425622	557151494	/nfs/dbraw/zinc/15/14/94/557151494.db2.gz	HWWCDOGJKRIFQE-JOCHJYFZSA-N	0	0	435.321	5.570	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009861204	557152515	/nfs/dbraw/zinc/15/25/15/557152515.db2.gz	VMSZIZZFUSRMGY-DEOSSOPVSA-N	0	0	445.563	5.031	50	30		IKEARN
C/N=C1\S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C	ZINC000024692044	557158773	/nfs/dbraw/zinc/15/87/73/557158773.db2.gz	BFYQUYGGYFENII-PNTLFUMMSA-N	0	0	447.604	5.684	50	30		IKEARN
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095719242	557160272	/nfs/dbraw/zinc/16/02/72/557160272.db2.gz	NKAMGQZDVMQEJL-UHFFFAOYSA-N	0	0	446.100	6.182	50	30		IKEARN
CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(=O)CC#N)cc2)c(C(C)(C)CC)c1	ZINC000003154747	557166675	/nfs/dbraw/zinc/16/66/75/557166675.db2.gz	IRTNSZMWECNFTP-UHFFFAOYSA-N	0	0	434.580	6.176	50	30		IKEARN
COC(=O)CSc1nc(-c2ccc(Br)cc2)cc(-c2cccs2)c1C#N	ZINC000000754735	557168993	/nfs/dbraw/zinc/16/89/93/557168993.db2.gz	LLKONRXDLZXFHD-UHFFFAOYSA-N	0	0	445.363	5.376	50	30		IKEARN
C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)c1cn(C)c2ccccc12	ZINC000009095956	557181820	/nfs/dbraw/zinc/18/18/20/557181820.db2.gz	FGLPTMSJCPRGGP-UHFFFAOYSA-N	0	0	446.576	5.127	50	30		IKEARN
C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009306097	557186383	/nfs/dbraw/zinc/18/63/83/557186383.db2.gz	ULIVRNIYKZZGTF-UHFFFAOYSA-N	0	0	430.961	5.072	50	30		IKEARN
CC(C)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1	ZINC000100822168	557188580	/nfs/dbraw/zinc/18/85/80/557188580.db2.gz	XBEZSWZEZQMKHC-VYIQYICTSA-N	0	0	430.529	5.180	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1	ZINC000100833339	557191033	/nfs/dbraw/zinc/19/10/33/557191033.db2.gz	IKKFUOGNXFMIHN-NKFKGCMQSA-N	0	0	439.646	7.140	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1	ZINC000100851705	557191729	/nfs/dbraw/zinc/19/17/29/557191729.db2.gz	KOMWUKLLSHXKFC-JWGURIENSA-N	0	0	443.609	6.971	50	30		IKEARN
CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@H](C(C)C)N21	ZINC000100925077	557202384	/nfs/dbraw/zinc/20/23/84/557202384.db2.gz	ZZYUFMXUSJRQFB-FQEVSTJZSA-N	0	0	431.602	5.412	50	30		IKEARN
CCCCCCCCCCCCS[C@@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O	ZINC000100932955	557203421	/nfs/dbraw/zinc/20/34/21/557203421.db2.gz	NJFWYAAGQUJNNQ-HXUWFJFHSA-N	0	0	444.468	7.279	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000792611	557203499	/nfs/dbraw/zinc/20/34/99/557203499.db2.gz	TZQLJEPCNXUWFA-HFZDXXHNSA-N	0	0	442.559	5.319	50	30		IKEARN
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1OC(C)C	ZINC000000795935	557204387	/nfs/dbraw/zinc/20/43/87/557204387.db2.gz	ZFOFAAIUTXMQGR-UHFFFAOYSA-N	0	0	429.944	5.227	50	30		IKEARN
CCCCCCCCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S	ZINC000101000003	557212222	/nfs/dbraw/zinc/21/22/22/557212222.db2.gz	HMIYTFZPSNTEIO-VZCXRCSSSA-N	0	0	447.666	6.352	50	30		IKEARN
Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)cc1	ZINC000025504483	557212406	/nfs/dbraw/zinc/21/24/06/557212406.db2.gz	DGSFTVYWFLOFEW-JVWAILMASA-N	0	0	448.519	5.179	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc(Cl)cc4)c3c2C1	ZINC000025559740	557214356	/nfs/dbraw/zinc/21/43/56/557214356.db2.gz	AMFYFSVVIFQCJF-JZNDDVEWSA-N	0	0	427.017	6.722	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4Cl)c3c2C1	ZINC000025559721	557214429	/nfs/dbraw/zinc/21/44/29/557214429.db2.gz	LFXXQLWGGFPIDY-HHSJQWSCSA-N	0	0	447.435	6.985	50	30		IKEARN
O=C(C=C1NCCc2cc3c(cc21)OCO3)c1cc(-c2cccs2)nc2ccccc21	ZINC000101042173	557214969	/nfs/dbraw/zinc/21/49/69/557214969.db2.gz	GXSIVPKTADESPB-DEDYPNTBSA-N	0	0	426.497	5.062	50	30		IKEARN
Clc1ccc(-c2csc3ncnc(N=NCc4c(Cl)cccc4Cl)c23)cc1	ZINC000025580131	557215924	/nfs/dbraw/zinc/21/59/24/557215924.db2.gz	VBHLGSXYRJOECY-ZNLRHDTNSA-N	0	0	433.751	6.765	50	30		IKEARN
CC(C)CC(=O)N[C@@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl	ZINC000025580136	557215987	/nfs/dbraw/zinc/21/59/87/557215987.db2.gz	UYHXWYVNRQDRFM-BBMHEYIBSA-N	0	0	442.774	5.370	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(Cl)cc(Cl)c1OC	ZINC000100052421	557217559	/nfs/dbraw/zinc/21/75/59/557217559.db2.gz	CTLPRDBXNZAWOG-SFHVURJKSA-N	0	0	438.351	5.169	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccccc1	ZINC000100062088	557220398	/nfs/dbraw/zinc/22/03/98/557220398.db2.gz	NCUQQABARUJCAN-CFEZCKOSSA-N	0	0	426.541	6.056	50	30		IKEARN
Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)c1	ZINC000101069934	557223656	/nfs/dbraw/zinc/22/36/56/557223656.db2.gz	PYMUSMSFXJNWAN-JBCNATCCSA-N	0	0	448.316	5.384	50	30		IKEARN
CCN1C/C(=C\c2cc(Cl)ccc2Cl)C(=O)/C(=C/c2cc(Cl)ccc2Cl)C1	ZINC000025761901	557224756	/nfs/dbraw/zinc/22/47/56/557224756.db2.gz	FSGWPDVVSDLBFA-BGPOSVGRSA-N	0	0	441.185	6.672	50	30		IKEARN
CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1cc(OC)ccc1OC)C2	ZINC000097939933	557229901	/nfs/dbraw/zinc/22/99/01/557229901.db2.gz	HLSMWMDNSRJBQE-KRWDZBQOSA-N	0	0	427.541	5.380	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl	ZINC000097950708	557230647	/nfs/dbraw/zinc/23/06/47/557230647.db2.gz	ALBQGYWPKWMBCT-INIZCTEOSA-N	0	0	438.852	5.454	50	30		IKEARN
CCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-]	ZINC000097976941	557231272	/nfs/dbraw/zinc/23/12/72/557231272.db2.gz	SZHBFCKBGNYQNP-UHFFFAOYSA-O	0	0	440.777	8.750	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(OC)cc2)c1	ZINC000098021534	557232302	/nfs/dbraw/zinc/23/23/02/557232302.db2.gz	CLXMMDGPNTYLCG-RUZDIDTESA-N	0	0	440.609	6.163	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(OC)cc2)c1	ZINC000098021535	557232309	/nfs/dbraw/zinc/23/23/09/557232309.db2.gz	CLXMMDGPNTYLCG-VWLOTQADSA-N	0	0	440.609	6.163	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)n1	ZINC000018043502	557234366	/nfs/dbraw/zinc/23/43/66/557234366.db2.gz	PXSINBYKIFFTSF-FQEVSTJZSA-N	0	0	442.346	5.303	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000018107298	557237260	/nfs/dbraw/zinc/23/72/60/557237260.db2.gz	WODPAPKCXDYOQJ-XRHLQHRESA-N	0	0	444.531	6.354	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018107741	557237310	/nfs/dbraw/zinc/23/73/10/557237310.db2.gz	QZJRQBFNIKGYNQ-QFIPXVFZSA-N	0	0	425.370	6.288	50	30		IKEARN
Brc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1	ZINC000011991688	557237861	/nfs/dbraw/zinc/23/78/61/557237861.db2.gz	HIGOMBORCGEUHT-DJKKODMXSA-N	0	0	437.160	5.781	50	30		IKEARN
CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1	ZINC000100034327	557238343	/nfs/dbraw/zinc/23/83/43/557238343.db2.gz	CPMIXIKPSVXRPS-QHCPKHFHSA-N	0	0	439.596	5.392	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000100035592	557238347	/nfs/dbraw/zinc/23/83/47/557238347.db2.gz	BJKOPLOZQDQIOT-QQDRUZQMSA-N	0	0	440.568	5.975	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2F)cc1	ZINC000100035058	557238381	/nfs/dbraw/zinc/23/83/81/557238381.db2.gz	UGPNMLYSRWCZSO-UHFFFAOYSA-N	0	0	430.564	6.546	50	30		IKEARN
CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1	ZINC000100034331	557238389	/nfs/dbraw/zinc/23/83/89/557238389.db2.gz	CPMIXIKPSVXRPS-HSZRJFAPSA-N	0	0	439.596	5.392	50	30		IKEARN
CCCCCCCOc1ccc(CNc2cccc(OCCCc3ccccc3)c2)cc1	ZINC000100037660	557238563	/nfs/dbraw/zinc/23/85/63/557238563.db2.gz	POZAUMQCKDJDJO-UHFFFAOYSA-N	0	0	431.620	7.660	50	30		IKEARN
CCCCCCCOc1cccc(NCc2ccccc2OCCOc2ccccc2)c1	ZINC000100039074	557238571	/nfs/dbraw/zinc/23/85/71/557238571.db2.gz	OOZPCTJFCHVOQI-UHFFFAOYSA-N	0	0	433.592	7.106	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2ccc(OC)cc2)cc1	ZINC000100058912	557239119	/nfs/dbraw/zinc/23/91/19/557239119.db2.gz	KJGSPWJKVJURLX-NRFANRHFSA-N	0	0	426.601	7.097	50	30		IKEARN
CCCCCCCCCCCC[C@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O	ZINC000100071210	557239867	/nfs/dbraw/zinc/23/98/67/557239867.db2.gz	VXTRPEFUPWORNH-QFIPXVFZSA-N	0	0	448.692	6.241	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000100127283	557241636	/nfs/dbraw/zinc/24/16/36/557241636.db2.gz	NFVGQWMKSVJSOC-UZUQRXQVSA-N	0	0	437.561	5.015	50	30		IKEARN
CCN(CC)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1	ZINC000018173442	557245660	/nfs/dbraw/zinc/24/56/60/557245660.db2.gz	UOPLVZLFMIOCSJ-WPWMEQJKSA-N	0	0	447.604	6.182	50	30		IKEARN
CCCCCCCCCCCCCCCCCCc1ccc2cc(/C(C)=N/O)ccc2c1	ZINC000100166950	557245767	/nfs/dbraw/zinc/24/57/67/557245767.db2.gz	NWPNYXRNIAURSB-GKPLWNPISA-N	0	0	437.712	9.842	50	30		IKEARN
N#Cc1c(/N=C/c2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1	ZINC000018182569	557246681	/nfs/dbraw/zinc/24/66/81/557246681.db2.gz	ISOPHEIAMRARBG-RWPZCVJISA-N	0	0	433.363	8.011	50	30		IKEARN
COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000018197551	557247339	/nfs/dbraw/zinc/24/73/39/557247339.db2.gz	MQOONJYZPNMPEZ-CPJLOUKISA-N	0	0	447.556	5.732	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000018195191	557247677	/nfs/dbraw/zinc/24/76/77/557247677.db2.gz	XMGNDLKGRYGTTB-BZQUYTCOSA-N	0	0	440.524	5.834	50	30		IKEARN
Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1	ZINC000018200822	557249469	/nfs/dbraw/zinc/24/94/69/557249469.db2.gz	DWXRYRSWBFAUSL-NYHFZMIOSA-N	0	0	443.528	5.087	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=C1[C@@H](c2cccs2)C(c2ccccc2)=NN1c1ccccc1	ZINC000100227587	557249504	/nfs/dbraw/zinc/24/95/04/557249504.db2.gz	WMKKIFTVEITJDE-QHCPKHFHSA-N	0	0	446.531	6.090	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000018197986	557250020	/nfs/dbraw/zinc/25/00/20/557250020.db2.gz	URQJYBWTKMYXPV-XDHUDOTRSA-N	0	0	440.528	5.548	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000018197982	557250065	/nfs/dbraw/zinc/25/00/65/557250065.db2.gz	URQJYBWTKMYXPV-BXKMTCNYSA-N	0	0	440.528	5.548	50	30		IKEARN
CC(C)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1	ZINC000018198799	557250813	/nfs/dbraw/zinc/25/08/13/557250813.db2.gz	XWZTXNDNNNHSMY-JOCHJYFZSA-N	0	0	431.565	5.111	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@H]3c2ccccc2Cl)cc1OC	ZINC000018199317	557251167	/nfs/dbraw/zinc/25/11/67/557251167.db2.gz	FGWIEEWJNLXGFK-NPMXOYFQSA-N	0	0	449.938	5.347	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C\c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000027019119	557254556	/nfs/dbraw/zinc/25/45/56/557254556.db2.gz	DZDRFHBVBBHMHP-PTGBLXJZSA-N	0	0	426.516	6.106	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C	ZINC000100286490	557256586	/nfs/dbraw/zinc/25/65/86/557256586.db2.gz	BAQGGTWHWFIMHJ-YCJCGMCGSA-N	0	0	428.557	5.676	50	30		IKEARN
COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12	ZINC000100349413	557258377	/nfs/dbraw/zinc/25/83/77/557258377.db2.gz	OORKKSKEWRJWDI-DEOSSOPVSA-N	0	0	448.559	5.708	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000100418550	557260128	/nfs/dbraw/zinc/26/01/28/557260128.db2.gz	OJVLJJZJOORUKG-LJQANCHMSA-N	0	0	434.879	5.186	50	30		IKEARN
O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N\Cc2ccccc2)N1Cc1ccccc1	ZINC000100437170	557261437	/nfs/dbraw/zinc/26/14/37/557261437.db2.gz	GPOYDCYYMULJQP-MKRFAJQFSA-N	0	0	428.513	5.088	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1cccs1	ZINC000100490958	557262327	/nfs/dbraw/zinc/26/23/27/557262327.db2.gz	HVGXDJIYCGJBDN-LWDYBMGMSA-N	0	0	448.547	5.785	50	30		IKEARN
Brc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)cc1	ZINC000100511651	557263306	/nfs/dbraw/zinc/26/33/06/557263306.db2.gz	BPSQKYICWHFBQG-CVKSISIWSA-N	0	0	443.300	7.268	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1	ZINC000100529861	557263696	/nfs/dbraw/zinc/26/36/96/557263696.db2.gz	CFFBXGRDDPXUES-AWNHJDIYSA-N	0	0	436.389	5.987	50	30		IKEARN
COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1	ZINC000027533681	557264390	/nfs/dbraw/zinc/26/43/90/557264390.db2.gz	ULXRMSDTWKSGHD-LZYBPNLTSA-N	0	0	442.846	5.268	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000027547481	557265016	/nfs/dbraw/zinc/26/50/16/557265016.db2.gz	YGEOQAWOJJVWSR-NRFANRHFSA-N	0	0	444.428	5.451	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000027547486	557265029	/nfs/dbraw/zinc/26/50/29/557265029.db2.gz	IBUCDDIHJKAJBX-NRFANRHFSA-N	0	0	444.428	5.451	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(Br)cc3)o2)CC1	ZINC000027562431	557265557	/nfs/dbraw/zinc/26/55/57/557265557.db2.gz	YYVGHWGILIRYPF-ZVHZXABRSA-N	0	0	429.362	6.219	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1	ZINC000101285106	557267677	/nfs/dbraw/zinc/26/76/77/557267677.db2.gz	NCCJNVWWEFQHKA-QHCPKHFHSA-N	0	0	437.971	6.492	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F	ZINC000101286270	557267822	/nfs/dbraw/zinc/26/78/22/557267822.db2.gz	GULLFLAQKKWZIN-DEOSSOPVSA-N	0	0	435.543	6.368	50	30		IKEARN
CCCCCCCCCCCCSC[C@@H](O)Cn1c2ccccc2c2ccccc21	ZINC000100659887	557268810	/nfs/dbraw/zinc/26/88/10/557268810.db2.gz	LCOXIBFUFALKBG-QHCPKHFHSA-N	0	0	425.682	7.810	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000000823851	557269118	/nfs/dbraw/zinc/26/91/18/557269118.db2.gz	NUARTGASMSAXFJ-ZVHZXABRSA-N	0	0	436.309	5.258	50	30		IKEARN
C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000100685927	557269334	/nfs/dbraw/zinc/26/93/34/557269334.db2.gz	GTMJEAVXRNJUAA-NQIIRXRSSA-N	0	0	429.383	5.193	50	30		IKEARN
CCCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000100691673	557270159	/nfs/dbraw/zinc/27/01/59/557270159.db2.gz	WDZSLALZWSXTBV-UHFFFAOYSA-N	0	0	445.673	5.806	50	30		IKEARN
CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000100717216	557271125	/nfs/dbraw/zinc/27/11/25/557271125.db2.gz	IXJOWDDYUDDZQR-GOTSBPSXSA-N	0	0	445.544	5.250	50	30		IKEARN
CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)s1)Nc1ccccc1-2	ZINC000100792566	557276227	/nfs/dbraw/zinc/27/62/27/557276227.db2.gz	QCUABLRJAKZXDL-HXUWFJFHSA-N	0	0	426.611	6.474	50	30		IKEARN
CCCCCCCCCCCCCCCc1cc(Cl)nc2c(OC)ccc(OC)c12	ZINC000100853412	557277258	/nfs/dbraw/zinc/27/72/58/557277258.db2.gz	GKLXRCHLRFYKTO-UHFFFAOYSA-N	0	0	434.064	8.539	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc(NC(C)=O)c1	ZINC000100856901	557277430	/nfs/dbraw/zinc/27/74/30/557277430.db2.gz	UBHLYSMPMVPWBL-UHFFFAOYSA-N	0	0	445.692	8.028	50	30		IKEARN
CCOc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N	ZINC000014009644	557277529	/nfs/dbraw/zinc/27/75/29/557277529.db2.gz	DYWJKEXIFYRURG-BUVRLJJBSA-N	0	0	437.499	5.342	50	30		IKEARN
COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1OC	ZINC000101092613	557282773	/nfs/dbraw/zinc/28/27/73/557282773.db2.gz	LHAIOIGEDVOXSV-UHFFFAOYSA-N	0	0	425.406	5.899	50	30		IKEARN
N#Cc1ccc(S(=O)(=O)N2CCC(CCc3ccc(-c4ccccc4)cc3)CC2)cc1	ZINC000023323292	557285824	/nfs/dbraw/zinc/28/58/24/557285824.db2.gz	MHYINCZFUZIMLG-UHFFFAOYSA-N	0	0	430.573	5.259	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1	ZINC000014118779	557307053	/nfs/dbraw/zinc/30/70/53/557307053.db2.gz	LVWQJOWAUDWHKE-UHFFFAOYSA-N	0	0	439.540	5.870	50	30		IKEARN
CCCCCCCNc1cccc2c1C(=O)c1cccc(NCCCCCCC)c1C2=O	ZINC000102055778	557309573	/nfs/dbraw/zinc/30/95/73/557309573.db2.gz	FMLYBQQOIZBSCZ-UHFFFAOYSA-N	0	0	434.624	7.227	50	30		IKEARN
C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cccc4ccccc43)[nH]2)cc1)c1ccccc1	ZINC000002896349	557310725	/nfs/dbraw/zinc/31/07/25/557310725.db2.gz	NTESRUUBWJLLNI-UHFFFAOYSA-N	0	0	446.553	7.964	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)COc1c(C)cccc1C	ZINC000102033131	557312114	/nfs/dbraw/zinc/31/21/14/557312114.db2.gz	ZSWMWQFBCJJIDK-UHFFFAOYSA-N	0	0	431.705	8.060	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl	ZINC000002838992	557312580	/nfs/dbraw/zinc/31/25/80/557312580.db2.gz	BHHMPXQOOHBKEW-UHFFFAOYSA-N	0	0	438.767	6.066	50	30		IKEARN
CCCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1	ZINC000102070688	557312622	/nfs/dbraw/zinc/31/26/22/557312622.db2.gz	RFYWTVJMIWMGQX-UHFFFAOYSA-N	0	0	434.536	6.442	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)cc1OC	ZINC000002850217	557313077	/nfs/dbraw/zinc/31/30/77/557313077.db2.gz	TWWAENLCNDYZKC-SXGWCWSVSA-N	0	0	448.700	5.020	50	30		IKEARN
CCCCCOc1ccc(/C=C2\CC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1	ZINC000004826317	557313482	/nfs/dbraw/zinc/31/34/82/557313482.db2.gz	LQPOYLDVQBSJKO-CDTUYSNOSA-N	0	0	432.604	7.655	50	30		IKEARN
Cc1ccc(-c2cc(C)nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1	ZINC000014186420	557313726	/nfs/dbraw/zinc/31/37/26/557313726.db2.gz	GQBVBKBHCIUGTM-UHFFFAOYSA-N	0	0	434.590	5.303	50	30		IKEARN
CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2	ZINC000100117647	557315184	/nfs/dbraw/zinc/31/51/84/557315184.db2.gz	VHXBRGQYPOBSKD-FRHWEDRMSA-N	0	0	438.527	5.414	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(/N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000103792399	557318543	/nfs/dbraw/zinc/31/85/43/557318543.db2.gz	VKSDRAQNEXCQDF-UTXMNRISSA-N	0	0	425.488	7.116	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102401904	557321129	/nfs/dbraw/zinc/32/11/29/557321129.db2.gz	MXMUOWKXALQQEG-MRJHHRETSA-N	0	0	432.545	5.510	50	30		IKEARN
C=CCc1cc(/C=C2\SC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(OC)c1O	ZINC000002834132	557324536	/nfs/dbraw/zinc/32/45/36/557324536.db2.gz	RFYWNYOHPGQXLR-ZDLGFXPLSA-N	0	0	431.966	5.497	50	30		IKEARN
CCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000000832174	557327943	/nfs/dbraw/zinc/32/79/43/557327943.db2.gz	UGYIHEJMGSWRPB-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1ccncc1	ZINC000011026151	557329214	/nfs/dbraw/zinc/32/92/14/557329214.db2.gz	FHVZUCODTNXTFJ-UHFFFAOYSA-N	0	0	432.242	5.138	50	30		IKEARN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@@H]1CCc1ccoc1C[NH+]1CCCCCC1	ZINC000247840528	557330644	/nfs/dbraw/zinc/33/06/44/557330644.db2.gz	NRXSHTMQYCWAJB-BJTFNZNYSA-N	0	0	441.656	6.540	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102483588	557330794	/nfs/dbraw/zinc/33/07/94/557330794.db2.gz	PBFONPZZAZUSLC-AYWGPLOBSA-N	0	0	426.516	5.314	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102488880	557331932	/nfs/dbraw/zinc/33/19/32/557331932.db2.gz	LKMVSRQHPNWMJA-PGVNHDJNSA-N	0	0	444.512	5.441	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000033288398	557332073	/nfs/dbraw/zinc/33/20/73/557332073.db2.gz	YMCXLLPIHSKVQS-CUYJMHBOSA-N	0	0	437.524	5.167	50	30		IKEARN
CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)C[C@@H](c2ccccc2)CC1=O	ZINC000100139603	557333222	/nfs/dbraw/zinc/33/32/22/557333222.db2.gz	JXMYHPMGFACJMR-OAQYLSRUSA-N	0	0	428.576	5.769	50	30		IKEARN
CCOc1cc(/C=C2/Sc3ccccc3C2=O)cc(I)c1OC	ZINC000033400335	557333911	/nfs/dbraw/zinc/33/39/11/557333911.db2.gz	HERMCXVZVCSPNV-MHWRWJLKSA-N	0	0	438.286	5.028	50	30		IKEARN
CCCCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000100140297	557333938	/nfs/dbraw/zinc/33/39/38/557333938.db2.gz	ANGAHHILOTWVEP-UHFFFAOYSA-N	0	0	442.603	6.077	50	30		IKEARN
CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)C[C@@H](c2ccccc2)CC1=O	ZINC000100140140	557333969	/nfs/dbraw/zinc/33/39/69/557333969.db2.gz	WVLDWJLUIFFIDW-HXUWFJFHSA-N	0	0	444.575	5.387	50	30		IKEARN
Cc1cc(C)cc(/N=C2\NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1	ZINC000033375693	557334096	/nfs/dbraw/zinc/33/40/96/557334096.db2.gz	MBEVVNJRKJPSEU-RGVLZGJSSA-N	0	0	443.355	6.762	50	30		IKEARN
C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@H]1c1ccc(OC)cc1	ZINC000033453842	557335515	/nfs/dbraw/zinc/33/55/15/557335515.db2.gz	KUDIFHJEAAEZSH-ZOPPNSLZSA-N	0	0	447.604	5.361	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccc(C)o4)C(=O)O3)cc2)cc1	ZINC000100166127	557340272	/nfs/dbraw/zinc/34/02/72/557340272.db2.gz	WVIVSZMKIGRAQS-OOAXWGSJSA-N	0	0	441.571	7.503	50	30		IKEARN
N#CCc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1	ZINC000023332325	557344596	/nfs/dbraw/zinc/34/45/96/557344596.db2.gz	UPSHCNCZQNNDHQ-VWLOTQADSA-N	0	0	444.966	5.345	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)c3cc(F)c(Cl)cc3Cl)s2)cc1	ZINC000014634686	557346074	/nfs/dbraw/zinc/34/60/74/557346074.db2.gz	RWEFLXZZSAVNPB-UHFFFAOYSA-N	0	0	439.324	5.400	50	30		IKEARN
CCCCn1c(/N=C/c2ccc(F)c(F)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176655	557347638	/nfs/dbraw/zinc/34/76/38/557347638.db2.gz	DJDWHUJXFHGUDB-BIZUNTBRSA-N	0	0	439.509	7.523	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102541282	557348106	/nfs/dbraw/zinc/34/81/06/557348106.db2.gz	KHRNUCZVOCCLJL-MRJHHRETSA-N	0	0	426.497	5.231	50	30		IKEARN
CCCN(CC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1	ZINC000023335555	557348275	/nfs/dbraw/zinc/34/82/75/557348275.db2.gz	UJJDJRSXWFOYCL-UHFFFAOYSA-N	0	0	427.592	6.018	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102509223	557349299	/nfs/dbraw/zinc/34/92/99/557349299.db2.gz	CULBWZKLZZUWJE-MOBKVPTQSA-N	0	0	440.524	5.539	50	30		IKEARN
C=CCCC(=O)Nc1c(-c2ccc(OC)cc2)cn(Cc2ccccc2)c1C(=O)OCC	ZINC000023426846	557353668	/nfs/dbraw/zinc/35/36/68/557353668.db2.gz	NBSSRHZPGVURPF-UHFFFAOYSA-N	0	0	432.520	5.293	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000102527988	557354120	/nfs/dbraw/zinc/35/41/20/557354120.db2.gz	IEELTGDAKUDOCY-MRJHHRETSA-N	0	0	441.955	5.096	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1	ZINC000102589451	557356633	/nfs/dbraw/zinc/35/66/33/557356633.db2.gz	JAXAOKXPROZBAT-MOBKVPTQSA-N	0	0	433.891	5.283	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000102602119	557357834	/nfs/dbraw/zinc/35/78/34/557357834.db2.gz	WFFZWQJUYCGRDV-WOOAAIBNSA-N	0	0	428.271	5.208	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000102553296	557358418	/nfs/dbraw/zinc/35/84/18/557358418.db2.gz	SQPCACGGUYLTEZ-MRJHHRETSA-N	0	0	448.316	5.384	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000102613907	557359146	/nfs/dbraw/zinc/35/91/46/557359146.db2.gz	GRDAQYUSBOMGDQ-MRJHHRETSA-N	0	0	438.310	5.928	50	30		IKEARN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1	ZINC000102621432	557359626	/nfs/dbraw/zinc/35/96/26/557359626.db2.gz	MEOYOBMIGCKVMI-ZHHPLPSFSA-N	0	0	446.503	5.178	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000102623805	557359942	/nfs/dbraw/zinc/35/99/42/557359942.db2.gz	BINWNJFDVAGUQV-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000102623802	557360093	/nfs/dbraw/zinc/36/00/93/557360093.db2.gz	BINWNJFDVAGUQV-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
N#Cc1cccc(C(=O)Nc2cc(-c3ccccc3)nn2-c2ccc(Br)cc2)c1	ZINC000023460578	557360561	/nfs/dbraw/zinc/36/05/61/557360561.db2.gz	ANIBIOVKHVDNOG-UHFFFAOYSA-N	0	0	443.304	5.426	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102609751	557360961	/nfs/dbraw/zinc/36/09/61/557360961.db2.gz	CKNKAYBXZNYPSZ-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@H]3c3ccc(C)o3)sc2c1	ZINC000102693928	557364687	/nfs/dbraw/zinc/36/46/87/557364687.db2.gz	FBLPMMQKFOSGMI-YDJIHCHBSA-N	0	0	448.500	5.288	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102696608	557364888	/nfs/dbraw/zinc/36/48/88/557364888.db2.gz	JJRZHGJEUZJJCB-JBCNATCCSA-N	0	0	444.512	5.639	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1	ZINC000524729925	557368725	/nfs/dbraw/zinc/36/87/25/557368725.db2.gz	OMHSTCAJNFYUBR-DHJMFLCTSA-N	0	0	426.468	5.573	50	30	biogenic	IKEARN
Clc1cccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1Cl	ZINC000003113200	557372615	/nfs/dbraw/zinc/37/26/15/557372615.db2.gz	BDYOJMOVYDZSKP-BHGWPJFGSA-N	0	0	446.131	7.315	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102714328	557374593	/nfs/dbraw/zinc/37/45/93/557374593.db2.gz	FFAXGXFFLXBTER-JBCNATCCSA-N	0	0	434.467	5.046	50	30		IKEARN
CCCCCCCCNC(=O)c1cccnc1SCC(=O)Nc1ccc(C(C)C)cc1	ZINC000102771003	557381782	/nfs/dbraw/zinc/38/17/82/557381782.db2.gz	PKUTXLRDQXESKN-UHFFFAOYSA-N	0	0	441.641	6.026	50	30		IKEARN
CCCCCCCCNC(=O)c1ccc2c(c1)ncn2-c1cc(OC)c(OC)c(OC)c1	ZINC000102773131	557381913	/nfs/dbraw/zinc/38/19/13/557381913.db2.gz	VCPYHIBQBRVIDY-UHFFFAOYSA-N	0	0	439.556	5.142	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102804630	557386366	/nfs/dbraw/zinc/38/63/66/557386366.db2.gz	BIBJWBBIWYIXEY-NHFXJNLRSA-N	0	0	447.560	5.079	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000102804586	557386462	/nfs/dbraw/zinc/38/64/62/557386462.db2.gz	FLFRERCQPCCDRT-JBCNATCCSA-N	0	0	444.512	5.386	50	30		IKEARN
COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1	ZINC000003113232	557390595	/nfs/dbraw/zinc/39/05/95/557390595.db2.gz	HKTXNUOZCVVQAC-BRJLIKDPSA-N	0	0	425.271	6.339	50	30		IKEARN
CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccnc3)sc3c2CCCCC3)cc1	ZINC000101154136	557392469	/nfs/dbraw/zinc/39/24/69/557392469.db2.gz	AZXGPZNTHBRUJB-JVWAILMASA-N	0	0	447.560	5.592	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(CCCOCC)c2nc3ccccc3nc21	ZINC000102818024	557393333	/nfs/dbraw/zinc/39/33/33/557393333.db2.gz	KNQUGLFZBOQCHP-UHFFFAOYSA-N	0	0	440.588	5.501	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21	ZINC000102818243	557393363	/nfs/dbraw/zinc/39/33/63/557393363.db2.gz	GRAWETCQDORAGY-UHFFFAOYSA-N	0	0	444.579	6.122	50	30		IKEARN
O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1cc(Cl)ccc1OCC(F)(F)F	ZINC000102826869	557393951	/nfs/dbraw/zinc/39/39/51/557393951.db2.gz	HXLGWAHSJMMHMR-UHFFFAOYSA-N	0	0	433.682	5.158	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102873919	557396243	/nfs/dbraw/zinc/39/62/43/557396243.db2.gz	DDQXZYQKEWLMJM-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
COc1ccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000033457271	557399281	/nfs/dbraw/zinc/39/92/81/557399281.db2.gz	NAAZRSQSGGMPNQ-CPNJWEJPSA-N	0	0	445.471	5.286	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000102858717	557399482	/nfs/dbraw/zinc/39/94/82/557399482.db2.gz	DZUPHVCNUFEGNO-HOGKFDNTSA-N	0	0	448.906	5.150	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102859688	557399755	/nfs/dbraw/zinc/39/97/55/557399755.db2.gz	UWMZZDQZVQILKT-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2cccc(Cl)c2)c1	ZINC000100408126	557401870	/nfs/dbraw/zinc/40/18/70/557401870.db2.gz	QJWOAXFZUNRGTI-BRPDVVIDSA-N	0	0	445.897	7.152	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102865453	557404506	/nfs/dbraw/zinc/40/45/06/557404506.db2.gz	OQGFORKXTOCTTI-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000118913454	557404943	/nfs/dbraw/zinc/40/49/43/557404943.db2.gz	GGQIDQJAIYDGEX-FKRGKKQFSA-N	0	0	427.585	5.436	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102876752	557406338	/nfs/dbraw/zinc/40/63/38/557406338.db2.gz	TUTRMMMLFJNFFY-ZHHPLPSFSA-N	0	0	426.516	5.001	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102876972	557406618	/nfs/dbraw/zinc/40/66/18/557406618.db2.gz	TUGQIINDJIIWLG-JBCNATCCSA-N	0	0	438.310	5.928	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000102877176	557406729	/nfs/dbraw/zinc/40/67/29/557406729.db2.gz	DNSKRIVHMVOPGI-GHNGSUTGSA-N	0	0	448.744	5.324	50	30		IKEARN
CCCCCCCCCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000100476869	557408756	/nfs/dbraw/zinc/40/87/56/557408756.db2.gz	HEXFYLXFSPRCPS-UHFFFAOYSA-N	0	0	428.485	6.405	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1snnc1C(=O)OCC	ZINC000100479111	557409047	/nfs/dbraw/zinc/40/90/47/557409047.db2.gz	JJZJRHTZARXJEI-UHFFFAOYSA-N	0	0	439.666	6.915	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1	ZINC000100479385	557409125	/nfs/dbraw/zinc/40/91/25/557409125.db2.gz	LRZMINYCHKGPFT-HNDIIABASA-N	0	0	443.503	5.829	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000102928765	557410695	/nfs/dbraw/zinc/41/06/95/557410695.db2.gz	CWFYZPLFQJOJOV-LFVOPCPISA-N	0	0	428.271	5.208	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102929401	557410710	/nfs/dbraw/zinc/41/07/10/557410710.db2.gz	NOTJRJLLRHSPHC-ZHHPLPSFSA-N	0	0	446.934	5.480	50	30		IKEARN
Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1	ZINC000100492692	557410851	/nfs/dbraw/zinc/41/08/51/557410851.db2.gz	ZFQPOMJPQNFCKO-YAGSLNJISA-N	0	0	445.349	8.287	50	30		IKEARN
O=C(/C=C\c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000033579204	557412764	/nfs/dbraw/zinc/41/27/64/557412764.db2.gz	ARKMGMHJSPBTRC-NTMALXAHSA-N	0	0	439.341	5.719	50	30		IKEARN
CCCCCCCCC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1	ZINC000102996009	557414899	/nfs/dbraw/zinc/41/48/99/557414899.db2.gz	UOUOFESPRJTXGB-HSZRJFAPSA-N	0	0	440.534	7.187	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(C)(C)C	ZINC000102990897	557415699	/nfs/dbraw/zinc/41/56/99/557415699.db2.gz	LORSUNNIEQHUSI-UHFFFAOYSA-N	0	0	442.669	6.265	50	30		IKEARN
CCCCCCCC(=O)N1CCC2(CC1)SCC(=O)N2c1cccc(C(F)(F)F)c1	ZINC000102992136	557415750	/nfs/dbraw/zinc/41/57/50/557415750.db2.gz	ANPUUWJHMUSQLG-UHFFFAOYSA-N	0	0	442.547	5.464	50	30		IKEARN
CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000103067748	557418077	/nfs/dbraw/zinc/41/80/77/557418077.db2.gz	QTYNXWDCVBVOKC-DIBXZPPDSA-N	0	0	446.620	6.612	50	30		IKEARN
O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1	ZINC000103145666	557423206	/nfs/dbraw/zinc/42/32/06/557423206.db2.gz	BABRVIJCSMJRKH-VROXFSQNSA-N	0	0	436.846	5.067	50	30		IKEARN
C=C(C)C(=O)N=c1ccc2c3ccc(NC(=O)C(=C)C)cc3c(-c3ccccc3)n(CC)c-2c1	ZINC000526056787	557425626	/nfs/dbraw/zinc/42/56/26/557425626.db2.gz	UMMNMTSCMHDYFL-UHFFFAOYSA-N	0	0	449.554	5.951	50	30		IKEARN
O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1	ZINC000103431242	557437225	/nfs/dbraw/zinc/43/72/25/557437225.db2.gz	OMUUILJZYRYNHW-BYQCITFHSA-N	0	0	442.331	7.170	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(N(CC)CC)cc3)C2=N)S1	ZINC000103680329	557440067	/nfs/dbraw/zinc/44/00/67/557440067.db2.gz	ZCZZIURTVXSTSD-ZYEZLKIFSA-N	0	0	425.602	5.512	50	30		IKEARN
C/N=C1/S/C(=C/c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C	ZINC000103684611	557440252	/nfs/dbraw/zinc/44/02/52/557440252.db2.gz	BFYQUYGGYFENII-VQRWUSQMSA-N	0	0	447.604	5.684	50	30		IKEARN
Cc1cc(C)c(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1	ZINC000103746491	557441298	/nfs/dbraw/zinc/44/12/98/557441298.db2.gz	XEGZIPBMXLGSNW-NCELDCMTSA-N	0	0	436.558	5.044	50	30		IKEARN
Cc1cccc(S/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1	ZINC000103924416	557442605	/nfs/dbraw/zinc/44/26/05/557442605.db2.gz	BOFUPXFEXBFWCH-XDOYNYLZSA-N	0	0	446.391	5.685	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000104155750	557451403	/nfs/dbraw/zinc/45/14/03/557451403.db2.gz	JZRVPEZFYKMXSK-KOSHJBKYSA-N	0	0	437.926	6.876	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1	ZINC000106336415	557528548	/nfs/dbraw/zinc/52/85/48/557528548.db2.gz	LRZMINYCHKGPFT-YREBHDEESA-N	0	0	443.503	5.829	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1	ZINC000003169685	557531565	/nfs/dbraw/zinc/53/15/65/557531565.db2.gz	YUUXIUNZOKQLPF-VULFUBBASA-N	0	0	443.300	6.867	50	30		IKEARN
O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1	ZINC000003169599	557531642	/nfs/dbraw/zinc/53/16/42/557531642.db2.gz	DIKPLWOAHJUXNA-HRLJDNPUSA-N	0	0	448.276	6.581	50	30		IKEARN
CC(=O)N(c1nc(CN2CCC[C@H]2[C@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1	ZINC000106920945	557533226	/nfs/dbraw/zinc/53/32/26/557533226.db2.gz	QBXBEBVLSQZLFW-RPBOFIJWSA-N	0	0	444.604	5.716	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2C)cc1C	ZINC000044859300	557538548	/nfs/dbraw/zinc/53/85/48/557538548.db2.gz	IQQYHGCCJXZQCS-XMMPIXPASA-N	0	0	426.520	5.083	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1ccccc1	ZINC000044973583	557541749	/nfs/dbraw/zinc/54/17/49/557541749.db2.gz	HUVPILIJOWCQGE-FQEVSTJZSA-N	0	0	442.588	5.552	50	30		IKEARN
CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1	ZINC000045940371	557548813	/nfs/dbraw/zinc/54/88/13/557548813.db2.gz	ZWKLITMFTURPIY-HXUWFJFHSA-N	0	0	442.607	6.291	50	30		IKEARN
CCc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1	ZINC000045940560	557549108	/nfs/dbraw/zinc/54/91/08/557549108.db2.gz	OCKWTCFZFBIOFT-UHFFFAOYSA-N	0	0	426.442	5.061	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OCCCC)cc3)o2)SC1=S	ZINC000002989367	557658851	/nfs/dbraw/zinc/65/88/51/557658851.db2.gz	OLCIRABIBFEORJ-XMHGGMMESA-N	0	0	427.547	5.291	50	30		IKEARN
C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)CCCCC3	ZINC000002956628	557677618	/nfs/dbraw/zinc/67/76/18/557677618.db2.gz	MVVZSDUFIRURMH-UHFFFAOYSA-N	0	0	436.606	5.340	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3nc(-c4cccc(C)c4)oc3c2)c1O	ZINC000225387394	557717400	/nfs/dbraw/zinc/71/74/00/557717400.db2.gz	XSEMWQGHMGJWOD-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
C[C@@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21	ZINC000226074035	557804082	/nfs/dbraw/zinc/80/40/82/557804082.db2.gz	FMTLDGNAGVCGTD-PUAOIOHZSA-N	0	0	426.564	5.780	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1	ZINC000000851166	557830408	/nfs/dbraw/zinc/83/04/08/557830408.db2.gz	JBBRUGQKFWPECL-UHFFFAOYSA-N	0	0	449.479	5.440	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000000861224	557832541	/nfs/dbraw/zinc/83/25/41/557832541.db2.gz	NBBKZSFRFJSGCZ-QHCPKHFHSA-N	0	0	435.480	5.162	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc31)Nc1ccccc1N2	ZINC000000861253	557832580	/nfs/dbraw/zinc/83/25/80/557832580.db2.gz	SSPBPHSKZQHDGD-SOKVYYICSA-N	0	0	439.946	6.801	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=C/C=C/C=c1\c2cccc3cccc(c23)n1Cc1ccccc1	ZINC000685944673	557839343	/nfs/dbraw/zinc/83/93/43/557839343.db2.gz	RRHDPPACGPNJNB-LKAMPELFSA-N	0	0	439.514	5.904	50	30		IKEARN
N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1	ZINC000000865632	557839479	/nfs/dbraw/zinc/83/94/79/557839479.db2.gz	DBSYBNNTKIBHEC-CVEARBPZSA-N	0	0	445.832	5.321	50	30		IKEARN
COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N	ZINC000000879516	557841264	/nfs/dbraw/zinc/84/12/64/557841264.db2.gz	OJORBFXDDLUACH-UHFFFAOYSA-N	0	0	443.450	5.378	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1	ZINC000000870634	557841984	/nfs/dbraw/zinc/84/19/84/557841984.db2.gz	WAFOLGULPNKPTP-UHFFFAOYSA-N	0	0	430.500	5.402	50	30		IKEARN
CCOC(=O)c1c(C)c(C#N)c(SCC(=O)c2ccc(OC)cc2)nc1-c1ccccc1	ZINC000000885458	557855624	/nfs/dbraw/zinc/85/56/24/557855624.db2.gz	NCWIQPQCRSLMFJ-UHFFFAOYSA-N	0	0	446.528	5.089	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000253501159	560038855	/nfs/dbraw/zinc/03/88/55/560038855.db2.gz	UOCUEIOMIAYZNI-XQQAMPDISA-N	0	0	428.613	5.468	50	30	biogenic,in-vitro	IKEARN
CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C(\Cl)C(F)(F)F	ZINC000000607797	562918808	/nfs/dbraw/zinc/91/88/08/562918808.db2.gz	ZXQYGBMAQZUVMI-KJLJINFSSA-N	0	0	449.856	6.544	50	30	in-man	IKEARN
CCc1nn(-c2cc(Oc3cccc4ccccc43)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000001018142	562920045	/nfs/dbraw/zinc/92/00/45/562920045.db2.gz	DVXKYIJIPVPGEV-UHFFFAOYSA-N	0	0	432.487	5.291	50	30		IKEARN
O=C(c1ccco1)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Br)cc1	ZINC000001103132	562920501	/nfs/dbraw/zinc/92/05/01/562920501.db2.gz	DALYEYYKQBDCGB-PDGQHHTCSA-N	0	0	426.291	5.519	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2	ZINC000001240190	562921034	/nfs/dbraw/zinc/92/10/34/562921034.db2.gz	WKJQIQLVPKQTTD-UHFFFAOYSA-N	0	0	432.589	5.978	50	30	biogenic	IKEARN
CN(C)c1cccc2c1C(=O)C=C[C@@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23	ZINC000001856438	562924937	/nfs/dbraw/zinc/92/49/37/562924937.db2.gz	BUCXQKQWSZDMOG-NDEPHWFRSA-N	0	0	425.576	5.023	50	30		IKEARN
CC1(C)Cc2c(C#N)sc(SCCOC(=O)Nc3cccc(Cl)c3)c2C(=O)C1	ZINC000002142187	562926028	/nfs/dbraw/zinc/92/60/28/562926028.db2.gz	PZWYPKZFOBEQEI-UHFFFAOYSA-N	0	0	434.970	5.769	50	30		IKEARN
CN(C)c1cccc2c1C(=O)C=C[C@]21CCc2ccc(N(C)C)c3c(N(C)C)ccc1c23	ZINC000002294423	562926766	/nfs/dbraw/zinc/92/67/66/562926766.db2.gz	BUCXQKQWSZDMOG-MUUNZHRXSA-N	0	0	425.576	5.023	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1	ZINC000002429009	562927599	/nfs/dbraw/zinc/92/75/99/562927599.db2.gz	YZHDZFLNWPDUAT-UHFFFAOYSA-N	0	0	433.899	5.144	50	30		IKEARN
COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc(C#N)cc2)cc1	ZINC000002450986	562927802	/nfs/dbraw/zinc/92/78/02/562927802.db2.gz	ZZCOBZHZGHUPJB-UHFFFAOYSA-N	0	0	442.544	5.327	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000006003267	562945682	/nfs/dbraw/zinc/94/56/82/562945682.db2.gz	SZBWKZHLROZHJQ-JMOBTMGKSA-N	0	0	432.560	5.831	50	30		IKEARN
Cc1ccc(C(=NS(=O)(=O)c2ccc(Br)cc2)Nc2ccccc2C)cc1	ZINC000006076513	562946148	/nfs/dbraw/zinc/94/61/48/562946148.db2.gz	MJNDOWNISWUYTF-UHFFFAOYSA-N	0	0	443.366	5.314	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3cccc(C)c3)c2C#N)cc1	ZINC000008441112	562949382	/nfs/dbraw/zinc/94/93/82/562949382.db2.gz	HVELMMJVRXZNBC-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3F)n2)cc1	ZINC000008590146	562951492	/nfs/dbraw/zinc/95/14/92/562951492.db2.gz	CCGAUSVHRSOZDT-UHFFFAOYSA-N	0	0	445.441	5.817	50	30		IKEARN
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C#N)cc4F)cc3n2)cc1	ZINC000008590673	562951797	/nfs/dbraw/zinc/95/17/97/562951797.db2.gz	PEFAJZVEDHAXQW-UHFFFAOYSA-N	0	0	427.483	5.335	50	30		IKEARN
Cc1nc(SCc2c(F)cccc2Cl)c(C#N)c(C)c1Cc1c(F)cccc1Cl	ZINC000008616651	562959751	/nfs/dbraw/zinc/95/97/51/562959751.db2.gz	AQQXRUGDCJVFRZ-UHFFFAOYSA-N	0	0	449.353	7.038	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1	ZINC000008830078	562964797	/nfs/dbraw/zinc/96/47/97/562964797.db2.gz	YXYBNAMSWOQJQG-OPEKNORGSA-N	0	0	436.821	5.279	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009007937	562966647	/nfs/dbraw/zinc/96/66/47/562966647.db2.gz	FZEOTGVBCDNKDA-FQEVSTJZSA-N	0	0	430.485	5.289	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1	ZINC000009433196	562970865	/nfs/dbraw/zinc/97/08/65/562970865.db2.gz	YEBLZTWALSQZMT-PKTZIBPZSA-N	0	0	429.545	5.195	50	30		IKEARN
Cc1cccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1	ZINC000013739575	563002975	/nfs/dbraw/zinc/00/29/75/563002975.db2.gz	RNPHZSIDLTYYAZ-OAQYLSRUSA-N	0	0	433.558	6.054	50	30	aggregator	IKEARN
C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000018219729	563022268	/nfs/dbraw/zinc/02/22/68/563022268.db2.gz	GVEJYMKBBLLBFM-UHFFFAOYSA-N	0	0	449.923	5.060	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1	ZINC000025615758	563027485	/nfs/dbraw/zinc/02/74/85/563027485.db2.gz	DNATVEAMVQJOSK-NRFANRHFSA-N	0	0	431.561	5.259	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)NC[C@H](c1ccco1)N1CCCCC1	ZINC000025615752	563027536	/nfs/dbraw/zinc/02/75/36/563027536.db2.gz	DNATVEAMVQJOSK-OAQYLSRUSA-N	0	0	431.561	5.259	50	30		IKEARN
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OCC)cc1	ZINC000000939698	568640754	/nfs/dbraw/zinc/64/07/54/568640754.db2.gz	AKEYPPYUIUMVFK-UHFFFAOYSA-N	0	0	442.519	5.306	50	30		IKEARN
Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C	ZINC000000945294	568643379	/nfs/dbraw/zinc/64/33/79/568643379.db2.gz	NFMZZNWEHXESRO-CLJLJLNGSA-N	0	0	441.552	6.329	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)cc1	ZINC000000956627	568645933	/nfs/dbraw/zinc/64/59/33/568645933.db2.gz	WKGZBWAIZFAMMS-UUYOSTAYSA-N	0	0	437.289	5.653	50	30	biogenic	IKEARN
COc1cccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3cccc(OC)c3)C2=O)c1	ZINC000025197558	568647261	/nfs/dbraw/zinc/64/72/61/568647261.db2.gz	AIQWHIYOLDHKFR-KOJZRSEWSA-N	0	0	425.528	5.256	50	30		IKEARN
CCSC(=S)[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1	ZINC000000977080	568648244	/nfs/dbraw/zinc/64/82/44/568648244.db2.gz	KBXPELSZBPOEIC-VWLOTQADSA-N	0	0	441.581	5.485	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C#N)c1C	ZINC000000995758	568648270	/nfs/dbraw/zinc/64/82/70/568648270.db2.gz	VZCGBAQSCIXZDI-VQHVLOKHSA-N	0	0	436.364	5.369	50	30		IKEARN
CCOC(=O)c1c(C)n(C)c2ccc(Oc3nccc(Nc4ccc(C)cc4)c3C#N)cc21	ZINC000000978611	568648615	/nfs/dbraw/zinc/64/86/15/568648615.db2.gz	HNWRECYGIJCPRD-UHFFFAOYSA-N	0	0	440.503	5.774	50	30		IKEARN
Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1	ZINC000000993577	568649317	/nfs/dbraw/zinc/64/93/17/568649317.db2.gz	OQZASONRRBHPCD-VJGNERBWSA-N	0	0	429.523	5.588	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C2=C(CCCC2=O)N1	ZINC000001010249	568651974	/nfs/dbraw/zinc/65/19/74/568651974.db2.gz	ONFNMQBVMJHACL-OAQYLSRUSA-N	0	0	426.438	5.312	50	30		IKEARN
COc1ccc(-c2csc(NC(=O)Cc3c(F)cccc3Cl)c2C#N)cc1OC	ZINC000001056046	568654668	/nfs/dbraw/zinc/65/46/68/568654668.db2.gz	BHJNTZZZIVZZEH-UHFFFAOYSA-N	0	0	430.888	5.278	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1	ZINC000025389628	568656014	/nfs/dbraw/zinc/65/60/14/568656014.db2.gz	QGHUYYWUPHXRMB-SFHVURJKSA-N	0	0	441.531	5.053	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21	ZINC000001065419	568656106	/nfs/dbraw/zinc/65/61/06/568656106.db2.gz	CAYPLBWXIOMWFB-GVAUOCQISA-N	0	0	437.449	5.249	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl	ZINC000001079885	568656900	/nfs/dbraw/zinc/65/69/00/568656900.db2.gz	UIMLJUMZFLLHIF-ZDUSSCGKSA-N	0	0	436.758	5.692	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1cccc(Cl)c1Cl	ZINC000001079573	568656971	/nfs/dbraw/zinc/65/69/71/568656971.db2.gz	RFQRCRSYHJVAOJ-INIZCTEOSA-N	0	0	432.322	6.296	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000001080216	568656994	/nfs/dbraw/zinc/65/69/94/568656994.db2.gz	LUHXGQBPZJLMON-LYZGTLIUSA-N	0	0	446.550	6.592	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2	ZINC000001080233	568657021	/nfs/dbraw/zinc/65/70/21/568657021.db2.gz	LPASXEOEVJVMQJ-UZTOHYMASA-N	0	0	446.506	5.922	50	30		IKEARN
Cc1ccc(N2C(=O)C[C@@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1	ZINC000001079540	568657032	/nfs/dbraw/zinc/65/70/32/568657032.db2.gz	WDFVSFCLKSKLFR-SFHVURJKSA-N	0	0	428.359	6.466	50	30		IKEARN
COc1cc(C2=C3C(=O)CC(C)(C)C[C@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O	ZINC000001072442	568657665	/nfs/dbraw/zinc/65/76/65/568657665.db2.gz	ZYXMJPUTWGUMEF-HXUWFJFHSA-N	0	0	442.515	5.154	50	30		IKEARN
CC1(C)CC(=O)C([C@H]2c3cc(Br)ccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1	ZINC000001097787	568658763	/nfs/dbraw/zinc/65/87/63/568658763.db2.gz	KKGFFQSFDZJSEK-LJQANCHMSA-N	0	0	445.353	5.770	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cc2ccccc2o1	ZINC000001105589	568660641	/nfs/dbraw/zinc/66/06/41/568660641.db2.gz	WZFNAKXTOBHBJE-UHFFFAOYSA-N	0	0	432.549	5.533	50	30		IKEARN
CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000001145236	568661115	/nfs/dbraw/zinc/66/11/15/568661115.db2.gz	JYUVZCUGGYUEOC-AEFFLSMTSA-N	0	0	444.569	5.829	50	30		IKEARN
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br	ZINC000001132760	568661434	/nfs/dbraw/zinc/66/14/34/568661434.db2.gz	SGNDXWYWMWVYTA-ZDUSSCGKSA-N	0	0	447.398	5.794	50	30		IKEARN
CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000015228427	568735122	/nfs/dbraw/zinc/73/51/22/568735122.db2.gz	JXNWEZKXEBAMRW-UHFFFAOYSA-N	0	0	442.506	7.110	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)c(OC)c1	ZINC000001199931	568736567	/nfs/dbraw/zinc/73/65/67/568736567.db2.gz	NQFQDINBXUGQLG-UHFFFAOYSA-N	0	0	443.528	5.721	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSCCNC(=O)c1ccccn1	ZINC000136994607	568737742	/nfs/dbraw/zinc/73/77/42/568737742.db2.gz	SJJLEBGUATVJNJ-UHFFFAOYSA-N	0	0	434.734	7.806	50	30		IKEARN
COc1ccccc1-c1ccc2oc([C@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1	ZINC000034908986	568739334	/nfs/dbraw/zinc/73/93/34/568739334.db2.gz	VXRWJJCXEXIGDX-JOCHJYFZSA-N	0	0	438.487	5.744	50	30		IKEARN
Cc1ccc(COc2ccc(/C=N/n3cnnc3SCc3ccccc3Cl)cc2)cc1	ZINC000001917920	568742254	/nfs/dbraw/zinc/74/22/54/568742254.db2.gz	NHDAMEJAXWBYQK-MZJWZYIUSA-N	0	0	448.979	5.993	50	30		IKEARN
N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1	ZINC000012526607	568742594	/nfs/dbraw/zinc/74/25/94/568742594.db2.gz	MQMNMFLOTFXECD-ZEQKJWHPSA-N	0	0	431.967	5.002	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003284460	568744969	/nfs/dbraw/zinc/74/49/69/568744969.db2.gz	LDHSKKAVYZFKMA-UHFFFAOYSA-N	0	0	431.565	5.031	50	30		IKEARN
CCCCCC(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OC	ZINC000003625441	568751765	/nfs/dbraw/zinc/75/17/65/568751765.db2.gz	PCDCDSFRCUGVSZ-UHFFFAOYSA-N	0	0	438.520	5.309	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003627456	568751966	/nfs/dbraw/zinc/75/19/66/568751966.db2.gz	KXNMAIAKSBGCKU-SPLOXXLWSA-N	0	0	435.014	5.765	50	30		IKEARN
CCOC(=O)c1c2c(sc1/N=C/c1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2	ZINC000003663555	568753584	/nfs/dbraw/zinc/75/35/84/568753584.db2.gz	SHDDNQZAXJKIKO-BRJLIKDPSA-N	0	0	448.371	7.121	50	30		IKEARN
C=CCc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1	ZINC000003660967	568753903	/nfs/dbraw/zinc/75/39/03/568753903.db2.gz	ABGATVBUTHVATL-WGOQTCKBSA-N	0	0	436.349	6.516	50	30		IKEARN
CCOc1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1	ZINC000003667032	568753938	/nfs/dbraw/zinc/75/39/38/568753938.db2.gz	YHHSGWMOWZTUTC-MFKUBSTISA-N	0	0	430.554	7.343	50	30		IKEARN
Cc1ccc(N2C3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1	ZINC000003671310	568754113	/nfs/dbraw/zinc/75/41/13/568754113.db2.gz	SKIJVPGAWKSSJO-SANMLTNESA-N	0	0	445.562	6.850	50	30		IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccccc2Cl)CC(=O)O3)C1=O	ZINC000263584866	568758960	/nfs/dbraw/zinc/75/89/60/568758960.db2.gz	BRBHDKFDQXTHIG-WCEBZYJUSA-N	0	0	432.859	5.406	50	30	biogenic	IKEARN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccnc3)C2)cc1	ZINC000004035917	568759735	/nfs/dbraw/zinc/75/97/35/568759735.db2.gz	CQFWKIXFDAHDJB-RBISFHTESA-N	0	0	449.554	5.701	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004062229	568760065	/nfs/dbraw/zinc/76/00/65/568760065.db2.gz	RPJYQERFYOCLIV-UZTOHYMASA-N	0	0	444.962	6.718	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2O)N(C2CCCCC2)C1=O	ZINC000004108991	568775522	/nfs/dbraw/zinc/77/55/22/568775522.db2.gz	GBILBIULZNPRHV-ZMPCKTLKSA-N	0	0	437.590	5.699	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3	ZINC000001299643	568779045	/nfs/dbraw/zinc/77/90/45/568779045.db2.gz	YFKCFDHHFNHUCM-GOSISDBHSA-N	0	0	442.606	5.221	50	30		IKEARN
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000001389884	568784928	/nfs/dbraw/zinc/78/49/28/568784928.db2.gz	DXLYZZLPYZKKCY-UHFFFAOYSA-N	0	0	442.441	5.696	50	30		IKEARN
Cc1ccccc1Nc1c2cccc(C)c2nc(C(F)(F)C(F)(F)F)c1C(F)(F)F	ZINC000002913406	568789438	/nfs/dbraw/zinc/78/94/38/568789438.db2.gz	PCCHTVQSWMOTDK-UHFFFAOYSA-N	0	0	434.330	7.268	50	30		IKEARN
CN(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000001413306	568790226	/nfs/dbraw/zinc/79/02/26/568790226.db2.gz	HTCTYIXEIVFTFI-JOCHJYFZSA-N	0	0	432.907	5.189	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C	ZINC000001416226	568790610	/nfs/dbraw/zinc/79/06/10/568790610.db2.gz	NWBGBTNMXMVFRS-RGCCPRADSA-N	0	0	435.593	5.375	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421899	568793198	/nfs/dbraw/zinc/79/31/98/568793198.db2.gz	LJJSPCAEEZFQQU-OAHLLOKOSA-N	0	0	445.585	5.341	50	30		IKEARN
CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000001421739	568793204	/nfs/dbraw/zinc/79/32/04/568793204.db2.gz	CKRGZYBCQPGMIS-HRFSGMKKSA-N	0	0	434.539	6.457	50	30		IKEARN
CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl	ZINC000019202044	568793964	/nfs/dbraw/zinc/79/39/64/568793964.db2.gz	ILQVPHGLJPFAMX-RBUKOAKNSA-N	0	0	430.162	6.096	50	30		IKEARN
CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	ZINC000001430114	568794397	/nfs/dbraw/zinc/79/43/97/568794397.db2.gz	PBTQKDHOKIUUQU-NVXWUHKLSA-N	0	0	429.347	5.187	50	30		IKEARN
COc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001430892	568794549	/nfs/dbraw/zinc/79/45/49/568794549.db2.gz	YHTBTTRBHANPDE-GOSISDBHSA-N	0	0	432.545	5.035	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccccc3F)C3=C1CCCC3=O)CCCCC2	ZINC000001430169	568794736	/nfs/dbraw/zinc/79/47/36/568794736.db2.gz	VZVPKTLQQRMNGH-KRWDZBQOSA-N	0	0	434.536	5.555	50	30		IKEARN
Cc1ccsc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2	ZINC000001431974	568795009	/nfs/dbraw/zinc/79/50/09/568795009.db2.gz	WWBBNFSDPRWCRJ-MRXNPFEDSA-N	0	0	436.602	5.786	50	30		IKEARN
Oc1c(I)cccc1/C=N/c1ccc2nc(-c3ccccc3)oc2c1	ZINC000001433891	568795613	/nfs/dbraw/zinc/79/56/13/568795613.db2.gz	OKBDPQILWUYQOG-WSDLNYQXSA-N	0	0	440.240	5.556	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1	ZINC000001439855	568804773	/nfs/dbraw/zinc/80/47/73/568804773.db2.gz	WZOYIUBDCZQEMK-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)N(C)C2=O)c2ccccc21	ZINC000006394167	568806569	/nfs/dbraw/zinc/80/65/69/568806569.db2.gz	KDMBWUVJIVBDCL-PXLXIMEGSA-N	0	0	434.586	5.280	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1CC(=O)Nc1ccc(Cc2ccncc2)cc1	ZINC000001446229	568807240	/nfs/dbraw/zinc/80/72/40/568807240.db2.gz	JYXNQZNZDWTTMR-UHFFFAOYSA-N	0	0	435.552	5.876	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000032501340	568811546	/nfs/dbraw/zinc/81/15/46/568811546.db2.gz	RCYVTNDOESHAPC-JLPGSUDCSA-N	0	0	433.548	6.465	50	30		IKEARN
CCc1cccc(/N=C(/NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1	ZINC000015729142	568813342	/nfs/dbraw/zinc/81/33/42/568813342.db2.gz	MICQKAZBHBNQOP-UHFFFAOYSA-N	0	0	440.591	5.106	50	30		IKEARN
Cc1cc(C)c(/N=C2\[C@@H]([NH+]3CCCCC3)C3(CCCCC3)C(=O)N2c2ccccc2)c(C)c1	ZINC000015729254	568813357	/nfs/dbraw/zinc/81/33/57/568813357.db2.gz	BYFFSGOEORCNAM-XWGMSIGLSA-N	0	0	443.635	6.494	50	30		IKEARN
C=CCn1c(SCc2ccc(OC(F)(F)F)cc2)nnc1-c1ccc2ncccc2c1	ZINC000008715182	568816340	/nfs/dbraw/zinc/81/63/40/568816340.db2.gz	ONHSXYJWBCRKBG-UHFFFAOYSA-N	0	0	442.466	5.870	50	30		IKEARN
CC(C)(C)CC(C)(C)N=C1Nc2ccccc2CNC12CCN(C(=O)OC(C)(C)C)CC2	ZINC000085393209	568817188	/nfs/dbraw/zinc/81/71/88/568817188.db2.gz	DRIGWFDCTVIYSR-UHFFFAOYSA-N	0	0	442.648	5.585	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001450490	568818017	/nfs/dbraw/zinc/81/80/17/568818017.db2.gz	GPZYWWTWTRLGPW-QFIPXVFZSA-N	0	0	446.503	5.072	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(Cl)cc1	ZINC000009308281	568818274	/nfs/dbraw/zinc/81/82/74/568818274.db2.gz	KEZARKHTRSGKPO-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(Br)cc1	ZINC000009307781	568818415	/nfs/dbraw/zinc/81/84/15/568818415.db2.gz	HTSOMEOPNHBHRH-UHFFFAOYSA-N	0	0	430.371	5.406	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1	ZINC000009480259	568818882	/nfs/dbraw/zinc/81/88/82/568818882.db2.gz	DEWONTJQEKMILB-UHFFFAOYSA-N	0	0	441.000	5.813	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009497403	568819035	/nfs/dbraw/zinc/81/90/35/568819035.db2.gz	WXFODMADCUMPFR-UHFFFAOYSA-N	0	0	441.600	6.557	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1	ZINC000009480165	568819040	/nfs/dbraw/zinc/81/90/40/568819040.db2.gz	WSZFERMTWRRLQB-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)ccc1O	ZINC000001461734	568819853	/nfs/dbraw/zinc/81/98/53/568819853.db2.gz	XSCTZCPAUAKLDQ-UHFFFAOYSA-N	0	0	437.580	5.496	50	30		IKEARN
C=CCn1c(SCc2ncc(Cl)n2C)nc2scc(-c3cccs3)c2c1=O	ZINC000015755090	568820403	/nfs/dbraw/zinc/82/04/03/568820403.db2.gz	DSYDMRVUTDWTPB-UHFFFAOYSA-N	0	0	434.999	5.052	50	30		IKEARN
CC(C)NC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1C#N	ZINC000006076992	568820656	/nfs/dbraw/zinc/82/06/56/568820656.db2.gz	XWOBFBAGQFQJHE-UHFFFAOYSA-N	0	0	437.531	5.057	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl	ZINC000013804619	568824140	/nfs/dbraw/zinc/82/41/40/568824140.db2.gz	ZTQLDIWVFKTQIF-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013804958	568824343	/nfs/dbraw/zinc/82/43/43/568824343.db2.gz	XLKNKNPXJSMQGZ-UHFFFAOYSA-N	0	0	434.609	5.776	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCc1ccc(F)cc1Cl	ZINC000013848430	568824344	/nfs/dbraw/zinc/82/43/44/568824344.db2.gz	NSRDELAILZUCKR-UHFFFAOYSA-N	0	0	438.355	6.090	50	30		IKEARN
C(#Cc1ccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)cc1)c1ccccc1	ZINC000013810503	568824353	/nfs/dbraw/zinc/82/43/53/568824353.db2.gz	ZWFKTYACYSXJCJ-UHFFFAOYSA-N	0	0	447.541	7.359	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1	ZINC000014088258	568824838	/nfs/dbraw/zinc/82/48/38/568824838.db2.gz	FWDHVXJHEUTLJM-UHFFFAOYSA-N	0	0	440.783	6.296	50	30		IKEARN
C=CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)nnc1C1CC1	ZINC000014242874	568825598	/nfs/dbraw/zinc/82/55/98/568825598.db2.gz	ANUXJQWHBYZGFG-UHFFFAOYSA-N	0	0	443.576	5.495	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccccc2NC=CC(=O)c2cccc3ccccc32)cc1	ZINC000006101733	568826011	/nfs/dbraw/zinc/82/60/11/568826011.db2.gz	RYGWNMFTJPXJLI-ISLYRVAYSA-N	0	0	442.540	5.758	50	30		IKEARN
C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@H]1CCCO1	ZINC000014994195	568827920	/nfs/dbraw/zinc/82/79/20/568827920.db2.gz	MNOYHYIPFMHJQF-HSZRJFAPSA-N	0	0	448.636	5.343	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cc(C)ccc2C)SC1=S	ZINC000015857090	568828760	/nfs/dbraw/zinc/82/87/60/568828760.db2.gz	BPOOJJIGRJUPKQ-CJLVFECKSA-N	0	0	439.602	5.539	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C)cc1	ZINC000001119025	568833244	/nfs/dbraw/zinc/83/32/44/568833244.db2.gz	GELPHDBJRZZFLE-UHFFFAOYSA-N	0	0	447.589	5.294	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(OC)cc1	ZINC000001112499	568833467	/nfs/dbraw/zinc/83/34/67/568833467.db2.gz	XODYDTWNISKSTM-UHFFFAOYSA-N	0	0	430.533	5.024	50	30		IKEARN
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(OC)cc3)c2c1=O	ZINC000001100420	568833519	/nfs/dbraw/zinc/83/35/19/568833519.db2.gz	HXXXOGGOOKOBDH-UHFFFAOYSA-N	0	0	441.603	5.377	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)SC1=S	ZINC000001215723	568833822	/nfs/dbraw/zinc/83/38/22/568833822.db2.gz	ZWWQNXGKAQKWCX-XDHOZWIPSA-N	0	0	431.966	5.315	50	30		IKEARN
C=C(C)Cn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000001831414	568834309	/nfs/dbraw/zinc/83/43/09/568834309.db2.gz	IJNUEJIBNAPDNG-UHFFFAOYSA-N	0	0	442.628	6.189	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(C)c2c1=O	ZINC000001895158	568834324	/nfs/dbraw/zinc/83/43/24/568834324.db2.gz	HLQLYPQRAVHCRG-UHFFFAOYSA-N	0	0	446.597	5.903	50	30		IKEARN
C=C(C)C(=O)OCCn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC000001506695	568834340	/nfs/dbraw/zinc/83/43/40/568834340.db2.gz	FICYDGXCXDEZAT-UHFFFAOYSA-N	0	0	437.131	5.439	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2	ZINC000002060626	568834379	/nfs/dbraw/zinc/83/43/79/568834379.db2.gz	XBFDZKBQUQMFFI-IBGZPJMESA-N	0	0	436.621	5.686	50	30	biogenic	IKEARN
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060629	568834420	/nfs/dbraw/zinc/83/44/20/568834420.db2.gz	LAKCXVVECRMEIK-UHFFFAOYSA-N	0	0	442.628	6.189	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002117663	568834491	/nfs/dbraw/zinc/83/44/91/568834491.db2.gz	YZSOSKAUPLGZRA-UHFFFAOYSA-N	0	0	442.584	5.391	50	30	biogenic	IKEARN
C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060634	568834501	/nfs/dbraw/zinc/83/45/01/568834501.db2.gz	YMKUACBKVJMHGY-FQEVSTJZSA-N	0	0	448.632	5.524	50	30	biogenic	IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000002119868	568834502	/nfs/dbraw/zinc/83/45/02/568834502.db2.gz	HPZHFLVPEDXEJI-XSFVSMFZSA-N	0	0	427.547	5.065	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC	ZINC000002120050	568834686	/nfs/dbraw/zinc/83/46/86/568834686.db2.gz	YCRSQGDLUVZWJE-XDHOZWIPSA-N	0	0	430.913	5.019	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2	ZINC000002114351	568834692	/nfs/dbraw/zinc/83/46/92/568834692.db2.gz	JXBQPARWZJTDRG-OAQYLSRUSA-N	0	0	438.940	5.304	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1	ZINC000002360271	568835223	/nfs/dbraw/zinc/83/52/23/568835223.db2.gz	HBUDVDLJFRZUIY-INIZCTEOSA-N	0	0	426.611	5.361	50	30		IKEARN
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1	ZINC000002321461	568835245	/nfs/dbraw/zinc/83/52/45/568835245.db2.gz	MFGXXLODTSNCCC-UHFFFAOYSA-N	0	0	435.336	5.796	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002443123	568835729	/nfs/dbraw/zinc/83/57/29/568835729.db2.gz	SMLYEZMEVCNDAS-UHFFFAOYSA-N	0	0	448.636	6.283	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1	ZINC000002453831	568835733	/nfs/dbraw/zinc/83/57/33/568835733.db2.gz	CDNWFZAGURHVRB-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@@H](C)CC)cc1	ZINC000002446223	568835808	/nfs/dbraw/zinc/83/58/08/568835808.db2.gz	VUBZQBOKFPKKCD-SFHVURJKSA-N	0	0	436.581	5.287	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccccc1Cl	ZINC000002449441	568835962	/nfs/dbraw/zinc/83/59/62/568835962.db2.gz	YNMHXZSKQDRXKU-UHFFFAOYSA-N	0	0	441.000	5.858	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002450825	568835996	/nfs/dbraw/zinc/83/59/96/568835996.db2.gz	CMWHYRPUTZPSJU-UHFFFAOYSA-N	0	0	448.636	6.030	50	30		IKEARN
O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000001220858	568836577	/nfs/dbraw/zinc/83/65/77/568836577.db2.gz	MFFDKMQSIXVXRN-AWEZNQCLSA-N	0	0	430.154	5.218	50	30		IKEARN
Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C\c3cccc4ccccc34)cc2)c(C)c1	ZINC000100112335	568841383	/nfs/dbraw/zinc/84/13/83/568841383.db2.gz	UGKHSNURYKHSKY-PKAZHMFMSA-N	0	0	429.541	6.283	50	30		IKEARN
COc1ccc(OC)c([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000015830286	568841438	/nfs/dbraw/zinc/84/14/38/568841438.db2.gz	JBVMGXHEZSZBEG-XMMPIXPASA-N	0	0	443.547	5.399	50	30		IKEARN
O=C(Cc1ccccc1)ON[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	ZINC000003137401	568841799	/nfs/dbraw/zinc/84/17/99/568841799.db2.gz	XCPRKWZJHBFJOP-HNNXBMFYSA-N	0	0	442.557	5.392	50	30		IKEARN
C=C[C@@H](CCC1(CC[C@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1	ZINC000043198818	568842960	/nfs/dbraw/zinc/84/29/60/568842960.db2.gz	VDGIQSSYFMFIRB-GOTSBHOMSA-N	0	0	436.686	7.980	50	30		IKEARN
C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C1SCCS1	ZINC000043762230	568843108	/nfs/dbraw/zinc/84/31/08/568843108.db2.gz	CPGWNLKFCZHRGO-UAMLPYHUSA-N	0	0	442.781	6.439	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NC(N)=S)cc1	ZINC000100815738	568843392	/nfs/dbraw/zinc/84/33/92/568843392.db2.gz	HCGOHCAOJSIHNG-UHFFFAOYSA-N	0	0	440.719	6.597	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(C([O-])=CC(=O)OC)cc1OC	ZINC000101017435	568843529	/nfs/dbraw/zinc/84/35/29/568843529.db2.gz	DUYHAOVVOQOXCC-UHFFFAOYSA-N	0	0	448.644	7.301	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000101016702	568843535	/nfs/dbraw/zinc/84/35/35/568843535.db2.gz	QALMORZYODYPPR-UHFFFAOYSA-N	0	0	440.650	6.697	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C)c(Cl)c1	ZINC000100857243	568843544	/nfs/dbraw/zinc/84/35/44/568843544.db2.gz	NAXNSTNFOZWHIE-UHFFFAOYSA-N	0	0	437.112	9.031	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(C(C)C)cc1	ZINC000100857149	568843545	/nfs/dbraw/zinc/84/35/45/568843545.db2.gz	CMAJCLLOJREWNO-UHFFFAOYSA-N	0	0	430.721	9.193	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(C)=O)c(OCCCCCCCCCC)c1	ZINC000101017598	568843557	/nfs/dbraw/zinc/84/35/57/568843557.db2.gz	KDKJLZBGNQGYGA-UHFFFAOYSA-N	0	0	432.689	8.928	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cc(C)cc1C	ZINC000100857215	568843558	/nfs/dbraw/zinc/84/35/58/568843558.db2.gz	BAKBWFNGSKVPNW-UHFFFAOYSA-N	0	0	430.721	8.995	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1cccc2ccccc21	ZINC000100857246	568843563	/nfs/dbraw/zinc/84/35/63/568843563.db2.gz	PNMUAOMURCMEGO-UHFFFAOYSA-N	0	0	438.700	9.223	50	30		IKEARN
CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1c(CC)cccc1CC	ZINC000101016031	568843565	/nfs/dbraw/zinc/84/35/65/568843565.db2.gz	LDQMDDSVMJXMGB-UHFFFAOYSA-N	0	0	440.628	7.851	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)c1ccc(-c2ccc(C)cc2)cc1	ZINC000101020071	568843709	/nfs/dbraw/zinc/84/37/09/568843709.db2.gz	XRXSLWSINBVLFM-UHFFFAOYSA-N	0	0	434.708	10.106	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N=NCCC)cc1	ZINC000102313770	568843711	/nfs/dbraw/zinc/84/37/11/568843711.db2.gz	IGABVRURLYABEO-XTCLZLMSSA-N	0	0	436.706	7.749	50	30		IKEARN
CN(C)c1ccc(CN=Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1	ZINC000006144490	568846041	/nfs/dbraw/zinc/84/60/41/568846041.db2.gz	CKFUKTAKBTZJTA-WGOQTCKBSA-N	0	0	441.560	5.574	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1csc(C)c1CC	ZINC000017095095	568851148	/nfs/dbraw/zinc/85/11/48/568851148.db2.gz	JJTGKPBNLHANOR-OAHLLOKOSA-N	0	0	426.611	5.033	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O	ZINC000019799667	568855045	/nfs/dbraw/zinc/85/50/45/568855045.db2.gz	VNCULZCXSZTEGR-KEBDBYFISA-N	0	0	441.339	5.666	50	30		IKEARN
O=C(Cc1csc(-c2ccccc2Cl)n1)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000024986191	568861048	/nfs/dbraw/zinc/86/10/48/568861048.db2.gz	NTLZOMOFGOMKOP-UHFFFAOYSA-N	0	0	434.870	5.193	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1ccc(Br)cc1	ZINC000027015918	568862908	/nfs/dbraw/zinc/86/29/08/568862908.db2.gz	CGAQXGVRCMLNQF-FLFQWRMESA-N	0	0	442.382	5.664	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000016035549	568867470	/nfs/dbraw/zinc/86/74/70/568867470.db2.gz	HHZWEWRVUSDVMJ-UHFFFAOYSA-N	0	0	431.557	5.652	50	30		IKEARN
N=C(Nc1ccc(Br)cc1)Nc1nc(-c2cccs2)cc(C(F)(F)F)n1	ZINC000006189600	568872774	/nfs/dbraw/zinc/87/27/74/568872774.db2.gz	IOOLKROBPQLDKM-UHFFFAOYSA-N	0	0	442.264	5.045	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC	ZINC000006196508	568877050	/nfs/dbraw/zinc/87/70/50/568877050.db2.gz	LVACMOLCSLTQMM-VWLOTQADSA-N	0	0	446.547	5.009	50	30		IKEARN
Cc1cccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)c1C	ZINC000016349946	568877571	/nfs/dbraw/zinc/87/75/71/568877571.db2.gz	SMTBYDUUOASGDS-HYOGKJQXSA-N	0	0	437.587	5.683	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1	ZINC000006246079	568880786	/nfs/dbraw/zinc/88/07/86/568880786.db2.gz	PHOPGGLGXPJYTM-UHFFFAOYSA-N	0	0	426.972	7.541	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009477490	568883519	/nfs/dbraw/zinc/88/35/19/568883519.db2.gz	IDCWOTQNBMNRCN-QFIPXVFZSA-N	0	0	448.906	5.307	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1cc(-c3cccnc3)nc3ccc(Cl)cc31)CCC2	ZINC000016392740	568887336	/nfs/dbraw/zinc/88/73/36/568887336.db2.gz	NATQKXWTXGIRAI-UHFFFAOYSA-N	0	0	430.920	5.624	50	30		IKEARN
CCOC(=O)c1sc(NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C	ZINC000016393213	568887362	/nfs/dbraw/zinc/88/73/62/568887362.db2.gz	FEKBIOLQGRQXGS-MRXNPFEDSA-N	0	0	434.517	5.178	50	30		IKEARN
COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1	ZINC000006405853	568894095	/nfs/dbraw/zinc/89/40/95/568894095.db2.gz	IJFPXVMYMODRCG-UHFFFAOYSA-N	0	0	434.948	6.135	50	30		IKEARN
COc1cccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)c1	ZINC000016035548	568894105	/nfs/dbraw/zinc/89/41/05/568894105.db2.gz	QEKOUUOOWCAIBD-RIYZIHGNSA-N	0	0	431.488	6.589	50	30		IKEARN
COc1ccc(C(=O)Nc2cccc(/C=C/C(=O)c3ccc(C4CCCCC4)cc3)c2)cc1	ZINC000016043744	568894163	/nfs/dbraw/zinc/89/41/63/568894163.db2.gz	XTFSPLAWAJLSRN-VXLYETTFSA-N	0	0	439.555	6.891	50	30		IKEARN
CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3c(Cl)cccc3Cl)cc2)CC1	ZINC000015981707	568894181	/nfs/dbraw/zinc/89/41/81/568894181.db2.gz	FCXHOLGXYQNDCZ-MDZDMXLPSA-N	0	0	438.376	5.310	50	30		IKEARN
COc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1	ZINC000033665644	568896163	/nfs/dbraw/zinc/89/61/63/568896163.db2.gz	NJORMWDVDORMNK-YKRMCXMESA-N	0	0	440.543	6.073	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c(F)c1	ZINC000016448736	568903045	/nfs/dbraw/zinc/90/30/45/568903045.db2.gz	ZSGCDCJEAYYILR-UHFFFAOYSA-N	0	0	426.234	6.065	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cccc2ccccc21	ZINC000001746454	568904194	/nfs/dbraw/zinc/90/41/94/568904194.db2.gz	TURGZWLOPUYJMP-UHFFFAOYSA-N	0	0	440.593	6.757	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2C1	ZINC000001771060	568905947	/nfs/dbraw/zinc/90/59/47/568905947.db2.gz	BIZJNXZVDYTJMX-HNNXBMFYSA-N	0	0	428.513	5.062	50	30		IKEARN
C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	ZINC000001779968	568906781	/nfs/dbraw/zinc/90/67/81/568906781.db2.gz	PZUSPQBDJAMQJW-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
Cc1sc(NC(=O)COc2ccc(Br)cc2C)c(C#N)c1-c1ccccc1	ZINC000001787380	568907097	/nfs/dbraw/zinc/90/70/97/568907097.db2.gz	RJICDRZRACOCQG-UHFFFAOYSA-N	0	0	441.350	5.684	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C	ZINC000006444558	568907321	/nfs/dbraw/zinc/90/73/21/568907321.db2.gz	PTHVLYUCAXUJBI-DEOSSOPVSA-N	0	0	430.548	5.246	50	30		IKEARN
CCCc1ccc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)cc1	ZINC000001792340	568908014	/nfs/dbraw/zinc/90/80/14/568908014.db2.gz	GMAGJCSNHDCCPL-UHFFFAOYSA-N	0	0	426.607	5.978	50	30		IKEARN
COc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O	ZINC000001806353	568908682	/nfs/dbraw/zinc/90/86/82/568908682.db2.gz	SKQZYKUMJZFEOV-MZJWZYIUSA-N	0	0	428.875	6.766	50	30		IKEARN
N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1SCCc1ccccc1	ZINC000001806636	568908738	/nfs/dbraw/zinc/90/87/38/568908738.db2.gz	QMJYBINVEDJZAY-UHFFFAOYSA-N	0	0	426.972	7.275	50	30		IKEARN
CCCCCCc1cc2cc(-c3csc(/N=C/c4ccccc4)n3)c(=O)oc2cc1O	ZINC000001813316	568915452	/nfs/dbraw/zinc/91/54/52/568915452.db2.gz	FPFCLQTZRHDPKQ-CVKSISIWSA-N	0	0	432.545	6.496	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)ccc1O	ZINC000001830375	568916053	/nfs/dbraw/zinc/91/60/53/568916053.db2.gz	OMQQQKGMCLCRJR-PXNMLYILSA-N	0	0	442.846	5.355	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1	ZINC000001878387	568917167	/nfs/dbraw/zinc/91/71/67/568917167.db2.gz	OYMUASZMFJSUGE-HGAXPLMXSA-N	0	0	438.270	7.126	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/c4cccc(Cl)c4)ccc3o2)cc1Br	ZINC000001883673	568917502	/nfs/dbraw/zinc/91/75/02/568917502.db2.gz	ZGLVOIDCNPTHIT-WYMPLXKRSA-N	0	0	441.712	6.670	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1	ZINC000006462305	568918611	/nfs/dbraw/zinc/91/86/11/568918611.db2.gz	GIMBHBUJZDYZDL-IMVGLAPISA-N	0	0	437.569	5.977	50	30		IKEARN
Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2/C=C/C(=O)c2ccccc2)cc1	ZINC000001902903	568918652	/nfs/dbraw/zinc/91/86/52/568918652.db2.gz	SWUMXSRWWQVLQO-GHUONELISA-N	0	0	434.560	7.431	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1	ZINC000001922401	568923353	/nfs/dbraw/zinc/92/33/53/568923353.db2.gz	SWOFXPMZCKNEKO-BZCVXYEQSA-N	0	0	433.305	6.682	50	30		IKEARN
Clc1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1	ZINC000001946594	568923698	/nfs/dbraw/zinc/92/36/98/568923698.db2.gz	PSOZKQIGMSJVFV-ZOMGDLOTSA-N	0	0	427.718	7.871	50	30		IKEARN
COc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3OC)cc2)cc1	ZINC000001952293	568923838	/nfs/dbraw/zinc/92/38/38/568923838.db2.gz	XDCSJIINVFSPAY-OQIGUVFWSA-N	0	0	434.539	6.796	50	30		IKEARN
O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1ccc(Cl)cc1Cl	ZINC000001957513	568923930	/nfs/dbraw/zinc/92/39/30/568923930.db2.gz	FVNQJZBOHANRCQ-KTZMUZOWSA-N	0	0	434.735	5.967	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccnc1	ZINC000018121949	568929670	/nfs/dbraw/zinc/92/96/70/568929670.db2.gz	VRJMRNQSILBZHL-HHHXNRCGSA-N	0	0	437.543	5.467	50	30	biogenic	IKEARN
CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)c2c1	ZINC000064473979	568930056	/nfs/dbraw/zinc/93/00/56/568930056.db2.gz	OQKKQBUQAMDXTF-UHFFFAOYSA-N	0	0	436.918	5.316	50	30		IKEARN
N#Cc1cnc2ccc(Cl)cc2c1N1CCC(C(=O)Nc2ccc3c(c2)CCC3)CC1	ZINC000064473813	568930576	/nfs/dbraw/zinc/93/05/76/568930576.db2.gz	UPFTZROVTZSUMQ-UHFFFAOYSA-N	0	0	430.939	5.104	50	30		IKEARN
CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c1C#N	ZINC000002064194	568941200	/nfs/dbraw/zinc/94/12/00/568941200.db2.gz	GDSOBLGFLOHVMT-UHFFFAOYSA-N	0	0	445.975	6.319	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000036059993	568944707	/nfs/dbraw/zinc/94/47/07/568944707.db2.gz	BYXZAQQCRJRABN-ZNZIZOMTSA-N	0	0	449.941	5.933	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000006733085	568968549	/nfs/dbraw/zinc/96/85/49/568968549.db2.gz	NXIUQVDDGSOMDX-JOCHJYFZSA-N	0	0	427.548	5.848	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2	ZINC000006733090	568968581	/nfs/dbraw/zinc/96/85/81/568968581.db2.gz	DDAVMLKZRZNXQT-QFIPXVFZSA-N	0	0	427.548	5.984	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c([nH]nc2-c2ccc(C)cc2)NC2=C1C(=O)CC(C)(C)C2	ZINC000006733091	568968741	/nfs/dbraw/zinc/96/87/41/568968741.db2.gz	DDAVMLKZRZNXQT-JOCHJYFZSA-N	0	0	427.548	5.984	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1	ZINC000006782337	568985246	/nfs/dbraw/zinc/98/52/46/568985246.db2.gz	SRCXWQQPKIWNSF-VWLOTQADSA-N	0	0	425.528	5.631	50	30	biogenic	IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2	ZINC000169683832	569000210	/nfs/dbraw/zinc/00/02/10/569000210.db2.gz	CWPKVJRKDYJFFN-OEOHJPKBSA-N	0	0	433.382	7.879	50	30		IKEARN
Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)c2c1	ZINC000065034383	569092013	/nfs/dbraw/zinc/09/20/13/569092013.db2.gz	WFDGQIUYXHFOGB-UHFFFAOYSA-N	0	0	438.453	5.289	50	30		IKEARN
CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1	ZINC000006995583	569116689	/nfs/dbraw/zinc/11/66/89/569116689.db2.gz	IXZSHYIACBWIFQ-UPKFUJAESA-N	0	0	429.604	6.881	50	30		IKEARN
Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(Cl)ccc3C#N)c12	ZINC000036615798	569122660	/nfs/dbraw/zinc/12/26/60/569122660.db2.gz	RMFCGZVBTKDEAE-UHFFFAOYSA-N	0	0	427.895	5.384	50	30		IKEARN
COc1ccc(-c2cc(C(F)F)nc(Nc3sc4c(c3C#N)CCCC4)n2)cc1OC	ZINC000036613668	569123955	/nfs/dbraw/zinc/12/39/55/569123955.db2.gz	SFFNXGXGTBBPOK-UHFFFAOYSA-N	0	0	442.491	5.654	50	30		IKEARN
CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000253537477	569125667	/nfs/dbraw/zinc/12/56/67/569125667.db2.gz	DOMWKUIIPQCAJU-ZHSJGXMJSA-N	0	0	428.613	5.970	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)N2CCN(c3oc(/C=C/c4cccs4)nc3C#N)CC2)cc1	ZINC000036629267	569127123	/nfs/dbraw/zinc/12/71/23/569127123.db2.gz	GOXPVVIIQFTAGJ-ZHACJKMWSA-N	0	0	446.576	5.038	50	30		IKEARN
COc1cccc(N=C(C=C2N(C)c3ccccc3N2C)SCc2ccc(C)cc2)c1	ZINC000588055448	569140285	/nfs/dbraw/zinc/14/02/85/569140285.db2.gz	WGYCIRSKDDMZLC-UHFFFAOYSA-N	0	0	429.589	6.395	50	30		IKEARN
CC(C)(C)c1csc([C@@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CCO2)n1	ZINC000170621100	569147908	/nfs/dbraw/zinc/14/79/08/569147908.db2.gz	MOPCDSXILNKFAP-KRWDZBQOSA-N	0	0	444.507	5.040	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)OC)o2)nc2scc(-c3cccs3)c2c1=O	ZINC000009883539	569150136	/nfs/dbraw/zinc/15/01/36/569150136.db2.gz	LODBQIIEKSLDTD-UHFFFAOYSA-N	0	0	444.559	5.044	50	30		IKEARN
N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2cccs2)cc1C(F)(F)F	ZINC000013573897	569155744	/nfs/dbraw/zinc/15/57/44/569155744.db2.gz	MEOXEEVLNODEMU-UHFFFAOYSA-N	0	0	435.408	5.572	50	30		IKEARN
N#Cc1c(Sc2ccc([N+](=O)[O-])cc2C=O)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000013574010	569155774	/nfs/dbraw/zinc/15/57/74/569155774.db2.gz	CATAJELJMMXTTG-UHFFFAOYSA-N	0	0	429.379	5.511	50	30		IKEARN
Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)c1cc(Br)cnc1Cl	ZINC000089589202	569159587	/nfs/dbraw/zinc/15/95/87/569159587.db2.gz	UAFPFQAAMAEANS-UHFFFAOYSA-N	0	0	443.688	5.117	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1	ZINC000014605389	569159598	/nfs/dbraw/zinc/15/95/98/569159598.db2.gz	GDMYJMAPRZGDDJ-AREMUKBSSA-N	0	0	431.580	5.075	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Br)cc2)nc1SCc1ccccc1	ZINC000016732268	569160528	/nfs/dbraw/zinc/16/05/28/569160528.db2.gz	OCNTUXGHHVYKDU-UHFFFAOYSA-N	0	0	449.295	6.694	50	30		IKEARN
N#Cc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc43)cc12	ZINC000016841193	569162666	/nfs/dbraw/zinc/16/26/66/569162666.db2.gz	SEQIYKJWBFGWPV-UHFFFAOYSA-N	0	0	435.512	5.152	50	30		IKEARN
C=CCn1s/c(=N\C(=N\c2ccccc2)c2ccccc2)n(Cc2ccccc2)c1=S	ZINC000016890326	569165506	/nfs/dbraw/zinc/16/55/06/569165506.db2.gz	FOVOXINAXRBTJL-YZYVWJRPSA-N	0	0	442.613	5.994	50	30		IKEARN
C[C@@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1	ZINC000089904488	569167114	/nfs/dbraw/zinc/16/71/14/569167114.db2.gz	MKEZSPQIFMKQBD-CYBMUJFWSA-N	0	0	445.375	5.366	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)cc(-c3ccccc3)c2C#N)c(C)c1	ZINC000002074118	569171270	/nfs/dbraw/zinc/17/12/70/569171270.db2.gz	IFZMNJPQEJZLCD-UHFFFAOYSA-N	0	0	429.589	6.265	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1	ZINC000017097179	569173188	/nfs/dbraw/zinc/17/31/88/569173188.db2.gz	INKNDIJRHADGJW-JOCHJYFZSA-N	0	0	430.577	5.537	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(Cl)cc1	ZINC000017145570	569174624	/nfs/dbraw/zinc/17/46/24/569174624.db2.gz	LBSGRTAVMWOUBO-FQEVSTJZSA-N	0	0	448.872	6.045	50	30		IKEARN
Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)c(Cl)c1	ZINC000008958794	569174629	/nfs/dbraw/zinc/17/46/29/569174629.db2.gz	BZOMXYIEJCRHKY-DHRITJCHSA-N	0	0	440.359	5.821	50	30		IKEARN
Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000002087347	569177371	/nfs/dbraw/zinc/17/73/71/569177371.db2.gz	MLPPBXWEZNLMTN-INIZCTEOSA-N	0	0	445.028	6.530	50	30		IKEARN
Cc1cc(Cl)ccc1OCCCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000002087351	569177383	/nfs/dbraw/zinc/17/73/83/569177383.db2.gz	MLPPBXWEZNLMTN-MRXNPFEDSA-N	0	0	445.028	6.530	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1	ZINC000002086280	569177392	/nfs/dbraw/zinc/17/73/92/569177392.db2.gz	VQPVWWRIJNKDHO-GFCCVEGCSA-N	0	0	431.945	5.975	50	30		IKEARN
N#CCCn1cc(C(=O)Nc2ccccc2Cl)c(-c2ccc(Br)cc2)n1	ZINC000003356973	569177819	/nfs/dbraw/zinc/17/78/19/569177819.db2.gz	WQHGUSKWVGQIGG-UHFFFAOYSA-N	0	0	429.705	5.132	50	30		IKEARN
CCCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21	ZINC000002313158	569180752	/nfs/dbraw/zinc/18/07/52/569180752.db2.gz	PSNXDSMYOAPOQM-UHFFFAOYSA-N	0	0	440.381	7.182	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccco1	ZINC000002522890	569180894	/nfs/dbraw/zinc/18/08/94/569180894.db2.gz	UYQKKRFHYUXPFJ-UHFFFAOYSA-N	0	0	442.850	5.127	50	30		IKEARN
C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)cc2OC)C3=O)cc1	ZINC000002107037	569181213	/nfs/dbraw/zinc/18/12/13/569181213.db2.gz	DYSUGTCDMNCRCS-ZMFRSBBQSA-N	0	0	444.483	5.551	50	30	biogenic	IKEARN
CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1	ZINC000252430996	569183558	/nfs/dbraw/zinc/18/35/58/569183558.db2.gz	XLLVCEWUWMRFCJ-QBCHSUENSA-N	0	0	443.635	6.570	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O	ZINC000002128142	569184161	/nfs/dbraw/zinc/18/41/61/569184161.db2.gz	FRBVDOPMDIZHET-IZVPMIMASA-N	0	0	444.870	5.883	50	30	biogenic	IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O	ZINC000002127921	569184162	/nfs/dbraw/zinc/18/41/62/569184162.db2.gz	REVLGCJWUCABLD-JXZJKOHESA-N	0	0	436.463	5.629	50	30	biogenic	IKEARN
C=CCN1c2ccccc2C(=Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O	ZINC000252460170	569184433	/nfs/dbraw/zinc/18/44/33/569184433.db2.gz	CGLWHPDRLXTWGC-UHFFFAOYSA-N	0	0	441.556	5.533	50	30		IKEARN
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1	ZINC000002150318	569187290	/nfs/dbraw/zinc/18/72/90/569187290.db2.gz	YRGLKFYABDJLHS-DNRQZRRGSA-N	0	0	426.626	7.026	50	30		IKEARN
Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@H]2c2ccccc2)cc1	ZINC000002151247	569187301	/nfs/dbraw/zinc/18/73/01/569187301.db2.gz	OOGDDBUSRLZRGE-RUZDIDTESA-N	0	0	434.539	5.659	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)Nc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)s2)cc1	ZINC000002152907	569187313	/nfs/dbraw/zinc/18/73/13/569187313.db2.gz	JMLURHTWOJNDFZ-UHFFFAOYSA-N	0	0	439.522	5.019	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1	ZINC000002181406	569190420	/nfs/dbraw/zinc/19/04/20/569190420.db2.gz	HEYJXCVXRKZQCY-YDZHTSKRSA-N	0	0	448.529	5.686	50	30		IKEARN
Cc1ccc(C(=O)CSc2nsc(SCC(=O)c3ccc(C)cc3)c2C#N)cc1	ZINC000002190302	569190521	/nfs/dbraw/zinc/19/05/21/569190521.db2.gz	IZLDKTMEMDTULS-UHFFFAOYSA-N	0	0	438.599	5.582	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1	ZINC000002184911	569190528	/nfs/dbraw/zinc/19/05/28/569190528.db2.gz	XAJZRDVQUQZTAJ-HAHDFKILSA-N	0	0	430.529	5.474	50	30		IKEARN
C=C(C)Cn1c(SCCCCCC)nc2ccc(I)cc2c1=O	ZINC000002195145	569191340	/nfs/dbraw/zinc/19/13/40/569191340.db2.gz	HILJIQAGUHKNOO-UHFFFAOYSA-N	0	0	442.366	5.250	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1	ZINC000252590152	569191735	/nfs/dbraw/zinc/19/17/35/569191735.db2.gz	APVAUAKEHDSZPH-UYJNXHFOSA-N	0	0	442.584	6.370	50	30		IKEARN
CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252588673	569191749	/nfs/dbraw/zinc/19/17/49/569191749.db2.gz	ADJNNHIPEIGAFE-SIFMURAYSA-N	0	0	428.557	6.511	50	30		IKEARN
N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1	ZINC000002209912	569191982	/nfs/dbraw/zinc/19/19/82/569191982.db2.gz	GPTHYBLLJPHJBE-UHFFFAOYSA-N	0	0	432.936	5.664	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(Cl)cc1	ZINC000252591344	569192619	/nfs/dbraw/zinc/19/26/19/569192619.db2.gz	BAANWNOMPLSDIT-NYAPYVNCSA-N	0	0	445.997	5.733	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(CCOC)C1=O	ZINC000252592753	569192651	/nfs/dbraw/zinc/19/26/51/569192651.db2.gz	BGOFCPTWTLESKZ-CMEWOCMCSA-N	0	0	432.545	5.489	50	30		IKEARN
COc1cc(Br)c(N=Cc2c(O)ccc3ccccc32)c(Br)c1	ZINC000252591641	569192740	/nfs/dbraw/zinc/19/27/40/569192740.db2.gz	BBRUFZNOVWWGMQ-UHFFFAOYSA-N	0	0	435.115	5.830	50	30		IKEARN
CCN1C(=O)/C(=C/C=C2\Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl	ZINC000252593057	569192808	/nfs/dbraw/zinc/19/28/08/569192808.db2.gz	BISOAEKHCGVFAS-NPGUWRAMSA-N	0	0	442.009	6.280	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1nc(-c2ccccc2)cn1N=Cc1ccccc1	ZINC000252593843	569192832	/nfs/dbraw/zinc/19/28/32/569192832.db2.gz	BNBBLDQDZZCMRB-UHFFFAOYSA-N	0	0	445.320	5.651	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O	ZINC000002203226	569192862	/nfs/dbraw/zinc/19/28/62/569192862.db2.gz	HCJVAUWBSSUGAA-RNBXEWBNSA-N	0	0	448.877	6.382	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1	ZINC000252594020	569192950	/nfs/dbraw/zinc/19/29/50/569192950.db2.gz	BONVVIFJTJKCFX-ZYITZIQLSA-N	0	0	446.597	6.221	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1	ZINC000252593816	569192959	/nfs/dbraw/zinc/19/29/59/569192959.db2.gz	BMJXXZBZQDANFB-SIFMURAYSA-N	0	0	444.556	5.551	50	30		IKEARN
CCOc1ccc(-c2nc3cc(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1	ZINC000252594797	569192978	/nfs/dbraw/zinc/19/29/78/569192978.db2.gz	BUOBPTIRIAHSKR-UHFFFAOYSA-N	0	0	431.404	5.281	50	30		IKEARN
O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C\c1cccc(C(F)(F)F)c1	ZINC000252594876	569193022	/nfs/dbraw/zinc/19/30/22/569193022.db2.gz	BWLFGIDXLHWSEC-YFYSXSMZSA-N	0	0	444.265	5.606	50	30		IKEARN
C=CCN1c2ccccc2/C(=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)C1=O	ZINC000252595046	569193074	/nfs/dbraw/zinc/19/30/74/569193074.db2.gz	BXXRDAYKUQBRGG-SHXUIJRESA-N	0	0	437.524	5.398	50	30		IKEARN
O=C1/C(=C/c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1	ZINC000252594496	569193090	/nfs/dbraw/zinc/19/30/90/569193090.db2.gz	BSOCMNASONXDMO-XOLKAKTPSA-N	0	0	449.373	6.253	50	30		IKEARN
Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1	ZINC000252598486	569193145	/nfs/dbraw/zinc/19/31/45/569193145.db2.gz	DBRLQGAIQIOXTM-UHFFFAOYSA-N	0	0	442.354	5.358	50	30		IKEARN
COc1ccc(-c2nc3cc(N=Cc4cc(C)cc(Br)c4O)ccc3o2)cc1	ZINC000252596204	569193209	/nfs/dbraw/zinc/19/32/09/569193209.db2.gz	CHEYKAZUNKETNI-UHFFFAOYSA-N	0	0	437.293	6.031	50	30		IKEARN
CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1	ZINC000252599485	569193507	/nfs/dbraw/zinc/19/35/07/569193507.db2.gz	DJXCHFFEDDAQMU-LJQANCHMSA-N	0	0	429.973	5.409	50	30		IKEARN
Clc1ccc2c(c1)[C@@H](N1CCN(N=Cc3ccccc3)CC1)Cc1ccccc1S2	ZINC000252599693	569193522	/nfs/dbraw/zinc/19/35/22/569193522.db2.gz	DKCQAMZCNYTQPS-QHCPKHFHSA-N	0	0	434.008	5.740	50	30		IKEARN
S=C1C(=Nc2ccccc2)N(c2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252598732	569193541	/nfs/dbraw/zinc/19/35/41/569193541.db2.gz	DCWAWJOUIVROSI-UHFFFAOYSA-N	0	0	432.552	6.759	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O	ZINC000252600218	569193599	/nfs/dbraw/zinc/19/35/99/569193599.db2.gz	DOXSPKCVVIJEHS-UHFFFAOYSA-N	0	0	441.256	5.861	50	30		IKEARN
O=[N+]([O-])c1ccccc1/C=C\C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000252601040	569193737	/nfs/dbraw/zinc/19/37/37/569193737.db2.gz	DXECUDDQLCOJBO-DHJYBLJNSA-N	0	0	438.270	7.126	50	30		IKEARN
COc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252601952	569193878	/nfs/dbraw/zinc/19/38/78/569193878.db2.gz	FEMIEZRCXCANGU-SBEYKLCGSA-N	0	0	436.536	6.657	50	30		IKEARN
COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252601951	569193981	/nfs/dbraw/zinc/19/39/81/569193981.db2.gz	FEMIEZRCXCANGU-OFGWUVNBSA-N	0	0	436.536	6.657	50	30		IKEARN
CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1	ZINC000252603477	569194184	/nfs/dbraw/zinc/19/41/84/569194184.db2.gz	FSAKZRQTWREXPL-FNLGWUMESA-N	0	0	447.354	5.177	50	30		IKEARN
CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1	ZINC000252604387	569194390	/nfs/dbraw/zinc/19/43/90/569194390.db2.gz	FZFSZHXVPDKCMF-SSEXGKCCSA-N	0	0	445.566	7.192	50	30		IKEARN
C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1	ZINC000252609019	569195344	/nfs/dbraw/zinc/19/53/44/569195344.db2.gz	HPFLMCQXCXPFDO-YTGHUJMRSA-N	0	0	438.534	5.145	50	30		IKEARN
CC(C)c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1	ZINC000252611033	569197288	/nfs/dbraw/zinc/19/72/88/569197288.db2.gz	IGFFUMXCISPLTO-UHFFFAOYSA-N	0	0	433.535	5.314	50	30		IKEARN
CCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252615176	569197535	/nfs/dbraw/zinc/19/75/35/569197535.db2.gz	JQFLEOSSGQGCKX-QQAFOXPBSA-N	0	0	426.538	5.117	50	30		IKEARN
CCCCCCCCCNC(=O)c1ccc(N=Cc2ccc(Br)cc2)cc1	ZINC000252615391	569197570	/nfs/dbraw/zinc/19/75/70/569197570.db2.gz	JRUKIOYWSBEBTC-UHFFFAOYSA-N	0	0	429.402	6.680	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1	ZINC000252616903	569197609	/nfs/dbraw/zinc/19/76/09/569197609.db2.gz	KIDYNMCMMLZZCH-FUSVKQJLSA-N	0	0	449.488	5.487	50	30		IKEARN
N=C(NN=C1c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccccc1Cl	ZINC000252617063	569197680	/nfs/dbraw/zinc/19/76/80/569197680.db2.gz	KLMQZKAIVVHJGY-UHFFFAOYSA-N	0	0	434.952	5.049	50	30		IKEARN
COc1cccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O	ZINC000252616695	569197696	/nfs/dbraw/zinc/19/76/96/569197696.db2.gz	KDRHSIVWJBNKAY-IYAWTGHFSA-N	0	0	430.529	5.248	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn43)o2)c1	ZINC000252619165	569198179	/nfs/dbraw/zinc/19/81/79/569198179.db2.gz	LNQWIURCBDNZKW-UHFFFAOYSA-N	0	0	432.823	6.167	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1	ZINC000252620710	569199333	/nfs/dbraw/zinc/19/93/33/569199333.db2.gz	MKGALFJXTVPANF-FNLGWUMESA-N	0	0	431.355	5.254	50	30		IKEARN
Cc1cccc(N=C2S/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C	ZINC000252620928	569201647	/nfs/dbraw/zinc/20/16/47/569201647.db2.gz	MPHGYVPESXJXRT-RNBDAGHHSA-N	0	0	440.366	5.781	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000252622071	569201716	/nfs/dbraw/zinc/20/17/16/569201716.db2.gz	NOASPRHBQUYARN-WXFUMESZSA-N	0	0	436.902	5.019	50	30		IKEARN
CCc1ccc(/C=C2\SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1	ZINC000252621894	569201719	/nfs/dbraw/zinc/20/17/19/569201719.db2.gz	NJKRWTLERJDADA-AEALBBRZSA-N	0	0	440.612	7.291	50	30		IKEARN
C(=Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1	ZINC000252621911	569201754	/nfs/dbraw/zinc/20/17/54/569201754.db2.gz	NJYHHTCFAHCIPJ-VSGBNLITSA-N	0	0	428.579	7.315	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1ccccc1N=Cc1c(O)ccc2ccccc21	ZINC000252622973	569201897	/nfs/dbraw/zinc/20/18/97/569201897.db2.gz	OGXFNOMCIFLQRW-UHFFFAOYSA-N	0	0	445.316	6.515	50	30		IKEARN
CCCOc1ccccc1/C=C1\SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O	ZINC000252623334	569201982	/nfs/dbraw/zinc/20/19/82/569201982.db2.gz	OOPHUGDEBSWVEU-SBEYKLCGSA-N	0	0	442.584	6.901	50	30		IKEARN
CCOC(=O)C(=NNc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1	ZINC000252622893	569202011	/nfs/dbraw/zinc/20/20/11/569202011.db2.gz	OFDGIRDYFFEQAE-UHFFFAOYSA-N	0	0	449.532	5.217	50	30		IKEARN
COc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000252623758	569202157	/nfs/dbraw/zinc/20/21/57/569202157.db2.gz	OYOOXVFUTXGTNZ-XKEFNESHSA-N	0	0	430.529	5.826	50	30		IKEARN
C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	ZINC000002213586	569202169	/nfs/dbraw/zinc/20/21/69/569202169.db2.gz	XCZYEMIWKUQXCK-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
Cc1ccc2c(c1)/C(=C1\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2	ZINC000252624121	569202477	/nfs/dbraw/zinc/20/24/77/569202477.db2.gz	PGTGMJXKKDIUMY-OHHJCTMOSA-N	0	0	439.540	5.743	50	30		IKEARN
N=C(NN=C1c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccc(Cl)cc1	ZINC000252625106	569203055	/nfs/dbraw/zinc/20/30/55/569203055.db2.gz	QDLCINIVFFODFR-UHFFFAOYSA-N	0	0	434.952	5.049	50	30		IKEARN
CSC1=NC(=Nc2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1	ZINC000252625552	569203164	/nfs/dbraw/zinc/20/31/64/569203164.db2.gz	QMMYSSIOPBBGDF-UHFFFAOYSA-N	0	0	442.426	6.730	50	30		IKEARN
C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000252625346	569203175	/nfs/dbraw/zinc/20/31/75/569203175.db2.gz	QHSOFLQDNNTTDE-KWTYBBJMSA-N	0	0	430.460	6.081	50	30		IKEARN
Cc1cc2nc(-c3cccc(N=C/C=C/c4cccc(Br)c4)c3)oc2c(C)c1	ZINC000252625964	569203177	/nfs/dbraw/zinc/20/31/77/569203177.db2.gz	QTDZWJFNXCCVQT-NEFBHXCRSA-N	0	0	431.333	7.290	50	30		IKEARN
Cc1[nH]nc(N=Cc2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1	ZINC000252625991	569203179	/nfs/dbraw/zinc/20/31/79/569203179.db2.gz	QTOZMAVBNFKXQP-UHFFFAOYSA-N	0	0	446.348	6.477	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1	ZINC000252625503	569203181	/nfs/dbraw/zinc/20/31/81/569203181.db2.gz	QLLQUGNDJAOTRH-QHOMEFQRSA-N	0	0	435.343	5.455	50	30		IKEARN
C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000252625347	569203213	/nfs/dbraw/zinc/20/32/13/569203213.db2.gz	QHSOFLQDNNTTDE-NAADTMHKSA-N	0	0	430.460	6.081	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC	ZINC000252626180	569203292	/nfs/dbraw/zinc/20/32/92/569203292.db2.gz	QXYJCFCFJPHJHK-GCNWNYGFSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O	ZINC000252627159	569203408	/nfs/dbraw/zinc/20/34/08/569203408.db2.gz	RNUUUNQDFWLRLC-VASVRFFCSA-N	0	0	436.920	5.863	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C	ZINC000252626888	569203420	/nfs/dbraw/zinc/20/34/20/569203420.db2.gz	RHQRPBLOUIICFI-ZCFNVVKZSA-N	0	0	445.500	6.169	50	30		IKEARN
COc1cc(C=Nc2cccc3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000252627119	569203421	/nfs/dbraw/zinc/20/34/21/569203421.db2.gz	RNBUMJQTGZZVIV-UHFFFAOYSA-N	0	0	443.415	6.208	50	30		IKEARN
CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000252626801	569203436	/nfs/dbraw/zinc/20/34/36/569203436.db2.gz	RFVVUCLNNPKHOI-MLSYBWHESA-N	0	0	444.556	6.216	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252627218	569203515	/nfs/dbraw/zinc/20/35/15/569203515.db2.gz	RPATUCQHNBLEPW-RPAYCJQNSA-N	0	0	425.307	5.851	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252627381	569203524	/nfs/dbraw/zinc/20/35/24/569203524.db2.gz	RTCHOQLYFPLBED-SBEYKLCGSA-N	0	0	442.584	6.629	50	30		IKEARN
CCOc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1	ZINC000252627400	569203543	/nfs/dbraw/zinc/20/35/43/569203543.db2.gz	RTLJLZDGBLFTKC-AWAAXKIWSA-N	0	0	426.538	5.117	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C	ZINC000252628282	569203641	/nfs/dbraw/zinc/20/36/41/569203641.db2.gz	SMPFGNYZGGTKIK-FQEVSTJZSA-N	0	0	441.984	5.412	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000252628450	569203664	/nfs/dbraw/zinc/20/36/64/569203664.db2.gz	SQKWGNBLDPPRJC-UYJNXHFOSA-N	0	0	443.616	6.677	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)SC1=Nc1cc(Cl)ccc1C	ZINC000252628283	569203682	/nfs/dbraw/zinc/20/36/82/569203682.db2.gz	SMPFGNYZGGTKIK-HXUWFJFHSA-N	0	0	441.984	5.412	50	30		IKEARN
O=C(CSc1ccc(C=Nc2ccc3c(c2)oc2ccccc23)o1)Nc1ccccc1	ZINC000252629229	569203783	/nfs/dbraw/zinc/20/37/83/569203783.db2.gz	UBRRRJDLUZYDGE-UHFFFAOYSA-N	0	0	426.497	6.660	50	30		IKEARN
COc1ccc(N=C2SC(=NNc3ccccc3)SC2=Nc2ccc(OC)cc2)cc1	ZINC000252628843	569203790	/nfs/dbraw/zinc/20/37/90/569203790.db2.gz	SZIBCHBDYJGDJV-UHFFFAOYSA-N	0	0	448.573	6.327	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O	ZINC000252628826	569203806	/nfs/dbraw/zinc/20/38/06/569203806.db2.gz	SYSLHZGKUNLUIS-FJGBOTQNSA-N	0	0	442.968	5.522	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252629578	569203950	/nfs/dbraw/zinc/20/39/50/569203950.db2.gz	UJJWFTAXTQKUBM-SIFMURAYSA-N	0	0	428.557	6.326	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc21	ZINC000252630221	569204125	/nfs/dbraw/zinc/20/41/25/569204125.db2.gz	UXJFJMSIQZUTRE-CSFSZXLXSA-N	0	0	447.585	5.842	50	30		IKEARN
COc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000252632448	569204844	/nfs/dbraw/zinc/20/48/44/569204844.db2.gz	VTQQBIKOGKYPLQ-XKEFNESHSA-N	0	0	430.529	5.826	50	30		IKEARN
COc1cc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O	ZINC000252634463	569206365	/nfs/dbraw/zinc/20/63/65/569206365.db2.gz	WOBPYWLILPGBNJ-JXJWTFEASA-N	0	0	430.529	5.826	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000252634597	569206937	/nfs/dbraw/zinc/20/69/37/569206937.db2.gz	WOWVYLDBBKOZML-GUGSDYAWSA-N	0	0	444.556	6.129	50	30		IKEARN
O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccccc1Cl	ZINC000002229290	569208315	/nfs/dbraw/zinc/20/83/15/569208315.db2.gz	FEVMEEQGGGJKFT-UHFFFAOYSA-N	0	0	438.266	5.501	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1	ZINC000252640075	569208466	/nfs/dbraw/zinc/20/84/66/569208466.db2.gz	YQOVKDKXADMPFV-OJVQYLDISA-N	0	0	436.533	5.361	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1	ZINC000252640074	569208486	/nfs/dbraw/zinc/20/84/86/569208486.db2.gz	YQOVKDKXADMPFV-APPGCKKWSA-N	0	0	436.533	5.361	50	30		IKEARN
O=C1/C(=C\c2c(F)c(F)c(F)c(F)c2F)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252640212	569208494	/nfs/dbraw/zinc/20/84/94/569208494.db2.gz	YRJOGAFYKIZWSR-ZGYMJZPCSA-N	0	0	446.400	6.191	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)SC1=Nc1ccccc1	ZINC000252640193	569208533	/nfs/dbraw/zinc/20/85/33/569208533.db2.gz	YQYIDYWBMUZUQE-ZYITZIQLSA-N	0	0	438.593	6.134	50	30		IKEARN
Cc1ccc(N=C2S/C(=C3/c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252640703	569208713	/nfs/dbraw/zinc/20/87/13/569208713.db2.gz	YWMICQGFRCHBFS-SHXUIJRESA-N	0	0	439.540	5.459	50	30		IKEARN
CCN(CC)c1ccc2c(C)c(N=Cc3c4ccccc4cc4ccccc43)c(=O)oc2c1	ZINC000252641338	569209348	/nfs/dbraw/zinc/20/93/48/569209348.db2.gz	ZCFAKNPNAFGZAS-UHFFFAOYSA-N	0	0	434.539	7.005	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252642721	569209478	/nfs/dbraw/zinc/20/94/78/569209478.db2.gz	ZOXAJRNZBHQPAZ-SBEYKLCGSA-N	0	0	440.568	6.677	50	30		IKEARN
N#Cc1cccc(N=c2oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1	ZINC000252668883	569209819	/nfs/dbraw/zinc/20/98/19/569209819.db2.gz	FVNUFSFLIJWVGT-UHFFFAOYSA-N	0	0	441.288	5.843	50	30		IKEARN
Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1	ZINC000252679275	569210683	/nfs/dbraw/zinc/21/06/83/569210683.db2.gz	KFLRDOVYKKZXMY-UHFFFAOYSA-N	0	0	437.728	6.159	50	30		IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@H]3CC[C@H]2C1	ZINC000252695352	569211189	/nfs/dbraw/zinc/21/11/89/569211189.db2.gz	YSSYRCSUIQKJPD-UDVWVZSCSA-N	0	0	444.700	7.651	50	30	biogenic	IKEARN
C=C[C@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2	ZINC000003668707	569212044	/nfs/dbraw/zinc/21/20/44/569212044.db2.gz	SAUDVEBWTPDHPK-LJQANCHMSA-N	0	0	430.386	6.075	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O	ZINC000002237322	569212509	/nfs/dbraw/zinc/21/25/09/569212509.db2.gz	WIRILWPNQWSSRS-UOKWBDCBSA-N	0	0	441.439	5.497	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Cl)OCO5)ccc3o2)c(Cl)c1	ZINC000003150278	569213227	/nfs/dbraw/zinc/21/32/27/569213227.db2.gz	AHYOQKRDCPFUJP-YCPBAFNGSA-N	0	0	445.689	6.934	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(C)c1Cl	ZINC000003113710	569213280	/nfs/dbraw/zinc/21/32/80/569213280.db2.gz	GXZMVDUPLCUEKH-NSKAYECMSA-N	0	0	445.733	7.528	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O	ZINC000002241431	569213621	/nfs/dbraw/zinc/21/36/21/569213621.db2.gz	WLWWRIHJERKYHR-UHFFFAOYSA-N	0	0	443.526	5.702	50	30		IKEARN
CCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(Cl)cc2)c2nc3ccccc3nc21	ZINC000002249179	569214731	/nfs/dbraw/zinc/21/47/31/569214731.db2.gz	VTQDLKZGQKBMQL-RWPZCVJISA-N	0	0	448.958	5.012	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2	ZINC000002248001	569214733	/nfs/dbraw/zinc/21/47/33/569214733.db2.gz	LDLLRVFVYKVZDF-UHFFFAOYSA-N	0	0	428.601	6.244	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F	ZINC000002257466	569215320	/nfs/dbraw/zinc/21/53/20/569215320.db2.gz	CAYPLBWXIOMWFB-UBFVSLLYSA-N	0	0	437.449	5.249	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000002258777	569215471	/nfs/dbraw/zinc/21/54/71/569215471.db2.gz	NMMJOEFPUHGEBF-UVQVWFEYSA-N	0	0	445.588	5.873	50	30		IKEARN
CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000002268709	569216433	/nfs/dbraw/zinc/21/64/33/569216433.db2.gz	JSAPFWVGNMTSIW-AFUMVMLFSA-N	0	0	438.519	5.964	50	30		IKEARN
COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1	ZINC000027500958	569216578	/nfs/dbraw/zinc/21/65/78/569216578.db2.gz	IJMAFFQIRGMTFQ-ZMOGYAJESA-N	0	0	430.729	6.158	50	30		IKEARN
N#Cc1c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2)sc2c1CCCC2	ZINC000027520251	569218202	/nfs/dbraw/zinc/21/82/02/569218202.db2.gz	FJUNCNZFYSAJPD-COOPMVRXSA-N	0	0	425.513	5.729	50	30		IKEARN
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)c1	ZINC000027522331	569255164	/nfs/dbraw/zinc/25/51/64/569255164.db2.gz	OARDIVULBYUSCY-XOFWUJAUSA-N	0	0	447.535	5.295	50	30		IKEARN
CC(=O)c1c2cc(-c3ccccc3)ncn2c(C(=O)c2ccc(C#N)cc2)c1-c1ccccc1	ZINC000019910050	569257147	/nfs/dbraw/zinc/25/71/47/569257147.db2.gz	KMMYQSXLHJOPIS-UHFFFAOYSA-N	0	0	441.490	5.974	50	30		IKEARN
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@@H]1CC2	ZINC000036370809	569257776	/nfs/dbraw/zinc/25/77/76/569257776.db2.gz	BNXIOYCVQJVXLJ-MTZWIHEPSA-N	0	0	434.617	6.332	50	30		IKEARN
CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1	ZINC000138165851	569262882	/nfs/dbraw/zinc/26/28/82/569262882.db2.gz	RBYDFXAPMDTYEB-IFCLKOLQSA-N	0	0	440.634	6.060	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]12C	ZINC000257347875	569263160	/nfs/dbraw/zinc/26/31/60/569263160.db2.gz	XRLBQELEYBVDHJ-QBXCLPINSA-N	0	0	444.612	5.265	50	30		IKEARN
Cc1ccc(-n2c3nc4ccccc4nc3c(C#N)c2NC(=O)/C=C/c2ccccc2)cc1	ZINC000002282712	569263588	/nfs/dbraw/zinc/26/35/88/569263588.db2.gz	VDBKQFZDVAWQSD-DTQAZKPQSA-N	0	0	429.483	5.406	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)cc1	ZINC000027528313	569263618	/nfs/dbraw/zinc/26/36/18/569263618.db2.gz	RJMIHURSSBHGRG-UHFFFAOYSA-N	0	0	437.568	6.665	50	30		IKEARN
CCCCCCCCCCOc1ccc(/C=N/n2cnc3c4ccccc4[nH]c3c2=O)cc1	ZINC000002290058	569264701	/nfs/dbraw/zinc/26/47/01/569264701.db2.gz	NRKBSAIZMBPFRO-VUTHCHCSSA-N	0	0	444.579	6.280	50	30		IKEARN
CCCCCCCCOc1ccc(-c2c3cnn(C)c3nc3c4ccc(O)cc4oc32)cc1	ZINC000253414554	569266103	/nfs/dbraw/zinc/26/61/03/569266103.db2.gz	XUBFFGKGEVZLAM-UHFFFAOYSA-N	0	0	443.547	6.980	50	30	biogenic	IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)n1	ZINC000027532782	569266851	/nfs/dbraw/zinc/26/68/51/569266851.db2.gz	PXSINBYKIFFTSF-HXUWFJFHSA-N	0	0	442.346	5.303	50	30		IKEARN
COc1ccc(C2=C(/C=N/c3ccccc3)[C@@H](c3ccccc3)c3ccccc3O2)cc1OC	ZINC000002291318	569267919	/nfs/dbraw/zinc/26/79/19/569267919.db2.gz	XWCCEOZZKMECFI-CLCCEFQUSA-N	0	0	447.534	7.042	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002295387	569268146	/nfs/dbraw/zinc/26/81/46/569268146.db2.gz	NZLJVUPSJGTHOQ-UHFFFAOYSA-N	0	0	444.600	5.944	50	30	biogenic	IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2	ZINC000002292582	569268240	/nfs/dbraw/zinc/26/82/40/569268240.db2.gz	ZJRUPOJROHCWEQ-UHFFFAOYSA-N	0	0	442.628	6.634	50	30	biogenic	IKEARN
Cc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1	ZINC000002298447	569268419	/nfs/dbraw/zinc/26/84/19/569268419.db2.gz	ALBDZYUIHVITIE-UHFFFAOYSA-N	0	0	427.573	5.582	50	30	biogenic	IKEARN
CCCOC(=O)c1ccc(-c2ccc(C=NN(Cc3ccccc3)c3ccccc3)o2)cc1	ZINC000239165290	569268611	/nfs/dbraw/zinc/26/86/11/569268611.db2.gz	NVJLEJJBTQOHOE-UHFFFAOYSA-N	0	0	438.527	6.554	50	30		IKEARN
COc1ccc(C=NN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1	ZINC000238924242	569268615	/nfs/dbraw/zinc/26/86/15/569268615.db2.gz	RHUYASIFBKPRFF-UHFFFAOYSA-N	0	0	449.982	5.079	50	30		IKEARN
COc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1	ZINC000239030688	569268623	/nfs/dbraw/zinc/26/86/23/569268623.db2.gz	CGUCMZYRDIPULM-UHFFFAOYSA-N	0	0	445.386	5.185	50	30		IKEARN
COc1cc(C=NN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1	ZINC000238924108	569268665	/nfs/dbraw/zinc/26/86/65/569268665.db2.gz	RAODBYKFQKPPRJ-UHFFFAOYSA-N	0	0	435.955	5.084	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002299615	569269116	/nfs/dbraw/zinc/26/91/16/569269116.db2.gz	LZBUZSQHBIYYIF-UHFFFAOYSA-N	0	0	442.584	5.391	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000245238998	569269568	/nfs/dbraw/zinc/26/95/68/569269568.db2.gz	DJKUHJBPRWSFHW-RYNCOEESSA-N	0	0	430.654	6.502	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)cc1	ZINC000252429353	569271296	/nfs/dbraw/zinc/27/12/96/569271296.db2.gz	GLANPKJYUZDVGV-UHFFFAOYSA-N	0	0	428.142	5.185	50	30		IKEARN
CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N\c4cc(C)cc(C)c4)NC3=O)o2)cc1	ZINC000002301136	569271383	/nfs/dbraw/zinc/27/13/83/569271383.db2.gz	GIFVUZRHIIZLJU-HMAPJEAMSA-N	0	0	446.528	5.632	50	30		IKEARN
O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2	ZINC000002306126	569271718	/nfs/dbraw/zinc/27/17/18/569271718.db2.gz	AJJLZQJXFPNRAY-DNQXCXABSA-N	0	0	440.854	5.247	50	30		IKEARN
CCCOc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCCC3)cc1	ZINC000002316740	569272466	/nfs/dbraw/zinc/27/24/66/569272466.db2.gz	LIHPXDCHBCHPTH-UHFFFAOYSA-N	0	0	427.595	5.194	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3	ZINC000002318225	569272575	/nfs/dbraw/zinc/27/25/75/569272575.db2.gz	XSSHVKXHRXHXKQ-KRWDZBQOSA-N	0	0	438.662	6.575	50	30		IKEARN
CCCCCCC(C=Nn1c(=O)[nH]c2c3cc(F)ccc3[nH]c2c1=O)=Cc1ccccc1	ZINC000002310744	569272694	/nfs/dbraw/zinc/27/26/94/569272694.db2.gz	VPINXZQWBLHRBQ-DPVRZMGRSA-N	0	0	432.499	5.198	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000253499465	569272859	/nfs/dbraw/zinc/27/28/59/569272859.db2.gz	HNTMKSKJRZRWKS-BOSZYFBSSA-N	0	0	444.637	5.681	50	30	biogenic	IKEARN
Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1c(O)ccc2ccccc21	ZINC000002312682	569273006	/nfs/dbraw/zinc/27/30/06/569273006.db2.gz	GAAQFTVQTCGEQL-LQKURTRISA-N	0	0	435.483	5.025	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@@]21C	ZINC000254611909	569273943	/nfs/dbraw/zinc/27/39/43/569273943.db2.gz	HAHDDRPLUQXNKO-VFQCGQLZSA-N	0	0	442.596	5.186	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O	ZINC000002340644	569275033	/nfs/dbraw/zinc/27/50/33/569275033.db2.gz	SPTWKSVDAFDCRZ-JYAWBRCSSA-N	0	0	446.532	5.382	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@@]21C	ZINC000257346887	569279895	/nfs/dbraw/zinc/27/98/95/569279895.db2.gz	CYPQELKXBYBDOE-OTXPBSGTSA-N	0	0	446.628	5.154	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]21C	ZINC000257346886	569279919	/nfs/dbraw/zinc/27/99/19/569279919.db2.gz	CYPQELKXBYBDOE-NPWAFTFVSA-N	0	0	446.628	5.154	50	30		IKEARN
CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12	ZINC000257348675	569280274	/nfs/dbraw/zinc/28/02/74/569280274.db2.gz	HXUGNDVVHVLCAY-KLDKZMGUSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@@H]4[C@@]3(C)C[C@H]1O2	ZINC000257350329	569280568	/nfs/dbraw/zinc/28/05/68/569280568.db2.gz	WJIXKJVODIQPNM-VRNHRVQZSA-N	0	0	444.700	7.376	50	30		IKEARN
CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1	ZINC000257350338	569280713	/nfs/dbraw/zinc/28/07/13/569280713.db2.gz	WKPPTKDUKHFXEE-HQMUWCNFSA-N	0	0	428.701	7.276	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@]21C	ZINC000257350703	569280719	/nfs/dbraw/zinc/28/07/19/569280719.db2.gz	ZJFYDPFCQFKJHC-GKLMFWPISA-N	0	0	430.677	7.740	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1	ZINC000257355592	569280741	/nfs/dbraw/zinc/28/07/41/569280741.db2.gz	BMEDGGDZYCTQMO-MPPHQWQQSA-N	0	0	442.621	5.601	50	30		IKEARN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@H]1O	ZINC000257355244	569280796	/nfs/dbraw/zinc/28/07/96/569280796.db2.gz	ZGLHBRQAEXKACO-DVYFRBSJSA-N	0	0	428.657	5.727	50	30		IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CC[C@H]2C1	ZINC000253500190	569283474	/nfs/dbraw/zinc/28/34/74/569283474.db2.gz	YSSYRCSUIQKJPD-WUGLEMOFSA-N	0	0	444.700	7.651	50	30	biogenic	IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@H]12	ZINC000253502205	569283518	/nfs/dbraw/zinc/28/35/18/569283518.db2.gz	MQYXUWHLBZFQQO-XKKTZVRPSA-N	0	0	426.729	8.025	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]12	ZINC000253502206	569283561	/nfs/dbraw/zinc/28/35/61/569283561.db2.gz	MQYXUWHLBZFQQO-YLGWIKJRSA-N	0	0	426.729	8.025	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F	ZINC000253528835	569283781	/nfs/dbraw/zinc/28/37/81/569283781.db2.gz	FHIHDASURXFVSB-UMARGTPLSA-N	0	0	444.585	7.913	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12	ZINC000253531384	569283936	/nfs/dbraw/zinc/28/39/36/569283936.db2.gz	IIMYCYVBVMITJJ-AHRQKPSYSA-N	0	0	425.657	6.062	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000253532008	569284051	/nfs/dbraw/zinc/28/40/51/569284051.db2.gz	IKAYYSYGCHKPAB-SOPFQKITSA-N	0	0	443.716	6.987	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)s1	ZINC000253618270	569284425	/nfs/dbraw/zinc/28/44/25/569284425.db2.gz	MPJRONGLSGYPDW-UHFFFAOYSA-N	0	0	434.171	5.247	50	30		IKEARN
Cc1nc2sc(C(=O)Nc3ccc(C(C)(C)C)cc3)c(N)c2c(-c2cccs2)c1C#N	ZINC000000663265	569284863	/nfs/dbraw/zinc/28/48/63/569284863.db2.gz	QEOAAIVJKSHDHS-UHFFFAOYSA-N	0	0	446.601	6.337	50	30		IKEARN
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)c1	ZINC000000662171	569284870	/nfs/dbraw/zinc/28/48/70/569284870.db2.gz	IUNUTQZWCFMOIC-UHFFFAOYSA-N	0	0	444.343	5.666	50	30		IKEARN
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(Cl)c1	ZINC000000638336	569284882	/nfs/dbraw/zinc/28/48/82/569284882.db2.gz	FKUBFJQZCBWXEX-UHFFFAOYSA-N	0	0	446.938	5.869	50	30		IKEARN
C[C@@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1	ZINC000000658695	569284927	/nfs/dbraw/zinc/28/49/27/569284927.db2.gz	TWYXZUGWLLZXOA-CYBMUJFWSA-N	0	0	447.507	5.670	50	30		IKEARN
Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N	ZINC000000662212	569284929	/nfs/dbraw/zinc/28/49/29/569284929.db2.gz	FSWVFIPAKGNGJD-UHFFFAOYSA-N	0	0	437.908	5.042	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000000712185	569285037	/nfs/dbraw/zinc/28/50/37/569285037.db2.gz	BCXFBXQODHZFSH-UHFFFAOYSA-N	0	0	438.883	6.329	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C#N)c1C	ZINC000000671763	569285088	/nfs/dbraw/zinc/28/50/88/569285088.db2.gz	SESPAEOBFANPOT-UHFFFAOYSA-N	0	0	445.997	5.839	50	30		IKEARN
CCOc1ccc(N=C(C)/C=C2/SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1	ZINC000334157276	569285763	/nfs/dbraw/zinc/28/57/63/569285763.db2.gz	SWONQMMWZNRXGB-JKEOCYTISA-N	0	0	430.573	6.118	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000002354222	569285814	/nfs/dbraw/zinc/28/58/14/569285814.db2.gz	WLVVQLIZCFBEMH-UVQVWFEYSA-N	0	0	445.588	5.873	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000002368816	569288784	/nfs/dbraw/zinc/28/87/84/569288784.db2.gz	JYGFHRSPNHBRBT-STBIYBPSSA-N	0	0	442.567	5.058	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21	ZINC000002375753	569289368	/nfs/dbraw/zinc/28/93/68/569289368.db2.gz	KERASXBMVQIOAU-UHFFFAOYSA-N	0	0	436.943	5.937	50	30		IKEARN
N#Cc1cc2c(N)c(C(=O)Nc3ccccc3SCc3ccc(F)cc3)sc2nc1N	ZINC000020080979	569289504	/nfs/dbraw/zinc/28/95/04/569289504.db2.gz	ZIOHSOUIIVMWJZ-UHFFFAOYSA-N	0	0	449.536	5.016	50	30		IKEARN
N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000008427311	569289636	/nfs/dbraw/zinc/28/96/36/569289636.db2.gz	REGBTMIQQDFODC-UHFFFAOYSA-N	0	0	446.660	6.299	50	30		IKEARN
CC(C)(C)c1ccc(-c2cc(-c3cccs3)c(C#N)c(SCc3cccs3)n2)cc1	ZINC000008396470	569289649	/nfs/dbraw/zinc/28/96/49/569289649.db2.gz	ZZEREEDVESFFRD-UHFFFAOYSA-N	0	0	446.666	8.000	50	30		IKEARN
Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1	ZINC000008441199	569289755	/nfs/dbraw/zinc/28/97/55/569289755.db2.gz	VPURSNQGAUSWFK-UHFFFAOYSA-N	0	0	448.635	8.186	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1	ZINC000008451236	569289938	/nfs/dbraw/zinc/28/99/38/569289938.db2.gz	UYTOXDHIMRELBA-HNNXBMFYSA-N	0	0	428.623	5.688	50	30		IKEARN
Cc1cc(-c2cccs2)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CCC3)n1	ZINC000008451110	569289945	/nfs/dbraw/zinc/28/99/45/569289945.db2.gz	GEOIQWWXPMBPNY-UHFFFAOYSA-N	0	0	436.587	5.143	50	30		IKEARN
N#Cc1c(SCc2ccccc2C(F)(F)F)nc2c(c1-c1cccs1)CCCC2	ZINC000008451008	569289968	/nfs/dbraw/zinc/28/99/68/569289968.db2.gz	FTEPKIXQPCTRCC-UHFFFAOYSA-N	0	0	430.520	6.872	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)OC(C)(C)C)n2)cc1	ZINC000008451076	569289970	/nfs/dbraw/zinc/28/99/70/569289970.db2.gz	VNARSHZZCVIMAT-UHFFFAOYSA-N	0	0	438.574	5.791	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)CC12CC3CC(CC(C3)C1)C2	ZINC000008454521	569289979	/nfs/dbraw/zinc/28/99/79/569289979.db2.gz	XTTIFXXOEDCBOM-UHFFFAOYSA-N	0	0	445.415	7.139	50	30		IKEARN
N#Cc1cc(Oc2ccc(OCc3ccccc3)cc2)c(-n2nnc3ccccc32)cc1C#N	ZINC000008450254	569289981	/nfs/dbraw/zinc/28/99/81/569289981.db2.gz	MYQXAONAPAIARL-UHFFFAOYSA-N	0	0	443.466	5.535	50	30		IKEARN
O=C(ON=C(CSc1ccccc1)CSc1ccccc1)c1ccc(Cl)cc1	ZINC000008857006	569291273	/nfs/dbraw/zinc/29/12/73/569291273.db2.gz	OUAUNVUXZGVRPX-UHFFFAOYSA-N	0	0	427.978	6.437	50	30		IKEARN
O=C(/C=C/c1c(-c2ccc(Br)cc2)nc2sccn12)c1ccccc1F	ZINC000008857194	569291398	/nfs/dbraw/zinc/29/13/98/569291398.db2.gz	LEQPJZMHNPJLKR-MDZDMXLPSA-N	0	0	427.298	5.861	50	30		IKEARN
O=C(/C=C/c1ccnn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1	ZINC000008857068	569291428	/nfs/dbraw/zinc/29/14/28/569291428.db2.gz	XGFYJBGRDYSNLL-DUXPYHPUSA-N	0	0	446.643	6.142	50	30		IKEARN
C#CCn1c(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1-c1ccccc1	ZINC000008857051	569291463	/nfs/dbraw/zinc/29/14/63/569291463.db2.gz	RDHHCCTZXIZXHW-UHFFFAOYSA-N	0	0	448.513	7.161	50	30		IKEARN
C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1	ZINC000008857053	569291479	/nfs/dbraw/zinc/29/14/79/569291479.db2.gz	SHNWPOPNOQKKQB-UHFFFAOYSA-N	0	0	438.640	7.993	50	30		IKEARN
N#CC1(C#N)[C@@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008873566	569291676	/nfs/dbraw/zinc/29/16/76/569291676.db2.gz	YLXSTDGPKWLPCS-JKSUJKDBSA-N	0	0	435.108	5.142	50	30		IKEARN
N#Cc1c(/C=C/c2ccc(F)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2	ZINC000008873206	569291710	/nfs/dbraw/zinc/29/17/10/569291710.db2.gz	GBXNYXZIJQGOTF-YRNVUSSQSA-N	0	0	446.437	5.870	50	30		IKEARN
N#CC1(C#N)[C@H](C(=O)Nc2ccc(Br)cc2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000008873567	569291755	/nfs/dbraw/zinc/29/17/55/569291755.db2.gz	YLXSTDGPKWLPCS-CVEARBPZSA-N	0	0	435.108	5.142	50	30		IKEARN
N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1ccc(Cl)cc1Cl	ZINC000008873865	569291833	/nfs/dbraw/zinc/29/18/33/569291833.db2.gz	WXKRBNGQPVOKAQ-UHFFFAOYSA-N	0	0	439.289	7.238	50	30		IKEARN
N#Cc1ccc(Sc2cccc(C(F)(F)F)c2)c(NC(=O)Nc2ccccc2Cl)c1	ZINC000008873904	569291842	/nfs/dbraw/zinc/29/18/42/569291842.db2.gz	XTJWEMKOZUPCPI-UHFFFAOYSA-N	0	0	447.869	7.026	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccc(Cl)cc2Cl)[C@@H]1C(=O)Nc1ccc(Br)cc1	ZINC000008873569	569291857	/nfs/dbraw/zinc/29/18/57/569291857.db2.gz	YLXSTDGPKWLPCS-HZPDHXFCSA-N	0	0	435.108	5.142	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1	ZINC000008934394	569292601	/nfs/dbraw/zinc/29/26/01/569292601.db2.gz	DOZLOPNZJUFYJT-UHFFFAOYSA-N	0	0	435.552	6.327	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N	ZINC000009130398	569293980	/nfs/dbraw/zinc/29/39/80/569293980.db2.gz	FHPOTEJYQQSYNE-ZBFHGGJFSA-N	0	0	449.458	5.193	50	30		IKEARN
CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccc(F)cc3)n2c1C	ZINC000065315848	569294224	/nfs/dbraw/zinc/29/42/24/569294224.db2.gz	OZPVEBYATUIHBO-UHFFFAOYSA-N	0	0	434.496	5.171	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc21	ZINC000002388841	569295982	/nfs/dbraw/zinc/29/59/82/569295982.db2.gz	QYWLCTSGYQUKPH-UHFFFAOYSA-N	0	0	449.986	5.569	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)NC3CCCCC3)n2)cc1	ZINC000009422131	569296100	/nfs/dbraw/zinc/29/61/00/569296100.db2.gz	VKEBYXGHTLBJSN-UHFFFAOYSA-N	0	0	449.498	5.189	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3ccccc3)N3CCOCC3)o2)CC1	ZINC000027750358	569296513	/nfs/dbraw/zinc/29/65/13/569296513.db2.gz	OKJUKSHRPFHBCQ-JVPYDEADSA-N	0	0	436.600	5.496	50	30		IKEARN
O=C1SC[C@@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F	ZINC000002396084	569298472	/nfs/dbraw/zinc/29/84/72/569298472.db2.gz	PYZXFBJYZYNMCU-SECBINFHSA-N	0	0	435.311	5.502	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1	ZINC000002398197	569298577	/nfs/dbraw/zinc/29/85/77/569298577.db2.gz	XXZZEPXXENDOQO-JAIQZWGSSA-N	0	0	429.230	5.968	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1	ZINC000002403116	569299802	/nfs/dbraw/zinc/29/98/02/569299802.db2.gz	JYEZQAIALKNHMA-NRFANRHFSA-N	0	0	448.862	5.057	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2Cl)c1=O	ZINC000002409939	569300586	/nfs/dbraw/zinc/30/05/86/569300586.db2.gz	UWWVFZLSTZUCPA-UHFFFAOYSA-N	0	0	445.954	5.907	50	30		IKEARN
CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000002410773	569300779	/nfs/dbraw/zinc/30/07/79/569300779.db2.gz	DUXDTNWKQSYRMV-UHFFFAOYSA-N	0	0	440.544	5.109	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3F)ccc2C1=O	ZINC000002412398	569301054	/nfs/dbraw/zinc/30/10/54/569301054.db2.gz	NSHFAQYXXFWOPF-MYKKPKGFSA-N	0	0	436.435	5.047	50	30		IKEARN
Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)cc1	ZINC000002428657	569302880	/nfs/dbraw/zinc/30/28/80/569302880.db2.gz	MYPMKLZNDNABPC-NRFANRHFSA-N	0	0	436.515	5.267	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(C)cc3)ccc2C1=O	ZINC000011869784	569303328	/nfs/dbraw/zinc/30/33/28/569303328.db2.gz	KHOSNNIXTTXMDZ-ROTLSHHCSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2ccc(C)cc2)c1=O	ZINC000002440972	569304142	/nfs/dbraw/zinc/30/41/42/569304142.db2.gz	ONTBCVHPGIIMGB-LQKURTRISA-N	0	0	438.535	5.065	50	30		IKEARN
Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccc(Br)cc3)ccc2C1=O	ZINC000002449068	569304722	/nfs/dbraw/zinc/30/47/22/569304722.db2.gz	XKAPBHMAWFSKNQ-WQRHYEAKSA-N	0	0	441.302	5.654	50	30		IKEARN
COc1ccccc1-c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1	ZINC000002454281	569304777	/nfs/dbraw/zinc/30/47/77/569304777.db2.gz	VSKNKMUPEYXLHA-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O	ZINC000012661685	569304820	/nfs/dbraw/zinc/30/48/20/569304820.db2.gz	PFLCXOYUUHWAGR-FBFLDQKCSA-N	0	0	439.640	5.984	50	30	biogenic	IKEARN
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)cc1	ZINC000002450381	569304954	/nfs/dbraw/zinc/30/49/54/569304954.db2.gz	QRGQDCKEVNFQMA-UHFFFAOYSA-N	0	0	426.545	5.805	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3ccc(F)cc3)C12	ZINC000020090653	569304997	/nfs/dbraw/zinc/30/49/97/569304997.db2.gz	JSRJIODJVUDTAP-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCCc1ccccc1	ZINC000012959896	569305393	/nfs/dbraw/zinc/30/53/93/569305393.db2.gz	KGYAEIQNBAUPRL-UHFFFAOYSA-N	0	0	442.462	5.745	50	30		IKEARN
N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1	ZINC000013071099	569308995	/nfs/dbraw/zinc/30/89/95/569308995.db2.gz	TYERXZCUZGYGAL-SANMLTNESA-N	0	0	431.495	5.468	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc(-c2cccs2)nc1C	ZINC000013095538	569309500	/nfs/dbraw/zinc/30/95/00/569309500.db2.gz	ADBKLEAVUFHDCS-UHFFFAOYSA-N	0	0	449.351	5.432	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1	ZINC000013097393	569309791	/nfs/dbraw/zinc/30/97/91/569309791.db2.gz	WWKNZHDBLFZQMI-UHFFFAOYSA-N	0	0	430.554	6.207	50	30		IKEARN
CN(Cc1nc2ccccc2s1)C(=O)c1ccccc1SCc1ccc(C#N)cc1	ZINC000013112948	569310110	/nfs/dbraw/zinc/31/01/10/569310110.db2.gz	KWOGSQGJSISVJT-UHFFFAOYSA-N	0	0	429.570	5.732	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@H]12	ZINC000254397363	569316572	/nfs/dbraw/zinc/31/65/72/569316572.db2.gz	FVWJYYTZTCVBKE-XKKTZVRPSA-N	0	0	442.728	6.997	50	30		IKEARN
Cc1cc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(=O)[nH]1	ZINC000328594217	569317621	/nfs/dbraw/zinc/31/76/21/569317621.db2.gz	ZMGRJTCZQJJSNY-KRWDZBQOSA-N	0	0	441.528	5.372	50	30		IKEARN
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCN(c3cccc(C)c3)CC2)n1	ZINC000019820620	569330035	/nfs/dbraw/zinc/33/00/35/569330035.db2.gz	XBQBIBRMPYRWRX-UHFFFAOYSA-N	0	0	435.984	5.026	50	30		IKEARN
C=CCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc21	ZINC000019820173	569330072	/nfs/dbraw/zinc/33/00/72/569330072.db2.gz	OYMFJBLDDYBJGC-UHFFFAOYSA-N	0	0	425.554	5.021	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1	ZINC000019840976	569330178	/nfs/dbraw/zinc/33/01/78/569330178.db2.gz	JESHTGSGZJLKAI-UHFFFAOYSA-N	0	0	433.939	5.712	50	30		IKEARN
N#Cc1ccn2c(C(=O)c3ccc(-c4ccccc4)cc3)cc(C(=O)c3ccccc3)c2c1	ZINC000019833832	569330192	/nfs/dbraw/zinc/33/01/92/569330192.db2.gz	DJIUXFUTQHIOBU-UHFFFAOYSA-N	0	0	426.475	5.940	50	30		IKEARN
Cc1sc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1	ZINC000019841451	569330218	/nfs/dbraw/zinc/33/02/18/569330218.db2.gz	TWFLECLYFUYWKW-UHFFFAOYSA-N	0	0	437.996	6.464	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl	ZINC000019841349	569330249	/nfs/dbraw/zinc/33/02/49/569330249.db2.gz	AEVIWDMPEPQNCG-UHFFFAOYSA-N	0	0	437.902	5.461	50	30		IKEARN
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)cc1CSc1ccc(Cl)cc1	ZINC000019841975	569330250	/nfs/dbraw/zinc/33/02/50/569330250.db2.gz	RWDLYWLDZXGHKU-UHFFFAOYSA-N	0	0	448.035	7.034	50	30		IKEARN
CCOc1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1	ZINC000019830926	569330254	/nfs/dbraw/zinc/33/02/54/569330254.db2.gz	DYUCKKSVBIIINK-UHFFFAOYSA-N	0	0	448.935	5.282	50	30		IKEARN
N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccc(OCc2ccccc2)cc1	ZINC000019848311	569330310	/nfs/dbraw/zinc/33/03/10/569330310.db2.gz	XRNILQTVVRXVCB-UHFFFAOYSA-N	0	0	448.551	5.945	50	30		IKEARN
N#Cc1c(N)nc(SCc2cccc(Br)c2)c(C#N)c1-c1cccs1	ZINC000019852221	569330326	/nfs/dbraw/zinc/33/03/26/569330326.db2.gz	GOGJOUIPQZDUAO-UHFFFAOYSA-N	0	0	427.352	5.190	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccc(Cl)cc1	ZINC000019900774	569331794	/nfs/dbraw/zinc/33/17/94/569331794.db2.gz	NSJFKGUDUKIYLJ-UHFFFAOYSA-N	0	0	433.939	5.712	50	30		IKEARN
Cc1ccc(C)c(Sc2ccc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cc2)c1	ZINC000020007610	569332347	/nfs/dbraw/zinc/33/23/47/569332347.db2.gz	JBERZPLSUSCKBM-UHFFFAOYSA-N	0	0	431.561	5.203	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1	ZINC000020071678	569333650	/nfs/dbraw/zinc/33/36/50/569333650.db2.gz	ORDAQYJPJNSNSJ-GSDHBNRESA-N	0	0	433.486	5.418	50	30		IKEARN
Cc1cc(/C=N/c2ccc(O)c(-c3nc4ccccc4[nH]3)c2)c(O)c(Br)c1C	ZINC000020075006	569333810	/nfs/dbraw/zinc/33/38/10/569333810.db2.gz	MAUCLLMUUZPNGC-BHGWPJFGSA-N	0	0	436.309	5.771	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCc3ccccc3-4)sc2C1	ZINC000020137772	569335306	/nfs/dbraw/zinc/33/53/06/569335306.db2.gz	JDWZNYXLRZPBNZ-HNNXBMFYSA-N	0	0	431.561	5.777	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)c1	ZINC000020132690	569335414	/nfs/dbraw/zinc/33/54/14/569335414.db2.gz	SEQQUBIYWOVZHE-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)c1	ZINC000020132794	569335453	/nfs/dbraw/zinc/33/54/53/569335453.db2.gz	HKSARGOBRDVUGW-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
COc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1	ZINC000020134151	569335581	/nfs/dbraw/zinc/33/55/81/569335581.db2.gz	LKEWDCYFOAAIBX-QHCPKHFHSA-N	0	0	446.576	5.218	50	30		IKEARN
Cc1cc(Cn2ccc(C(F)(F)F)n2)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1	ZINC000020344506	569361120	/nfs/dbraw/zinc/36/11/20/569361120.db2.gz	DWZZWGJNDLWQJA-UHFFFAOYSA-N	0	0	439.485	5.352	50	30		IKEARN
COc1ccc(N2CCN(C/C(=N\OCc3ccc(Cl)cc3)c3ccccc3)CC2)cc1	ZINC000020365808	569361923	/nfs/dbraw/zinc/36/19/23/569361923.db2.gz	YFONROQUUZVUGQ-BYCLXTJYSA-N	0	0	449.982	5.092	50	30		IKEARN
N#Cc1ccc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)n2-c2ccccc2)cc1	ZINC000020436120	569365354	/nfs/dbraw/zinc/36/53/54/569365354.db2.gz	DCPTYWVQPDIZPX-UHFFFAOYSA-N	0	0	426.589	5.899	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000095909782	569375083	/nfs/dbraw/zinc/37/50/83/569375083.db2.gz	FELCJAPFJOPHSD-MHYAHYFVSA-N	0	0	440.712	7.204	50	30	biogenic	IKEARN
Cc1ccccc1/C=C\C(=O)c1c(=O)n(C(C)C)c2ccc(Cl)cc2c1-c1ccccc1	ZINC000096265917	569387987	/nfs/dbraw/zinc/38/79/87/569387987.db2.gz	UTNIVIKWTXGUOG-SSZFMOIBSA-N	0	0	441.958	7.107	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1c(F)cccc1Cl	ZINC000096402198	569400462	/nfs/dbraw/zinc/40/04/62/569400462.db2.gz	QMBOIQDSHDSPTQ-QBFSEMIESA-N	0	0	436.313	7.552	50	30		IKEARN
O=C(/C=C\c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1	ZINC000096498791	569401015	/nfs/dbraw/zinc/40/10/15/569401015.db2.gz	LVUSTTLJPLEOCA-GMGKOPGTSA-N	0	0	428.557	5.023	50	30		IKEARN
N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CCC/C2=C/c1ccccc1	ZINC000096562068	569401052	/nfs/dbraw/zinc/40/10/52/569401052.db2.gz	ZKZWLOXJLTVFIC-PLRJNAJWSA-N	0	0	444.603	7.789	50	30		IKEARN
CCN(CC)c1ccc2c(c1)oc(=O)c(/C=N/Cc1ccccc1)c2NCc1ccccc1	ZINC000096562297	569401126	/nfs/dbraw/zinc/40/11/26/569401126.db2.gz	XKZBNRAYENJDJT-ZTKZIYFRSA-N	0	0	439.559	5.870	50	30		IKEARN
COc1ccccc1NC(=Nc1nnc(C)s1)N1N=C(C)S[C@@H]1c1ccc(C)cc1	ZINC000096576687	569401602	/nfs/dbraw/zinc/40/16/02/569401602.db2.gz	TUYCFXVQUHBXOR-LJQANCHMSA-N	0	0	438.582	5.344	50	30		IKEARN
C=CCN1C(=O)c2c3c(sc2N[C@H]1SCc1cccc(Cl)c1Cl)CCCC3	ZINC000096592224	569401889	/nfs/dbraw/zinc/40/18/89/569401889.db2.gz	AHOXELPSWZCGFT-HXUWFJFHSA-N	0	0	439.433	6.204	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000002493475	569405587	/nfs/dbraw/zinc/40/55/87/569405587.db2.gz	FMPDRPSBKCXPIH-HNNXBMFYSA-N	0	0	443.569	5.119	50	30		IKEARN
Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000028051622	569406782	/nfs/dbraw/zinc/40/67/82/569406782.db2.gz	ACQYNELHLXNPJA-IIBYNOLFSA-N	0	0	435.321	5.704	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(OC)c3)c2c1	ZINC000028182401	569408563	/nfs/dbraw/zinc/40/85/63/569408563.db2.gz	ZMTSAHWTAQYXDK-UHFFFAOYSA-N	0	0	443.499	6.324	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C	ZINC000028182459	569408702	/nfs/dbraw/zinc/40/87/02/569408702.db2.gz	DJOPIGKWMZNAFR-ZRGSRPPYSA-N	0	0	425.484	5.691	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21	ZINC000028182800	569408755	/nfs/dbraw/zinc/40/87/55/569408755.db2.gz	CYWOHMRXGGESRQ-MHBHXDGASA-N	0	0	446.547	5.224	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2cc(OC)ccc21	ZINC000028182810	569408766	/nfs/dbraw/zinc/40/87/66/569408766.db2.gz	RFWKINAAPLKRNK-QFEZKATASA-N	0	0	446.547	5.368	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21	ZINC000028182524	569408786	/nfs/dbraw/zinc/40/87/86/569408786.db2.gz	IXJXRKKPKRRWBK-YSMPRRRNSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+]3C[C@H](C)C[C@H](C)C3)C2=O)c2ccccc21	ZINC000028182838	569408925	/nfs/dbraw/zinc/40/89/25/569408925.db2.gz	NZJVEMLDYNICJQ-RMHKOLRHSA-N	0	0	430.548	5.461	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccccc13)O2	ZINC000028182836	569408994	/nfs/dbraw/zinc/40/89/94/569408994.db2.gz	WEINRUDCSGIPGT-ONUIUJJFSA-N	0	0	446.591	6.385	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nc2sc(C)c(C)c2c1=O	ZINC000028381075	569409851	/nfs/dbraw/zinc/40/98/51/569409851.db2.gz	FQNGRYZSULGJMS-UHFFFAOYSA-N	0	0	441.622	5.423	50	30		IKEARN
N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccc(F)cc1	ZINC000002618434	569410522	/nfs/dbraw/zinc/41/05/22/569410522.db2.gz	NFKBSTZXQDRFFE-UHFFFAOYSA-N	0	0	448.548	5.536	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccccc1	ZINC000002621894	569411133	/nfs/dbraw/zinc/41/11/33/569411133.db2.gz	MSQLKFRKLJETTD-UHFFFAOYSA-N	0	0	448.617	5.634	50	30		IKEARN
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nc2sc(C)c(C)c2c1=O	ZINC000002622448	569411164	/nfs/dbraw/zinc/41/11/64/569411164.db2.gz	CKSPDTGVUYQFRE-UHFFFAOYSA-N	0	0	428.579	5.154	50	30		IKEARN
C=CCn1c(C)cc(C(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c1C	ZINC000002621836	569411194	/nfs/dbraw/zinc/41/11/94/569411194.db2.gz	KRNDXZUYEYJWLA-UHFFFAOYSA-N	0	0	435.907	5.215	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1SCc1csc(-c2ccccc2)n1	ZINC000002625621	569411587	/nfs/dbraw/zinc/41/15/87/569411587.db2.gz	VJIGPNQRBDVBKE-UHFFFAOYSA-N	0	0	438.553	5.598	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002625950	569411738	/nfs/dbraw/zinc/41/17/38/569411738.db2.gz	PIDJRZPLJUYSRV-UHFFFAOYSA-N	0	0	442.535	5.438	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(c(C)cc4c3CN(CCc3cccs3)CO4)C2=O)cc1	ZINC000028541897	569411775	/nfs/dbraw/zinc/41/17/75/569411775.db2.gz	UZIUYUBJNUDGQU-XKZIYDEJSA-N	0	0	433.529	5.076	50	30		IKEARN
N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)cc1	ZINC000002631536	569412420	/nfs/dbraw/zinc/41/24/20/569412420.db2.gz	GVCDIOONOCMIFH-UHFFFAOYSA-N	0	0	441.874	5.222	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)c1cc2ccccc2o1	ZINC000002635698	569412922	/nfs/dbraw/zinc/41/29/22/569412922.db2.gz	TZUJHLKCGXYXJY-UHFFFAOYSA-N	0	0	433.533	5.327	50	30		IKEARN
Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000002638709	569413433	/nfs/dbraw/zinc/41/34/33/569413433.db2.gz	LWBLUNZCUQCBSU-UHFFFAOYSA-N	0	0	447.608	5.004	50	30		IKEARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)n2C2CCCCC2)cc1	ZINC000028606469	569414333	/nfs/dbraw/zinc/41/43/33/569414333.db2.gz	QZJCQVHXEQPHTN-UHFFFAOYSA-N	0	0	447.564	5.061	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2C1	ZINC000002728135	569418073	/nfs/dbraw/zinc/41/80/73/569418073.db2.gz	CVAAWKFNLNQBEO-LBPRGKRZSA-N	0	0	440.462	5.414	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)sc2C1	ZINC000002727886	569418671	/nfs/dbraw/zinc/41/86/71/569418671.db2.gz	ZWBAPQVGRLOZAO-LBPRGKRZSA-N	0	0	440.462	5.414	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc32)c1C#N	ZINC000002736541	569418968	/nfs/dbraw/zinc/41/89/68/569418968.db2.gz	ZLGFRGPRNUPEOI-UHFFFAOYSA-N	0	0	425.557	6.575	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCCC3)cc(OCC)c1OCC	ZINC000002734281	569419089	/nfs/dbraw/zinc/41/90/89/569419089.db2.gz	LGTDDBVYSFBMLA-UHFFFAOYSA-N	0	0	442.581	5.727	50	30		IKEARN
CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1	ZINC000002739309	569419231	/nfs/dbraw/zinc/41/92/31/569419231.db2.gz	CLPDLIRHZNCABD-LEWJYISDSA-N	0	0	434.992	6.881	50	30		IKEARN
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1	ZINC000002742232	569419875	/nfs/dbraw/zinc/41/98/75/569419875.db2.gz	KMVQYZAWHWLFOY-HXOBKFHXSA-N	0	0	432.614	6.607	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1	ZINC000002756890	569420379	/nfs/dbraw/zinc/42/03/79/569420379.db2.gz	ZZTDCIIRPGOJRR-NUPZDWQCSA-N	0	0	438.270	7.126	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/C=C/c4ccccc4)ccc3o2)cc1Br	ZINC000002756757	569420397	/nfs/dbraw/zinc/42/03/97/569420397.db2.gz	CAUNZQPNEDHVSW-UAPAKVGBSA-N	0	0	433.305	6.682	50	30		IKEARN
N#Cc1c(NC(=O)c2cc(Br)ccc2OC(F)F)sc2c1CCCC2	ZINC000002790973	569421569	/nfs/dbraw/zinc/42/15/69/569421569.db2.gz	ZJFFODJXFDDNDR-UHFFFAOYSA-N	0	0	427.270	5.115	50	30		IKEARN
Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br	ZINC000002790908	569421599	/nfs/dbraw/zinc/42/15/99/569421599.db2.gz	BYNAUSKQQZFGOL-QWHCGFSZSA-N	0	0	449.418	5.238	50	30		IKEARN
Cc1ccc(C)c(-c2csc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2C#N)c1	ZINC000002872891	569423744	/nfs/dbraw/zinc/42/37/44/569423744.db2.gz	KMLNAZMBLZTHOM-UHFFFAOYSA-N	0	0	445.456	5.171	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2	ZINC000002875225	569423872	/nfs/dbraw/zinc/42/38/72/569423872.db2.gz	JSLSKEOLLHWVNT-UHFFFAOYSA-N	0	0	428.513	6.003	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(F)c1	ZINC000002882047	569423927	/nfs/dbraw/zinc/42/39/27/569423927.db2.gz	XUMJXVNIGRPGQC-UHFFFAOYSA-N	0	0	426.234	6.065	50	30		IKEARN
N#Cc1c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2	ZINC000002880769	569423982	/nfs/dbraw/zinc/42/39/82/569423982.db2.gz	LWQNZCHZUZJAGS-UHFFFAOYSA-N	0	0	447.585	5.204	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)Nc3ccc(OC)cc3)cc2)nnc1-c1ccco1	ZINC000029550659	569431480	/nfs/dbraw/zinc/43/14/80/569431480.db2.gz	YBEMJRGILRPQKE-UHFFFAOYSA-N	0	0	446.532	5.277	50	30		IKEARN
CCOc1ccccc1Nc1sc(C(=O)c2ccc(Cl)c(Cl)c2)c(N)c1C#N	ZINC000002962293	569432813	/nfs/dbraw/zinc/43/28/13/569432813.db2.gz	QUFSTCZHBUYURL-UHFFFAOYSA-N	0	0	432.332	5.882	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@@H](CCC1CC1)c1ccccc1	ZINC000002981287	569433719	/nfs/dbraw/zinc/43/37/19/569433719.db2.gz	CVDRPHRLIKSYGK-QHCPKHFHSA-N	0	0	438.518	7.663	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(c2ccccc2)C1=O	ZINC000003021896	569436025	/nfs/dbraw/zinc/43/60/25/569436025.db2.gz	FJBYRSYQUVIOPF-ZMPCKTLKSA-N	0	0	431.542	5.571	50	30		IKEARN
CCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1	ZINC000003022903	569436076	/nfs/dbraw/zinc/43/60/76/569436076.db2.gz	WTIWZVLRYLPRPC-UHFFFAOYSA-N	0	0	431.374	5.079	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2CC)ccc1F	ZINC000003022659	569436091	/nfs/dbraw/zinc/43/60/91/569436091.db2.gz	KPMYITGPPYUHGJ-UHFFFAOYSA-N	0	0	438.524	5.022	50	30		IKEARN
CCc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)cc1	ZINC000003026700	569436277	/nfs/dbraw/zinc/43/62/77/569436277.db2.gz	IJYPYRQWYYEQEV-UHFFFAOYSA-N	0	0	436.587	5.145	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2	ZINC000230106321	569437489	/nfs/dbraw/zinc/43/74/89/569437489.db2.gz	RGXYSKFXYUNLBJ-ITNZAGEZSA-N	0	0	442.467	5.708	50	30		IKEARN
CCOC(=O)c1cc(C)nc(Sc2ccccc2NC(=O)Nc2ccccc2)c1C#N	ZINC000003046183	569438372	/nfs/dbraw/zinc/43/83/72/569438372.db2.gz	OUQPQSDKDOOKFE-UHFFFAOYSA-N	0	0	432.505	5.234	50	30		IKEARN
Cc1ccc(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cc(C)cc3C)C2=O)cc1	ZINC000003041265	569438405	/nfs/dbraw/zinc/43/84/05/569438405.db2.gz	NNHBPTMSDLALAK-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O	ZINC000003041312	569438419	/nfs/dbraw/zinc/43/84/19/569438419.db2.gz	JZRRLBWKXMJYFX-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
COc1ccc(-c2nc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1	ZINC000003041137	569438425	/nfs/dbraw/zinc/43/84/25/569438425.db2.gz	KPOIXYDYPZPZLO-UHFFFAOYSA-N	0	0	443.959	6.637	50	30		IKEARN
Cc1cccc(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cc(C)cc3C)C2=O)c1	ZINC000003041409	569438426	/nfs/dbraw/zinc/43/84/26/569438426.db2.gz	ULIBXWZEXJXZGS-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2)C1=O	ZINC000003041289	569438436	/nfs/dbraw/zinc/43/84/36/569438436.db2.gz	ABOQKWNJQOUHAM-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1C	ZINC000003041569	569438458	/nfs/dbraw/zinc/43/84/58/569438458.db2.gz	QMUOXRLGWSKDHL-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1	ZINC000003041504	569438490	/nfs/dbraw/zinc/43/84/90/569438490.db2.gz	JMRXUNOMOOJPBO-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000230138103	569439192	/nfs/dbraw/zinc/43/91/92/569439192.db2.gz	WVXXEBLHRGPWQV-IMABZSNASA-N	0	0	446.635	6.498	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C/c4ccco4)C(=O)O3)cc2)cc1	ZINC000003053059	569439343	/nfs/dbraw/zinc/43/93/43/569439343.db2.gz	MLVAAFTVDLTTCG-LHLOQNFPSA-N	0	0	427.544	7.194	50	30		IKEARN
O=C(O/N=C1/c2ccccc2N(Cc2ccc(Cl)cc2Cl)C1=O)c1ccccc1	ZINC000003063971	569439620	/nfs/dbraw/zinc/43/96/20/569439620.db2.gz	FTMUIWYKQQCISJ-QQTULTPQSA-N	0	0	425.271	5.101	50	30		IKEARN
N#Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Sc1ccc(Cl)cc1	ZINC000003104501	569440276	/nfs/dbraw/zinc/44/02/76/569440276.db2.gz	YWYVJCBHACKGGF-UHFFFAOYSA-N	0	0	433.747	6.922	50	30		IKEARN
N#Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Sc1ccc(Cl)cc1	ZINC000003104500	569440292	/nfs/dbraw/zinc/44/02/92/569440292.db2.gz	CPTPRJSDJXOEAK-UHFFFAOYSA-N	0	0	432.854	6.634	50	30		IKEARN
C=CCOc1ccc(Br)cc1CN(C)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000003106104	569440330	/nfs/dbraw/zinc/44/03/30/569440330.db2.gz	QAXNDGQIIZYRRR-UHFFFAOYSA-N	0	0	444.156	5.985	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)ccc1Cl	ZINC000003113148	569440362	/nfs/dbraw/zinc/44/03/62/569440362.db2.gz	AGVLQDFKPWXIJJ-YSURURNPSA-N	0	0	446.677	7.114	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1Cl	ZINC000003113865	569440396	/nfs/dbraw/zinc/44/03/96/569440396.db2.gz	HPIDOUZENCQXQL-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl	ZINC000003113137	569440401	/nfs/dbraw/zinc/44/04/01/569440401.db2.gz	JIVWGHDCJHAEMP-OPEKNORGSA-N	0	0	431.706	7.214	50	30		IKEARN
N#Cc1cc(-c2ncc(C(F)(F)F)cc2Cl)cnc1Oc1ccc(Cl)cc1Cl	ZINC000003134273	569440758	/nfs/dbraw/zinc/44/07/58/569440758.db2.gz	UWZWLBPLWZVJKR-UHFFFAOYSA-N	0	0	444.627	6.787	50	30		IKEARN
COc1ccc(NC(=O)O/N=C(\c2ccccc2)c2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000003134945	569440791	/nfs/dbraw/zinc/44/07/91/569440791.db2.gz	VLSXBBAKRHSVIM-MTDXEUNCSA-N	0	0	449.816	5.764	50	30		IKEARN
CCCCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003146475	569440822	/nfs/dbraw/zinc/44/08/22/569440822.db2.gz	ITPODQNLMWVGGJ-UHFFFAOYSA-N	0	0	429.589	6.853	50	30		IKEARN
CCCCN(CCCC)CC(=O)[C@@H](C#N)c1nc(-c2ccc(Br)cc2)cs1	ZINC000003171405	569441181	/nfs/dbraw/zinc/44/11/81/569441181.db2.gz	ZUGIMUDIVDQNJJ-GOSISDBHSA-N	0	0	448.430	5.651	50	30		IKEARN
CCCCN(CCCC)CC(=O)[C@H](C#N)c1nc(-c2ccc(Br)cc2)cs1	ZINC000003171406	569441213	/nfs/dbraw/zinc/44/12/13/569441213.db2.gz	ZUGIMUDIVDQNJJ-SFHVURJKSA-N	0	0	448.430	5.651	50	30		IKEARN
Cc1ccc(NP(=O)(Nc2ccc(C)cc2)C(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000003200205	569441610	/nfs/dbraw/zinc/44/16/10/569441610.db2.gz	BWUFJCQBTDFEKQ-UHFFFAOYSA-N	0	0	428.288	6.811	50	30		IKEARN
C=CCn1c(S[C@@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O	ZINC000003220468	569441972	/nfs/dbraw/zinc/44/19/72/569441972.db2.gz	NIVQKFDCMPSBJF-LJQANCHMSA-N	0	0	429.570	5.538	50	30		IKEARN
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1	ZINC000003231571	569442311	/nfs/dbraw/zinc/44/23/11/569442311.db2.gz	CUSNABCRHTZGIS-UHFFFAOYSA-N	0	0	445.529	6.786	50	30		IKEARN
Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccccc1F)C1C(=O)c3ccccc3C1=N2	ZINC000003257875	569443130	/nfs/dbraw/zinc/44/31/30/569443130.db2.gz	RTHZACLUPASDJR-QFIPXVFZSA-N	0	0	425.438	5.624	50	30		IKEARN
N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccc(Cl)cc1	ZINC000003267554	569443259	/nfs/dbraw/zinc/44/32/59/569443259.db2.gz	XLELWPPGOTZGKX-UHFFFAOYSA-N	0	0	437.890	5.410	50	30		IKEARN
O=C(c1ccc(Cl)c(Cl)c1)C1=C2SC=C(c3ccc(Cl)cc3)N2CCCC1	ZINC000003265520	569443392	/nfs/dbraw/zinc/44/33/92/569443392.db2.gz	LRIRRHHSTXLGPM-UHFFFAOYSA-N	0	0	436.791	7.272	50	30		IKEARN
Cc1ccc(C(=O)C2=C3NC(=O)c4c(-c5ccccc5)csc4N3Cc3ccccc32)cc1	ZINC000003267988	569443458	/nfs/dbraw/zinc/44/34/58/569443458.db2.gz	VDFGSLCIWGCNIZ-UHFFFAOYSA-N	0	0	448.547	6.039	50	30		IKEARN
C=CCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nnc1C1CCCCC1	ZINC000003297302	569444800	/nfs/dbraw/zinc/44/48/00/569444800.db2.gz	QOLZCTFFCMSWFS-UHFFFAOYSA-N	0	0	429.973	5.872	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)cc1OC	ZINC000003304960	569445164	/nfs/dbraw/zinc/44/51/64/569445164.db2.gz	IOKBWLWGSVOBEU-UHFFFAOYSA-N	0	0	443.890	5.696	50	30		IKEARN
N#Cc1c(NC(=O)CSc2ncnc3ccccc32)oc(-c2ccco2)c1-c1ccco1	ZINC000003305732	569445261	/nfs/dbraw/zinc/44/52/61/569445261.db2.gz	JTACNQFZOJHLAE-UHFFFAOYSA-N	0	0	442.456	5.345	50	30		IKEARN
N#Cc1c(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)sc2c1CCC2	ZINC000003305523	569445263	/nfs/dbraw/zinc/44/52/63/569445263.db2.gz	VKWFUEWZALEIIE-UHFFFAOYSA-N	0	0	443.355	6.247	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccccc2)ccc1Cl	ZINC000003320529	569445971	/nfs/dbraw/zinc/44/59/71/569445971.db2.gz	ZQBSVIOJCFYXMY-UHFFFAOYSA-N	0	0	441.936	5.078	50	30		IKEARN
N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc32)c1	ZINC000003338145	569446718	/nfs/dbraw/zinc/44/67/18/569446718.db2.gz	HMEASNAJGVFVKA-UHFFFAOYSA-N	0	0	441.874	5.222	50	30		IKEARN
CCc1ccc(OCc2nnc(Sc3ccc([N+](=O)[O-])cc3C#N)n2CC(C)C)cc1	ZINC000003339837	569446761	/nfs/dbraw/zinc/44/67/61/569446761.db2.gz	HUZFULQWFPOENT-UHFFFAOYSA-N	0	0	437.525	5.007	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2CC)c1	ZINC000003352570	569447453	/nfs/dbraw/zinc/44/74/53/569447453.db2.gz	JEZPIHRCKQRZEJ-UHFFFAOYSA-N	0	0	434.561	5.191	50	30		IKEARN
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCc1c(F)cccc1F	ZINC000003364571	569448094	/nfs/dbraw/zinc/44/80/94/569448094.db2.gz	VVYQDDOIXCWRIX-UHFFFAOYSA-N	0	0	449.526	6.281	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1F	ZINC000003378328	569448703	/nfs/dbraw/zinc/44/87/03/569448703.db2.gz	MXKNLGGLVQDZPJ-UHFFFAOYSA-N	0	0	432.318	5.008	50	30		IKEARN
C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@H]1COc2ccccc2O1	ZINC000003415007	569450213	/nfs/dbraw/zinc/45/02/13/569450213.db2.gz	GGYXKZAFQSCDDZ-HXUWFJFHSA-N	0	0	448.573	5.392	50	30		IKEARN
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1	ZINC000003421208	569450454	/nfs/dbraw/zinc/45/04/54/569450454.db2.gz	XENXBMZLNOYUFX-UHFFFAOYSA-N	0	0	445.935	5.190	50	30		IKEARN
C=CCOc1ccc(C=C(C(=O)Nc2ccccc2F)C(=O)Nc2ccccc2F)cc1	ZINC000003446324	569451394	/nfs/dbraw/zinc/45/13/94/569451394.db2.gz	IHDXJCBMZIXGCY-UHFFFAOYSA-N	0	0	434.442	5.190	50	30		IKEARN
COc1cc([C@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N	ZINC000030952916	569451632	/nfs/dbraw/zinc/45/16/32/569451632.db2.gz	DPTQZUSDFNKGFM-VWLOTQADSA-N	0	0	442.906	5.635	50	30		IKEARN
COc1ccc(Cn2cc(-c3ccccc3)c(C#N)c2/N=C/c2ccc(Cl)cc2)cc1	ZINC000003469596	569452072	/nfs/dbraw/zinc/45/20/72/569452072.db2.gz	UGEMRESURWAQPG-MUFRIFMGSA-N	0	0	425.919	6.488	50	30		IKEARN
Cc1c(Cl)cccc1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl	ZINC000003587593	569454528	/nfs/dbraw/zinc/45/45/28/569454528.db2.gz	PUILOROHPYTPNZ-BHGWPJFGSA-N	0	0	435.355	5.611	50	30		IKEARN
CCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC	ZINC000003633806	569455446	/nfs/dbraw/zinc/45/54/46/569455446.db2.gz	CYZNXHPBTVKKAQ-HHHXNRCGSA-N	0	0	427.500	5.837	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000004018585	569458174	/nfs/dbraw/zinc/45/81/74/569458174.db2.gz	HJYQHNZJOCPURW-SANMLTNESA-N	0	0	441.531	6.124	50	30		IKEARN
CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000004045883	569458391	/nfs/dbraw/zinc/45/83/91/569458391.db2.gz	RAIRZMOPSFWTGI-UHFFFAOYSA-N	0	0	446.532	5.557	50	30		IKEARN
COc1ccc(N2Cc3ccccc3C2=NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	ZINC000254898402	569458483	/nfs/dbraw/zinc/45/84/83/569458483.db2.gz	QJAGHBOYBSOUKL-UHFFFAOYSA-N	0	0	440.421	5.330	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c1	ZINC000004065378	569458550	/nfs/dbraw/zinc/45/85/50/569458550.db2.gz	XBHTYHCLKUPMKQ-QDJRPKQISA-N	0	0	435.618	6.302	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)c(C)c1	ZINC000004065381	569458573	/nfs/dbraw/zinc/45/85/73/569458573.db2.gz	IOOUDWXTOUJXHG-SLJQUXCSSA-N	0	0	449.645	6.610	50	30		IKEARN
C[C@@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1	ZINC000004108364	569459096	/nfs/dbraw/zinc/45/90/96/569459096.db2.gz	IBIGNXGUBHLRGR-SYHVYMAQSA-N	0	0	449.645	6.423	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)cc1	ZINC000004109143	569459103	/nfs/dbraw/zinc/45/91/03/569459103.db2.gz	BVJSFNFFKGSJEW-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\CCc2ccccc2)N(C2CCCCC2)C1=O	ZINC000004108365	569459125	/nfs/dbraw/zinc/45/91/25/569459125.db2.gz	XXKXHEMQEIRIBP-SLJQUXCSSA-N	0	0	449.645	5.904	50	30		IKEARN
C[C@H](/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1)c1ccccc1	ZINC000004108362	569459145	/nfs/dbraw/zinc/45/91/45/569459145.db2.gz	IBIGNXGUBHLRGR-RYHPPPEMSA-N	0	0	449.645	6.423	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C1	ZINC000004156084	569460550	/nfs/dbraw/zinc/46/05/50/569460550.db2.gz	UDUQVXVCJJJQOK-INIZCTEOSA-N	0	0	426.582	5.359	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc([N+](=O)[O-])o1)N2	ZINC000004165203	569460622	/nfs/dbraw/zinc/46/06/22/569460622.db2.gz	MIXRBHVLJOQBJI-QHCPKHFHSA-N	0	0	429.432	5.005	50	30		IKEARN
Cc1cc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-]	ZINC000004177384	569460718	/nfs/dbraw/zinc/46/07/18/569460718.db2.gz	WHWAPFYASGRGBF-YBFXNURJSA-N	0	0	439.880	5.708	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2)c1	ZINC000004211417	569460994	/nfs/dbraw/zinc/46/09/94/569460994.db2.gz	XSMQONLGAOTDJP-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000066437602	569462157	/nfs/dbraw/zinc/46/21/57/569462157.db2.gz	UYRZMXBDNRPXEX-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1ccc(NC(=NC(=O)c2ccccc2)NCCc2c[nH]c3ccccc23)cc1Cl	ZINC000066437784	569462170	/nfs/dbraw/zinc/46/21/70/569462170.db2.gz	TZOYNRWZYBMMNJ-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12	ZINC000066437747	569462174	/nfs/dbraw/zinc/46/21/74/569462174.db2.gz	LNQQSOLWYZOADD-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1ccc(Cl)cc1	ZINC000066437787	569462195	/nfs/dbraw/zinc/46/21/95/569462195.db2.gz	CIMPTTBMBVQWGY-UHFFFAOYSA-N	0	0	434.902	5.401	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(OC)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000066437676	569462201	/nfs/dbraw/zinc/46/22/01/569462201.db2.gz	NKNCACWAWHREOM-UHFFFAOYSA-N	0	0	440.547	5.180	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1F	ZINC000066437715	569462208	/nfs/dbraw/zinc/46/22/08/569462208.db2.gz	NXWOZKMSVLSGSK-UHFFFAOYSA-N	0	0	432.474	5.195	50	30		IKEARN
O=C(/C=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1	ZINC000008398626	569463235	/nfs/dbraw/zinc/46/32/35/569463235.db2.gz	FCMDBCYIDNQJGM-XHQRYOPUSA-N	0	0	430.503	7.271	50	30		IKEARN
Clc1ccc(/C=N/n2cc(-c3ccccc3)n3cc(-c4ccccc4)nc23)c(Cl)c1	ZINC000008437369	569464317	/nfs/dbraw/zinc/46/43/17/569464317.db2.gz	VFVSXPCJCHEBLZ-MZJWZYIUSA-N	0	0	431.326	6.659	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1C(F)(F)F)CCCCCC2	ZINC000008451259	569465115	/nfs/dbraw/zinc/46/51/15/569465115.db2.gz	MTZVYYZKMXLUCO-UHFFFAOYSA-N	0	0	437.462	5.501	50	30		IKEARN
COc1cc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O	ZINC000008464172	569465353	/nfs/dbraw/zinc/46/53/53/569465353.db2.gz	QAUAXJHIFMEREE-QFIPXVFZSA-N	0	0	449.890	5.146	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1	ZINC000008708330	569470678	/nfs/dbraw/zinc/47/06/78/569470678.db2.gz	ZEZDCDHKXDNEGP-UHFFFAOYSA-N	0	0	427.529	5.230	50	30		IKEARN
C[C@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N	ZINC000008710563	569470949	/nfs/dbraw/zinc/47/09/49/569470949.db2.gz	WWYDROZIJODPRT-HNNXBMFYSA-N	0	0	436.309	5.552	50	30		IKEARN
O=C(/C=C\c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1)c1ccccc1	ZINC000008733365	569472480	/nfs/dbraw/zinc/47/24/80/569472480.db2.gz	XXGSRDUICMHAEF-JYRVWZFOSA-N	0	0	433.312	5.657	50	30		IKEARN
COC(=O)C1=C(Nc2ccc(Cl)c(Cl)c2)SC(=Cc2c[nH]c3ccccc23)C1=O	ZINC000008750238	569473378	/nfs/dbraw/zinc/47/33/78/569473378.db2.gz	ZITXVNOSCMJZKG-IUXPMGMMSA-N	0	0	445.327	5.628	50	30		IKEARN
C=CCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1	ZINC000008751896	569473446	/nfs/dbraw/zinc/47/34/46/569473446.db2.gz	TYZPBQZNVYCPOV-MOHJPFBDSA-N	0	0	439.300	6.416	50	30		IKEARN
N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccccc2Cl)c1	ZINC000008762204	569474292	/nfs/dbraw/zinc/47/42/92/569474292.db2.gz	HCRJJGHBIMLRAE-UHFFFAOYSA-N	0	0	433.747	6.922	50	30		IKEARN
CCCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N	ZINC000008762245	569474312	/nfs/dbraw/zinc/47/43/12/569474312.db2.gz	GCQQSPIOWIGOTM-UHFFFAOYSA-N	0	0	429.376	6.436	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1SCc1ccccc1	ZINC000008762679	569474371	/nfs/dbraw/zinc/47/43/71/569474371.db2.gz	WCLRORKFCRCLKV-WYMPLXKRSA-N	0	0	447.343	6.745	50	30		IKEARN
CCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1	ZINC000008771146	569475159	/nfs/dbraw/zinc/47/51/59/569475159.db2.gz	CWOVYILZBWGNOO-JOCHJYFZSA-N	0	0	442.563	5.039	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000008781566	569475643	/nfs/dbraw/zinc/47/56/43/569475643.db2.gz	IHZNGCXIKMSNGQ-DXXYHEOZSA-N	0	0	439.468	5.671	50	30		IKEARN
COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@@H](C(C)(C)C)CC3)c1	ZINC000008781202	569475646	/nfs/dbraw/zinc/47/56/46/569475646.db2.gz	ZTOMHXIHDYCCPG-SFHVURJKSA-N	0	0	448.657	7.134	50	30		IKEARN
COc1ccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000008780998	569475677	/nfs/dbraw/zinc/47/56/77/569475677.db2.gz	SFHBNSRSDZRFBW-CIAFOILYSA-N	0	0	449.488	5.372	50	30		IKEARN
CCCCn1c(NC(=O)c2ccccc2OC)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000008781756	569475709	/nfs/dbraw/zinc/47/57/09/569475709.db2.gz	VEPPOBBDAPWJBZ-UHFFFAOYSA-N	0	0	449.554	6.755	50	30		IKEARN
CC(C)(C)C(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N21	ZINC000008783645	569475870	/nfs/dbraw/zinc/47/58/70/569475870.db2.gz	DGLHXLMBPUNVAZ-VSKRKVRLSA-N	0	0	449.476	5.722	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(F)cc3)c2C#N)cc1	ZINC000008809574	569476511	/nfs/dbraw/zinc/47/65/11/569476511.db2.gz	TWNWFMSUSCLWLP-UHFFFAOYSA-N	0	0	426.516	6.727	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(F)c3)c2C#N)cc1	ZINC000008809688	569476524	/nfs/dbraw/zinc/47/65/24/569476524.db2.gz	RSMBRVQTODUDDZ-UHFFFAOYSA-N	0	0	426.516	6.727	50	30		IKEARN
CC(C)OC(=O)CC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008809601	569476545	/nfs/dbraw/zinc/47/65/45/569476545.db2.gz	NQYNPTKVKGJQNX-UHFFFAOYSA-N	0	0	430.529	5.290	50	30		IKEARN
Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1	ZINC000008818469	569477046	/nfs/dbraw/zinc/47/70/46/569477046.db2.gz	QFYJFHQZABJNML-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
N#CCCn1cc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)c2ccccc21	ZINC000008824973	569477298	/nfs/dbraw/zinc/47/72/98/569477298.db2.gz	QBGCCKOZTJQMGK-UHFFFAOYSA-N	0	0	428.348	5.781	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1	ZINC000008827438	569477612	/nfs/dbraw/zinc/47/76/12/569477612.db2.gz	VPBQKMPLLZBNJV-NRFANRHFSA-N	0	0	444.512	5.181	50	30		IKEARN
COc1ccc(-c2oc(/N=C/N3CCCCCC3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000008837247	569478123	/nfs/dbraw/zinc/47/81/23/569478123.db2.gz	GVCCWRKLYXYUHA-MTDXEUNCSA-N	0	0	429.520	6.038	50	30		IKEARN
COc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1	ZINC000008844527	569478609	/nfs/dbraw/zinc/47/86/09/569478609.db2.gz	VHKIOYDTNRZTMB-UHFFFAOYSA-N	0	0	435.867	5.659	50	30		IKEARN
N#Cc1c(SCCCOc2ccccc2)nc(-c2cccs2)cc1-c1cccc(F)c1	ZINC000008857470	569479853	/nfs/dbraw/zinc/47/98/53/569479853.db2.gz	VNCNSSLTIXGCAH-UHFFFAOYSA-N	0	0	446.572	7.049	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2ccccc2)o1)c1nc(-c2ccccc2)cs1	ZINC000008860914	569479946	/nfs/dbraw/zinc/47/99/46/569479946.db2.gz	WQDFFVMZEGCDPO-UHFFFAOYSA-N	0	0	434.546	5.171	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1	ZINC000008861289	569479995	/nfs/dbraw/zinc/47/99/95/569479995.db2.gz	VVOWAHOVWWCWRD-NSKAYECMSA-N	0	0	443.303	6.338	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccc(C)cc2)SC1=S	ZINC000008872401	569480934	/nfs/dbraw/zinc/48/09/34/569480934.db2.gz	QXFNKSZJMXWNEQ-ZHZULCJRSA-N	0	0	445.993	5.493	50	30		IKEARN
FC(F)(F)c1ccccc1CN=Nc1nc(Nc2ccccc2)nc(N2CCCCC2)n1	ZINC000008872374	569480967	/nfs/dbraw/zinc/48/09/67/569480967.db2.gz	VYEYNXYGEZNVMX-CVKSISIWSA-N	0	0	441.461	5.070	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2cccc(OCCCOc3ccccc3Cl)c2)cc1	ZINC000008874978	569481083	/nfs/dbraw/zinc/48/10/83/569481083.db2.gz	GASUOOKYOUCKER-LFVJCYFKSA-N	0	0	425.872	5.542	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c1C	ZINC000008886298	569483217	/nfs/dbraw/zinc/48/32/17/569483217.db2.gz	NWCLVJQCBKLLNE-HTAPYJJXSA-N	0	0	449.624	5.671	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc43)n2C2CC2)c1C	ZINC000008894104	569483656	/nfs/dbraw/zinc/48/36/56/569483656.db2.gz	AMZSAFUXTCPTFQ-UHFFFAOYSA-N	0	0	431.565	5.341	50	30		IKEARN
COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000040049307	569483868	/nfs/dbraw/zinc/48/38/68/569483868.db2.gz	YFHUGTGNTPUARE-DLBZAZTESA-N	0	0	444.560	5.034	50	30		IKEARN
COc1ccccc1[C@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000040049306	569483875	/nfs/dbraw/zinc/48/38/75/569483875.db2.gz	YFHUGTGNTPUARE-IRXDYDNUSA-N	0	0	444.560	5.034	50	30		IKEARN
C=CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(C)cc1)c1ccccc1	ZINC000008913028	569485176	/nfs/dbraw/zinc/48/51/76/569485176.db2.gz	LBKKGIHACLJXEJ-UHFFFAOYSA-N	0	0	428.561	5.251	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3s2)cc1	ZINC000008915645	569485550	/nfs/dbraw/zinc/48/55/50/569485550.db2.gz	MYKLJRRQRBXPSB-QJOMJCCJSA-N	0	0	427.569	7.242	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000008915603	569485578	/nfs/dbraw/zinc/48/55/78/569485578.db2.gz	YBODEBHEIYPRLC-PLRJNAJWSA-N	0	0	439.555	7.554	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008919075	569486385	/nfs/dbraw/zinc/48/63/85/569486385.db2.gz	HKJLZQPFRGSVSO-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000008919080	569486425	/nfs/dbraw/zinc/48/64/25/569486425.db2.gz	HKJLZQPFRGSVSO-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1cccc2ccccc21	ZINC000008926857	569487312	/nfs/dbraw/zinc/48/73/12/569487312.db2.gz	IBBMSKMQHGJUTR-JOCHJYFZSA-N	0	0	435.907	5.108	50	30		IKEARN
Cc1ccc(NC=C2SC(=Nc3ccc(Br)cc3)N(C)C2=O)cc1Cl	ZINC000008927948	569487383	/nfs/dbraw/zinc/48/73/83/569487383.db2.gz	FUVQAWZQDAPQMG-YWGDSDGQSA-N	0	0	436.762	5.557	50	30		IKEARN
O=C(/C=C/c1cc(Cl)cc2c1OCOC2)c1cc(Cl)ccc1OCc1ccccc1	ZINC000008934201	569487938	/nfs/dbraw/zinc/48/79/38/569487938.db2.gz	BJLHGORFIZVQSD-SOFGYWHQSA-N	0	0	441.310	6.335	50	30		IKEARN
CC(C)(C)c1ccc(-c2cc(-c3cccs3)nc(SCc3cccs3)c2C#N)cc1	ZINC000008951205	569489783	/nfs/dbraw/zinc/48/97/83/569489783.db2.gz	DZSOKWBDDKKZGJ-UHFFFAOYSA-N	0	0	446.666	8.000	50	30		IKEARN
COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@@H](C(C)(C)C)CC3)c1	ZINC000008965037	569491317	/nfs/dbraw/zinc/49/13/17/569491317.db2.gz	KAXHYVZWVXAUCZ-SFHVURJKSA-N	0	0	448.657	7.134	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1	ZINC000008965075	569491321	/nfs/dbraw/zinc/49/13/21/569491321.db2.gz	ISXHHSLHOQHZBA-ZLNRFVROSA-N	0	0	441.943	5.686	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1	ZINC000040140473	569491628	/nfs/dbraw/zinc/49/16/28/569491628.db2.gz	QZLAYNKWUAXCBM-UONOGXRCSA-N	0	0	426.489	5.009	50	30		IKEARN
N#Cc1c2c(c(-c3ccccc3)nc1SCc1ccc(Cl)c(Cl)c1)CCCC2	ZINC000008986388	569494838	/nfs/dbraw/zinc/49/48/38/569494838.db2.gz	OBFFEOPTOOZOIJ-UHFFFAOYSA-N	0	0	425.384	7.098	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1OC	ZINC000008990242	569495020	/nfs/dbraw/zinc/49/50/20/569495020.db2.gz	CIZPPTWAPUYTET-UHFFFAOYSA-N	0	0	430.451	5.949	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1	ZINC000008993431	569495421	/nfs/dbraw/zinc/49/54/21/569495421.db2.gz	MCCWDRZGIFZKMH-ZMOGYAJESA-N	0	0	425.440	5.022	50	30		IKEARN
O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c1	ZINC000008994318	569495541	/nfs/dbraw/zinc/49/55/41/569495541.db2.gz	VMSSRFACACSPJK-YXCSQOMQSA-N	0	0	446.510	6.701	50	30		IKEARN
CCCC[S@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N	ZINC000008994479	569495551	/nfs/dbraw/zinc/49/55/51/569495551.db2.gz	IEZCROJHWUNORM-HHHXNRCGSA-N	0	0	439.378	5.957	50	30		IKEARN
O=C(/C=C/c1ccccc1Cl)c1cc(F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009007825	569496155	/nfs/dbraw/zinc/49/61/55/569496155.db2.gz	OOVWIWHLUZYJGQ-YRNVUSSQSA-N	0	0	425.799	5.503	50	30		IKEARN
COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O	ZINC000009034257	569497265	/nfs/dbraw/zinc/49/72/65/569497265.db2.gz	XCZAGJVIWOAYNA-BRJLIKDPSA-N	0	0	439.302	5.764	50	30		IKEARN
CCOc1ccc(C(Cc2ccccc2)N=Nc2ncnc3sc4c(c32)CCCC4)cc1	ZINC000009042118	569497643	/nfs/dbraw/zinc/49/76/43/569497643.db2.gz	WSIPHGISJCYIKB-IADYIPOJSA-N	0	0	442.588	6.028	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009043464	569497853	/nfs/dbraw/zinc/49/78/53/569497853.db2.gz	WVONAXLVMLGYRK-OAQYLSRUSA-N	0	0	448.544	5.250	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009043377	569497874	/nfs/dbraw/zinc/49/78/74/569497874.db2.gz	QNFJCCBMDFQFHQ-OAQYLSRUSA-N	0	0	432.545	5.666	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1cccs1	ZINC000009047256	569498522	/nfs/dbraw/zinc/49/85/22/569498522.db2.gz	WAXGYPVOTDROEF-LSCVHKIXSA-N	0	0	440.860	5.103	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4[nH]3)c2)cc1	ZINC000009057718	569499215	/nfs/dbraw/zinc/49/92/15/569499215.db2.gz	CXGDABXXZBWRFX-NTUHNPAUSA-N	0	0	430.529	5.769	50	30		IKEARN
C=CCN1c2ccccc2[C@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O	ZINC000009066589	569499929	/nfs/dbraw/zinc/49/99/29/569499929.db2.gz	XBTHNDWNMHJLBQ-OZXSUGGESA-N	0	0	441.918	5.269	50	30		IKEARN
Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1	ZINC000009076104	569500319	/nfs/dbraw/zinc/50/03/19/569500319.db2.gz	ATNYRXDKWFKKHU-BRJLIKDPSA-N	0	0	435.321	6.639	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009086250	569500585	/nfs/dbraw/zinc/50/05/85/569500585.db2.gz	VLDHWJMTQONKAI-HSZRJFAPSA-N	0	0	429.516	5.664	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009086251	569500625	/nfs/dbraw/zinc/50/06/25/569500625.db2.gz	VLDHWJMTQONKAI-QHCPKHFHSA-N	0	0	429.516	5.664	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000245241927	569501183	/nfs/dbraw/zinc/50/11/83/569501183.db2.gz	UELTYJDTQILMTO-OHRFLYHBSA-N	0	0	446.553	6.671	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccccc2Cl)SC1=S	ZINC000009113192	569502532	/nfs/dbraw/zinc/50/25/32/569502532.db2.gz	JIUOZIIBMSTVIA-WQRHYEAKSA-N	0	0	446.937	5.214	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000009123673	569504196	/nfs/dbraw/zinc/50/41/96/569504196.db2.gz	IPXNMDZBBAOBAZ-LJQANCHMSA-N	0	0	438.936	5.505	50	30		IKEARN
O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12	ZINC000009124690	569504406	/nfs/dbraw/zinc/50/44/06/569504406.db2.gz	GIOTYPOMJYHBOR-MZNJEOGPSA-N	0	0	426.907	5.500	50	30		IKEARN
O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12	ZINC000009124689	569504449	/nfs/dbraw/zinc/50/44/49/569504449.db2.gz	GIOTYPOMJYHBOR-XDHUDOTRSA-N	0	0	426.907	5.500	50	30		IKEARN
N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc21	ZINC000009124958	569504559	/nfs/dbraw/zinc/50/45/59/569504559.db2.gz	BYVGWPDSOQNNSW-UHFFFAOYSA-N	0	0	441.874	5.222	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000009129327	569505685	/nfs/dbraw/zinc/50/56/85/569505685.db2.gz	MYVLDOMCMVGUBS-IBGZPJMESA-N	0	0	449.978	5.997	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H]3CCc4ccccc4C3=O)n2)cc1	ZINC000009129358	569505687	/nfs/dbraw/zinc/50/56/87/569505687.db2.gz	FLHYFJDGWJRGJG-HHHXNRCGSA-N	0	0	446.575	6.886	50	30		IKEARN
COc1cccc([C@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc32)c1OC	ZINC000009129466	569505716	/nfs/dbraw/zinc/50/57/16/569505716.db2.gz	WOOGOCIEDKHGGR-NRFANRHFSA-N	0	0	442.475	5.209	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H]3CCc4ccccc4C3=O)n2)cc1	ZINC000009129359	569505719	/nfs/dbraw/zinc/50/57/19/569505719.db2.gz	FLHYFJDGWJRGJG-MHZLTWQESA-N	0	0	446.575	6.886	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(Cl)cc1)OCO4	ZINC000009129446	569505720	/nfs/dbraw/zinc/50/57/20/569505720.db2.gz	NVUKDOCYWMUCEB-LJQANCHMSA-N	0	0	433.935	5.708	50	30		IKEARN
C=C(C)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1	ZINC000009130747	569506096	/nfs/dbraw/zinc/50/60/96/569506096.db2.gz	LXWHWEQAUGUIRL-UHFFFAOYSA-N	0	0	434.414	5.440	50	30		IKEARN
O=[N+]([O-])c1ccc2nc(-c3ccc(NC4=NCCCS4)cc3)cc(-c3ccccc3)c2c1	ZINC000009130836	569506196	/nfs/dbraw/zinc/50/61/96/569506196.db2.gz	RQCKMMBUXRDLBK-UHFFFAOYSA-N	0	0	440.528	6.191	50	30		IKEARN
CN(C)c1ccc(C(=NC(=O)c2cccc(OC(F)F)c2)c2ccc(N(C)C)cc2)cc1	ZINC000009139381	569507231	/nfs/dbraw/zinc/50/72/31/569507231.db2.gz	PVDMQVBWQQBBKX-UHFFFAOYSA-N	0	0	437.490	5.098	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1cccc(Br)c1	ZINC000009152907	569507920	/nfs/dbraw/zinc/50/79/20/569507920.db2.gz	XKEPVSNMDWHMTM-LJQANCHMSA-N	0	0	448.364	6.040	50	30		IKEARN
C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N	ZINC000009156566	569508372	/nfs/dbraw/zinc/50/83/72/569508372.db2.gz	IVLRFJOLVJKSBI-MRXNPFEDSA-N	0	0	432.574	5.331	50	30		IKEARN
N#Cc1c2c(c(-c3ccccc3)nc1SCc1c(Cl)cccc1Cl)CCCC2	ZINC000009158023	569508465	/nfs/dbraw/zinc/50/84/65/569508465.db2.gz	CCDWEYPOLRKWNU-UHFFFAOYSA-N	0	0	425.384	7.098	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccccc1Cl	ZINC000009158174	569508474	/nfs/dbraw/zinc/50/84/74/569508474.db2.gz	YWMSGJZBEPEUPC-JAIQZWGSSA-N	0	0	429.230	5.968	50	30		IKEARN
Cc1sc2nc(SCC(=O)[C@@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C	ZINC000009164937	569508771	/nfs/dbraw/zinc/50/87/71/569508771.db2.gz	YIPKUUCMKLNCEH-IBGZPJMESA-N	0	0	445.569	5.033	50	30		IKEARN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000009177725	569509710	/nfs/dbraw/zinc/50/97/10/569509710.db2.gz	KQQBUTFVBPHWHZ-QFIPXVFZSA-N	0	0	446.890	5.081	50	30		IKEARN
N#Cc1c2c(sc1NC(=S)Nc1sc3c(c1C#N)CCCCC3)CCCCC2	ZINC000009183489	569509841	/nfs/dbraw/zinc/50/98/41/569509841.db2.gz	GSGRQVQDPULTHN-UHFFFAOYSA-N	0	0	426.636	5.900	50	30		IKEARN
Cc1ccc(Nc2c(C#N)c3c(c4nnc(SCCC(C)C)n42)COC(C)(C)C3)cc1	ZINC000009187343	569510295	/nfs/dbraw/zinc/51/02/95/569510295.db2.gz	MNUMIOUVIUNZAV-UHFFFAOYSA-N	0	0	435.597	5.643	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O	ZINC000009189713	569510549	/nfs/dbraw/zinc/51/05/49/569510549.db2.gz	XIXVULHATPSHKV-GFCCVEGCSA-N	0	0	449.363	5.263	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)nnc1-c1ccncc1	ZINC000009192504	569510750	/nfs/dbraw/zinc/51/07/50/569510750.db2.gz	IPYARAGDSRHVSO-UHFFFAOYSA-N	0	0	447.539	5.048	50	30		IKEARN
COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@@H](C)C#N	ZINC000009209121	569511522	/nfs/dbraw/zinc/51/15/22/569511522.db2.gz	BLQNXUMHAQWJRA-SFHVURJKSA-N	0	0	442.544	5.526	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC=C)cc2)cc1	ZINC000009215743	569512029	/nfs/dbraw/zinc/51/20/29/569512029.db2.gz	SIXRAWDDQDJTPY-XCZPVHLTSA-N	0	0	438.527	6.059	50	30		IKEARN
N#Cc1c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)sc2c1C1CCN2CC1	ZINC000009233651	569513867	/nfs/dbraw/zinc/51/38/67/569513867.db2.gz	JOKKUEFGUMAAPB-WKULSOCRSA-N	0	0	443.616	6.241	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009234752	569513986	/nfs/dbraw/zinc/51/39/86/569513986.db2.gz	VKFFDQKYTSFJKJ-HXUWFJFHSA-N	0	0	430.485	5.289	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000009237382	569514220	/nfs/dbraw/zinc/51/42/20/569514220.db2.gz	FELDPBAPVBFUGX-QFIPXVFZSA-N	0	0	440.524	5.696	50	30		IKEARN
N#Cc1ccccc1/C=N/c1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1	ZINC000009239770	569514562	/nfs/dbraw/zinc/51/45/62/569514562.db2.gz	OCZSBAXWOFPOEE-BIZUNTBRSA-N	0	0	443.937	7.844	50	30		IKEARN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2cc(C)c3ccccc3n2)c1C#N	ZINC000009245682	569515411	/nfs/dbraw/zinc/51/54/11/569515411.db2.gz	LIDYPJUDHWFTSH-UHFFFAOYSA-N	0	0	430.533	5.205	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(Cl)c(Cl)c2)C1=O	ZINC000009246690	569515458	/nfs/dbraw/zinc/51/54/58/569515458.db2.gz	DIVLXFWHENWOGG-BOPFTXTBSA-N	0	0	434.344	5.845	50	30		IKEARN
Cc1ccsc1-c1c(C#N)c(SCC(=O)Nc2nccs2)nc2c1CCCC2	ZINC000009254138	569516312	/nfs/dbraw/zinc/51/63/12/569516312.db2.gz	GCHJWBWRAHFLQJ-UHFFFAOYSA-N	0	0	426.592	5.056	50	30		IKEARN
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1	ZINC000009257425	569516816	/nfs/dbraw/zinc/51/68/16/569516816.db2.gz	IROCIONOFJSNBJ-UHFFFAOYSA-N	0	0	443.985	5.378	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009261473	569516925	/nfs/dbraw/zinc/51/69/25/569516925.db2.gz	AFXVEHLHXHVVBO-RHSMWYFYSA-N	0	0	444.988	5.318	50	30		IKEARN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000009271115	569517736	/nfs/dbraw/zinc/51/77/36/569517736.db2.gz	MCVJPECZYLSNJA-OAQYLSRUSA-N	0	0	442.496	5.088	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000009271494	569517764	/nfs/dbraw/zinc/51/77/64/569517764.db2.gz	UUYCYWLPNAIMEE-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000009271602	569517798	/nfs/dbraw/zinc/51/77/98/569517798.db2.gz	UIMJMNCRBOQYJC-SFHVURJKSA-N	0	0	440.546	5.003	50	30		IKEARN
O=C1C(=O)N(c2ccc(F)cc2)[C@@H](c2cccc(F)c2)C1=C([O-])c1ccc(Cl)cc1	ZINC000009272480	569517908	/nfs/dbraw/zinc/51/79/08/569517908.db2.gz	IRHZEHRSRKIZRW-FQEVSTJZSA-N	0	0	425.818	5.401	50	30		IKEARN
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1	ZINC000009281180	569518553	/nfs/dbraw/zinc/51/85/53/569518553.db2.gz	QUZVRGOKRCQNPD-UUYOSTAYSA-N	0	0	438.838	5.461	50	30		IKEARN
COc1ccc2c(c1)c(CN=Nc1ncnc3scc(-c4ccccc4)c31)c(C)n2C	ZINC000009293176	569520162	/nfs/dbraw/zinc/52/01/62/569520162.db2.gz	BNWBHBFIFIHSHO-KKMKTNMSSA-N	0	0	427.533	5.613	50	30		IKEARN
COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1	ZINC000009296483	569520444	/nfs/dbraw/zinc/52/04/44/569520444.db2.gz	CDXAPZWHOYAPTG-ZMOGYAJESA-N	0	0	437.908	5.624	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1	ZINC000009296664	569520509	/nfs/dbraw/zinc/52/05/09/569520509.db2.gz	RYESILVHBIXAHY-CJLVFECKSA-N	0	0	444.512	5.196	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)c(Cl)c1)C2=O	ZINC000009305195	569521215	/nfs/dbraw/zinc/52/12/15/569521215.db2.gz	ZYWLIPCLIKKAIW-QWQNUTRASA-N	0	0	437.278	6.228	50	30		IKEARN
Cc1cc(SCCOc2ccc(Br)cc2)n2c3ccccc3nc2c1C#N	ZINC000009308134	569521434	/nfs/dbraw/zinc/52/14/34/569521434.db2.gz	WIYDEASSBAMOBN-UHFFFAOYSA-N	0	0	438.350	5.601	50	30		IKEARN
Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@@H](C)c2ccccc2)cc1	ZINC000009308084	569521437	/nfs/dbraw/zinc/52/14/37/569521437.db2.gz	VDOMZKUFTRTACE-NRFANRHFSA-N	0	0	430.555	6.740	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1SCC(=O)Nc1cccc(Cl)c1	ZINC000009307710	569521464	/nfs/dbraw/zinc/52/14/64/569521464.db2.gz	CMHAPEPZQVPPSM-UHFFFAOYSA-N	0	0	434.952	5.614	50	30		IKEARN
COc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)n2-c2ccccc2)C(C)=O)cc1	ZINC000009309984	569521694	/nfs/dbraw/zinc/52/16/94/569521694.db2.gz	BJFHCJZPMQNTKC-SLEBQGDGSA-N	0	0	443.532	5.050	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009333841	569523105	/nfs/dbraw/zinc/52/31/05/569523105.db2.gz	DTIKOKWTKCGQDW-NRFANRHFSA-N	0	0	446.572	5.840	50	30		IKEARN
COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000009331658	569523150	/nfs/dbraw/zinc/52/31/50/569523150.db2.gz	ZSRYAQQDQCAALM-XXFSOJTLSA-N	0	0	425.484	5.186	50	30		IKEARN
Cc1ccc2nc(Cl)c(CN=Nc3ncnc4scc(-c5ccccc5)c43)cc2c1	ZINC000009344914	569524077	/nfs/dbraw/zinc/52/40/77/569524077.db2.gz	HQBLLKDCQVQDDC-LUOAPIJWSA-N	0	0	429.936	6.314	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2cccnc2c1	ZINC000009354802	569525111	/nfs/dbraw/zinc/52/51/11/569525111.db2.gz	PWYPCMVWQCPFOW-GXDHUFHOSA-N	0	0	434.926	7.308	50	30		IKEARN
CC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2cccc3ccccc32)C1=O	ZINC000009357285	569525623	/nfs/dbraw/zinc/52/56/23/569525623.db2.gz	ZETWLCDQKVYEKX-STXSBSPXSA-N	0	0	447.560	5.101	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000009359086	569525666	/nfs/dbraw/zinc/52/56/66/569525666.db2.gz	NFUIYLGWKYQGAO-IFMALSPDSA-N	0	0	439.939	5.221	50	30		IKEARN
N#Cc1cc2c(nc1SC/C=C/CSc1nc3c(cc1C#N)CCCC3)CCCC2	ZINC000009371090	569526946	/nfs/dbraw/zinc/52/69/46/569526946.db2.gz	DLBYDFDYRBXKHX-AATRIKPKSA-N	0	0	432.618	5.418	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000009374865	569527229	/nfs/dbraw/zinc/52/72/29/569527229.db2.gz	RGKVZZAQWZAPHF-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000009380471	569527883	/nfs/dbraw/zinc/52/78/83/569527883.db2.gz	BFKTYGRUIHVHPY-DEOSSOPVSA-N	0	0	445.946	6.555	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000009380305	569527897	/nfs/dbraw/zinc/52/78/97/569527897.db2.gz	YKUIWDOCWKLGNG-PIIWDFAUSA-N	0	0	440.562	7.103	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2cc(Cl)ccc2Cl)sc1Cc1ccc2c(c1)OCO2	ZINC000009390672	569528698	/nfs/dbraw/zinc/52/86/98/569528698.db2.gz	WVMCQHGNZXPBOH-UHFFFAOYSA-N	0	0	445.327	5.807	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2cc(Cl)cc(Cl)c2)sc1Cc1ccc2c(c1)OCO2	ZINC000009390673	569528735	/nfs/dbraw/zinc/52/87/35/569528735.db2.gz	ACENVVRWTAILNE-UHFFFAOYSA-N	0	0	445.327	5.807	50	30		IKEARN
N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000009404398	569529679	/nfs/dbraw/zinc/52/96/79/569529679.db2.gz	UFQOWJWPTUMMCJ-JFLMPSFJSA-N	0	0	441.265	6.475	50	30		IKEARN
N#Cc1c(SCCCC(=O)N2CCc3ccccc32)nc2c(c1C(F)(F)F)CCCC2	ZINC000009421955	569532813	/nfs/dbraw/zinc/53/28/13/569532813.db2.gz	GMRWIAUGJQFHOL-UHFFFAOYSA-N	0	0	445.510	5.312	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000009421960	569532829	/nfs/dbraw/zinc/53/28/29/569532829.db2.gz	LQDBMUVTXLKXQX-UVHMKAGCSA-N	0	0	439.511	6.173	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C	ZINC000009421964	569532849	/nfs/dbraw/zinc/53/28/49/569532849.db2.gz	RKJRSYUEALDFKR-OPEKNORGSA-N	0	0	445.902	6.036	50	30		IKEARN
Cc1c2c(ccc1OC(=O)/C=C/c1ccccc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009421952	569532859	/nfs/dbraw/zinc/53/28/59/569532859.db2.gz	OVYJDMMALFZLBV-KHSOTRJGSA-N	0	0	435.479	5.722	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000009423331	569532927	/nfs/dbraw/zinc/53/29/27/569532927.db2.gz	DXFFEHIMWOHUBZ-MRXNPFEDSA-N	0	0	429.511	6.287	50	30		IKEARN
COc1cccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1	ZINC000009423947	569533026	/nfs/dbraw/zinc/53/30/26/569533026.db2.gz	CMIGNURCZBRVSR-AFUMVMLFSA-N	0	0	425.484	5.691	50	30		IKEARN
N#CC(=NNc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1	ZINC000009428198	569533465	/nfs/dbraw/zinc/53/34/65/569533465.db2.gz	XZPYWJWCOKJINJ-XHPQRKPJSA-N	0	0	433.334	6.066	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000009428052	569533486	/nfs/dbraw/zinc/53/34/86/569533486.db2.gz	BZGYMWPZTVCURX-IBGZPJMESA-N	0	0	428.271	5.365	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1	ZINC000009433801	569534624	/nfs/dbraw/zinc/53/46/24/569534624.db2.gz	FBYPDFQFWBGNMS-LJQANCHMSA-N	0	0	428.271	5.365	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(OCc2ccccc2)cc1	ZINC000009445144	569535801	/nfs/dbraw/zinc/53/58/01/569535801.db2.gz	MFSGMVZXTSGGOA-SDNWHVSQSA-N	0	0	449.333	7.729	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000009446421	569535875	/nfs/dbraw/zinc/53/58/75/569535875.db2.gz	QBVIKVKNAFUIKY-KFGDZMGLSA-N	0	0	425.484	5.268	50	30		IKEARN
CCCC[C@@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O	ZINC000009457637	569536772	/nfs/dbraw/zinc/53/67/72/569536772.db2.gz	ZPBMBACIKDGMLR-HHKSSKBBSA-N	0	0	429.973	5.373	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000009461891	569537179	/nfs/dbraw/zinc/53/71/79/569537179.db2.gz	TYUVPQDJSGGILT-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009465137	569537864	/nfs/dbraw/zinc/53/78/64/569537864.db2.gz	AGIIGYPVATZIIW-UVQVWFEYSA-N	0	0	444.604	5.540	50	30		IKEARN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc3ccccc3n2C(C)C)c1C#N	ZINC000009467440	569538378	/nfs/dbraw/zinc/53/83/78/569538378.db2.gz	CPDIIEMULPPGAW-UHFFFAOYSA-N	0	0	447.564	5.279	50	30		IKEARN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)[C@H](C#N)c2nc(C)cs2)cc1	ZINC000009468671	569538695	/nfs/dbraw/zinc/53/86/95/569538695.db2.gz	UNPLLBGUYFGDCX-SFHVURJKSA-N	0	0	448.573	5.158	50	30		IKEARN
CCOc1ccc(-n2c3nc(SCC#N)n4c5ccccc5nc4c3sc2=S)cc1	ZINC000009474066	569539028	/nfs/dbraw/zinc/53/90/28/569539028.db2.gz	VUOCNRSSEQQBIG-UHFFFAOYSA-N	0	0	449.586	5.632	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009477488	569539228	/nfs/dbraw/zinc/53/92/28/569539228.db2.gz	IDCWOTQNBMNRCN-JOCHJYFZSA-N	0	0	448.906	5.307	50	30		IKEARN
CC(C)=CCOc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O	ZINC000009486802	569539673	/nfs/dbraw/zinc/53/96/73/569539673.db2.gz	XCANVDHZGAROIG-UKWGHVSLSA-N	0	0	443.293	5.277	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1Cl	ZINC000009499961	569541495	/nfs/dbraw/zinc/54/14/95/569541495.db2.gz	VJJSHCPNRQQKBD-UHFFFAOYSA-N	0	0	447.391	5.786	50	30		IKEARN
CN(CC(=O)Nc1ccccc1SCC#N)Cc1ccc(-c2ccc(Cl)cc2)o1	ZINC000009502944	569541735	/nfs/dbraw/zinc/54/17/35/569541735.db2.gz	DLFNTZGUSWFCAC-UHFFFAOYSA-N	0	0	425.941	5.286	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000009530892	569545091	/nfs/dbraw/zinc/54/50/91/569545091.db2.gz	PUNJQDNEQDEVMZ-QKKBWIMNSA-N	0	0	425.315	6.248	50	30		IKEARN
C=CCNC(=S)N/N=C/c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12	ZINC000009553634	569546732	/nfs/dbraw/zinc/54/67/32/569546732.db2.gz	QWTWPCQXMXSMLY-MTDXEUNCSA-N	0	0	448.636	5.310	50	30		IKEARN
Cc1cccc(OCCOc2ccc([N+](=O)[O-])cc2C=NN=c2[nH]c3ccccc3s2)c1	ZINC000009553663	569546761	/nfs/dbraw/zinc/54/67/61/569546761.db2.gz	ICYVYXZPHUTFGZ-BUVRLJJBSA-N	0	0	448.504	5.417	50	30		IKEARN
N#Cc1c(SCc2c(Cl)cccc2Cl)nc(-c2cccs2)c2c1CCCC2	ZINC000009554232	569546766	/nfs/dbraw/zinc/54/67/66/569546766.db2.gz	IYLUTEVDAOXVTP-UHFFFAOYSA-N	0	0	431.413	7.160	50	30		IKEARN
C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@H](C)CC)cc2)c2ccccc12	ZINC000009554189	569546794	/nfs/dbraw/zinc/54/67/94/569546794.db2.gz	WLBZRGFXYGYMOQ-IPISDEMTSA-N	0	0	434.609	5.218	50	30		IKEARN
O=C1c2ccc([O-])c(C[NH+]3CCCC3)c2O/C1=C\c1cc2cc(Br)ccc2o1	ZINC000009576519	569548134	/nfs/dbraw/zinc/54/81/34/569548134.db2.gz	XQSFMPSDTNVLTQ-JAIQZWGSSA-N	0	0	440.293	5.113	50	30		IKEARN
Cc1csc([C@@H](C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1	ZINC000009586627	569549740	/nfs/dbraw/zinc/54/97/40/569549740.db2.gz	CSMWJVWQNCSCSY-FQEVSTJZSA-N	0	0	444.585	5.581	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@@H]2c1ccc(Br)cc1	ZINC000009597505	569550950	/nfs/dbraw/zinc/55/09/50/569550950.db2.gz	LMXNIIPRPXQZDN-LJQANCHMSA-N	0	0	448.364	6.040	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009601020	569551541	/nfs/dbraw/zinc/55/15/41/569551541.db2.gz	RKVRSJGSJWAWLW-RCRUUEGKSA-N	0	0	431.535	6.916	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@@H]1COc2ccccc2O1	ZINC000009605888	569551913	/nfs/dbraw/zinc/55/19/13/569551913.db2.gz	IIWIDWWVLSOZEH-QHCPKHFHSA-N	0	0	443.528	5.105	50	30		IKEARN
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000009608802	569552203	/nfs/dbraw/zinc/55/22/03/569552203.db2.gz	ZRZQVYAFRNBQQO-KRWDZBQOSA-N	0	0	427.545	5.002	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCCC3)nnc1-c1ccccc1	ZINC000009632068	569553933	/nfs/dbraw/zinc/55/39/33/569553933.db2.gz	IRJNNDRVKASULE-UHFFFAOYSA-N	0	0	449.605	5.064	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12	ZINC000009635963	569554724	/nfs/dbraw/zinc/55/47/24/569554724.db2.gz	WYQVEHPWYJMRAB-XMMPIXPASA-N	0	0	432.361	6.912	50	30		IKEARN
C=CCn1c(C)cc(C(=O)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)c1C	ZINC000009640296	569555422	/nfs/dbraw/zinc/55/54/22/569555422.db2.gz	YRACFEYJCJSFCC-UHFFFAOYSA-N	0	0	425.532	5.168	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2ccccc2C)o1)c1nc(-c2ccccc2)cs1	ZINC000009644275	569556000	/nfs/dbraw/zinc/55/60/00/569556000.db2.gz	IRDIMHJZZFYSCP-UHFFFAOYSA-N	0	0	448.573	5.480	50	30		IKEARN
C=CCNc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)s1	ZINC000009656248	569556556	/nfs/dbraw/zinc/55/65/56/569556556.db2.gz	JHUANHFKUKKSHJ-UHFFFAOYSA-N	0	0	432.958	5.313	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1ccoc1C	ZINC000009669855	569558145	/nfs/dbraw/zinc/55/81/45/569558145.db2.gz	XOZAJZLWFVQNEG-UHFFFAOYSA-N	0	0	436.537	5.067	50	30		IKEARN
CN(C)[C@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl	ZINC000009671360	569558538	/nfs/dbraw/zinc/55/85/38/569558538.db2.gz	MLFUAZVAMCTZFI-OAQYLSRUSA-N	0	0	435.980	5.396	50	30		IKEARN
N#Cc1c(NC(=O)c2ccco2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1	ZINC000009679406	569559909	/nfs/dbraw/zinc/55/99/09/569559909.db2.gz	HAPSWGJVUXSUDM-UHFFFAOYSA-N	0	0	433.467	6.180	50	30		IKEARN
CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N/c1ccc(N2CCOCC2)cc1	ZINC000009720632	569563320	/nfs/dbraw/zinc/56/33/20/569563320.db2.gz	UHNDKKPQBIPCFW-JDQSIPCVSA-N	0	0	435.593	5.055	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2cnc3ccccc32)cc1	ZINC000009726068	569563866	/nfs/dbraw/zinc/56/38/66/569563866.db2.gz	AKAWGNVVQOCYLQ-UHFFFAOYSA-N	0	0	426.545	5.020	50	30		IKEARN
CCOc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21	ZINC000009731835	569564746	/nfs/dbraw/zinc/56/47/46/569564746.db2.gz	KVOXDXHSFITRLK-QFIPXVFZSA-N	0	0	448.954	5.655	50	30		IKEARN
CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(F)c2)C2=C1CC(C)(C)CC2=O	ZINC000009775627	569566986	/nfs/dbraw/zinc/56/69/86/569566986.db2.gz	FPUAGTAPWAXYEE-UHFFFAOYSA-N	0	0	437.599	6.702	50	30		IKEARN
Cc1csc([C@@H](C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1	ZINC000009788901	569567979	/nfs/dbraw/zinc/56/79/79/569567979.db2.gz	HVUPMRPYHFXBLL-HNNXBMFYSA-N	0	0	436.587	5.400	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009805302	569568640	/nfs/dbraw/zinc/56/86/40/569568640.db2.gz	SDHHXLUJMMYDQT-URAOTHONSA-N	0	0	446.550	6.701	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009805303	569568704	/nfs/dbraw/zinc/56/87/04/569568704.db2.gz	SDHHXLUJMMYDQT-JRPXNJEYSA-N	0	0	446.550	6.701	50	30		IKEARN
CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21	ZINC000009805846	569568818	/nfs/dbraw/zinc/56/88/18/569568818.db2.gz	JQVHQIWDFKPLBY-GOSISDBHSA-N	0	0	438.531	5.680	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)c1	ZINC000009835703	569570688	/nfs/dbraw/zinc/57/06/88/569570688.db2.gz	WPTBMBKVXGEAJB-UHFFFAOYSA-N	0	0	427.529	5.030	50	30		IKEARN
N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)c1	ZINC000009836302	569570748	/nfs/dbraw/zinc/57/07/48/569570748.db2.gz	FSHDGGJKXKSZJS-NRFANRHFSA-N	0	0	435.936	5.416	50	30		IKEARN
O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1	ZINC000009849826	569571382	/nfs/dbraw/zinc/57/13/82/569571382.db2.gz	RTQUVIKQMWQVQF-FXFSXJFASA-N	0	0	435.936	5.505	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1	ZINC000009861075	569571931	/nfs/dbraw/zinc/57/19/31/569571931.db2.gz	CFHUCWZHPCKDJB-JOCHJYFZSA-N	0	0	432.907	5.641	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(O)cc2)cc1	ZINC000009861229	569571958	/nfs/dbraw/zinc/57/19/58/569571958.db2.gz	SVVDWRDMLAPSNF-NRFANRHFSA-N	0	0	442.496	5.093	50	30		IKEARN
N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)c1ccccc1F	ZINC000009885078	569572860	/nfs/dbraw/zinc/57/28/60/569572860.db2.gz	BIOXVLBUBXTXJD-UHFFFAOYSA-N	0	0	448.548	5.536	50	30		IKEARN
COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1	ZINC000009933306	569573685	/nfs/dbraw/zinc/57/36/85/569573685.db2.gz	NJYDEZOSBWRDCZ-ZEQRLZLVSA-N	0	0	446.348	5.874	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1C1CCCCC1	ZINC000009963785	569575862	/nfs/dbraw/zinc/57/58/62/569575862.db2.gz	ZBSWVTUDCICRJJ-UHFFFAOYSA-N	0	0	435.391	5.005	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1cccc(Cl)c1	ZINC000009969650	569576092	/nfs/dbraw/zinc/57/60/92/569576092.db2.gz	PTPHRRPTKJFIMD-LJQANCHMSA-N	0	0	432.303	5.156	50	30		IKEARN
N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@@](=O)Cc1ccccc1	ZINC000009971514	569576293	/nfs/dbraw/zinc/57/62/93/569576293.db2.gz	XBSSRYFBBYABKP-WJOKGBTCSA-N	0	0	425.509	6.451	50	30		IKEARN
CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1	ZINC000009971263	569576303	/nfs/dbraw/zinc/57/63/03/569576303.db2.gz	RXJSTNSLRSRQDM-LRRRQAIWSA-N	0	0	440.543	6.631	50	30		IKEARN
CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000009971558	569576307	/nfs/dbraw/zinc/57/63/07/569576307.db2.gz	NXLFEMSJJVDVJP-SFHVURJKSA-N	0	0	438.578	5.018	50	30		IKEARN
CCCC[S@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N	ZINC000009993078	569576980	/nfs/dbraw/zinc/57/69/80/569576980.db2.gz	FSCYKXRZYATRJC-SSEXGKCCSA-N	0	0	436.602	5.894	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000010013554	569577071	/nfs/dbraw/zinc/57/70/71/569577071.db2.gz	YLLVITODJAWYSI-RUZDIDTESA-N	0	0	447.554	5.279	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1	ZINC000010233175	569579484	/nfs/dbraw/zinc/57/94/84/569579484.db2.gz	SWZZLHQBPWRKOK-NRFANRHFSA-N	0	0	444.512	5.181	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(OC)cc2)cc1	ZINC000010247592	569579817	/nfs/dbraw/zinc/57/98/17/569579817.db2.gz	HEYQRLXRAWIVGU-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
Brc1ccc(-c2csc(N=NC3c4ccccc4-c4ccccc43)n2)cc1	ZINC000008427650	569582791	/nfs/dbraw/zinc/58/27/91/569582791.db2.gz	XKUJOISENHCBBW-UHFFFAOYSA-N	0	0	432.346	6.418	50	30		IKEARN
O=c1oc2ccc3ccccc3c2cc1-c1cnc(N=NCc2ccc([N+](=O)[O-])cc2)s1	ZINC000009434493	569584249	/nfs/dbraw/zinc/58/42/49/569584249.db2.gz	SYVISQYMONQDKO-BRJLIKDPSA-N	0	0	442.456	5.424	50	30		IKEARN
COc1cccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1	ZINC000001851559	569584777	/nfs/dbraw/zinc/58/47/77/569584777.db2.gz	IXCFPPQOBDPXBE-WGOQTCKBSA-N	0	0	442.544	5.785	50	30		IKEARN
CCCCCCCCn1c2ccc(Br)cc2c2cc(Br)ccc21	ZINC000100070956	569588180	/nfs/dbraw/zinc/58/81/80/569588180.db2.gz	MFYGWCVLNPQWRR-UHFFFAOYSA-N	0	0	437.219	7.680	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000004073998	290671200	/nfs/dbraw/zinc/67/12/00/290671200.db2.gz	FVWJYYTZTCVBKE-XPHLTCFUSA-N	0	0	442.728	6.997	50	30	biogenic	IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(F)cc1	ZINC000033905967	122900963	/nfs/dbraw/zinc/90/09/63/122900963.db2.gz	SVOJEHXKRCNGSE-QUOYTPRUSA-N	0	0	429.542	5.218	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2	ZINC000000631004	193863956	/nfs/dbraw/zinc/86/39/56/193863956.db2.gz	GVFVTHRQZMBLLI-AKJBCIBTSA-N	0	0	444.918	6.048	50	30		IKEARN
COc1ccc(C(=O)c2sc(Nc3cccc(C(F)(F)F)c3)c(C#N)c2N)cc1OC	ZINC000000658786	193875629	/nfs/dbraw/zinc/87/56/29/193875629.db2.gz	JPTVSUSNRFIJDA-UHFFFAOYSA-N	0	0	447.438	5.213	50	30		IKEARN
N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccc(Br)cc1	ZINC000006189564	193889255	/nfs/dbraw/zinc/88/92/55/193889255.db2.gz	ZFNKKZWXZRYQKR-UHFFFAOYSA-N	0	0	439.334	5.828	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)NC2(C(F)(F)F)C(F)(F)F	ZINC000002367842	132253072	/nfs/dbraw/zinc/25/30/72/132253072.db2.gz	JPLIYAATNCPMGZ-UHFFFAOYSA-N	0	0	440.771	5.581	50	30		IKEARN
N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1	ZINC000002402724	132253968	/nfs/dbraw/zinc/25/39/68/132253968.db2.gz	CQZJHOZEBWHZAK-UHFFFAOYSA-N	0	0	436.515	5.119	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccc(Cl)cc3Cl)c(C#N)c(N3CCN(C)CC3)n2)cc1	ZINC000004489341	132272207	/nfs/dbraw/zinc/27/22/07/132272207.db2.gz	HLPKXPCFCVDHKC-UHFFFAOYSA-N	0	0	437.374	5.654	50	30		IKEARN
Fc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1	ZINC000100915907	518196198	/nfs/dbraw/zinc/19/61/98/518196198.db2.gz	XZPQHGHMCLZIJL-BRPDVVIDSA-N	0	0	429.442	6.638	50	30		IKEARN
CC(=O)c1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1	ZINC000012378353	518344031	/nfs/dbraw/zinc/34/40/31/518344031.db2.gz	LSFDDONDDCSVML-UHFFFAOYSA-N	0	0	426.925	5.099	50	30		IKEARN
C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843456	518456620	/nfs/dbraw/zinc/45/66/20/518456620.db2.gz	KWDOIYRZCIZQHJ-OFWBYEQRSA-N	0	0	426.535	7.149	50	30		IKEARN
C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843450	518457330	/nfs/dbraw/zinc/45/73/30/518457330.db2.gz	KGTGRMXNKHFKTM-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000036028869	518459264	/nfs/dbraw/zinc/45/92/64/518459264.db2.gz	MZWMSJYEFDKGQE-VNSNFZHPSA-N	0	0	438.358	5.761	50	30		IKEARN
CC(N=Nc1cc(C(F)(F)F)ccn1)c1ccc(Oc2c(Cl)cncc2Cl)cc1	ZINC000012369964	518464761	/nfs/dbraw/zinc/46/47/61/518464761.db2.gz	JRKZOUREDDMJQG-LUOAPIJWSA-N	0	0	441.240	6.431	50	30		IKEARN
Cc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(Br)cc3)n2)cc1	ZINC000016663411	518465498	/nfs/dbraw/zinc/46/54/98/518465498.db2.gz	ZELMPEWMZRNOGZ-JVWAILMASA-N	0	0	431.337	6.204	50	30		IKEARN
CC(C)CCCCCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000012401391	518465884	/nfs/dbraw/zinc/46/58/84/518465884.db2.gz	VZPIYBMYVKNQKG-HAVVHWLPSA-N	0	0	428.489	5.934	50	30		IKEARN
CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1c[nH]c2ccccc21	ZINC000059417925	518466660	/nfs/dbraw/zinc/46/66/60/518466660.db2.gz	GWAPHAUMYKZWST-VTNSRFBWSA-N	0	0	434.507	5.676	50	30		IKEARN
Cc1ccc(-c2c(CCC(C)N=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])oc3ccccc32)o1	ZINC000009334948	518475501	/nfs/dbraw/zinc/47/55/01/518475501.db2.gz	ZJLOVFYQNIAMQS-OYKKKHCWSA-N	0	0	448.435	6.238	50	30		IKEARN
CNC(=O)[C@@H]1CCCc2sc(C=Cc3ccc(OCc4ccccc4)c(OC)c3)nc21	ZINC000328589755	518571080	/nfs/dbraw/zinc/57/10/80/518571080.db2.gz	WRNCLRBJTOMSFM-XYDKVEKUSA-N	0	0	434.561	5.907	50	30		IKEARN
C=C(C)C(O)(C(=C)C)c1ccc(CN(Cc2ccco2)Cc2cccc(OC)c2OC)o1	ZINC000036202312	518587884	/nfs/dbraw/zinc/58/78/84/518587884.db2.gz	RGFHFFABWBLDOL-UHFFFAOYSA-N	0	0	437.536	5.432	50	30		IKEARN
C=C(C)CSc1nnc(SCc2csc(-c3ccc(OC)c(OC)c3)n2)s1	ZINC000012935434	518627417	/nfs/dbraw/zinc/62/74/17/518627417.db2.gz	OWPJWOQGSNQJOP-UHFFFAOYSA-N	0	0	437.637	5.639	50	30		IKEARN
C=C(C)[C@@H]1CC=C(CN(C)Cc2nnc(SCCCO)n2-c2cccc(Cl)c2)CC1	ZINC000012191697	518641897	/nfs/dbraw/zinc/64/18/97/518641897.db2.gz	XDODDCIKLIWNKI-LJQANCHMSA-N	0	0	447.048	5.130	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000253498636	518644770	/nfs/dbraw/zinc/64/47/70/518644770.db2.gz	FVWJYYTZTCVBKE-NUVSBHSESA-N	0	0	442.728	6.997	50	30	biogenic	IKEARN
C=C1S/C(=N\c2cccc(Cl)c2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2	ZINC000012339013	518666945	/nfs/dbraw/zinc/66/69/45/518666945.db2.gz	VONMTEZVDAVHKK-QYQHSDTDSA-N	0	0	446.950	7.020	50	30		IKEARN
C=C1[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000013304931	518668424	/nfs/dbraw/zinc/66/84/24/518668424.db2.gz	CRZLCZVPGSGGGD-HNRBIFIRSA-N	0	0	444.534	6.400	50	30		IKEARN
C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@H]2CCOC2)C1	ZINC000014966054	518694546	/nfs/dbraw/zinc/69/45/46/518694546.db2.gz	HNNODYHRTBGTRI-FQEVSTJZSA-N	0	0	449.572	5.423	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(CCC)Cc2cccc(OC)c2OC)o1	ZINC000036202414	518696516	/nfs/dbraw/zinc/69/65/16/518696516.db2.gz	QDWXDYCJMSUPOG-UHFFFAOYSA-N	0	0	427.585	5.829	50	30		IKEARN
C=CCCC(=O)N[C@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1	ZINC000012242909	518696969	/nfs/dbraw/zinc/69/69/69/518696969.db2.gz	JKSADICZNIGJLM-MRXNPFEDSA-N	0	0	433.021	5.737	50	30		IKEARN
C=CCN(C(=O)COC(=O)c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)cs1	ZINC000013095791	518731768	/nfs/dbraw/zinc/73/17/68/518731768.db2.gz	HPTWUHLOZKAVNL-UHFFFAOYSA-N	0	0	446.450	5.205	50	30		IKEARN
C=CCN(C(=O)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2)c1ccccc1	ZINC000009407709	518736759	/nfs/dbraw/zinc/73/67/59/518736759.db2.gz	BBPNPHXZHFIRNW-UHFFFAOYSA-N	0	0	429.950	5.189	50	30		IKEARN
C=CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2c[nH]c3ccccc32)cs1	ZINC000066409963	518737581	/nfs/dbraw/zinc/73/75/81/518737581.db2.gz	HOFWDMGUUBNFKN-UHFFFAOYSA-N	0	0	449.532	5.150	50	30		IKEARN
C=CCN(C(=O)c1ccc2ccccc2c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1	ZINC000012751991	518739018	/nfs/dbraw/zinc/73/90/18/518739018.db2.gz	UQMVMSWGILLCFH-UHFFFAOYSA-N	0	0	448.569	5.200	50	30		IKEARN
C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)CCCCCC	ZINC000035798866	518745423	/nfs/dbraw/zinc/74/54/23/518745423.db2.gz	WUDARSKMRJYNOV-UHFFFAOYSA-N	0	0	426.626	5.570	50	30		IKEARN
C=CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(C)C)cc1)C(=O)CC	ZINC000036048123	518758528	/nfs/dbraw/zinc/75/85/28/518758528.db2.gz	DAWGRHDNKXPFLI-UHFFFAOYSA-N	0	0	430.552	5.026	50	30		IKEARN
CC(C)(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O	ZINC000009531277	518795119	/nfs/dbraw/zinc/79/51/19/518795119.db2.gz	XEIYIHOFFOFZDR-IWIPYMOSSA-N	0	0	428.484	5.690	50	30		IKEARN
C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1cccc(OC)c1	ZINC000036106167	518795598	/nfs/dbraw/zinc/79/55/98/518795598.db2.gz	OVTHGYGXEADIKD-UHFFFAOYSA-N	0	0	436.577	5.484	50	30		IKEARN
C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1	ZINC000035979830	518801399	/nfs/dbraw/zinc/80/13/99/518801399.db2.gz	DEKQWNDLFJJCNH-UHFFFAOYSA-N	0	0	434.754	5.720	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	ZINC000012377937	518827241	/nfs/dbraw/zinc/82/72/41/518827241.db2.gz	CUXIXMQHPVSDDF-UNOMPAQXSA-N	0	0	431.966	5.315	50	30		IKEARN
C=CCN1C(=O)/C(=C\C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21	ZINC000023335630	518830599	/nfs/dbraw/zinc/83/05/99/518830599.db2.gz	ICRVXRARNJZVFP-ZUGOUDHMSA-N	0	0	440.568	5.295	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S	ZINC000012343731	518833288	/nfs/dbraw/zinc/83/32/88/518833288.db2.gz	FPKPCJGNHOORCE-HMMYKYKNSA-N	0	0	445.993	5.575	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S/C1=N\c1cc(Cl)ccc1C	ZINC000017084969	518845486	/nfs/dbraw/zinc/84/54/86/518845486.db2.gz	UELOCFQDPDIFTQ-NWIBBQCFSA-N	0	0	427.957	5.103	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)S/C1=N\c1cccc(Cl)c1C	ZINC000017084959	518846232	/nfs/dbraw/zinc/84/62/32/518846232.db2.gz	JKQDMARGBGWDEQ-UOODYVSWSA-N	0	0	441.984	5.357	50	30		IKEARN
C=CCN1c2ccccc2[C@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O	ZINC000012379080	518879683	/nfs/dbraw/zinc/87/96/83/518879683.db2.gz	XBTHNDWNMHJLBQ-BVAGGSTKSA-N	0	0	441.918	5.269	50	30		IKEARN
C=CCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1	ZINC000027017215	518881214	/nfs/dbraw/zinc/88/12/14/518881214.db2.gz	BCAZJMZWVQRQFY-HAVVHWLPSA-N	0	0	432.907	5.205	50	30		IKEARN
C=CCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095217	518884476	/nfs/dbraw/zinc/88/44/76/518884476.db2.gz	JIRNOIFZFASTCI-NDEPHWFRSA-N	0	0	449.554	5.381	50	30		IKEARN
C=CCNC(=O)Cc1cccc(N(Cc2ccc(F)cc2)C(=O)c2ccc(Cl)cc2)c1	ZINC000037601102	518901607	/nfs/dbraw/zinc/90/16/07/518901607.db2.gz	WQKUKRHNYWUTDS-UHFFFAOYSA-N	0	0	436.914	5.171	50	30		IKEARN
C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@H](C)c2ccccc2)cc1	ZINC000034680146	518903261	/nfs/dbraw/zinc/90/32/61/518903261.db2.gz	SKKPBGOIJDORAO-JOCHJYFZSA-N	0	0	441.575	5.317	50	30		IKEARN
C=CCNC(=O)c1cc2sc(Br)cc2n1Cc1ccc(C(C)(C)C)cc1	ZINC000037526831	518932710	/nfs/dbraw/zinc/93/27/10/518932710.db2.gz	NNDMFBLEQIBLIA-UHFFFAOYSA-N	0	0	431.399	5.727	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccccc1Cl	ZINC000037280148	518968861	/nfs/dbraw/zinc/96/88/61/518968861.db2.gz	FBUOQGQIWDTCNA-QGZVFWFLSA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@@H]1c1ccc(CC)cc1	ZINC000009427225	518972898	/nfs/dbraw/zinc/97/28/98/518972898.db2.gz	IFMSQQHWHAJATI-JOCHJYFZSA-N	0	0	446.576	5.151	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3c(Cl)cccc3Cl)sc2C1	ZINC000035109746	518977995	/nfs/dbraw/zinc/97/79/95/518977995.db2.gz	AEFNJFRNTLIMGK-XPSMFNQNSA-N	0	0	433.404	6.729	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1OCC	ZINC000013149828	519000199	/nfs/dbraw/zinc/00/01/99/519000199.db2.gz	VFJFICFGMPMJPG-BJMVGYQFSA-N	0	0	432.270	5.217	50	30		IKEARN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)no1	ZINC000022135311	519002120	/nfs/dbraw/zinc/00/21/20/519002120.db2.gz	PIXIVVCSXXSSGG-FQEVSTJZSA-N	0	0	436.895	5.408	50	30		IKEARN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@@]1(C=C(C(C)(C)C)C(=O)C(=O)C1C(C)(C)C)O2	ZINC000013510941	519004968	/nfs/dbraw/zinc/00/49/68/519004968.db2.gz	DCQDNCVZSDHESB-MUUNZHRXSA-N	0	0	440.624	7.163	50	30		IKEARN
CC(C)(C)c1ccc(-c2cc(C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)no2)cc1	ZINC000022640907	519007160	/nfs/dbraw/zinc/00/71/60/519007160.db2.gz	PXIPJQUDARNNQU-UHFFFAOYSA-N	0	0	426.332	5.202	50	30		IKEARN
C=CCOc1ccc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1OC	ZINC000015620115	519011624	/nfs/dbraw/zinc/01/16/24/519011624.db2.gz	JDQMKGJZZKKWAG-PKNBQFBNSA-N	0	0	434.561	5.289	50	30		IKEARN
C=CCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1	ZINC000026531703	519016075	/nfs/dbraw/zinc/01/60/75/519016075.db2.gz	MCVMEIZKSYOKKH-PTGBLXJZSA-N	0	0	436.536	5.203	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc4c(c2)OCO4)C3=O)cc1	ZINC000009306416	519023132	/nfs/dbraw/zinc/02/31/32/519023132.db2.gz	DFZSSNONVFSAFH-CFRMEGHHSA-N	0	0	442.467	5.548	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1	ZINC000009046640	519028053	/nfs/dbraw/zinc/02/80/53/519028053.db2.gz	XDMYLYYKULHGBB-XTEPFMGCSA-N	0	0	440.543	6.283	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000009070514	519028159	/nfs/dbraw/zinc/02/81/59/519028159.db2.gz	WOTSSRIGUXFNKR-UKILVPOCSA-N	0	0	427.460	5.402	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1	ZINC000013551474	519030286	/nfs/dbraw/zinc/03/02/86/519030286.db2.gz	FNUUFYIDPPKJOL-ILBGXUMGSA-N	0	0	445.450	5.541	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCC=C)cc2)cc1	ZINC000012194246	519030295	/nfs/dbraw/zinc/03/02/95/519030295.db2.gz	SIXRAWDDQDJTPY-IAPPQJPRSA-N	0	0	438.527	6.059	50	30		IKEARN
C=CCOc1ccc([C@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1	ZINC000002113896	519050063	/nfs/dbraw/zinc/05/00/63/519050063.db2.gz	VNQNZAZPMBQKNI-HSZRJFAPSA-N	0	0	448.548	5.050	50	30		IKEARN
C=CCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCC=C)ccc1-2	ZINC000020615557	519050219	/nfs/dbraw/zinc/05/02/19/519050219.db2.gz	UNRDWAMVNFNOHS-UHFFFAOYSA-N	0	0	427.460	5.569	50	30		IKEARN
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccccc2Cl)cc1	ZINC000020892386	519050336	/nfs/dbraw/zinc/05/03/36/519050336.db2.gz	BBCGQJBABSMVJK-OAQYLSRUSA-N	0	0	425.941	5.174	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1	ZINC000002380450	519062950	/nfs/dbraw/zinc/06/29/50/519062950.db2.gz	ZBSSXSFLXRTPFG-QHCPKHFHSA-N	0	0	427.456	5.005	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)N[C@@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1	ZINC000035912882	519064132	/nfs/dbraw/zinc/06/41/32/519064132.db2.gz	HXNWCHLLHIUWOA-INIZCTEOSA-N	0	0	430.470	5.802	50	30		IKEARN
C=CCOc1ccccc1CN(Cc1cc(=O)n2ccccc2n1)c1ccc(C)c(C)c1	ZINC000023015700	519067870	/nfs/dbraw/zinc/06/78/70/519067870.db2.gz	HVJZQFYTCHXXLF-UHFFFAOYSA-N	0	0	425.532	5.083	50	30		IKEARN
CC(C)(C)c1csc(-c2ccc(/C=N/OC(=O)c3cccc(C(F)(F)F)c3)cc2)n1	ZINC000002152992	519077356	/nfs/dbraw/zinc/07/73/56/519077356.db2.gz	WLBUJKHTBFEBOU-RPPGKUMJSA-N	0	0	432.467	6.317	50	30		IKEARN
C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Sc2cccc(OC)c2)n1	ZINC000008888483	519080837	/nfs/dbraw/zinc/08/08/37/519080837.db2.gz	SSFBPRSPGRMCCZ-UHFFFAOYSA-N	0	0	425.604	6.294	50	30		IKEARN
C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000044087872	519082493	/nfs/dbraw/zinc/08/24/93/519082493.db2.gz	ICGFXNPYEBNVNJ-UHFFFAOYSA-N	0	0	439.300	6.599	50	30		IKEARN
C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1	ZINC000044088061	519083677	/nfs/dbraw/zinc/08/36/77/519083677.db2.gz	HKTXJQWEDLUKFD-UHFFFAOYSA-N	0	0	445.293	7.023	50	30		IKEARN
C=CCc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(OC)c1	ZINC000002308612	519138630	/nfs/dbraw/zinc/13/86/30/519138630.db2.gz	LFOMRRFZECWVKR-UHFFFAOYSA-N	0	0	446.934	5.533	50	30		IKEARN
C=CCc1ccccc1OCCCCn1c(CSc2ccccc2)nc2ccccc21	ZINC000035143425	519143066	/nfs/dbraw/zinc/14/30/66/519143066.db2.gz	ZNMLECODSOCCNE-UHFFFAOYSA-N	0	0	428.601	6.916	50	30		IKEARN
C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccc(C)cc1	ZINC000044085769	519147997	/nfs/dbraw/zinc/14/79/97/519147997.db2.gz	QSZSKFTWWYWWBX-UHFFFAOYSA-N	0	0	442.382	5.538	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\N=C\c1ccccc1	ZINC000027015940	519148367	/nfs/dbraw/zinc/14/83/67/519148367.db2.gz	MXCFGWDMGPHRQX-NDQAOLADSA-N	0	0	442.544	5.491	50	30		IKEARN
C=CCn1c(-c2ccc(F)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1	ZINC000100114419	519148609	/nfs/dbraw/zinc/14/86/09/519148609.db2.gz	KUYPYENQWNZOFJ-IMVLJIQESA-N	0	0	445.567	5.759	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1ccc2c(c1)OCO2	ZINC000001465885	519155041	/nfs/dbraw/zinc/15/50/41/519155041.db2.gz	ZICVWYWXFKFFLX-UHFFFAOYSA-N	0	0	434.542	5.332	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1ccc2ccccc2c1)CCC3	ZINC000012624979	519159029	/nfs/dbraw/zinc/15/90/29/519159029.db2.gz	HDPQJCHTBIJSDT-UHFFFAOYSA-N	0	0	447.585	5.017	50	30		IKEARN
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl	ZINC000012390521	519167437	/nfs/dbraw/zinc/16/74/37/519167437.db2.gz	BADWNKMRBXKOES-UHFFFAOYSA-N	0	0	442.968	5.338	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C	ZINC000013041469	519170851	/nfs/dbraw/zinc/17/08/51/519170851.db2.gz	JPDKOOWOYYVOHF-UHFFFAOYSA-N	0	0	443.981	6.184	50	30		IKEARN
C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@H]1CCCO1	ZINC000055182730	519179292	/nfs/dbraw/zinc/17/92/92/519179292.db2.gz	QWBYJVSUEFAZFR-HSZRJFAPSA-N	0	0	448.636	5.343	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1	ZINC000003337553	519185318	/nfs/dbraw/zinc/18/53/18/519185318.db2.gz	UOEYTWNESUDJNZ-UHFFFAOYSA-N	0	0	434.392	6.205	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl	ZINC000019811629	519185875	/nfs/dbraw/zinc/18/58/75/519185875.db2.gz	YOMBTMHANFPWMB-UHFFFAOYSA-N	0	0	440.783	6.296	50	30		IKEARN
C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2cccs2)n1	ZINC000023995423	519187122	/nfs/dbraw/zinc/18/71/22/519187122.db2.gz	IZPVFJHQTYTEKX-UHFFFAOYSA-N	0	0	440.619	5.829	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1	ZINC000012788164	519189906	/nfs/dbraw/zinc/18/99/06/519189906.db2.gz	ISWMPWWSGMYECP-CQSZACIVSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCn1c(CSCc2cccc3ccccc32)nnc1SCC(=O)c1ccccc1	ZINC000012379151	519189999	/nfs/dbraw/zinc/18/99/99/519189999.db2.gz	DMUHLHUTPXWDJA-UHFFFAOYSA-N	0	0	445.613	6.026	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1	ZINC000012787630	519190454	/nfs/dbraw/zinc/19/04/54/519190454.db2.gz	FWFBRGGABFSMJI-QGZVFWFLSA-N	0	0	425.529	5.163	50	30		IKEARN
C=CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003282132	519200476	/nfs/dbraw/zinc/20/04/76/519200476.db2.gz	KYINAHHIDJUVCW-UHFFFAOYSA-N	0	0	446.620	5.500	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1	ZINC000010240468	519209520	/nfs/dbraw/zinc/20/95/20/519209520.db2.gz	ZOPJZPDPQFOOER-IBGZPJMESA-N	0	0	447.029	5.452	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013803867	519211114	/nfs/dbraw/zinc/21/11/14/519211114.db2.gz	RYOYFJXPNUWVMM-UHFFFAOYSA-N	0	0	434.609	5.776	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1C	ZINC000002441266	519223550	/nfs/dbraw/zinc/22/35/50/519223550.db2.gz	YKTSTTCJILJDOA-UHFFFAOYSA-N	0	0	440.572	5.837	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1C	ZINC000002241812	519224588	/nfs/dbraw/zinc/22/45/88/519224588.db2.gz	BCPFYWAXVMHJBG-UHFFFAOYSA-N	0	0	432.471	5.189	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1	ZINC000013112471	519225195	/nfs/dbraw/zinc/22/51/95/519225195.db2.gz	VBTJYJJOQWBUDA-UHFFFAOYSA-N	0	0	447.589	5.294	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1	ZINC000001105594	519227874	/nfs/dbraw/zinc/22/78/74/519227874.db2.gz	GHFNJTGZALIEGV-UHFFFAOYSA-N	0	0	447.545	5.218	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1ccc(F)cc1	ZINC000009464374	519231481	/nfs/dbraw/zinc/23/14/81/519231481.db2.gz	BVFYSNMVLUHIGE-UHFFFAOYSA-N	0	0	438.347	5.069	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccccc2OC)nnc1-c1ccc(Cl)cc1Cl	ZINC000009439585	519233803	/nfs/dbraw/zinc/23/38/03/519233803.db2.gz	RSFOGCGWIYSHHH-UHFFFAOYSA-N	0	0	434.348	5.422	50	30		IKEARN
C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3	ZINC000002272636	519235107	/nfs/dbraw/zinc/23/51/07/519235107.db2.gz	MKOOJJOTJFTPDL-KRWDZBQOSA-N	0	0	432.699	6.858	50	30		IKEARN
C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847684	519238338	/nfs/dbraw/zinc/23/83/38/519238338.db2.gz	PTKRHLAWAPDAST-UHFFFAOYSA-N	0	0	446.370	5.203	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H]1COc2ccccc2O1	ZINC000013110218	519240095	/nfs/dbraw/zinc/24/00/95/519240095.db2.gz	DLXLREYHFKOVOH-GOSISDBHSA-N	0	0	434.348	5.576	50	30		IKEARN
C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847672	519241947	/nfs/dbraw/zinc/24/19/47/519241947.db2.gz	HHUCYHMCLHSASA-UHFFFAOYSA-N	0	0	435.471	5.459	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1-c1sc2nc(C)cc(C)c2c1N	ZINC000008636988	519244727	/nfs/dbraw/zinc/24/47/27/519244727.db2.gz	RJRDYSWDEWFMOM-UHFFFAOYSA-N	0	0	442.013	5.886	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc(Cl)cc3)n2)nnc1C1CCCCC1	ZINC000013117119	519244868	/nfs/dbraw/zinc/24/48/68/519244868.db2.gz	UXYBVXPMPSTFDA-UHFFFAOYSA-N	0	0	431.030	6.581	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1-c1csc(C)c1-c1ccccc1	ZINC000013325738	519244949	/nfs/dbraw/zinc/24/49/49/519244949.db2.gz	GFGGFRCUCJKULR-UHFFFAOYSA-N	0	0	438.021	7.114	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@@H]1COc2ccccc2O1	ZINC000003288833	519245179	/nfs/dbraw/zinc/24/51/79/519245179.db2.gz	SVEMUGQVYOCDBN-FQEVSTJZSA-N	0	0	448.573	5.392	50	30		IKEARN
C=CCn1c(S[C@@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1	ZINC000012695942	519248992	/nfs/dbraw/zinc/24/89/92/519248992.db2.gz	FRGAXTUDEVCHKE-OAQYLSRUSA-N	0	0	436.556	5.116	50	30		IKEARN
C=CCn1c(S[C@@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21	ZINC000013114664	519255518	/nfs/dbraw/zinc/25/55/18/519255518.db2.gz	AQSTVXBZIBSFNU-JOCHJYFZSA-N	0	0	442.544	5.062	50	30		IKEARN
C=CCn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c32)nnc1C1CC1	ZINC000040020228	519258997	/nfs/dbraw/zinc/25/89/97/519258997.db2.gz	WGPLKIOOPXRQNK-UHFFFAOYSA-N	0	0	425.970	5.818	50	30		IKEARN
C=CCn1c(Sc2nc(CN3CCCCC3)nc3sc(C)c(C)c32)nnc1C1CC1	ZINC000013003528	519259822	/nfs/dbraw/zinc/25/98/22/519259822.db2.gz	VJOZMBWLUBVMIL-UHFFFAOYSA-N	0	0	440.642	5.100	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)c12	ZINC000012524415	519266298	/nfs/dbraw/zinc/26/62/98/519266298.db2.gz	KWVMQIZNTAUQOB-MDZDMXLPSA-N	0	0	440.330	5.995	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(-c4ccccc4F)o3)c12	ZINC000012676005	519266455	/nfs/dbraw/zinc/26/64/55/519266455.db2.gz	LYWRSNSSTWKIIR-WYMLVPIESA-N	0	0	425.463	6.079	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(C)n(-c4cc(C)on4)c3C)c12	ZINC000096925865	519268296	/nfs/dbraw/zinc/26/82/96/519268296.db2.gz	SGRBVKQBDGAQEO-QXMHVHEDSA-N	0	0	439.519	5.383	50	30		IKEARN
C=CCn1cc(/C=C2/S/C(=N\c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21	ZINC000008450494	519275259	/nfs/dbraw/zinc/27/52/59/519275259.db2.gz	FKXSELWWZVAVTQ-JUMVDPBBSA-N	0	0	445.544	5.238	50	30		IKEARN
CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)S1	ZINC000008855047	519356148	/nfs/dbraw/zinc/35/61/48/519356148.db2.gz	ZFNOJLIECHJFFF-OCKHKDLRSA-N	0	0	444.343	5.103	50	30		IKEARN
CC(=O)N(c1ccc(Cl)c(Cl)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O	ZINC000022289059	519471707	/nfs/dbraw/zinc/47/17/07/519471707.db2.gz	OGRGSKKIWFNJRI-UHFFFAOYSA-N	0	0	443.330	5.123	50	30		IKEARN
CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F	ZINC000022756636	519474106	/nfs/dbraw/zinc/47/41/06/519474106.db2.gz	AMTZHCDQPTVLJV-MDWZMJQESA-N	0	0	444.434	5.294	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])s1	ZINC000008994637	519476117	/nfs/dbraw/zinc/47/61/17/519476117.db2.gz	GBYGBVGDGOQLFP-OAQYLSRUSA-N	0	0	439.537	5.455	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl	ZINC000008838098	519640427	/nfs/dbraw/zinc/64/04/27/519640427.db2.gz	YPOKFCMALMBUBT-QFIPXVFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC(C)N(CCC#N)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S	ZINC000062580702	519641620	/nfs/dbraw/zinc/64/16/20/519641620.db2.gz	AVPZGJAMKXABCB-UHFFFAOYSA-N	0	0	425.989	5.364	50	30		IKEARN
CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001135006	519734428	/nfs/dbraw/zinc/73/44/28/519734428.db2.gz	KWZFNXJXMQGOAQ-LYZGTLIUSA-N	0	0	437.543	5.933	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1	ZINC000253617487	519757874	/nfs/dbraw/zinc/75/78/74/519757874.db2.gz	PMBSWZWCNKVWLV-KAIPXGEMSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000013568680	519781814	/nfs/dbraw/zinc/78/18/14/519781814.db2.gz	YSNMAQAFVVBILW-DWXRJYCRSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2	ZINC000013568542	519784919	/nfs/dbraw/zinc/78/49/19/519784919.db2.gz	XNPQQCZYFCCLKP-QLXKLKPCSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000000864501	519840158	/nfs/dbraw/zinc/84/01/58/519840158.db2.gz	OEWFOONBCNVTMJ-QHCPKHFHSA-N	0	0	430.479	5.123	50	30		IKEARN
CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC)cc32)C[C@H](c2ccccc2)CC1=O	ZINC000100140137	519861759	/nfs/dbraw/zinc/86/17/59/519861759.db2.gz	WVLDWJLUIFFIDW-FQEVSTJZSA-N	0	0	444.575	5.387	50	30		IKEARN
CCCC(=O)Oc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC	ZINC000001440054	519881464	/nfs/dbraw/zinc/88/14/64/519881464.db2.gz	UEOQDOBFGOJTCW-MUUNZHRXSA-N	0	0	441.527	6.227	50	30		IKEARN
CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@@H](C)CC)cc1	ZINC000006821443	519902625	/nfs/dbraw/zinc/90/26/25/519902625.db2.gz	UYPHKGGUTMMQFG-JZCUADNKSA-N	0	0	434.005	5.129	50	30		IKEARN
CC(C)n1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21	ZINC000009246898	519930707	/nfs/dbraw/zinc/93/07/07/519930707.db2.gz	FMGPWQSDNWLWLE-LQKURTRISA-N	0	0	447.648	6.976	50	30		IKEARN
CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl	ZINC000097950697	519964341	/nfs/dbraw/zinc/96/43/41/519964341.db2.gz	AWTHZKFPTUSFIU-OAHLLOKOSA-N	0	0	442.815	5.285	50	30		IKEARN
CCCCCCCC/C=C/CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1	ZINC000076945525	519969119	/nfs/dbraw/zinc/96/91/19/519969119.db2.gz	NKQFKJYKCVDLPT-ZHACJKMWSA-N	0	0	440.624	8.044	50	30	in-vitro	IKEARN
CCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C	ZINC000102996425	519972623	/nfs/dbraw/zinc/97/26/23/519972623.db2.gz	AOKCCHKYYVNMGU-UHFFFAOYSA-N	0	0	426.605	5.284	50	30		IKEARN
CCCCCCCCC(=O)N[C@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1	ZINC000100727513	519973768	/nfs/dbraw/zinc/97/37/68/519973768.db2.gz	NYIMPZNBVYBROG-INIZCTEOSA-N	0	0	428.809	5.023	50	30		IKEARN
CCCCCCCCCC(=O)N(CCCC)CC(=O)N(Cc1cccn1C)CC(C)C	ZINC000103065578	519975463	/nfs/dbraw/zinc/97/54/63/519975463.db2.gz	LJVCBTPHPKSEMO-UHFFFAOYSA-N	0	0	433.681	5.779	50	30		IKEARN
CCCCCCCCC1c2cc(Br)ccc2-c2ccc(Br)cc21	ZINC000059211906	519975676	/nfs/dbraw/zinc/97/56/76/519975676.db2.gz	VHJHNUMVXRVNLL-UHFFFAOYSA-N	0	0	436.231	8.075	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)cc2)c1	ZINC000098021542	519978185	/nfs/dbraw/zinc/97/81/85/519978185.db2.gz	FHPSOKBBPOOFQB-SANMLTNESA-N	0	0	438.637	6.853	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)c1	ZINC000102536539	519984105	/nfs/dbraw/zinc/98/41/05/519984105.db2.gz	HWIHXMLIRVYVIF-ZWSUVBHBSA-N	0	0	438.612	6.248	50	30		IKEARN
CCCCCCCCCCCC(=O)OC[C@@H](C)OC(=O)CCCCCCCCCCC	ZINC000056898842	519984183	/nfs/dbraw/zinc/98/41/83/519984183.db2.gz	WITKSCOBOCOGSC-RUZDIDTESA-N	0	0	440.709	8.303	50	30	in-man	IKEARN
CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](CC)C2	ZINC000102065638	519984344	/nfs/dbraw/zinc/98/43/44/519984344.db2.gz	DXKWSFJVEUXPNY-IBGZPJMESA-N	0	0	435.674	7.299	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccccc12	ZINC000049878068	519992724	/nfs/dbraw/zinc/99/27/24/519992724.db2.gz	AIIVCXFBTONHDU-UHFFFAOYSA-N	0	0	426.689	8.088	50	30	endogenous,in-man	IKEARN
CCCCCCCCCCCCCCCCN(C)c1ccc(C(=O)OC)cc1[N+](=O)[O-]	ZINC000100969668	519998480	/nfs/dbraw/zinc/99/84/80/519998480.db2.gz	FGUUTZCTVLZJHB-UHFFFAOYSA-N	0	0	434.621	7.299	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@@H](C)CC	ZINC000008400599	519998805	/nfs/dbraw/zinc/99/88/05/519998805.db2.gz	GCTKGYMPZGYYAO-VWLOTQADSA-N	0	0	431.705	8.176	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(Cl)c(Cl)c1	ZINC000100969868	519999305	/nfs/dbraw/zinc/99/93/05/519999305.db2.gz	CEVSTDBFBGOHNP-UHFFFAOYSA-N	0	0	444.556	9.082	50	30		IKEARN
CCCCCCCCCCCCCCCCN1c2ccccc2/C(=N/NC(N)=S)C1=O	ZINC000102311147	519999584	/nfs/dbraw/zinc/99/95/84/519999584.db2.gz	DGBSJNFGNBAQMY-VYIQYICTSA-N	0	0	444.689	6.052	50	30		IKEARN
CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)[O-]	ZINC000101012118	520007205	/nfs/dbraw/zinc/00/72/05/520007205.db2.gz	SHERVRVXWWTRDL-UHFFFAOYSA-O	0	0	426.750	8.359	50	30		IKEARN
CCCCCCCCCCCCN1C(=O)C(=CNc2ccccc2OC)SC1=S	ZINC000097961955	520007759	/nfs/dbraw/zinc/00/77/59/520007759.db2.gz	UKYYSFDAGWAHGW-DYTRJAOYSA-N	0	0	434.671	6.730	50	30		IKEARN
CCCCCCCCCCCCOc1ccc(C#Cc2ccc(C#CC(C)(C)O)cc2)cc1	ZINC000098045060	520012006	/nfs/dbraw/zinc/01/20/06/520012006.db2.gz	ZFDZGFLPBFUJBZ-UHFFFAOYSA-N	0	0	444.659	7.509	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@H](C)c1ccc(CC(C)C)cc1	ZINC000100863963	520016998	/nfs/dbraw/zinc/01/69/98/520016998.db2.gz	NJXMPBSODVQNTN-RUZDIDTESA-N	0	0	432.696	8.917	50	30		IKEARN
CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCC	ZINC000008426342	520023293	/nfs/dbraw/zinc/02/32/93/520023293.db2.gz	OHNYCFJBZDDIEV-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(C)cc1	ZINC000097949494	520024395	/nfs/dbraw/zinc/02/43/95/520024395.db2.gz	NRJSJCWBKSBAPT-UHFFFAOYSA-N	0	0	442.629	5.013	50	30		IKEARN
CCCCCCCCCCn1c(SCCCCCCC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008426364	520026967	/nfs/dbraw/zinc/02/69/67/520026967.db2.gz	JXQPPCVBOZTTGA-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000097954710	520027133	/nfs/dbraw/zinc/02/71/33/520027133.db2.gz	LNLFGIVGWOPUEE-QFIPXVFZSA-N	0	0	447.623	6.706	50	30		IKEARN
CCCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21	ZINC000002365325	520033974	/nfs/dbraw/zinc/03/39/74/520033974.db2.gz	XQRSNPVPCHBJQS-UHFFFAOYSA-N	0	0	443.595	5.500	50	30		IKEARN
CCCCCCCCS(=O)(=O)N1CCC[C@H]1c1nc2cc(-c3ccccc3)ccc2o1	ZINC000103013431	520046229	/nfs/dbraw/zinc/04/62/29/520046229.db2.gz	KFDSSMHTXZURHV-QHCPKHFHSA-N	0	0	440.609	6.322	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1cnc2ccccc21	ZINC000049757339	520047549	/nfs/dbraw/zinc/04/75/49/520047549.db2.gz	LFTUVAZFWXEWIQ-UHFFFAOYSA-N	0	0	435.575	6.910	50	30		IKEARN
CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCCCC)C2=O)C1=O	ZINC000100833466	520050849	/nfs/dbraw/zinc/05/08/49/520050849.db2.gz	MDPWMEYXVSTYLH-MRCUWXFGSA-N	0	0	444.666	6.155	50	30		IKEARN
CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC	ZINC000070687609	520061412	/nfs/dbraw/zinc/06/14/12/520061412.db2.gz	GMLLHNJKYTUSNS-JPGMGBJISA-N	0	0	448.607	5.682	50	30	biogenic	IKEARN
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O	ZINC000002062809	520061953	/nfs/dbraw/zinc/06/19/53/520061953.db2.gz	VFZFEZDJLCJXCM-UHFFFAOYSA-N	0	0	434.319	5.921	50	30		IKEARN
CCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3	ZINC000053319238	520066715	/nfs/dbraw/zinc/06/67/15/520066715.db2.gz	UJMVWGSKWBWVNX-UHFFFAOYSA-N	0	0	427.683	7.379	50	30		IKEARN
CCCCCCCc1ccc([C@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1	ZINC000100916144	520070811	/nfs/dbraw/zinc/07/08/11/520070811.db2.gz	RBRURJYFMIKWBI-DEOSSOPVSA-N	0	0	430.573	5.793	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccccc2)c1=O	ZINC000002428173	520073121	/nfs/dbraw/zinc/07/31/21/520073121.db2.gz	BSJTXDVLXCKAOO-UHFFFAOYSA-N	0	0	425.536	5.562	50	30		IKEARN
CCCCCCNc1c(Cc2ccccc2Cl)c(C)c(C#N)c2nc3ccccc3n21	ZINC000012680704	520096286	/nfs/dbraw/zinc/09/62/86/520096286.db2.gz	IDPXIUUXHCXSNZ-UHFFFAOYSA-N	0	0	430.983	6.904	50	30		IKEARN
CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21	ZINC000071784702	520108296	/nfs/dbraw/zinc/10/82/96/520108296.db2.gz	WVXXEBLHRGPWQV-JTLFAELUSA-N	0	0	446.635	6.498	50	30		IKEARN
CC/N=C1\S/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)C(=O)N1CC	ZINC000009261569	520206254	/nfs/dbraw/zinc/20/62/54/520206254.db2.gz	BXLOKLOYZVQNIJ-PIINERKHSA-N	0	0	439.584	6.155	50	30		IKEARN
CCCCCOc1ccc(/C=N/c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1	ZINC000009280225	520249506	/nfs/dbraw/zinc/24/95/06/520249506.db2.gz	DXQNTEPCEQCWIV-ZTKZIYFRSA-N	0	0	443.978	7.512	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1cccs1	ZINC000001430886	520255470	/nfs/dbraw/zinc/25/54/70/520255470.db2.gz	IRGBDBQSGKBNNT-OAHLLOKOSA-N	0	0	436.602	5.724	50	30		IKEARN
CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000020477863	520260737	/nfs/dbraw/zinc/26/07/37/520260737.db2.gz	FAEKLPPFAZGWRW-UHFFFAOYSA-N	0	0	435.608	6.229	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1cccs1	ZINC000015826257	520262127	/nfs/dbraw/zinc/26/21/27/520262127.db2.gz	WMYGIGQHVGXWGL-HSZRJFAPSA-N	0	0	447.560	5.867	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1cccs1	ZINC000015826249	520262183	/nfs/dbraw/zinc/26/21/83/520262183.db2.gz	DQVKWHBFOOKMBA-XMMPIXPASA-N	0	0	443.572	6.597	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1cccs1	ZINC000021356127	520262320	/nfs/dbraw/zinc/26/23/20/520262320.db2.gz	TXLDGBORDSRBLL-XMMPIXPASA-N	0	0	446.547	6.344	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@H]1CCCO1)[C@H]2c1ccccc1	ZINC000021722109	520262686	/nfs/dbraw/zinc/26/26/86/520262686.db2.gz	CTZAQFNJTNQTIO-CLOONOSVSA-N	0	0	445.563	5.192	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccco1	ZINC000018122597	520262911	/nfs/dbraw/zinc/26/29/11/520262911.db2.gz	MQPHVQVIGXMZRJ-SANMLTNESA-N	0	0	426.516	5.665	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(OCC(N)=O)cc1	ZINC000000780270	520270045	/nfs/dbraw/zinc/27/00/45/520270045.db2.gz	FYYZKUXDIJYTDQ-AREMUKBSSA-N	0	0	426.516	5.013	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccccc2F)o1	ZINC000002186404	520272119	/nfs/dbraw/zinc/27/21/19/520272119.db2.gz	VRIDZDMTQPFRSL-NDEPHWFRSA-N	0	0	437.514	7.548	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850888	520273361	/nfs/dbraw/zinc/27/33/61/520273361.db2.gz	MUZOMRLUYQAWSG-IBGZPJMESA-N	0	0	431.005	5.872	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccc([N+](=O)[O-])cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850336	520274205	/nfs/dbraw/zinc/27/42/05/520274205.db2.gz	KRNFPVXBBMHWIP-LJQANCHMSA-N	0	0	441.557	5.127	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850894	520274487	/nfs/dbraw/zinc/27/44/87/520274487.db2.gz	XJDHSOJMMPNYJU-NRFANRHFSA-N	0	0	440.613	5.617	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850342	520274580	/nfs/dbraw/zinc/27/45/80/520274580.db2.gz	GOYXPUDPZNLWIK-HXUWFJFHSA-N	0	0	426.586	5.227	50	30		IKEARN
CC1(C)CCC[C@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1	ZINC000020648829	520361652	/nfs/dbraw/zinc/36/16/52/520361652.db2.gz	NSPYZZFXRIZTQP-MUUNZHRXSA-N	0	0	443.591	5.229	50	30		IKEARN
CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000009678762	520424457	/nfs/dbraw/zinc/42/44/57/520424457.db2.gz	VUZDVWRSUQXVCN-MNNSJKJDSA-N	0	0	438.571	6.763	50	30		IKEARN
CCCCN(CC)C(=O)c1ccc(NN=C2C(=O)Nc3c2cc(Cl)cc3Cl)cc1	ZINC000022654351	520472604	/nfs/dbraw/zinc/47/26/04/520472604.db2.gz	SRFALZCSGMRXQT-UHFFFAOYSA-N	0	0	433.339	5.024	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020647816	520495810	/nfs/dbraw/zinc/49/58/10/520495810.db2.gz	BVRMDAIBQYJEHH-XKZIYDEJSA-N	0	0	448.390	6.717	50	30		IKEARN
CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000019314979	520507944	/nfs/dbraw/zinc/50/79/44/520507944.db2.gz	WJFHFMWEDHXODR-XMMPIXPASA-N	0	0	431.532	5.187	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cccc(Oc3ccccc3)c2)C1=O	ZINC000006378675	520539610	/nfs/dbraw/zinc/53/96/10/520539610.db2.gz	PJRDDFLGOUFKBY-XLNRJJMWSA-N	0	0	443.524	6.023	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(F)cc1	ZINC000015946589	520553548	/nfs/dbraw/zinc/55/35/48/520553548.db2.gz	MREGOTUAWRGDTP-YJOHERITSA-N	0	0	443.569	5.609	50	30		IKEARN
CCOc1c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cccc1OC	ZINC000009763000	520588276	/nfs/dbraw/zinc/58/82/76/520588276.db2.gz	NDDNXPBVFUQIJI-KFLOGIKRSA-N	0	0	444.556	5.898	50	30		IKEARN
CCOc1c(OC)cccc1[C@@H]1CC(=O)NC2=C1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2	ZINC000013568630	520610278	/nfs/dbraw/zinc/61/02/78/520610278.db2.gz	NHFCPFSRZFVRAF-RXVVDRJESA-N	0	0	447.575	5.396	50	30		IKEARN
CCOc1c(I)cc(/C=C2\Sc3ccccc3C2=O)cc1OC	ZINC000012411290	520610561	/nfs/dbraw/zinc/61/05/61/520610561.db2.gz	AWDPUWODVWOFJG-YBEGLDIGSA-N	0	0	438.286	5.028	50	30		IKEARN
CCOc1cc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc(Br)c1OCC	ZINC000015911782	520628818	/nfs/dbraw/zinc/62/88/18/520628818.db2.gz	ZYFTZWKJBNCUEJ-GZTJUZNOSA-N	0	0	429.354	6.076	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O	ZINC000016688231	520631109	/nfs/dbraw/zinc/63/11/09/520631109.db2.gz	LUGCRIGVRZXROD-YVLHZVERSA-N	0	0	447.354	5.062	50	30		IKEARN
CCOc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1cccc2ccccc21	ZINC000008813851	520641584	/nfs/dbraw/zinc/64/15/84/520641584.db2.gz	TVOZKOAQQKKJQD-OGLMXYFKSA-N	0	0	436.515	6.140	50	30		IKEARN
CCOc1cc(/C=N/n2cnnc2)cc(Cl)c1OCCOc1cc(C)ccc1C(C)C	ZINC000002958533	520644112	/nfs/dbraw/zinc/64/41/12/520644112.db2.gz	RPPYXCKNRBBYJV-UVHMKAGCSA-N	0	0	442.947	5.102	50	30		IKEARN
CCOc1cc(C#N)ccc1O[C@@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC	ZINC000014735624	520653990	/nfs/dbraw/zinc/65/39/90/520653990.db2.gz	GNMZSOCBCXXLHD-HNNXBMFYSA-N	0	0	430.460	5.271	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000000709668	520779271	/nfs/dbraw/zinc/77/92/71/520779271.db2.gz	PNBMOJTYKBKKSI-PPHZAIPVSA-N	0	0	426.516	5.770	50	30		IKEARN
CCOC(=O)CS/C(=N\c1ccccc1)c1c(C)onc1-c1c(Cl)cccc1Cl	ZINC000008616538	520807622	/nfs/dbraw/zinc/80/76/22/520807622.db2.gz	MIAIIPZMKWBJPF-FLFQWRMESA-N	0	0	449.359	6.331	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000008415391	520809423	/nfs/dbraw/zinc/80/94/23/520809423.db2.gz	IIROCNQGLPEUAO-DEOSSOPVSA-N	0	0	447.554	5.134	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000027547766	520811602	/nfs/dbraw/zinc/81/16/02/520811602.db2.gz	AKJOCDSTXIQCNT-DEOSSOPVSA-N	0	0	447.554	5.134	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000022216185	520812428	/nfs/dbraw/zinc/81/24/28/520812428.db2.gz	WZDGZFPTHVGXIH-OAQYLSRUSA-N	0	0	433.508	5.042	50	30		IKEARN
CCOc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1	ZINC000025560159	520813270	/nfs/dbraw/zinc/81/32/70/520813270.db2.gz	DIYZPLSQUULRPE-MTDXEUNCSA-N	0	0	447.991	7.425	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1	ZINC000000688500	520813839	/nfs/dbraw/zinc/81/38/39/520813839.db2.gz	IWRPYSNXHVNNGX-OAQYLSRUSA-N	0	0	449.963	5.556	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019638550	520819175	/nfs/dbraw/zinc/81/91/75/520819175.db2.gz	MDKPGMFAWUMHKT-IBVKSMDESA-N	0	0	443.543	5.240	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001183823	520819884	/nfs/dbraw/zinc/81/98/84/520819884.db2.gz	DWULHNLCQUHIJD-IVZQSRNASA-N	0	0	427.591	5.370	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000717669	520819949	/nfs/dbraw/zinc/81/99/49/520819949.db2.gz	NVSMXBWCDAZHLR-WAIKUNEKSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001183825	520820479	/nfs/dbraw/zinc/82/04/79/520820479.db2.gz	DWULHNLCQUHIJD-OYHNWAKOSA-N	0	0	427.591	5.370	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000666747	520821764	/nfs/dbraw/zinc/82/17/64/520821764.db2.gz	PPJAPMPUIWUORI-NLFFAJNJSA-N	0	0	449.978	5.901	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@@H](c2c(Cl)cccc2Cl)C1C(=O)c1ccccc1	ZINC000012416592	520828620	/nfs/dbraw/zinc/82/86/20/520828620.db2.gz	CFSPBNVFVLNTSC-JOCHJYFZSA-N	0	0	434.326	6.515	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Br)cc2)C1C(=O)c1ccccc1	ZINC000001069482	520828826	/nfs/dbraw/zinc/82/88/26/520828826.db2.gz	TYTYIQVENKAGRT-QFIPXVFZSA-N	0	0	444.332	5.971	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000022064625	520850136	/nfs/dbraw/zinc/85/01/36/520850136.db2.gz	ZPQSHBUBRJJJCC-HXNPFYCNSA-N	0	0	428.557	5.758	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1	ZINC000001011938	520858902	/nfs/dbraw/zinc/85/89/02/520858902.db2.gz	XBISUPUJBROKNQ-AGSDWXNQSA-N	0	0	446.956	5.380	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/C=C/c2ccccc2OC)c2nc3ccccc3o2)cc1	ZINC000008992156	520871659	/nfs/dbraw/zinc/87/16/59/520871659.db2.gz	UKKTUGDMLZWILI-UBROXMMTSA-N	0	0	425.484	6.215	50	30		IKEARN
CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(OC)c1	ZINC000097466890	520879278	/nfs/dbraw/zinc/87/92/78/520879278.db2.gz	UJUOMSBOBXQIEM-HLTANSAUSA-N	0	0	439.581	5.174	50	30		IKEARN
CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000059503511	520880157	/nfs/dbraw/zinc/88/01/57/520880157.db2.gz	OGHFRPVDZHCOGX-SIDNSYPESA-N	0	0	427.573	6.341	50	30		IKEARN
CCN(CC)c1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1	ZINC000033636913	520883136	/nfs/dbraw/zinc/88/31/36/520883136.db2.gz	DIHFALBCGHHOLC-TWKHWXDSSA-N	0	0	438.619	6.979	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000051366930	520896920	/nfs/dbraw/zinc/89/69/20/520896920.db2.gz	NRXWTULIFTWMEG-UIAIJNLVSA-N	0	0	431.561	5.483	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794672	520923627	/nfs/dbraw/zinc/92/36/27/520923627.db2.gz	LTDKSJCNNZLYJX-DEOSSOPVSA-N	0	0	434.580	5.751	50	30		IKEARN
CCN(CC)c1ccc2cc(-c3csc(N/N=C/c4ccc(OC)cc4)n3)c(=O)oc2c1	ZINC000008453641	520925221	/nfs/dbraw/zinc/92/52/21/520925221.db2.gz	GTJBEUKKECHZAI-AFUMVMLFSA-N	0	0	448.548	5.217	50	30		IKEARN
CCN(CC)c1nc(N=NCc2ccc(Cl)cc2)nc(Nc2ccc(C)c(Cl)c2)n1	ZINC000032123415	520929103	/nfs/dbraw/zinc/92/91/03/520929103.db2.gz	HNWQRQGSWPMXSD-CFRMEGHHSA-N	0	0	444.370	5.523	50	30		IKEARN
CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)CC1	ZINC000015978821	521029326	/nfs/dbraw/zinc/02/93/26/521029326.db2.gz	ROBKVCMWURPRLC-JXMROGBWSA-N	0	0	438.376	5.310	50	30		IKEARN
CCOc1ccc(N/N=C(/Sc2nnc(-c3ccccc3)o2)C(=O)c2ccccc2)cc1	ZINC000025573118	521031303	/nfs/dbraw/zinc/03/13/03/521031303.db2.gz	AXRHLLGDYACKPE-SLEBQGDGSA-N	0	0	444.516	5.536	50	30		IKEARN
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000012368702	521091567	/nfs/dbraw/zinc/09/15/67/521091567.db2.gz	VOBNOMJLKJIYCY-VWNXMTODSA-N	0	0	438.445	6.178	50	30		IKEARN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(C(C)C)cc2)cc1OC	ZINC000013568494	521241522	/nfs/dbraw/zinc/24/15/22/521241522.db2.gz	APWHKHLFUGVKQB-LEWJYISDSA-N	0	0	433.548	5.222	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000021660458	521247963	/nfs/dbraw/zinc/24/79/63/521247963.db2.gz	IZMNHMUWDJVXOA-MHECFPHRSA-N	0	0	430.504	5.349	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000002343693	521256187	/nfs/dbraw/zinc/25/61/87/521256187.db2.gz	WCTKBMBMMXFNNY-GPEOYYQRSA-N	0	0	435.980	6.127	50	30		IKEARN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1	ZINC000016426546	521268907	/nfs/dbraw/zinc/26/89/07/521268907.db2.gz	BINPVEMYXWENRX-DNOBIOAJSA-N	0	0	444.962	6.718	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009805304	521272676	/nfs/dbraw/zinc/27/26/76/521272676.db2.gz	SDHHXLUJMMYDQT-IIMAJNMQSA-N	0	0	446.550	6.701	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012564543	521275648	/nfs/dbraw/zinc/27/56/48/521275648.db2.gz	NVVFSBTXPUHOMW-DEOSSOPVSA-N	0	0	447.510	5.292	50	30		IKEARN
CCCCc1ccc(NC(=S)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1	ZINC000002368885	521283861	/nfs/dbraw/zinc/28/38/61/521283861.db2.gz	KDJNWARNECYWNB-UHFFFAOYSA-N	0	0	434.649	6.244	50	30		IKEARN
CCCc1c(C(=O)ONC(=N)c2ccc(C(C)(C)C)cc2)cnn1-c1ccc(Cl)cc1	ZINC000012340316	521335784	/nfs/dbraw/zinc/33/57/84/521335784.db2.gz	QUMWNTIPAAGWBB-UHFFFAOYSA-N	0	0	438.959	5.253	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC)c(OC)c3)sc2C1	ZINC000035132135	521360535	/nfs/dbraw/zinc/36/05/35/521360535.db2.gz	AEUQPGDABIMYAX-SAYIFAPPSA-N	0	0	438.593	5.830	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1	ZINC000006462294	521364068	/nfs/dbraw/zinc/36/40/68/521364068.db2.gz	GIMBHBUJZDYZDL-JAYSCUBMSA-N	0	0	437.569	5.977	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cc(OC)ccc4OC)c3c2C1	ZINC000025580602	521367202	/nfs/dbraw/zinc/36/72/02/521367202.db2.gz	BIQAKCCSGMCNET-BYEGDDEQSA-N	0	0	438.597	5.696	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1	ZINC000012464748	521367266	/nfs/dbraw/zinc/36/72/66/521367266.db2.gz	GIMBHBUJZDYZDL-HEOQCTJZSA-N	0	0	437.569	5.977	50	30		IKEARN
CCOC(=O)c1c(C)oc2c1C(=CN=c1[nH]c3ccccc3s1)C(=O)c1ccccc1-2	ZINC000100859160	521402558	/nfs/dbraw/zinc/40/25/58/521402558.db2.gz	YJMACYTZBJJSIO-VBKFSLOCSA-N	0	0	430.485	5.691	50	30		IKEARN
CCOC(=O)c1ccc(-c2ccc(CN=Nc3oc(-c4ccccc4)nc3C#N)o2)cc1	ZINC000026841292	521459357	/nfs/dbraw/zinc/45/93/57/521459357.db2.gz	FJMTUIRXAHZYMW-CVKSISIWSA-N	0	0	426.432	5.096	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccc(OC)cc1	ZINC000223245027	521510977	/nfs/dbraw/zinc/51/09/77/521510977.db2.gz	SWMOBNPBOILOTF-WRKLRJIISA-N	0	0	449.488	5.487	50	30		IKEARN
CCCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1nnc(-c2ccco2)o1	ZINC000082050027	521521645	/nfs/dbraw/zinc/52/16/45/521521645.db2.gz	ZNVLEPHURURJAP-UHFFFAOYSA-N	0	0	444.491	5.061	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C	ZINC000008385196	521533334	/nfs/dbraw/zinc/53/33/34/521533334.db2.gz	UVGSRIKXBAAQKN-LWVPEANGSA-N	0	0	429.973	5.245	50	30		IKEARN
CCOC(=O)c1cccc2nc(OCC)n(Cc3ccc(-c4ccccc4C#N)cc3)c21	ZINC000021989286	521548227	/nfs/dbraw/zinc/54/82/27/521548227.db2.gz	GYTTUVXCCHRIBA-UHFFFAOYSA-N	0	0	425.488	5.199	50	30		IKEARN
CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3C)nn21	ZINC000009856591	521580860	/nfs/dbraw/zinc/58/08/60/521580860.db2.gz	IWUCKSFKRGXOJQ-HSZRJFAPSA-N	0	0	446.576	5.300	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000012520215	521636317	/nfs/dbraw/zinc/63/63/17/521636317.db2.gz	CVLCXEYQWASSSI-BFUOFWGJSA-N	0	0	426.508	5.000	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(Br)c1)O2	ZINC000013682591	521647625	/nfs/dbraw/zinc/64/76/25/521647625.db2.gz	FGHKMABUYXVRHB-MOSHPQCFSA-N	0	0	430.342	5.393	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020650893	521647895	/nfs/dbraw/zinc/64/78/95/521647895.db2.gz	UGOZTJDWKQPOEB-ITYLOYPMSA-N	0	0	427.544	6.297	50	30		IKEARN
CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681686	521649539	/nfs/dbraw/zinc/64/95/39/521649539.db2.gz	JNAIMEWMJYVGEW-UHFFFAOYSA-N	0	0	448.116	6.406	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c(C)n1	ZINC000032972884	521649683	/nfs/dbraw/zinc/64/96/83/521649683.db2.gz	ZOJIBJHRIWHWTC-UHFFFAOYSA-N	0	0	445.611	5.606	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c(C)n1	ZINC000032972869	521650091	/nfs/dbraw/zinc/65/00/91/521650091.db2.gz	CXRYTGPLGRBZKW-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972922	521650510	/nfs/dbraw/zinc/65/05/10/521650510.db2.gz	NPNBVIWJOOMDQB-UHFFFAOYSA-N	0	0	435.547	5.262	50	30		IKEARN
CC[C@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000000673085	521782058	/nfs/dbraw/zinc/78/20/58/521782058.db2.gz	PNXJNSIYRDXNJQ-MRDQGFSESA-N	0	0	432.564	6.027	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccccc2Cl)o1	ZINC000020617963	521792181	/nfs/dbraw/zinc/79/21/81/521792181.db2.gz	KUKHFODSMFPWGD-WSDLNYQXSA-N	0	0	428.901	5.358	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000036611349	521794234	/nfs/dbraw/zinc/79/42/34/521794234.db2.gz	TUELZRCBPNVTDF-GZIVZEMBSA-N	0	0	447.294	5.689	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1	ZINC000036611480	521795102	/nfs/dbraw/zinc/79/51/02/521795102.db2.gz	WNUCEJPISUPWJX-LSFURLLWSA-N	0	0	426.876	5.344	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12	ZINC000032943371	521850471	/nfs/dbraw/zinc/85/04/71/521850471.db2.gz	CMFKBUFUXWRHAY-UHFFFAOYSA-N	0	0	444.966	5.824	50	30		IKEARN
CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000021722680	521873442	/nfs/dbraw/zinc/87/34/42/521873442.db2.gz	ZSVXZNDQMRWIIZ-MHZLTWQESA-N	0	0	441.531	5.461	50	30		IKEARN
COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2	ZINC000095344622	521886872	/nfs/dbraw/zinc/88/68/72/521886872.db2.gz	SSFGQCRZUFDDEM-QJLCOAGJSA-N	0	0	425.569	5.241	50	30	biogenic	IKEARN
COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2	ZINC000061992795	521888910	/nfs/dbraw/zinc/88/89/10/521888910.db2.gz	SSFGQCRZUFDDEM-NPJZFRQBSA-N	0	0	425.569	5.241	50	30	biogenic	IKEARN
CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	ZINC000021356087	521893642	/nfs/dbraw/zinc/89/36/42/521893642.db2.gz	UGITXKOPXMTIIX-RUZDIDTESA-N	0	0	443.572	6.523	50	30		IKEARN
COc1cc(/C=C(/C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000012756029	521922461	/nfs/dbraw/zinc/92/24/61/521922461.db2.gz	PSXOOMWRYCCWLC-UYRXBGFRSA-N	0	0	429.472	5.586	50	30		IKEARN
COC(=O)c1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	ZINC000012462887	521933911	/nfs/dbraw/zinc/93/39/11/521933911.db2.gz	CMLPCGAZLNCEMU-RUEDEKBQSA-N	0	0	442.540	5.899	50	30		IKEARN
COc1cc(/C=C2\CC/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC	ZINC000033437938	521962863	/nfs/dbraw/zinc/96/28/63/521962863.db2.gz	SIGQVFHJILUFKR-BSHIDLADSA-N	0	0	449.330	5.858	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc(OC)c1OC	ZINC000012898500	521968805	/nfs/dbraw/zinc/96/88/05/521968805.db2.gz	ZTGBLCKWTGTTRV-SXJABBKVSA-N	0	0	444.483	5.421	50	30	biogenic	IKEARN
COc1cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)ccc1OCc1ccccc1	ZINC000095108952	522001747	/nfs/dbraw/zinc/00/17/47/522001747.db2.gz	CKQVCJRJNJCLRG-JVWAILMASA-N	0	0	443.572	6.516	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4c(cccc4C)o3)c2)c1O	ZINC000001425036	522025648	/nfs/dbraw/zinc/02/56/48/522025648.db2.gz	VXZRHBLPJIPNFT-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000043685288	522049106	/nfs/dbraw/zinc/04/91/06/522049106.db2.gz	BNCCOTVXLZZPAN-LDADJPATSA-N	0	0	449.890	5.931	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000043685281	522050197	/nfs/dbraw/zinc/05/01/97/522050197.db2.gz	CEDGMPQHEBUTKF-LDADJPATSA-N	0	0	449.890	5.931	50	30		IKEARN
COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001434754	522174629	/nfs/dbraw/zinc/17/46/29/522174629.db2.gz	XEOFLJWHOWJEGJ-KDYSTLNUSA-N	0	0	438.527	5.761	50	30		IKEARN
COc1cc(F)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000085413361	522584645	/nfs/dbraw/zinc/58/46/45/522584645.db2.gz	MQSYXWTUEHCXBE-SANMLTNESA-N	0	0	431.507	6.306	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O	ZINC000030770039	522869488	/nfs/dbraw/zinc/86/94/88/522869488.db2.gz	IJBHQMFLZRYIRY-HAHDFKILSA-N	0	0	430.479	5.110	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1	ZINC000019635429	522881061	/nfs/dbraw/zinc/88/10/61/522881061.db2.gz	GJXNZLWSOVVDNT-NYHFZMIOSA-N	0	0	442.342	5.528	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl	ZINC000020322694	522881191	/nfs/dbraw/zinc/88/11/91/522881191.db2.gz	LJCYWJFELCCEMQ-NYHFZMIOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000000717194	522882292	/nfs/dbraw/zinc/88/22/92/522882292.db2.gz	FOXLSVCGCITMAQ-VBKZILBWSA-N	0	0	447.478	5.302	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000001132869	522885866	/nfs/dbraw/zinc/88/58/66/522885866.db2.gz	QHBICNYMJNTCBC-ZUOKHONESA-N	0	0	432.303	5.121	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O	ZINC000013568560	522932598	/nfs/dbraw/zinc/93/25/98/522932598.db2.gz	SWQKAUBNQMTHIB-QUGAMOGWSA-N	0	0	430.479	5.519	50	30		IKEARN
COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O	ZINC000028052265	522936124	/nfs/dbraw/zinc/93/61/24/522936124.db2.gz	LLRSHVCWDRHYSA-OYHNWAKOSA-N	0	0	436.895	5.309	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2)ccc1OC(C)C	ZINC000013568613	522957492	/nfs/dbraw/zinc/95/74/92/522957492.db2.gz	LEZOUGGFQGMRHJ-MJGOQNOKSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000000721889	522965804	/nfs/dbraw/zinc/96/58/04/522965804.db2.gz	JHZIQNXEODGTCH-URAOTHONSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21	ZINC000002139338	523040534	/nfs/dbraw/zinc/04/05/34/523040534.db2.gz	JXAHPKGSADSYCK-HSZRJFAPSA-N	0	0	449.300	5.651	50	30	biogenic	IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccccc3O)n2)cc1OC	ZINC000012379000	523087164	/nfs/dbraw/zinc/08/71/64/523087164.db2.gz	BQHMMXJJTNXQJD-STBIYBPSSA-N	0	0	440.503	5.370	50	30		IKEARN
COc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1	ZINC000025560163	523165290	/nfs/dbraw/zinc/16/52/90/523165290.db2.gz	GHFCEEZOKDZOCK-AFUMVMLFSA-N	0	0	429.501	5.720	50	30		IKEARN
CCn1c2ccccc2c2cc(C=NN3C(=S)N=NC3c3ccc(Cl)cc3)ccc21	ZINC000002199147	523274150	/nfs/dbraw/zinc/27/41/50/523274150.db2.gz	GQIBEJLQKPNSNF-AFUMVMLFSA-N	0	0	431.952	5.897	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21	ZINC000008993023	523304464	/nfs/dbraw/zinc/30/44/64/523304464.db2.gz	DEKYMZAPIJUBKE-AFUMVMLFSA-N	0	0	427.475	6.304	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCCCCC3)C2=O)c2cc(OC)ccc21	ZINC000020650742	523305736	/nfs/dbraw/zinc/30/57/36/523305736.db2.gz	RFWKINAAPLKRNK-AFUMVMLFSA-N	0	0	446.547	5.368	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21	ZINC000008991147	523305778	/nfs/dbraw/zinc/30/57/78/523305778.db2.gz	FPSKOHSZTNPLJA-LPYMAVHISA-N	0	0	433.504	5.306	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3F)cc2-c2ccc(F)cc2)cc1	ZINC000035843469	523311467	/nfs/dbraw/zinc/31/14/67/523311467.db2.gz	WDDZGOCDIUHQSF-YKQZZPSBSA-N	0	0	446.497	6.680	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000012951734	523357416	/nfs/dbraw/zinc/35/74/16/523357416.db2.gz	UKGQURNMPWDUHZ-KTBVQQIISA-N	0	0	435.907	5.802	50	30		IKEARN
COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1COc1ccc([N+](=O)[O-])cc1	ZINC000009046299	523383486	/nfs/dbraw/zinc/38/34/86/523383486.db2.gz	KLRRZGLETBWHLL-YCRREMRBSA-N	0	0	447.531	5.981	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OC	ZINC000013602891	523399536	/nfs/dbraw/zinc/39/95/36/523399536.db2.gz	BZALJEZENKRHHS-JLHYYAGUSA-N	0	0	425.484	5.417	50	30		IKEARN
COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@@]3(C)C2=O)cc1	ZINC000036612260	523418530	/nfs/dbraw/zinc/41/85/30/523418530.db2.gz	FJIRFWDJPBXNKB-WSLNNMBCSA-N	0	0	430.544	5.739	50	30		IKEARN
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc([N+](=O)[O-])c(C)c1	ZINC000012445977	523419246	/nfs/dbraw/zinc/41/92/46/523419246.db2.gz	KKRCBYMADURPBY-XSFVSMFZSA-N	0	0	429.472	5.703	50	30	biogenic,in-vitro	IKEARN
COc1ccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)cc1OC	ZINC000020647105	523420860	/nfs/dbraw/zinc/42/08/60/523420860.db2.gz	AHWQLNSSMLRXOM-MSXFZWOLSA-N	0	0	439.552	5.140	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3C2=O)cc1	ZINC000012374180	523422298	/nfs/dbraw/zinc/42/22/98/523422298.db2.gz	UFJCBLHJHZPKRF-IWIPYMOSSA-N	0	0	428.484	5.828	50	30	biogenic	IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1	ZINC000002443241	523426595	/nfs/dbraw/zinc/42/65/95/523426595.db2.gz	GRGJAQWAZGWUTR-APSNUPSMSA-N	0	0	442.846	5.268	50	30		IKEARN
COc1ccc(/C=C\C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000033636457	523430239	/nfs/dbraw/zinc/43/02/39/523430239.db2.gz	QNPMMGIKKSPCBU-ALCCZGGFSA-N	0	0	449.551	5.264	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)cc1OC	ZINC000015659923	523432952	/nfs/dbraw/zinc/43/29/52/523432952.db2.gz	BZALJEZENKRHHS-RAXLEYEMSA-N	0	0	425.484	5.417	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)cc1	ZINC000016677506	523445458	/nfs/dbraw/zinc/44/54/58/523445458.db2.gz	TVBWTPMFVMGQKQ-ZVHZXABRSA-N	0	0	433.309	5.514	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1	ZINC000004471328	523466690	/nfs/dbraw/zinc/46/66/90/523466690.db2.gz	ZFCGBTGMOXWFMB-HZHRSRAPSA-N	0	0	446.528	5.174	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1	ZINC000097466931	523466778	/nfs/dbraw/zinc/46/67/78/523466778.db2.gz	JIPUVBHDVDMKSR-YVQDBNNVSA-N	0	0	446.956	5.323	50	30		IKEARN
COc1ccc(/N=C2\[C@@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000021152148	523471841	/nfs/dbraw/zinc/47/18/41/523471841.db2.gz	SRPAIVWLEBJDKG-PCOHFRABSA-N	0	0	425.960	5.306	50	30		IKEARN
COc1ccc(C(=O)C=CNc2ccc(NC=CC(=O)c3ccc(OC)cc3)cc2)cc1	ZINC000013590810	523540138	/nfs/dbraw/zinc/54/01/38/523540138.db2.gz	LHEGFAUWEYPCOX-YTEMWHBBSA-N	0	0	428.488	5.321	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000012564680	523541676	/nfs/dbraw/zinc/54/16/76/523541676.db2.gz	ZOTOCPNECSZKGW-NTCAYCPXSA-N	0	0	425.444	5.352	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc(NC(C)=O)cc3)c2)cc1	ZINC000006073803	523541910	/nfs/dbraw/zinc/54/19/10/523541910.db2.gz	QQBBNQFAOTXOQM-LNKIKWGQSA-N	0	0	431.488	5.137	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cccc(OC(=O)N(c3ccccc3)c3ccccc3)c2)cc1	ZINC000011868143	523542858	/nfs/dbraw/zinc/54/28/58/523542858.db2.gz	QHTXWEUOXDPMRP-HMMYKYKNSA-N	0	0	449.506	6.928	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C	ZINC000032973373	523635514	/nfs/dbraw/zinc/63/55/14/523635514.db2.gz	RLRNVLYTRLKFLH-UHFFFAOYSA-N	0	0	445.611	5.194	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1	ZINC000012466100	523668788	/nfs/dbraw/zinc/66/87/88/523668788.db2.gz	JNAAZPVXVYVNER-TZFGQJNGSA-N	0	0	431.319	5.224	50	30		IKEARN
CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(N2CCOCC2)cc1	ZINC000013286298	523673913	/nfs/dbraw/zinc/67/39/13/523673913.db2.gz	RQIDYPMJQCDFIZ-KBEOOMRJSA-N	0	0	448.375	5.064	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@@H]2c2ccco2)cc1	ZINC000009332484	523678680	/nfs/dbraw/zinc/67/86/80/523678680.db2.gz	PMKHIXTVTHTQKW-LMKMVOKYSA-N	0	0	428.488	5.355	50	30		IKEARN
CN1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1	ZINC000020470050	523738344	/nfs/dbraw/zinc/73/83/44/523738344.db2.gz	CSEWJOXSVCTUKZ-OTYYAQKOSA-N	0	0	447.170	5.193	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2)C3=O)cc1OC	ZINC000011869969	523774309	/nfs/dbraw/zinc/77/43/09/523774309.db2.gz	IOKJFPSQDPZDEG-DDIODMMUSA-N	0	0	428.440	5.095	50	30	biogenic	IKEARN
CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccccc3OCc3ccc(Cl)cc3)S2)cc1	ZINC000009311179	523874771	/nfs/dbraw/zinc/87/47/71/523874771.db2.gz	JMTDRUQQMPIFQC-HAHDFKILSA-N	0	0	448.975	6.373	50	30		IKEARN
CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1	ZINC000013145557	523874808	/nfs/dbraw/zinc/87/48/08/523874808.db2.gz	VXRKAEJOVJUQQA-CPNJWEJPSA-N	0	0	440.977	6.538	50	30		IKEARN
CCc1ccc(/N=C2/c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1	ZINC000012413232	523875790	/nfs/dbraw/zinc/87/57/90/523875790.db2.gz	NVVNULYIJWROEX-HYOGKJQXSA-N	0	0	437.587	5.629	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002082321	523876215	/nfs/dbraw/zinc/87/62/15/523876215.db2.gz	OGDLPSCUKHXIFJ-ZEHKLFRWSA-N	0	0	442.584	6.629	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3cccc(OC)c3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950859	523876547	/nfs/dbraw/zinc/87/65/47/523876547.db2.gz	NMMGCXYQGWJFMP-UHFFFAOYSA-N	0	0	437.492	5.046	50	30		IKEARN
CCc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984410	523964346	/nfs/dbraw/zinc/96/43/46/523964346.db2.gz	IRYPEJRBELQTPJ-UHFFFAOYSA-N	0	0	435.520	5.655	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000001082039	524007154	/nfs/dbraw/zinc/00/71/54/524007154.db2.gz	RUCSBLGADDDLHI-WOILTVAASA-N	0	0	445.559	5.399	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1	ZINC000035982123	524008000	/nfs/dbraw/zinc/00/80/00/524008000.db2.gz	QHSIPLRFUZZWRP-ZCPGDWHISA-N	0	0	431.532	5.096	50	30		IKEARN
CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001430889	524034409	/nfs/dbraw/zinc/03/44/09/524034409.db2.gz	JIHNHILMTGHDLC-IBGZPJMESA-N	0	0	430.573	5.589	50	30		IKEARN
CCc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1	ZINC000064873994	524034937	/nfs/dbraw/zinc/03/49/37/524034937.db2.gz	UWEGGUDNYVHHRN-XMMPIXPASA-N	0	0	440.547	5.356	50	30		IKEARN
COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccccc2OC)cc1	ZINC000012652228	524043527	/nfs/dbraw/zinc/04/35/27/524043527.db2.gz	OVALUAZQWTVGQS-MUUNZHRXSA-N	0	0	440.543	5.884	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1	ZINC000013571214	524060219	/nfs/dbraw/zinc/06/02/19/524060219.db2.gz	WDYAIVDJJLWZEM-FQEVSTJZSA-N	0	0	446.553	5.703	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000013569450	524060388	/nfs/dbraw/zinc/06/03/88/524060388.db2.gz	WRRZDJSSYKHCQI-QFIPXVFZSA-N	0	0	440.524	5.642	50	30		IKEARN
CNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1	ZINC000021722392	524077219	/nfs/dbraw/zinc/07/72/19/524077219.db2.gz	UPRZMAGQQCKCLP-SSOJOUAXSA-N	0	0	443.503	5.002	50	30		IKEARN
Cc1ccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc2c1	ZINC000103752991	524085940	/nfs/dbraw/zinc/08/59/40/524085940.db2.gz	BGPZVNFGAVWQIN-YDZHTSKRSA-N	0	0	438.268	6.158	50	30		IKEARN
Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1	ZINC000000883187	524099000	/nfs/dbraw/zinc/09/90/00/524099000.db2.gz	WJFKHABEGSLKLN-VKGTZQKMSA-N	0	0	448.522	6.081	50	30	biogenic	IKEARN
Cc1ccc2occ([C@@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1	ZINC000000883183	524099444	/nfs/dbraw/zinc/09/94/44/524099444.db2.gz	WJFKHABEGSLKLN-GDJIYFAZSA-N	0	0	448.522	6.081	50	30	biogenic	IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2)cc1	ZINC000019762184	524110360	/nfs/dbraw/zinc/11/03/60/524110360.db2.gz	VSCKTDPFELJHJH-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O	ZINC000000815895	524131656	/nfs/dbraw/zinc/13/16/56/524131656.db2.gz	XYKAAHIVTFOQNE-DWXRJYCRSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000021721966	524137507	/nfs/dbraw/zinc/13/75/07/524137507.db2.gz	HMWDLWIUMFVQOQ-HHHXNRCGSA-N	0	0	441.531	5.515	50	30		IKEARN
Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1	ZINC000021355966	524146816	/nfs/dbraw/zinc/14/68/16/524146816.db2.gz	VCSCNWKOKQMZNU-VWLOTQADSA-N	0	0	443.572	6.577	50	30		IKEARN
Cc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1	ZINC000013896304	524152556	/nfs/dbraw/zinc/15/25/56/524152556.db2.gz	NBDMVMSMZLRAIY-WAMJVRJTSA-N	0	0	437.568	6.323	50	30		IKEARN
COc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1	ZINC000001430136	524173271	/nfs/dbraw/zinc/17/32/71/524173271.db2.gz	JWFLFNWBIYTQJB-LJQANCHMSA-N	0	0	446.572	5.425	50	30		IKEARN
COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000000893671	524186409	/nfs/dbraw/zinc/18/64/09/524186409.db2.gz	IQINLGKEWVTTPJ-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1cc(C)c(CO/N=C/c2ccc(-c3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c(C)c1	ZINC000012339819	524273291	/nfs/dbraw/zinc/27/32/91/524273291.db2.gz	CWWJAANHPQQJPN-KBKYJPHKSA-N	0	0	432.398	6.350	50	30		IKEARN
Cc1cc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3C)C2=O)c(C)c1	ZINC000003041521	524304587	/nfs/dbraw/zinc/30/45/87/524304587.db2.gz	ORJHYAIYUPDYDA-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccc(C(C)C)cc3)cc2)c(C)c1	ZINC000012953868	524326620	/nfs/dbraw/zinc/32/66/20/524326620.db2.gz	PWOSTUOCBMDMHG-OVCLIPMQSA-N	0	0	448.584	6.399	50	30		IKEARN
Cc1cc(C)c2c(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3sccc3C#N)n2n1	ZINC000012568786	524340103	/nfs/dbraw/zinc/34/01/03/524340103.db2.gz	ANXRSYHSULQDCC-HNNXBMFYSA-N	0	0	433.562	5.066	50	30		IKEARN
COc1ccccc1C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000012366813	524348183	/nfs/dbraw/zinc/34/81/83/524348183.db2.gz	QXUSVRSUZNUQEH-UHFFFAOYSA-N	0	0	444.734	5.151	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1	ZINC000027520685	524361112	/nfs/dbraw/zinc/36/11/12/524361112.db2.gz	IUIVQQLUBNBMEZ-YBFXNURJSA-N	0	0	443.355	6.762	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O	ZINC000002135119	524362959	/nfs/dbraw/zinc/36/29/59/524362959.db2.gz	FCNXREDFYNNIRS-FTWDSPQQSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
COc1ccc(N(Cc2cccs2)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1	ZINC000012543867	524369287	/nfs/dbraw/zinc/36/92/87/524369287.db2.gz	YHODVLCQHZGXSH-UHFFFAOYSA-N	0	0	437.590	5.274	50	30		IKEARN
Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000021722286	524426762	/nfs/dbraw/zinc/42/67/62/524426762.db2.gz	RIGWGBHEFHVKHV-RUZDIDTESA-N	0	0	427.504	6.109	50	30		IKEARN
Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000021722284	524428085	/nfs/dbraw/zinc/42/80/85/524428085.db2.gz	RIGWGBHEFHVKHV-VWLOTQADSA-N	0	0	427.504	6.109	50	30		IKEARN
C[C@@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	ZINC000240321613	524438225	/nfs/dbraw/zinc/43/82/25/524438225.db2.gz	FARUJJLVHFTRHP-HNNXBMFYSA-N	0	0	437.619	5.954	50	30		IKEARN
Cc1ccc(CN2c3ccc(Br)cc3C(=NNc3cccc(C)c3)C2=O)cc1	ZINC000020615751	524485051	/nfs/dbraw/zinc/48/50/51/524485051.db2.gz	AQCNKVYIWOELLR-ROMGYVFFSA-N	0	0	434.337	5.429	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1	ZINC000020558810	524486324	/nfs/dbraw/zinc/48/63/24/524486324.db2.gz	YFIMCRXSVKJXEP-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccc(F)cc3)S2)c1	ZINC000027522332	524654773	/nfs/dbraw/zinc/65/47/73/524654773.db2.gz	OARDIVULBYUSCY-AOKXBXCXSA-N	0	0	447.535	5.295	50	30		IKEARN
Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1	ZINC000245255477	524657553	/nfs/dbraw/zinc/65/75/53/524657553.db2.gz	IPHQYXBFPOIGLR-DFCKQENNSA-N	0	0	428.919	5.784	50	30		IKEARN
Cc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1	ZINC000012125086	524687490	/nfs/dbraw/zinc/68/74/90/524687490.db2.gz	DRQXGNCDEPIHFF-DAMKXSJNSA-N	0	0	437.952	5.318	50	30		IKEARN
Cc1ccc(Cl)cc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O	ZINC000020558894	524728430	/nfs/dbraw/zinc/72/84/30/524728430.db2.gz	DVKRFLKWEPFIRQ-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1ccc(Cl)cc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O	ZINC000020575625	524729729	/nfs/dbraw/zinc/72/97/29/524729729.db2.gz	KPCGRNADXADCIT-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2	ZINC000013568662	524749934	/nfs/dbraw/zinc/74/99/34/524749934.db2.gz	FRACDMYJQALVPS-CBZJRKILSA-N	0	0	440.499	5.403	50	30		IKEARN
COc1ccc(OC)c(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1	ZINC000008915578	524797212	/nfs/dbraw/zinc/79/72/12/524797212.db2.gz	JPSDLUAOCROINT-CJLVFECKSA-N	0	0	443.499	6.056	50	30		IKEARN
COc1ccc(OC)c(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1	ZINC000020647280	524799197	/nfs/dbraw/zinc/79/91/97/524799197.db2.gz	QPAHXOBLCNUXLM-MSXFZWOLSA-N	0	0	439.552	5.140	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000033393163	524801492	/nfs/dbraw/zinc/80/14/92/524801492.db2.gz	GXMBUPUSJQJUTO-JTUXUYRKSA-N	0	0	430.529	5.508	50	30		IKEARN
Cc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)c1	ZINC000064775593	524841166	/nfs/dbraw/zinc/84/11/66/524841166.db2.gz	ZWXQAHWHZDTBJO-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1	ZINC000013568518	524893985	/nfs/dbraw/zinc/89/39/85/524893985.db2.gz	SYCGTWZEFYLLFC-UWJYYQICSA-N	0	0	433.548	5.006	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c(C)c1	ZINC000032943053	524913125	/nfs/dbraw/zinc/91/31/25/524913125.db2.gz	VTYZZSIVAWWSPQ-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1	ZINC000020575727	524913539	/nfs/dbraw/zinc/91/35/39/524913539.db2.gz	HWQOTCFQQPERGT-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
Cc1ccc(N2C(=O)C(C)(C)[C@H]([NH+]3CCCCC3)/C2=N\C23CC4CC(CC(C4)C2)C3)cc1	ZINC000021152124	524917567	/nfs/dbraw/zinc/91/75/67/524917567.db2.gz	VXANDOXHZPFXFR-XOIRIKARSA-N	0	0	433.640	5.590	50	30		IKEARN
COc1ccc(OC)c([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000000709527	524918156	/nfs/dbraw/zinc/91/81/56/524918156.db2.gz	GCVGKBWXCHEOJV-XRHLQHRESA-N	0	0	426.516	5.683	50	30		IKEARN
Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2)cc1	ZINC000013285661	524918813	/nfs/dbraw/zinc/91/88/13/524918813.db2.gz	GLWOQTQRTNGRLD-QDJRPKQISA-N	0	0	429.570	6.174	50	30		IKEARN
COc1ccc(OCCOc2ccc(C)cc2/C=N/NC(=S)Nc2ccc(C)cc2)cc1	ZINC000009554214	524963563	/nfs/dbraw/zinc/96/35/63/524963563.db2.gz	FAOSIBGJULEPAV-YZSQISJMSA-N	0	0	449.576	5.090	50	30		IKEARN
COc1ccc(OCc2ccccn2)c(/C=C/C(=O)c2cc(Cl)c(OC)cc2OC)c1	ZINC000058103812	524974172	/nfs/dbraw/zinc/97/41/72/524974172.db2.gz	ZELSVHVZRCIGDC-VQHVLOKHSA-N	0	0	439.895	5.236	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)nc1	ZINC000009861142	525020751	/nfs/dbraw/zinc/02/07/51/525020751.db2.gz	AUCKOSJKLBGHCU-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccccc3C)c(=O)c2sc1=S	ZINC000003026626	525027361	/nfs/dbraw/zinc/02/73/61/525027361.db2.gz	VLNPKQSKGYFSFV-UHFFFAOYSA-N	0	0	436.587	5.200	50	30		IKEARN
Cc1ccccc1/C=C1\Oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2C1=O	ZINC000002409594	525038825	/nfs/dbraw/zinc/03/88/25/525038825.db2.gz	UOAIKUXVCOWSMO-IMRQLAEWSA-N	0	0	447.490	6.948	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C	ZINC000002082946	525042224	/nfs/dbraw/zinc/04/22/24/525042224.db2.gz	FSNQOLKXMCXULO-MKRFAJQFSA-N	0	0	428.513	5.841	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O	ZINC000002134714	525063702	/nfs/dbraw/zinc/06/37/02/525063702.db2.gz	JONRCRQRQIPHPJ-IZVPMIMASA-N	0	0	444.870	5.883	50	30	biogenic	IKEARN
Cc1ccc(NC(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)cc1	ZINC000012645115	525078304	/nfs/dbraw/zinc/07/83/04/525078304.db2.gz	PXUJLFMLYCMDTJ-UHFFFAOYSA-N	0	0	441.600	5.657	50	30		IKEARN
C[C@@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@@H](C)O1	ZINC000033027109	525079082	/nfs/dbraw/zinc/07/90/82/525079082.db2.gz	BLWHKQOPCPKCEV-IAGOWNOFSA-N	0	0	429.476	5.152	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1C	ZINC000021722338	525149669	/nfs/dbraw/zinc/14/96/69/525149669.db2.gz	CPCSBTWPGGDKEM-VWLOTQADSA-N	0	0	443.572	6.577	50	30		IKEARN
COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1	ZINC000004546933	525173513	/nfs/dbraw/zinc/17/35/13/525173513.db2.gz	RZWAHTGGSSNXIY-CLJLJLNGSA-N	0	0	439.942	7.166	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850064	525185725	/nfs/dbraw/zinc/18/57/25/525185725.db2.gz	DNIAJIIBCUUTBY-FQEVSTJZSA-N	0	0	436.606	5.598	50	30		IKEARN
Cc1ccccc1NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1	ZINC000002075469	525219138	/nfs/dbraw/zinc/21/91/38/525219138.db2.gz	NGFRSYJEESVIHS-OOAXWGSJSA-N	0	0	426.303	6.241	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1	ZINC000019855366	525230215	/nfs/dbraw/zinc/23/02/15/525230215.db2.gz	JZVUAWGNWBCWQD-DFBJGRDBSA-N	0	0	449.522	5.148	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000001457562	525230502	/nfs/dbraw/zinc/23/05/02/525230502.db2.gz	SZKORZTXWSYTIG-UZTOHYMASA-N	0	0	428.507	6.122	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC	ZINC000013568522	525231428	/nfs/dbraw/zinc/23/14/28/525231428.db2.gz	SZVJJKBBXRRTCE-MRDQGFSESA-N	0	0	430.504	5.585	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)cc1C	ZINC000064874263	525254718	/nfs/dbraw/zinc/25/47/18/525254718.db2.gz	GJBWFJYMGUYKTH-QHCPKHFHSA-N	0	0	446.938	5.428	50	30		IKEARN
Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000015946467	525262056	/nfs/dbraw/zinc/26/20/56/525262056.db2.gz	ZJIQKEVCHBYUGA-MQRLXVCBSA-N	0	0	448.607	7.350	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccccc1Cl	ZINC000064874256	525265143	/nfs/dbraw/zinc/26/51/43/525265143.db2.gz	OUOHNIRUWMXYLR-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
COc1ccc([C@@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1	ZINC000009593524	525266625	/nfs/dbraw/zinc/26/66/25/525266625.db2.gz	BBNMSOYZZDBMLU-FQEVSTJZSA-N	0	0	425.282	5.535	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1	ZINC000016426528	525267805	/nfs/dbraw/zinc/26/78/05/525267805.db2.gz	WXNCEAQGONUWPI-SOKVYYICSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000013568554	525268008	/nfs/dbraw/zinc/26/80/08/525268008.db2.gz	BNQZVNDPPTXWIL-QLXKLKPCSA-N	0	0	446.934	6.034	50	30		IKEARN
CSC(=NC1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2C)O1)SC	ZINC000012366814	525286461	/nfs/dbraw/zinc/28/64/61/525286461.db2.gz	FXXMKJKINRSTGV-UHFFFAOYSA-N	0	0	429.411	5.031	50	30		IKEARN
CSC(=NS(=O)(=O)c1ccccc1)NCc1c(Cl)cccc1Oc1ccccc1	ZINC000013464730	525286482	/nfs/dbraw/zinc/28/64/82/525286482.db2.gz	GSPKOMWCZAITIL-UHFFFAOYSA-N	0	0	446.981	5.330	50	30		IKEARN
CSC1=N/C(=N\c2c(C)cccc2C)C2(CCC(C(C)(C)C)CC2)N1c1ccc(C)cc1	ZINC000020805766	525342967	/nfs/dbraw/zinc/34/29/67/525342967.db2.gz	OHRZQEKNZNPWIJ-GNVQSUKOSA-N	0	0	447.692	7.856	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1	ZINC000245228662	525349336	/nfs/dbraw/zinc/34/93/36/525349336.db2.gz	BKFIBDWKIPCPQA-WPFPZGBOSA-N	0	0	441.597	5.755	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O	ZINC000252467472	525349551	/nfs/dbraw/zinc/34/95/51/525349551.db2.gz	NDZYXAXWOZOQAQ-DYCRQLQNSA-N	0	0	434.624	5.884	50	30		IKEARN
Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3cccs3)o2)cc(C)c1Cl	ZINC000036611462	525374120	/nfs/dbraw/zinc/37/41/20/525374120.db2.gz	PECPKIQQTAFLBF-LSHDLFTRSA-N	0	0	444.969	5.620	50	30		IKEARN
Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3ccco3)o2)cc(C)c1Cl	ZINC000020617910	525374596	/nfs/dbraw/zinc/37/45/96/525374596.db2.gz	ZHMMYKPWTIFADX-LSHDLFTRSA-N	0	0	428.901	5.151	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21	ZINC000012639954	525377511	/nfs/dbraw/zinc/37/75/11/525377511.db2.gz	AJHVPYBLECCNCZ-XMMPIXPASA-N	0	0	440.591	6.209	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013761	525384492	/nfs/dbraw/zinc/38/44/92/525384492.db2.gz	ZYXZJJXBBBQEEO-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1	ZINC000000812875	525397853	/nfs/dbraw/zinc/39/78/53/525397853.db2.gz	NKZJACGFXGJYRH-DNOBIOAJSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC	ZINC000013568525	525398386	/nfs/dbraw/zinc/39/83/86/525398386.db2.gz	SZVJJKBBXRRTCE-QUGAMOGWSA-N	0	0	430.504	5.585	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1	ZINC000018324592	525398611	/nfs/dbraw/zinc/39/86/11/525398611.db2.gz	KFMRSICDARYYBV-XHCCPWGMSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3/C=C/c3ccccc3)C2)cc1	ZINC000010035373	525399169	/nfs/dbraw/zinc/39/91/69/525399169.db2.gz	LFSSYFWGTHSGLA-HLZXUPQVSA-N	0	0	447.538	6.126	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC	ZINC000028052525	525400988	/nfs/dbraw/zinc/40/09/88/525400988.db2.gz	TWCIAMNXLKVWJP-KOSHJBKYSA-N	0	0	430.504	5.267	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c(OC)c1	ZINC000016426531	525429887	/nfs/dbraw/zinc/42/98/87/525429887.db2.gz	WXNCEAQGONUWPI-CBZJRKILSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020849713	525440822	/nfs/dbraw/zinc/44/08/22/525440822.db2.gz	JDILMGGGTVZLCL-HXUWFJFHSA-N	0	0	444.491	5.194	50	30		IKEARN
COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl	ZINC000004794648	525442193	/nfs/dbraw/zinc/44/21/93/525442193.db2.gz	RFAHJINACXWYNE-QFIPXVFZSA-N	0	0	427.928	5.566	50	30		IKEARN
COc1ccc([N+](=O)[O-])c(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)c1	ZINC000016215694	525445921	/nfs/dbraw/zinc/44/59/21/525445921.db2.gz	FYSJTHJVVSMFKQ-HCBMXOAHSA-N	0	0	427.285	5.005	50	30		IKEARN
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@H]1CC2	ZINC000012342760	525509258	/nfs/dbraw/zinc/50/92/58/525509258.db2.gz	WORYLAZEPKLIAL-YIGWSHRMSA-N	0	0	439.353	5.274	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C	ZINC000098086347	525521382	/nfs/dbraw/zinc/52/13/82/525521382.db2.gz	GBIHUMJNBWGXIQ-ZMOGYAJESA-N	0	0	436.855	5.057	50	30		IKEARN
Cc1cc2c(c(C)c1)NC(=O)C2=NNc1ccc(C(=O)N(CCC(C)C)CCC(C)C)cc1	ZINC000022656329	525589485	/nfs/dbraw/zinc/58/94/85/525589485.db2.gz	FTQMWTQHIWEKTO-UHFFFAOYSA-N	0	0	448.611	5.606	50	30		IKEARN
COc1ccc2c(c1)c(C(=O)C1=Cc3cc(OC)c(OC)cc3CC(C)(C)N1C)c(C)n2C	ZINC000062001464	525600517	/nfs/dbraw/zinc/60/05/17/525600517.db2.gz	KPWBDFHXNWVGMT-UHFFFAOYSA-N	0	0	448.563	5.003	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1	ZINC000013653640	525625825	/nfs/dbraw/zinc/62/58/25/525625825.db2.gz	QSRNKIXPKSZBPP-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2c(F)cccc2Cl)C3=O)cc1	ZINC000013654959	525626585	/nfs/dbraw/zinc/62/65/85/525626585.db2.gz	BOVQZTNXAHKNPK-MTJSOVHGSA-N	0	0	444.867	5.171	50	30		IKEARN
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1	ZINC000009638240	525644240	/nfs/dbraw/zinc/64/42/40/525644240.db2.gz	IAUZUAMSUXQGME-RELWKKBWSA-N	0	0	425.556	5.107	50	30		IKEARN
COc1ccc2ccccc2c1/C=C1\S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O	ZINC000033097103	525649791	/nfs/dbraw/zinc/64/97/91/525649791.db2.gz	RTFKJFICWLAVQA-SJRNUSAWSA-N	0	0	442.584	6.785	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2[N+](=O)[O-])cc1	ZINC000003028567	525671412	/nfs/dbraw/zinc/67/14/12/525671412.db2.gz	SECAYEVPTUSXMI-WYMPLXKRSA-N	0	0	447.343	6.912	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)c1C#N	ZINC000106920939	525681847	/nfs/dbraw/zinc/68/18/47/525681847.db2.gz	GAQZUPXOIGNYKK-JWQCQUIFSA-N	0	0	443.595	5.192	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)c3ccc(Cl)cc3)n2)cc1	ZINC000012250101	525714272	/nfs/dbraw/zinc/71/42/72/525714272.db2.gz	GCSQZHSBUDOCQE-UHFFFAOYSA-N	0	0	444.943	6.817	50	30		IKEARN
COc1cccc(-n2c(C)c(/C(C)=N\OCc3ccccc3OC)cc2-c2ccccc2)c1	ZINC000035843376	525744568	/nfs/dbraw/zinc/74/45/68/525744568.db2.gz	JBYAAEMNKXFSEL-BRPDVVIDSA-N	0	0	440.543	6.411	50	30		IKEARN
Cc1c(Cl)cccc1NC=C1C(=O)c2ccccc2N(Cc2ccccc2)S1(=O)=O	ZINC000020558890	525758922	/nfs/dbraw/zinc/75/89/22/525758922.db2.gz	VJCKBXYFXHEXNL-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
COc1cccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1OC	ZINC000012555114	525762448	/nfs/dbraw/zinc/76/24/48/525762448.db2.gz	PINYIYIVHZGXKA-SDNWHVSQSA-N	0	0	445.902	5.762	50	30		IKEARN
COc1cccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1O	ZINC000017097021	525766213	/nfs/dbraw/zinc/76/62/13/525766213.db2.gz	KDRHSIVWJBNKAY-NEMYEJEXSA-N	0	0	430.529	5.248	50	30		IKEARN
COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O	ZINC000253501624	525769506	/nfs/dbraw/zinc/76/95/06/525769506.db2.gz	PFLCXOYUUHWAGR-JJYFZJQISA-N	0	0	439.640	5.984	50	30	biogenic	IKEARN
COc1cccc(/C=C2\S/C(=N/c3ccc4ccccc4c3)N(C3CCCCC3)C2=O)c1	ZINC000017445284	525771180	/nfs/dbraw/zinc/77/11/80/525771180.db2.gz	PTZPIXCZGJHVMI-RIOWCJPESA-N	0	0	442.584	6.785	50	30		IKEARN
COc1cccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)c1	ZINC000020602397	525780679	/nfs/dbraw/zinc/78/06/79/525780679.db2.gz	AQCGNKYJOJMXEB-CMDGGOBGSA-N	0	0	447.712	6.179	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013594	525787198	/nfs/dbraw/zinc/78/71/98/525787198.db2.gz	PTAKFIBNXVUHNL-HSZRJFAPSA-N	0	0	436.502	5.516	50	30		IKEARN
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1	ZINC000021722113	525790149	/nfs/dbraw/zinc/79/01/49/525790149.db2.gz	RSGYACKTUAFCNT-AREMUKBSSA-N	0	0	443.591	6.264	50	30		IKEARN
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1	ZINC000014605463	525792019	/nfs/dbraw/zinc/79/20/19/525792019.db2.gz	HUKLXRAWXDWYDK-HHHXNRCGSA-N	0	0	445.607	5.384	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2OCc2ccccc2)cc1	ZINC000016447596	525792062	/nfs/dbraw/zinc/79/20/62/525792062.db2.gz	DGXSOXOBGCYYPX-UPVQGACJSA-N	0	0	437.539	5.578	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1	ZINC000020850487	525792925	/nfs/dbraw/zinc/79/29/25/525792925.db2.gz	FCTGPFJVYUOKLL-JOCHJYFZSA-N	0	0	448.567	5.676	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1	ZINC000020850008	525793629	/nfs/dbraw/zinc/79/36/29/525793629.db2.gz	UXZRGWIVQOCFRW-HSZRJFAPSA-N	0	0	444.604	5.845	50	30		IKEARN
Cc1ccc([C@@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954679	525860913	/nfs/dbraw/zinc/86/09/13/525860913.db2.gz	XZEGGEUKVUWRCR-QFIPXVFZSA-N	0	0	430.960	6.190	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000253497861	525913799	/nfs/dbraw/zinc/91/37/99/525913799.db2.gz	UELTYJDTQILMTO-TWOMTAPYSA-N	0	0	446.553	6.671	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O	ZINC000253499240	525914702	/nfs/dbraw/zinc/91/47/02/525914702.db2.gz	UILXPFRZQGQVFT-QFLIGWEISA-N	0	0	442.546	6.174	50	30	biogenic	IKEARN
Cc1c2c(ccc1OCc1ccc(Cl)cc1)C(=O)/C(=C/c1cn(C)c3ccccc13)O2	ZINC000028182616	525935158	/nfs/dbraw/zinc/93/51/58/525935158.db2.gz	VRYCFNBHOQHNDY-CFRMEGHHSA-N	0	0	429.903	6.335	50	30		IKEARN
Cc1ccc(-n2s/c(=N\C(=N\c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1	ZINC000002207948	525938424	/nfs/dbraw/zinc/93/84/24/525938424.db2.gz	MMPMPNYEMKILJC-PXMCFFCXSA-N	0	0	446.579	6.588	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1	ZINC000033517058	525968292	/nfs/dbraw/zinc/96/82/92/525968292.db2.gz	YUUSNIORDCAQLF-UNOMPAQXSA-N	0	0	440.977	6.593	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c(C)c1	ZINC000013145904	525971202	/nfs/dbraw/zinc/97/12/02/525971202.db2.gz	YUUSNIORDCAQLF-XDHOZWIPSA-N	0	0	440.977	6.593	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1C	ZINC000009720661	525971241	/nfs/dbraw/zinc/97/12/41/525971241.db2.gz	NTALXADFGNBOSR-UNOMPAQXSA-N	0	0	440.977	6.593	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1	ZINC000009264619	525972925	/nfs/dbraw/zinc/97/29/25/525972925.db2.gz	PFHVPONELDKSGE-HXNPFYCNSA-N	0	0	427.573	5.865	50	30		IKEARN
Cc1c2occ(-c3ccccc3)c2cc2c(-c3ccccc3)c/c(=N\N=C3CCCCC3)oc12	ZINC000030822722	525996773	/nfs/dbraw/zinc/99/67/73/525996773.db2.gz	UIAKBIWGRRGZSB-VEWQFJOQSA-N	0	0	446.550	8.042	50	30		IKEARN
C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N	ZINC000012907282	526008293	/nfs/dbraw/zinc/00/82/93/526008293.db2.gz	NXAJFVFVBFJKQZ-HNNXBMFYSA-N	0	0	443.557	5.258	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000020606201	526018403	/nfs/dbraw/zinc/01/84/03/526018403.db2.gz	QMGBBSXTZDGPAP-HXUWFJFHSA-N	0	0	430.331	5.823	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984412	526031440	/nfs/dbraw/zinc/03/14/40/526031440.db2.gz	AITLCGFKXBMBHA-UHFFFAOYSA-N	0	0	435.520	5.709	50	30		IKEARN
COc1cccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)c1	ZINC000035843458	526045989	/nfs/dbraw/zinc/04/59/89/526045989.db2.gz	IICFHLNRQFRONS-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1cccc(CO/N=C/c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1	ZINC000022873183	526047323	/nfs/dbraw/zinc/04/73/23/526047323.db2.gz	GGAGLNSAYIEGCE-LUOAPIJWSA-N	0	0	436.817	6.105	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000001185118	526064371	/nfs/dbraw/zinc/06/43/71/526064371.db2.gz	VOAABNTYLFSTQX-SANMLTNESA-N	0	0	440.568	6.225	50	30		IKEARN
CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000016293774	526075303	/nfs/dbraw/zinc/07/53/03/526075303.db2.gz	VUTUFMZWYNJASA-DEOSSOPVSA-N	0	0	446.616	5.960	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000034387833	526089846	/nfs/dbraw/zinc/08/98/46/526089846.db2.gz	AJVBCOIYFUEUHF-KEBDBYFISA-N	0	0	443.906	5.917	50	30		IKEARN
Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Cl)c1Cl	ZINC000009262154	526095001	/nfs/dbraw/zinc/09/50/01/526095001.db2.gz	SXGNOUVBAFXKEW-CVKSISIWSA-N	0	0	428.363	5.988	50	30		IKEARN
Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1C(=O)Nc1cc2ccccc2o1	ZINC000067341129	526098920	/nfs/dbraw/zinc/09/89/20/526098920.db2.gz	YSBNHUCXLUSVAR-DHRITJCHSA-N	0	0	449.304	6.212	50	30		IKEARN
CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000021722935	526125068	/nfs/dbraw/zinc/12/50/68/526125068.db2.gz	RAKVWSBFRPGOKR-XMMPIXPASA-N	0	0	445.544	6.214	50	30		IKEARN
C[C@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1	ZINC000032936596	526196289	/nfs/dbraw/zinc/19/62/89/526196289.db2.gz	GTJFFOHTJCDLHS-MRXNPFEDSA-N	0	0	442.485	5.020	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000020617987	526226799	/nfs/dbraw/zinc/22/67/99/526226799.db2.gz	MJDZEELREFPXNM-LSHDLFTRSA-N	0	0	449.319	5.621	50	30		IKEARN
CSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000036611457	526226838	/nfs/dbraw/zinc/22/68/38/526226838.db2.gz	XJIFKJVVQKMKPO-IFRROFPPSA-N	0	0	431.732	5.323	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000036611477	526226866	/nfs/dbraw/zinc/22/68/66/526226866.db2.gz	QFYFARFYALKYGT-LSHDLFTRSA-N	0	0	449.319	5.621	50	30		IKEARN
Cc1ccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1	ZINC000012954472	526236912	/nfs/dbraw/zinc/23/69/12/526236912.db2.gz	OJNGGVRXAYTXBP-JFLMPSFJSA-N	0	0	446.959	6.680	50	30		IKEARN
Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@@H](c5ccc(F)cc5)C4)cc3)sc2c1	ZINC000008756800	526241892	/nfs/dbraw/zinc/24/18/92/526241892.db2.gz	NIASTRMTIFLBEB-IBGZPJMESA-N	0	0	428.532	6.853	50	30		IKEARN
Cc1ccc2nc(C3=CN(CC(=O)c4ccccc4)c4ccc(C)cc4[C@@H]3C#N)ccc2c1	ZINC000018199869	526245776	/nfs/dbraw/zinc/24/57/76/526245776.db2.gz	UMNXKPDLZPYJDY-DEOSSOPVSA-N	0	0	429.523	6.203	50	30		IKEARN
Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@@H](C)C#N)c1	ZINC000009491212	526257082	/nfs/dbraw/zinc/25/70/82/526257082.db2.gz	VRYWTOXDDNYXSK-AWEZNQCLSA-N	0	0	433.364	5.774	50	30		IKEARN
Cc1nn(Cc2ccc(C)cc2)c(C)c1/C=C/C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000012637425	526287940	/nfs/dbraw/zinc/28/79/40/526287940.db2.gz	GVYNRAFBMAYTBR-WUKNDPDISA-N	0	0	446.554	5.303	50	30		IKEARN
Fc1c(F)c(F)c(C=NNc2cc(-c3ccccc3)nc(-c3ccccc3)n2)c(F)c1F	ZINC000013548633	526292105	/nfs/dbraw/zinc/29/21/05/526292105.db2.gz	SBGTZHOCELNPCL-XKJRVUDJSA-N	0	0	440.375	5.952	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccccc3Cl)cc2)c(F)c1F	ZINC000016449858	526293206	/nfs/dbraw/zinc/29/32/06/526293206.db2.gz	GXVAAOMDWPMTKV-OXUBWTJQSA-N	0	0	426.772	6.061	50	30		IKEARN
Oc1ccc(Cl)cc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000006473793	526347133	/nfs/dbraw/zinc/34/71/33/526347133.db2.gz	ZYKKCZMVMOKYRF-ZVHZXABRSA-N	0	0	431.887	5.164	50	30		IKEARN
Cc1nnc(N=NCc2ccc(C(C)(C)C)cc2)nc1N=NCc1ccc(C(C)(C)C)cc1	ZINC000027988848	526352609	/nfs/dbraw/zinc/35/26/09/526352609.db2.gz	OJNFOSKTWZLIJH-ODBZBXGJSA-N	0	0	443.599	5.667	50	30		IKEARN
O=C(O/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1cccs1	ZINC000012961290	526414693	/nfs/dbraw/zinc/41/46/93/526414693.db2.gz	WLDDHYVMDQYIKT-ZMOGYAJESA-N	0	0	438.961	6.433	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccc(Br)cc2F)[C@@H]1C(=O)C12CC3CC(CC(C3)C1)C2	ZINC000008747783	526430379	/nfs/dbraw/zinc/43/03/79/526430379.db2.gz	SPHGPQZGQGWSKW-QGDJINRTSA-N	0	0	427.317	5.121	50	30		IKEARN
O=C(Oc1ccccc1/C=N/NC(=S)Nc1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000002543763	526446702	/nfs/dbraw/zinc/44/67/02/526446702.db2.gz	BYIUXRHCOXWJGU-ZMOGYAJESA-N	0	0	444.343	5.533	50	30		IKEARN
N#CCCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21)c1ccccc1	ZINC000003294833	526451751	/nfs/dbraw/zinc/45/17/51/526451751.db2.gz	XFMZCADOFRXLOQ-UHFFFAOYSA-N	0	0	442.519	5.475	50	30		IKEARN
N#CCCn1cc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000012548813	526467822	/nfs/dbraw/zinc/46/78/22/526467822.db2.gz	NGAASUCNKCBYIN-UHFFFAOYSA-N	0	0	438.443	5.258	50	30		IKEARN
N#CCSc1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1	ZINC000012540977	526479097	/nfs/dbraw/zinc/47/90/97/526479097.db2.gz	DUYUORAYVVRXKK-UHFFFAOYSA-N	0	0	430.558	5.372	50	30		IKEARN
N#CCc1ccc(NC(=O)c2cc3c(C(F)(F)F)nn(-c4ccccc4)c3s2)cc1	ZINC000020617704	526484036	/nfs/dbraw/zinc/48/40/36/526484036.db2.gz	VTTXHWMWCLRGCP-UHFFFAOYSA-N	0	0	426.423	5.424	50	30		IKEARN
N#C[C@@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl	ZINC000032931744	526498162	/nfs/dbraw/zinc/49/81/62/526498162.db2.gz	YVFUJYZYYWZBDQ-QFIPXVFZSA-N	0	0	429.907	5.375	50	30		IKEARN
N#C[C@H](C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2)C(=S)Nc1ccccc1	ZINC000071415888	526508375	/nfs/dbraw/zinc/50/83/75/526508375.db2.gz	VAQHLYITMJLBCV-HSZRJFAPSA-N	0	0	448.551	5.400	50	30		IKEARN
N#C[C@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F	ZINC000049722794	526510784	/nfs/dbraw/zinc/51/07/84/526510784.db2.gz	HSDUHHRMMLNVIQ-GFCCVEGCSA-N	0	0	449.276	6.342	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1O	ZINC000016426275	526517682	/nfs/dbraw/zinc/51/76/82/526517682.db2.gz	BHNMFUWMAHUHPN-UHFFFAOYSA-N	0	0	429.423	5.075	50	30		IKEARN
N#Cc1c(Cl)nc(N=NCc2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl	ZINC000012376528	526520694	/nfs/dbraw/zinc/52/06/94/526520694.db2.gz	XWLUYGJXDDDKFR-OPEKNORGSA-N	0	0	431.710	5.938	50	30		IKEARN
Cc1noc(C)c1CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1	ZINC000048340774	526528350	/nfs/dbraw/zinc/52/83/50/526528350.db2.gz	VWMSFHJHKAYGGD-UHFFFAOYSA-N	0	0	444.478	5.384	50	30		IKEARN
N#Cc1c(N)nc2c(c1-c1ccc(COc3ccccc3Br)o1)CCCCC2	ZINC000020601947	526528594	/nfs/dbraw/zinc/52/85/94/526528594.db2.gz	ZHQAVASWPBAYSX-UHFFFAOYSA-N	0	0	438.325	5.406	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(F)c(F)c2)nc2c(c1-c1cccs1)CCCC2	ZINC000012369946	526531236	/nfs/dbraw/zinc/53/12/36/526531236.db2.gz	RTGMYCXSMRSKHL-UHFFFAOYSA-N	0	0	426.513	5.814	50	30		IKEARN
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)/C=C/c1ccc(Oc2ccccc2)cc1	ZINC000008762066	526572173	/nfs/dbraw/zinc/57/21/73/526572173.db2.gz	SHZYKXMHXZSLLZ-CXUHLZMHSA-N	0	0	431.944	7.460	50	30		IKEARN
N#Cc1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1	ZINC000012908498	526609743	/nfs/dbraw/zinc/60/97/43/526609743.db2.gz	TUFJILBEFMUICQ-UHFFFAOYSA-N	0	0	448.441	5.107	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)c(Cl)c2)cc1	ZINC000035840233	526632728	/nfs/dbraw/zinc/63/27/28/526632728.db2.gz	RKCMLPNFEPUCFP-UHFFFAOYSA-N	0	0	427.316	5.998	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(C(F)(F)F)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1	ZINC000002732265	526674433	/nfs/dbraw/zinc/67/44/33/526674433.db2.gz	VSJPGDCKSZNWBP-HNNXBMFYSA-N	0	0	439.224	5.299	50	30		IKEARN
N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccco2)nc1	ZINC000012748660	526686584	/nfs/dbraw/zinc/68/65/84/526686584.db2.gz	LHPTUPVMKAOIDX-UHFFFAOYSA-N	0	0	428.304	5.311	50	30		IKEARN
N#Cc1cccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)c1	ZINC000035847444	526712501	/nfs/dbraw/zinc/71/25/01/526712501.db2.gz	BELAOEBKOINLNG-UHFFFAOYSA-N	0	0	443.403	6.786	50	30		IKEARN
N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\C(=O)Nc2ccccc21	ZINC000012468331	526736929	/nfs/dbraw/zinc/73/69/29/526736929.db2.gz	SJSRCOOPRRWHBH-NDENLUEZSA-N	0	0	431.289	5.392	50	30		IKEARN
N#Cc1ccccc1CSCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1	ZINC000012757228	526738591	/nfs/dbraw/zinc/73/85/91/526738591.db2.gz	RGKVPMLJMVKWKK-UXHICEINSA-N	0	0	435.618	5.491	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1	ZINC000001140659	526750756	/nfs/dbraw/zinc/75/07/56/526750756.db2.gz	VLPRORBEWKUXPP-UHFFFAOYSA-N	0	0	449.963	5.452	50	30		IKEARN
N#Cc1cccnc1Sc1nnc(-c2cccnc2)n1-c1ccc(Cl)c(Cl)c1	ZINC000012749577	526755982	/nfs/dbraw/zinc/75/59/82/526755982.db2.gz	UKLCAIORTVWVQP-UHFFFAOYSA-N	0	0	425.304	5.054	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1ccccc1	ZINC000021722000	526827194	/nfs/dbraw/zinc/82/71/94/526827194.db2.gz	BFLMFOCWSSBKTJ-SANMLTNESA-N	0	0	443.572	5.045	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1F	ZINC000021722742	526827677	/nfs/dbraw/zinc/82/76/77/526827677.db2.gz	XYKHUYOPELAIKK-VWLOTQADSA-N	0	0	447.535	5.506	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NCc1cccs1	ZINC000021722012	526827689	/nfs/dbraw/zinc/82/76/89/526827689.db2.gz	OYIXWMWGAKURDO-DEOSSOPVSA-N	0	0	449.601	5.106	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1cccc(F)c1	ZINC000021722747	526827909	/nfs/dbraw/zinc/82/79/09/526827909.db2.gz	VPGWWVZGGHPBTM-VWLOTQADSA-N	0	0	447.535	5.506	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C(/c1ccc(F)cc1)C1CC1	ZINC000012369024	526842112	/nfs/dbraw/zinc/84/21/12/526842112.db2.gz	CLHDWZZNMINJLI-NCELDCMTSA-N	0	0	433.266	6.067	50	30		IKEARN
Cc1onc(-c2c(F)cccc2Cl)c1C(=N)NOC(=O)c1ccc(C(C)(C)C)cc1	ZINC000008648825	526842141	/nfs/dbraw/zinc/84/21/41/526842141.db2.gz	YHMBFYRSMPWKEN-UHFFFAOYSA-N	0	0	429.879	5.217	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1ccccc1[N+](=O)[O-]	ZINC000001042698	526842664	/nfs/dbraw/zinc/84/26/64/526842664.db2.gz	MNVYJPJCEBGRTB-ZVBGSRNCSA-N	0	0	435.223	5.448	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1C=NNc1c(Cl)cc(Cl)cc1Cl	ZINC000012368105	526842759	/nfs/dbraw/zinc/84/27/59/526842759.db2.gz	QOLQWIWTIXAYTD-HCGXMYGOSA-N	0	0	449.552	7.363	50	30		IKEARN
Cc1onc(-c2ccccc2)c1-c1csc(N=NCc2c(Cl)cccc2Cl)n1	ZINC000012369806	526843813	/nfs/dbraw/zinc/84/38/13/526843813.db2.gz	OUGJWGOGJDMGPE-AUEPDCJTSA-N	0	0	429.332	6.526	50	30		IKEARN
Clc1c(Cl)c(Cl)c(NC(=Nc2ccccc2)c2ccccc2)c(Cl)c1Cl	ZINC000012563664	526924427	/nfs/dbraw/zinc/92/44/27/526924427.db2.gz	STKYYUQQNRKMTG-UHFFFAOYSA-N	0	0	444.576	8.144	50	30		IKEARN
Clc1ccc(CN=Nc2nc(-c3cc(-c4ccc(Cl)cc4Cl)no3)cs2)cc1	ZINC000012369799	526939360	/nfs/dbraw/zinc/93/93/60/526939360.db2.gz	YIHVOZSSWRKFOR-NUGSKGIGSA-N	0	0	449.750	6.871	50	30		IKEARN
Clc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1	ZINC000004577703	526939908	/nfs/dbraw/zinc/93/99/08/526939908.db2.gz	XBYSJHGVQIWNPZ-JJFYIABZSA-N	0	0	427.689	5.752	50	30		IKEARN
Clc1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1	ZINC000013476602	526939976	/nfs/dbraw/zinc/93/99/76/526939976.db2.gz	XBYSJHGVQIWNPZ-SSDVNMTOSA-N	0	0	427.689	5.752	50	30		IKEARN
O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C\c1ccc(F)c(F)c1	ZINC000012564521	526939981	/nfs/dbraw/zinc/93/99/81/526939981.db2.gz	PDYHCWPXGVXJJG-CLVAPQHMSA-N	0	0	437.436	5.795	50	30		IKEARN
O=C1/C(=C/c2ccccc2Cl)CN(Cc2ccccc2)C/C1=C\c1ccccc1Cl	ZINC000025781993	526942724	/nfs/dbraw/zinc/94/27/24/526942724.db2.gz	MOWSEIJAODKLRS-HOFJZWJUSA-N	0	0	434.366	6.545	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)s2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000008722233	526946490	/nfs/dbraw/zinc/94/64/90/526946490.db2.gz	GDVKCAUXPONIGI-BRQLWOPXSA-N	0	0	445.363	5.908	50	30		IKEARN
O=C1C(=C2SC(c3ccccc3)=C(c3ccccc3)S2)CCC/C1=C\c1ccccc1	ZINC000051329787	526949264	/nfs/dbraw/zinc/94/92/64/526949264.db2.gz	JXZLOGWPZAUTDI-FCDQGJHFSA-N	0	0	438.617	8.041	50	30		IKEARN
Clc1ccc(CO/N=C2\CC3(c4ccccc42)C2CC4CC(C2)CC3C4)c(Cl)c1	ZINC000012338566	526950508	/nfs/dbraw/zinc/95/05/08/526950508.db2.gz	HLOCRCWEKWUMHD-ZZIIXHQDSA-N	0	0	426.387	7.012	50	30		IKEARN
Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)cc1Cl	ZINC000008855380	526950516	/nfs/dbraw/zinc/95/05/16/526950516.db2.gz	WLWXWUHKOMNEJP-FOKLQQMPSA-N	0	0	448.400	6.546	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3ccc(F)cc3)C12	ZINC000009856565	526966163	/nfs/dbraw/zinc/96/61/63/526966163.db2.gz	JSRJIODJVUDTAP-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2	ZINC000021722852	526969413	/nfs/dbraw/zinc/96/94/13/526969413.db2.gz	JAXVMSWGKWXILJ-QHCPKHFHSA-N	0	0	436.558	5.117	50	30		IKEARN
Clc1ccccc1CO/N=C1/CCCc2c1cc(-c1ccccc1)n2-c1ccccc1	ZINC000012960567	526989123	/nfs/dbraw/zinc/98/91/23/526989123.db2.gz	CQGWLYUMAVBQAA-GNVQSUKOSA-N	0	0	426.947	7.055	50	30		IKEARN
O=C1CS/C(=N\N=C\c2ccc(Br)cc2)N1Cc1cccc2ccccc21	ZINC000013564400	527015816	/nfs/dbraw/zinc/01/58/16/527015816.db2.gz	HUBUMFQFTVPSRZ-VCASSKIBSA-N	0	0	438.350	5.068	50	30		IKEARN
Cc1nc(SCC(=O)Nc2ccccc2Cl)c(C#N)c(C)c1/N=N/c1ccccc1	ZINC000012369921	527019027	/nfs/dbraw/zinc/01/90/27/527019027.db2.gz	WUGYNPGZBWKYSY-BYYHNAKLSA-N	0	0	435.940	6.370	50	30		IKEARN
Cc1nc(SCc2ccccc2)c(C#N)c(C)c1/N=N/c1cc(Cl)cc(Cl)c1	ZINC000012369920	527021941	/nfs/dbraw/zinc/02/19/41/527021941.db2.gz	KEAOQKKFUJITGA-CYYJNZCTSA-N	0	0	427.360	7.585	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2	ZINC000000709506	527023785	/nfs/dbraw/zinc/02/37/85/527023785.db2.gz	ASSBIDWZDQGTAA-SSOJOUAXSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1	ZINC000017970045	527030472	/nfs/dbraw/zinc/03/04/72/527030472.db2.gz	CBLHHUBFBGJLOQ-FQEVSTJZSA-N	0	0	435.936	5.505	50	30		IKEARN
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000016447542	527031852	/nfs/dbraw/zinc/03/18/52/527031852.db2.gz	JEOYTJHJEPVVGE-WGDIFIGCSA-N	0	0	428.463	5.534	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12	ZINC000000720845	527032465	/nfs/dbraw/zinc/03/24/65/527032465.db2.gz	HDMIDZMGSQUFQA-XBBWARJSSA-N	0	0	446.506	6.031	50	30		IKEARN
O=C1N(c2ccc(C(F)(F)F)cc2)/C(=N/c2ccc(C(F)(F)F)cc2)SC12CC2	ZINC000012368060	527039083	/nfs/dbraw/zinc/03/90/83/527039083.db2.gz	FZDIGQGSMQACPZ-QQXSKIMKSA-N	0	0	430.373	6.024	50	30		IKEARN
O=C(CSc1cccc2cccc(Cl)c21)N1CCS/C1=N\Cc1ccccc1	ZINC000012533459	527040680	/nfs/dbraw/zinc/04/06/80/527040680.db2.gz	BSIQLIKULRYPPQ-GYHWCHFESA-N	0	0	426.994	5.717	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000018254827	527041892	/nfs/dbraw/zinc/04/18/92/527041892.db2.gz	ZMYVRDCEXAIISX-VCHYOVAHSA-N	0	0	433.291	6.284	50	30		IKEARN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCC2)cc1	ZINC000012602255	527042476	/nfs/dbraw/zinc/04/24/76/527042476.db2.gz	LGCPWEPBLZUWIX-QGOAFFKASA-N	0	0	432.376	5.875	50	30		IKEARN
O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000013548780	527042585	/nfs/dbraw/zinc/04/25/85/527042585.db2.gz	HNZGPYSFIOWBMD-WQRHYEAKSA-N	0	0	448.853	6.510	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C/c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O	ZINC000009310525	527042877	/nfs/dbraw/zinc/04/28/77/527042877.db2.gz	OMZMBFWEZGVZJM-FSJBWODESA-N	0	0	430.573	5.752	50	30		IKEARN
O=C1Nc2ccccc2C12C/C(=C\c1cccc(F)c1)C(=O)/C(=C/c1cccc(F)c1)C2	ZINC000040146069	527090127	/nfs/dbraw/zinc/09/01/27/527090127.db2.gz	CSFOVIUJLCWDPI-AYKLPDECSA-N	0	0	427.450	5.685	50	30		IKEARN
O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1	ZINC000002256880	527099550	/nfs/dbraw/zinc/09/95/50/527099550.db2.gz	OAMPGTZPOVSCHJ-LJQANCHMSA-N	0	0	429.701	6.180	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccn(-c2ccc(F)cc2)n1	ZINC000048353548	527105850	/nfs/dbraw/zinc/10/58/50/527105850.db2.gz	PHANIJZZJIPQKP-UHFFFAOYSA-N	0	0	447.310	5.224	50	30		IKEARN
O=C(Nc1cc(Cl)cc(Cl)c1)O/N=C1/c2ccccc2N(c2ccccc2)C1=O	ZINC000012338659	527110122	/nfs/dbraw/zinc/11/01/22/527110122.db2.gz	MHMYVXNUSPQEHZ-PLRJNAJWSA-N	0	0	426.259	5.625	50	30		IKEARN
O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccccc1Br	ZINC000013655548	527121827	/nfs/dbraw/zinc/12/18/27/527121827.db2.gz	BVTITMCTPLJMCT-VJWOQVONSA-N	0	0	433.301	6.158	50	30		IKEARN
O=C1c2ccccc2C(Nc2ccc(Br)cc2)=C1c1ccc(C(F)(F)F)cc1	ZINC000101079494	527131597	/nfs/dbraw/zinc/13/15/97/527131597.db2.gz	DWZJQFWYHFBZNX-UHFFFAOYSA-N	0	0	444.250	6.645	50	30		IKEARN
O=C1c2ccccc2S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000013609096	527135297	/nfs/dbraw/zinc/13/52/97/527135297.db2.gz	WYCSGKOENFHISE-VCHYOVAHSA-N	0	0	428.263	5.947	50	30		IKEARN
O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccc(F)cc1	ZINC000020575733	527138642	/nfs/dbraw/zinc/13/86/42/527138642.db2.gz	FGHICAHLYXNBAT-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(N(C)C)cc1	ZINC000039563645	527140374	/nfs/dbraw/zinc/14/03/74/527140374.db2.gz	CCHQAHAGXCKWPP-LFIBNONCSA-N	0	0	426.947	6.826	50	30		IKEARN
Cn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21	ZINC000009422640	527144853	/nfs/dbraw/zinc/14/48/53/527144853.db2.gz	LCLAOJOKGFXBDV-BHGWPJFGSA-N	0	0	433.866	6.166	50	30		IKEARN
Cn1cc(/C=C2\C[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@]3(C)C2=O)c(-c2ccccc2)n1	ZINC000390834983	527144951	/nfs/dbraw/zinc/14/49/51/527144951.db2.gz	ZWJGCLYWSNNVLL-JTTBSPGMSA-N	0	0	438.571	5.911	50	30		IKEARN
O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1	ZINC000001015775	527146291	/nfs/dbraw/zinc/14/62/91/527146291.db2.gz	ZSWLOYHPSHLOFC-UOODYVSWSA-N	0	0	435.936	5.505	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000009264213	527178944	/nfs/dbraw/zinc/17/89/44/527178944.db2.gz	GIXZSSHMMHVCAO-QHCPKHFHSA-N	0	0	433.895	6.145	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000012958020	527180638	/nfs/dbraw/zinc/18/06/38/527180638.db2.gz	JSRASXQLAWASLT-HDHZYAPQSA-N	0	0	432.820	5.419	50	30		IKEARN
O=C(Cc1cccs1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000012652132	527301622	/nfs/dbraw/zinc/30/16/22/527301622.db2.gz	WRUZWXKDTPBPFF-RUZDIDTESA-N	0	0	448.975	6.151	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2)ccc1Sc1ccc(Cl)cc1	ZINC000003028691	527326199	/nfs/dbraw/zinc/32/61/99/527326199.db2.gz	CICSNIZXQQMKOT-FSJBWODESA-N	0	0	433.316	6.604	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2csc(N=NC(Cc3ccccc3)Cc3ccccc3)n2)cc1	ZINC000045068174	527343243	/nfs/dbraw/zinc/34/32/43/527343243.db2.gz	JLTMRBGXWFMOHG-UHFFFAOYSA-N	0	0	428.517	5.972	50	30		IKEARN
Nc1c2cc3c(nc2sc1C(=O)Nc1ccc(C(=O)/C=C/c2cccs2)cc1)CCC3	ZINC000013574810	527437589	/nfs/dbraw/zinc/43/75/89/527437589.db2.gz	IEYJIIYRBMYVIE-ZHACJKMWSA-N	0	0	445.569	5.577	50	30		IKEARN
O=C(COc1ccc(Cl)cc1)Nc1c(=O)oc2ccccc2c1NC1CCCCC1	ZINC000021147888	527499239	/nfs/dbraw/zinc/49/92/39/527499239.db2.gz	SXBMPWFGWPJANV-UHFFFAOYSA-N	0	0	426.900	5.858	50	30		IKEARN
Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000018196675	527522654	/nfs/dbraw/zinc/52/26/54/527522654.db2.gz	MYOJHVPITZDGNY-DEOSSOPVSA-N	0	0	441.531	5.418	50	30		IKEARN
OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095671128	527533458	/nfs/dbraw/zinc/53/34/58/527533458.db2.gz	LWCLGUDCFDTQBF-UHFFFAOYSA-N	0	0	428.135	5.133	50	30		IKEARN
Cn1nc(-c2ccccc2)c([C@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1	ZINC000003049330	527538311	/nfs/dbraw/zinc/53/83/11/527538311.db2.gz	RTCPWVSNJMWLNZ-JOCHJYFZSA-N	0	0	430.960	5.977	50	30		IKEARN
O=C(NCC#Cc1cccc(C(F)(F)F)c1)c1ccc(SCc2cscn2)cc1	ZINC000012764377	527546478	/nfs/dbraw/zinc/54/64/78/527546478.db2.gz	PQJFSECWAAAVQP-UHFFFAOYSA-N	0	0	432.492	5.236	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(C)cc(C)cc1C)C1C(=O)c3ccccc3C1=N2	ZINC000013121864	527567156	/nfs/dbraw/zinc/56/71/56/527567156.db2.gz	RJYBIBFTTKYBOH-XMMPIXPASA-N	0	0	432.527	5.666	50	30		IKEARN
Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012589274	527571343	/nfs/dbraw/zinc/57/13/43/527571343.db2.gz	GIVACYCDGIYMJO-AOMKIAJQSA-N	0	0	444.604	6.299	50	30		IKEARN
O/N=C(/CCC/C(=N/O)c1ccc(Br)cc1)c1ccc(Br)cc1	ZINC000013635703	527586676	/nfs/dbraw/zinc/58/66/76/527586676.db2.gz	DVJGYTAHCFTURG-ISPAOBMBSA-N	0	0	440.135	5.439	50	30		IKEARN
O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1n[nH]c(Cc2cccc(F)c2)n1	ZINC000095464961	527587120	/nfs/dbraw/zinc/58/71/20/527587120.db2.gz	GARPLPUDAJJVDS-UHFFFAOYSA-N	0	0	427.892	5.142	50	30		IKEARN
O=C(/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1	ZINC000013591048	527591266	/nfs/dbraw/zinc/59/12/66/527591266.db2.gz	QDMZUWVXMJWTDD-LFIBNONCSA-N	0	0	439.216	6.651	50	30		IKEARN
O=C(/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000012523666	527591551	/nfs/dbraw/zinc/59/15/51/527591551.db2.gz	SQKCLJXHIMONIT-LGMDPLHJSA-N	0	0	435.386	5.496	50	30		IKEARN
O=C(/C(=N/Nc1ccc(Cl)cc1)c1nc2ccccc2oc1=O)c1ccc(Cl)cc1	ZINC000013757949	527592253	/nfs/dbraw/zinc/59/22/53/527592253.db2.gz	JFJBJLIYLSQRBE-ZXVVBBHZSA-N	0	0	438.270	5.194	50	30		IKEARN
O=C(C=C(Nc1ccccc1)SCc1c(Cl)cccc1Cl)c1ccc(F)cc1	ZINC000008648673	527592517	/nfs/dbraw/zinc/59/25/17/527592517.db2.gz	ROWWIYGIQINJTG-LPYMAVHISA-N	0	0	432.347	7.202	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccc(F)cc2)o1	ZINC000012284806	527602876	/nfs/dbraw/zinc/60/28/76/527602876.db2.gz	VVMMJVNRTLPNFU-PKNBQFBNSA-N	0	0	437.264	7.004	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc2noc(-c3ccccc3)c2c1	ZINC000036636062	527604201	/nfs/dbraw/zinc/60/42/01/527604201.db2.gz	DHZZAXYIVJWVSC-SDNWHVSQSA-N	0	0	436.423	6.559	50	30		IKEARN
O=C(/C=C/c1ccc(Br)cc1)c1ccc(Nc2nc3ccccc3s2)cc1	ZINC000012604653	527606200	/nfs/dbraw/zinc/60/62/00/527606200.db2.gz	DMVLRCOHWFLPRP-VGOFMYFVSA-N	0	0	435.346	6.699	50	30		IKEARN
O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	ZINC000038198377	527617828	/nfs/dbraw/zinc/61/78/28/527617828.db2.gz	KISDMIYGCXSOEN-OVCLIPMQSA-N	0	0	443.318	5.113	50	30		IKEARN
O=C(/C=C/c1ccc2c(c1)OCCO2)c1cc(Cl)cc(Cl)c1OCc1ccccc1	ZINC000013512014	527621283	/nfs/dbraw/zinc/62/12/83/527621283.db2.gz	KBRDSYJNSDGBBE-SOFGYWHQSA-N	0	0	441.310	6.240	50	30		IKEARN
O=C(/C=C/c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000012555443	527622009	/nfs/dbraw/zinc/62/20/09/527622009.db2.gz	FXEHMRFQWCIMSC-UKTHLTGXSA-N	0	0	436.898	6.293	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1cccc(Cl)c1C	ZINC000032972344	527629640	/nfs/dbraw/zinc/62/96/40/527629640.db2.gz	SHBRHVFUERZYCT-UHFFFAOYSA-N	0	0	444.366	5.050	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccc(F)cc1	ZINC000012564694	527646237	/nfs/dbraw/zinc/64/62/37/527646237.db2.gz	AENRVMIGPUKJTE-SDNWHVSQSA-N	0	0	447.307	6.337	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccc2c(c1)OCCO2	ZINC000013129538	527646426	/nfs/dbraw/zinc/64/64/26/527646426.db2.gz	RLLWBRBNESUGLF-ZRDIBKRKSA-N	0	0	448.478	5.953	50	30		IKEARN
O=C(/C=C\c1ccc(Cl)c(Cl)c1)OC/C(=N/c1ccccc1)Nc1ccccc1	ZINC000033481625	527654897	/nfs/dbraw/zinc/65/48/97/527654897.db2.gz	SQQTYZPTOSEOCV-OWBHPGMISA-N	0	0	425.315	6.392	50	30		IKEARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1	ZINC000015836616	527659431	/nfs/dbraw/zinc/65/94/31/527659431.db2.gz	BBKYVZZVKUFMFO-RAXLEYEMSA-N	0	0	435.346	6.259	50	30		IKEARN
FC(F)(F)c1ccccc1NN=Cc1c(Br)sc2ccc(Cl)cc12	ZINC000012367559	527687272	/nfs/dbraw/zinc/68/72/72/527687272.db2.gz	JZHDMDYXIVMXRY-GZIVZEMBSA-N	0	0	433.680	6.782	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000000626568	555512923	/nfs/dbraw/zinc/51/29/23/555512923.db2.gz	VSLOTBYHIRQVRY-XMMPIXPASA-N	0	0	440.474	5.128	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1	ZINC000000629422	555514068	/nfs/dbraw/zinc/51/40/68/555514068.db2.gz	LNGUJIJRGOTNDZ-HSZRJFAPSA-N	0	0	439.939	5.767	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2cccc(Cl)c2)o1	ZINC000000629456	555514078	/nfs/dbraw/zinc/51/40/78/555514078.db2.gz	MIPQXBIRHIEEEJ-QFIPXVFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000000630717	555514561	/nfs/dbraw/zinc/51/45/61/555514561.db2.gz	LYLCHAAMYDNCQX-WTYVLRPYSA-N	0	0	439.559	5.741	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1	ZINC000000630720	555514625	/nfs/dbraw/zinc/51/46/25/555514625.db2.gz	HEGVWABNIAPBMT-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000631014	555514826	/nfs/dbraw/zinc/51/48/26/555514826.db2.gz	VFLLVJXBOMJHSF-RUZDIDTESA-N	0	0	434.536	5.459	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2	ZINC000000631006	555514888	/nfs/dbraw/zinc/51/48/88/555514888.db2.gz	GVFVTHRQZMBLLI-QMTYFTJSSA-N	0	0	444.918	6.048	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000000649742	555522460	/nfs/dbraw/zinc/52/24/60/555522460.db2.gz	CUAQGFKCHYSLKC-QFIPXVFZSA-N	0	0	439.353	5.612	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000654756	555524406	/nfs/dbraw/zinc/52/44/06/555524406.db2.gz	ZFLJUPDRWUJWEP-DEOSSOPVSA-N	0	0	437.495	5.007	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1cccc(Br)c1	ZINC000000663063	555527430	/nfs/dbraw/zinc/52/74/30/555527430.db2.gz	NTAHEAFMDPYKQC-TZIWHRDSSA-N	0	0	434.333	5.491	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC	ZINC000000669641	555530148	/nfs/dbraw/zinc/53/01/48/555530148.db2.gz	FDUYHIUOGCDUBX-XMMPIXPASA-N	0	0	434.536	5.257	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC	ZINC000000669643	555530233	/nfs/dbraw/zinc/53/02/33/555530233.db2.gz	FDUYHIUOGCDUBX-DEOSSOPVSA-N	0	0	434.536	5.257	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000000669918	555530396	/nfs/dbraw/zinc/53/03/96/555530396.db2.gz	USBCNMJGJPYFFK-VWLOTQADSA-N	0	0	439.471	5.412	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2	ZINC000000672256	555532019	/nfs/dbraw/zinc/53/20/19/555532019.db2.gz	KUVCTWBIVUECOM-WHLCRQNOSA-N	0	0	440.543	6.073	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC	ZINC000000681096	555537465	/nfs/dbraw/zinc/53/74/65/555537465.db2.gz	MPKRNEJXJDFNLB-VWLOTQADSA-N	0	0	447.962	6.820	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000681878	555537749	/nfs/dbraw/zinc/53/77/49/555537749.db2.gz	UNQYSMUMZWEZGU-DWXRJYCRSA-N	0	0	441.487	5.583	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2	ZINC000000681768	555537768	/nfs/dbraw/zinc/53/77/68/555537768.db2.gz	JRAKLIMXZQJKME-RUZDIDTESA-N	0	0	439.471	5.412	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000000682681	555538186	/nfs/dbraw/zinc/53/81/86/555538186.db2.gz	ICDDYVJYXMNNCS-OAQYLSRUSA-N	0	0	444.453	5.401	50	30		IKEARN
CC(C)Oc1ccccc1[C@H]1NC(=S)NC(c2ccccc2)=C1C(=O)c1ccccc1	ZINC000000684837	555539561	/nfs/dbraw/zinc/53/95/61/555539561.db2.gz	NIKVNJYTYCJLII-XMMPIXPASA-N	0	0	428.557	5.287	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000707155	555545408	/nfs/dbraw/zinc/54/54/08/555545408.db2.gz	RYIPGNDNIOHWRE-DEOSSOPVSA-N	0	0	433.935	6.517	50	30		IKEARN
Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@]2(O)CC(C)(C)C[C@](C)(C3)C2)cc1	ZINC000000707817	555545417	/nfs/dbraw/zinc/54/54/17/555545417.db2.gz	QAQUQGOMHJOOAE-AXHLRHTKSA-N	0	0	444.641	5.097	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	ZINC000000708741	555545784	/nfs/dbraw/zinc/54/57/84/555545784.db2.gz	UOVHWDQSTBWHMY-VWLOTQADSA-N	0	0	443.543	6.175	50	30		IKEARN
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000000708825	555545804	/nfs/dbraw/zinc/54/58/04/555545804.db2.gz	VEMXZDDCIZHGKV-GJZUVCINSA-N	0	0	443.543	5.044	50	30	biogenic	IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC	ZINC000000709636	555546516	/nfs/dbraw/zinc/54/65/16/555546516.db2.gz	YSPATPBMNCXEOI-HFJWLAOPSA-N	0	0	427.504	5.078	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000000709669	555546821	/nfs/dbraw/zinc/54/68/21/555546821.db2.gz	PNBMOJTYKBKKSI-UZTOHYMASA-N	0	0	426.516	5.770	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)cc1	ZINC000000711650	555547456	/nfs/dbraw/zinc/54/74/56/555547456.db2.gz	CHEYKAZUNKETNI-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000712726	555547713	/nfs/dbraw/zinc/54/77/13/555547713.db2.gz	CXBANNODYSUWHE-HHHXNRCGSA-N	0	0	441.527	6.083	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc2c(cc1Cl)OCO2	ZINC000000714194	555548045	/nfs/dbraw/zinc/54/80/45/555548045.db2.gz	UNQNZVVOJZRGFT-UHFFFAOYSA-N	0	0	428.912	5.469	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1	ZINC000000717035	555548816	/nfs/dbraw/zinc/54/88/16/555548816.db2.gz	RFBYMWAFDRFDDM-VLIAUNLRSA-N	0	0	447.478	5.302	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000000717034	555548898	/nfs/dbraw/zinc/54/88/98/555548898.db2.gz	RFBYMWAFDRFDDM-JLTOFOAXSA-N	0	0	447.478	5.302	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000717671	555549138	/nfs/dbraw/zinc/54/91/38/555549138.db2.gz	NVSMXBWCDAZHLR-QMHKHESXSA-N	0	0	439.552	5.448	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1	ZINC000000720526	555549716	/nfs/dbraw/zinc/54/97/16/555549716.db2.gz	GFHWUBIEAVZQDB-MQNRADLISA-N	0	0	432.545	5.745	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC	ZINC000000720132	555549725	/nfs/dbraw/zinc/54/97/25/555549725.db2.gz	SUQRXGNRUNKAAR-IZHWHUGBSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3cccc(C)c3)cc2)c1O	ZINC000000725317	555551360	/nfs/dbraw/zinc/55/13/60/555551360.db2.gz	XKHOMWKYBJAXMY-ZMOGYAJESA-N	0	0	439.309	5.475	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1	ZINC000000726636	555551576	/nfs/dbraw/zinc/55/15/76/555551576.db2.gz	PHDZSSBNSAVARJ-XMMPIXPASA-N	0	0	437.580	5.564	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O	ZINC000000729453	555552627	/nfs/dbraw/zinc/55/26/27/555552627.db2.gz	GNKHAOYTTTZSRO-SHACYNPGSA-N	0	0	448.544	5.450	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	ZINC000000781130	555554992	/nfs/dbraw/zinc/55/49/92/555554992.db2.gz	COCBLBSQRYDPIB-DNOBIOAJSA-N	0	0	426.516	5.683	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781194	555555185	/nfs/dbraw/zinc/55/51/85/555555185.db2.gz	ITXHUVWRPATFIF-IVZQSRNASA-N	0	0	425.525	5.200	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O	ZINC000000795660	555558064	/nfs/dbraw/zinc/55/80/64/555558064.db2.gz	TUOCHJKUFIMDRA-AREMUKBSSA-N	0	0	440.499	5.218	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(N2CCOCC2)cc1	ZINC000000809296	555560197	/nfs/dbraw/zinc/56/01/97/555560197.db2.gz	QZRZMKCAVUGUHH-MUUNZHRXSA-N	0	0	438.571	5.986	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC	ZINC000000812847	555560804	/nfs/dbraw/zinc/56/08/04/555560804.db2.gz	WDIGNQZYAIJBOV-MYUZEXMDSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1	ZINC000000812869	555561223	/nfs/dbraw/zinc/56/12/23/555561223.db2.gz	QSTWRMPTFOQGTR-QUGAMOGWSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)c(F)c2)cc1	ZINC000000812868	555561226	/nfs/dbraw/zinc/56/12/26/555561226.db2.gz	QSTWRMPTFOQGTR-QLXKLKPCSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)ccc1O	ZINC000000815829	555562063	/nfs/dbraw/zinc/56/20/63/555562063.db2.gz	MMOUQZPPZBBYDD-WINIVTDRSA-N	0	0	426.516	5.689	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC	ZINC000000815788	555562091	/nfs/dbraw/zinc/56/20/91/555562091.db2.gz	NOXGFUIHZRXLNU-WINIVTDRSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1OC	ZINC000000815911	555562565	/nfs/dbraw/zinc/56/25/65/555562565.db2.gz	AVDNCSPUPQTZCG-WTYVLRPYSA-N	0	0	440.543	5.992	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000822767	555564213	/nfs/dbraw/zinc/56/42/13/555564213.db2.gz	URHCQHNCKYUNEI-NTKDMRAZSA-N	0	0	435.951	5.653	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000000832974	555566605	/nfs/dbraw/zinc/56/66/05/555566605.db2.gz	CERUAOPVNNYCQJ-VWLOTQADSA-N	0	0	428.488	6.066	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000000844132	555568708	/nfs/dbraw/zinc/56/87/08/555568708.db2.gz	SJNPZJQFLYAIKK-UZUQRXQVSA-N	0	0	439.914	5.404	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc2c(cc1Cl)OCO2	ZINC000000851457	555570448	/nfs/dbraw/zinc/57/04/48/555570448.db2.gz	MZHUNDCNEGIOGO-RUZDIDTESA-N	0	0	431.919	6.531	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000000853745	555570646	/nfs/dbraw/zinc/57/06/46/555570646.db2.gz	WYHRPDDRWYVJSZ-QFQXNSOFSA-N	0	0	445.559	5.399	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1	ZINC000000856555	555571393	/nfs/dbraw/zinc/57/13/93/555571393.db2.gz	LZWMCIHUFKFIJD-PPHZAIPVSA-N	0	0	442.584	6.397	50	30		IKEARN
COc1ccc(Br)cc1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2	ZINC000000861341	555572318	/nfs/dbraw/zinc/57/23/18/555572318.db2.gz	ZKGXJKIIAPUVFS-NRFANRHFSA-N	0	0	427.342	5.680	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000000861124	555572395	/nfs/dbraw/zinc/57/23/95/555572395.db2.gz	FLWSURSIFHMWID-QUGAMOGWSA-N	0	0	441.487	5.583	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000861070	555572427	/nfs/dbraw/zinc/57/24/27/555572427.db2.gz	YROSDODVBIPNCI-IBVKSMDESA-N	0	0	445.534	5.673	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(C)c4)nc3c2)c1O	ZINC000000864765	555573312	/nfs/dbraw/zinc/57/33/12/555573312.db2.gz	TWHKLDDIONUDGJ-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1	ZINC000000872437	555575717	/nfs/dbraw/zinc/57/57/17/555575717.db2.gz	IGNKQYZXOGECOQ-WINIVTDRSA-N	0	0	426.516	5.899	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1	ZINC000000883126	555578066	/nfs/dbraw/zinc/57/80/66/555578066.db2.gz	DVDPCBUPISECOT-QMTYFTJSSA-N	0	0	432.470	5.953	50	30		IKEARN
CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1	ZINC000000883352	555578381	/nfs/dbraw/zinc/57/83/81/555578381.db2.gz	PZWAYNKZLXUSCB-WGDIFIGCSA-N	0	0	430.573	6.299	50	30		IKEARN
O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)ON=C1CCCCC1	ZINC000000890913	555579815	/nfs/dbraw/zinc/57/98/15/555579815.db2.gz	CIRQLYWXQJXZHO-UHFFFAOYSA-N	0	0	427.423	5.257	50	30		IKEARN
CC1(C)[C@H](C(=O)O[C@@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl	ZINC000000900663	555581136	/nfs/dbraw/zinc/58/11/36/555581136.db2.gz	QQODLKZGRKWIFG-BPAFIMBUSA-N	0	0	434.294	6.317	50	30	in-man	IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1	ZINC000000909356	555582202	/nfs/dbraw/zinc/58/22/02/555582202.db2.gz	XEWNTSPCWZVDPT-OAQYLSRUSA-N	0	0	433.470	5.549	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(F)cc1	ZINC000000993759	555597659	/nfs/dbraw/zinc/59/76/59/555597659.db2.gz	LMMGMZUBXLIXJQ-SANMLTNESA-N	0	0	440.518	6.283	50	30		IKEARN
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)Cc2ccccc2)o1	ZINC000000994427	555598043	/nfs/dbraw/zinc/59/80/43/555598043.db2.gz	NVDLQMQDNXREAN-MHZLTWQESA-N	0	0	440.543	5.974	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	ZINC000001009966	555601670	/nfs/dbraw/zinc/60/16/70/555601670.db2.gz	CPLNGBNICXUHSF-NRFANRHFSA-N	0	0	449.963	5.556	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C	ZINC000001015428	555602581	/nfs/dbraw/zinc/60/25/81/555602581.db2.gz	MPHGYVPESXJXRT-QPUMKRSLSA-N	0	0	440.366	5.781	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001049135	555612433	/nfs/dbraw/zinc/61/24/33/555612433.db2.gz	VVECEIQGOJKZDR-LJQANCHMSA-N	0	0	440.286	6.118	50	30		IKEARN
COc1cc(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c([N+](=O)[O-])cc1OC	ZINC000001058402	555615412	/nfs/dbraw/zinc/61/54/12/555615412.db2.gz	HLFBZNAVJDCLCR-ZMOGYAJESA-N	0	0	433.489	5.948	50	30		IKEARN
CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1	ZINC000001066563	555618801	/nfs/dbraw/zinc/61/88/01/555618801.db2.gz	TYMIGKASUDASBX-WINIVTDRSA-N	0	0	425.532	5.848	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccccc1	ZINC000001069477	555620207	/nfs/dbraw/zinc/62/02/07/555620207.db2.gz	TYTYIQVENKAGRT-JOCHJYFZSA-N	0	0	444.332	5.971	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC	ZINC000001097761	555628127	/nfs/dbraw/zinc/62/81/27/555628127.db2.gz	ONWRRUVUXMKAKW-GKVSMKOHSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107159	555629612	/nfs/dbraw/zinc/62/96/12/555629612.db2.gz	RFRLKHBOFUCJLI-NSYGIPOTSA-N	0	0	445.906	6.228	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001120518	555637249	/nfs/dbraw/zinc/63/72/49/555637249.db2.gz	COVPLLUFWZDQIK-GGAORHGYSA-N	0	0	433.548	5.050	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1C(F)(F)F	ZINC000001127595	555641953	/nfs/dbraw/zinc/64/19/53/555641953.db2.gz	ALEVSAGTMVIFJA-ZUOKHONESA-N	0	0	447.478	5.302	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1	ZINC000001129561	555643627	/nfs/dbraw/zinc/64/36/27/555643627.db2.gz	DGPWEHMZLRGBKU-OAQYLSRUSA-N	0	0	433.847	5.458	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3Cl)nc1N2	ZINC000001129490	555643643	/nfs/dbraw/zinc/64/36/43/555643643.db2.gz	ZZLWRRCVJBKGIH-LJQANCHMSA-N	0	0	449.963	5.692	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl	ZINC000001130022	555643949	/nfs/dbraw/zinc/64/39/49/555643949.db2.gz	CCPSBZYGMFJUEL-LFVRLGFBSA-N	0	0	443.877	5.153	50	30		IKEARN
O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000001170839	555666496	/nfs/dbraw/zinc/66/64/96/555666496.db2.gz	BVOIPXPHYXLSCY-AKJBCIBTSA-N	0	0	444.918	6.048	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000001174797	555669210	/nfs/dbraw/zinc/66/92/10/555669210.db2.gz	TUNPVMHUQVHRPP-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000001175865	555669748	/nfs/dbraw/zinc/66/97/48/555669748.db2.gz	APSGUMSFHBDRAD-UHFFFAOYSA-N	0	0	443.971	5.418	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000001177193	555670227	/nfs/dbraw/zinc/67/02/27/555670227.db2.gz	KRQRITBIGHTDQJ-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001183826	555673090	/nfs/dbraw/zinc/67/30/90/555673090.db2.gz	DWULHNLCQUHIJD-NYHFZMIOSA-N	0	0	427.591	5.370	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)c1	ZINC000001185853	555673956	/nfs/dbraw/zinc/67/39/56/555673956.db2.gz	FCBSXAHZDYQGAO-HXUWFJFHSA-N	0	0	442.346	5.303	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	ZINC000001199304	555677926	/nfs/dbraw/zinc/67/79/26/555677926.db2.gz	MMIJTDNGKZNQHE-PPHZAIPVSA-N	0	0	442.946	6.261	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000001202686	555679083	/nfs/dbraw/zinc/67/90/83/555679083.db2.gz	LGJDTSPXJNLJLU-OPAMFIHVSA-N	0	0	442.342	5.528	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc(Cl)cc1)N2	ZINC000001202885	555679434	/nfs/dbraw/zinc/67/94/34/555679434.db2.gz	VYWNXLFAJOZAHZ-VWLOTQADSA-N	0	0	428.919	6.157	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000001204589	555679945	/nfs/dbraw/zinc/67/99/45/555679945.db2.gz	OFFYFBDLLLMXKK-KSFYIVLOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000001204584	555680021	/nfs/dbraw/zinc/68/00/21/555680021.db2.gz	OFFYFBDLLLMXKK-ZHRRBRCNSA-N	0	0	425.887	5.014	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(CCCC2=O)N1	ZINC000001213056	555682770	/nfs/dbraw/zinc/68/27/70/555682770.db2.gz	WHXBHKJHHJDCRF-AREMUKBSSA-N	0	0	445.559	5.433	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000001213033	555682775	/nfs/dbraw/zinc/68/27/75/555682775.db2.gz	IEZGPYRAYNHBCB-RBZFPXEDSA-N	0	0	435.486	5.651	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000001213038	555682779	/nfs/dbraw/zinc/68/27/79/555682779.db2.gz	IEZGPYRAYNHBCB-RNODOKPDSA-N	0	0	435.486	5.651	50	30		IKEARN
CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1	ZINC000001219214	555685091	/nfs/dbraw/zinc/68/50/91/555685091.db2.gz	FRBKOIJENMRIFX-QFIPXVFZSA-N	0	0	432.907	5.189	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000001219703	555685437	/nfs/dbraw/zinc/68/54/37/555685437.db2.gz	WDLUUDAGFQCRQK-XTXDOFFSSA-N	0	0	445.902	5.531	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1	ZINC000001221160	555686001	/nfs/dbraw/zinc/68/60/01/555686001.db2.gz	GLFGLAVYEGWMMO-SANMLTNESA-N	0	0	445.559	5.228	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl	ZINC000001240489	555687134	/nfs/dbraw/zinc/68/71/34/555687134.db2.gz	YPOKFCMALMBUBT-JOCHJYFZSA-N	0	0	429.347	6.156	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccc(F)cc3)C12	ZINC000001283533	555689034	/nfs/dbraw/zinc/68/90/34/555689034.db2.gz	FIEVFKJHBBKHDW-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	ZINC000001408929	555694047	/nfs/dbraw/zinc/69/40/47/555694047.db2.gz	UXXFGVKPOTVQKM-WINIVTDRSA-N	0	0	426.516	5.683	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)c(Br)c1	ZINC000001408515	555694081	/nfs/dbraw/zinc/69/40/81/555694081.db2.gz	VLQFDXJAHKJOII-UHFFFAOYSA-N	0	0	444.369	5.128	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1	ZINC000001413008	555694579	/nfs/dbraw/zinc/69/45/79/555694579.db2.gz	MJCMKTPAJJWGSN-HFJWLAOPSA-N	0	0	428.601	7.025	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1	ZINC000001413011	555694613	/nfs/dbraw/zinc/69/46/13/555694613.db2.gz	MJCMKTPAJJWGSN-DWXRJYCRSA-N	0	0	428.601	7.025	50	30		IKEARN
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C	ZINC000001427386	555696219	/nfs/dbraw/zinc/69/62/19/555696219.db2.gz	AITJTURKCCCOIZ-MZKRTTBSSA-N	0	0	441.402	7.134	50	30		IKEARN
CSc1nnc(N2C(=O)C[C@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1	ZINC000001445850	555698784	/nfs/dbraw/zinc/69/87/84/555698784.db2.gz	QSXDDHOJLANZIU-GFCCVEGCSA-N	0	0	433.986	5.077	50	30		IKEARN
Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1	ZINC000001446273	555699096	/nfs/dbraw/zinc/69/90/96/555699096.db2.gz	OEYYIIQKGKVDPR-ZCYQVOJMSA-N	0	0	441.512	5.694	50	30		IKEARN
CC(=O)C1=NN(c2ccccc2Cl)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000001815196	555718462	/nfs/dbraw/zinc/71/84/62/555718462.db2.gz	CZZCNFWZDFAVFD-OAQYLSRUSA-N	0	0	443.981	5.481	50	30		IKEARN
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1	ZINC000001843602	555720160	/nfs/dbraw/zinc/72/01/60/555720160.db2.gz	QQODLKZGRKWIFG-MOXGXCLJSA-N	0	0	434.294	6.317	50	30	in-man	IKEARN
CCCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O	ZINC000001902739	555723611	/nfs/dbraw/zinc/72/36/11/555723611.db2.gz	ACUHVRVAJDHVED-UHFFFAOYSA-N	0	0	442.555	7.029	50	30		IKEARN
S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000001948184	555726388	/nfs/dbraw/zinc/72/63/88/555726388.db2.gz	JOVGUMFGBVGINY-CIAFOILYSA-N	0	0	425.311	5.139	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1Cl	ZINC000002055107	555730045	/nfs/dbraw/zinc/73/00/45/555730045.db2.gz	AESGGEWVVJMBOS-IBGZPJMESA-N	0	0	436.379	5.941	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C	ZINC000002055451	555730570	/nfs/dbraw/zinc/73/05/70/555730570.db2.gz	AHEKUNMMNLALIW-DEOSSOPVSA-N	0	0	439.596	5.811	50	30		IKEARN
N#Cc1c2c(sc1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)CCCC2	ZINC000002055727	555730579	/nfs/dbraw/zinc/73/05/79/555730579.db2.gz	URASCPXDCZNQTG-UVHMKAGCSA-N	0	0	441.383	7.135	50	30		IKEARN
O=[N+]([O-])c1ccccc1/C=C/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000002056721	555730884	/nfs/dbraw/zinc/73/08/84/555730884.db2.gz	DXECUDDQLCOJBO-PFITVWDTSA-N	0	0	438.270	7.126	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(C)c1)C2=O	ZINC000002062884	555732456	/nfs/dbraw/zinc/73/24/56/555732456.db2.gz	LRUYIRWSJUGJCW-UHFFFAOYSA-N	0	0	435.564	6.402	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002069366	555734278	/nfs/dbraw/zinc/73/42/78/555734278.db2.gz	CDOAWUQVYHTJJX-JOCHJYFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000002073019	555735196	/nfs/dbraw/zinc/73/51/96/555735196.db2.gz	NEUHYIQTLUDKOE-OPAMFIHVSA-N	0	0	441.980	5.716	50	30		IKEARN
O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000002075472	555735693	/nfs/dbraw/zinc/73/56/93/555735693.db2.gz	KRMHUPHTIHZVRU-DIBXZPPDSA-N	0	0	446.721	6.586	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C2/c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C	ZINC000002081280	555737825	/nfs/dbraw/zinc/73/78/25/555737825.db2.gz	MVLAYSHQJMDJKV-YZYICMKNSA-N	0	0	439.540	5.459	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002082223	555738689	/nfs/dbraw/zinc/73/86/89/555738689.db2.gz	PPVNLTXZAAHASO-AZKSEUFHSA-N	0	0	438.596	7.176	50	30		IKEARN
Cc1cccc(C)c1NC(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1	ZINC000002087846	555740490	/nfs/dbraw/zinc/74/04/90/555740490.db2.gz	XFEOMXUJUXWTTC-MWAVMZGNSA-N	0	0	439.437	5.612	50	30		IKEARN
O=C1c2ccccc2N[C@H](c2cccc3cccnc32)N1/N=C/c1cccc2cccnc12	ZINC000002098448	555742398	/nfs/dbraw/zinc/74/23/98/555742398.db2.gz	WPVWBYOJTFBRAC-FLANDWEYSA-N	0	0	429.483	5.384	50	30		IKEARN
COc1ccc(/N=C2\SC(=NNc3ccccc3)S\C2=N/c2ccc(OC)cc2)cc1	ZINC000002122775	555745617	/nfs/dbraw/zinc/74/56/17/555745617.db2.gz	SZIBCHBDYJGDJV-NUJSLWOLSA-N	0	0	448.573	6.327	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O	ZINC000002141561	555748130	/nfs/dbraw/zinc/74/81/30/555748130.db2.gz	BGOFCPTWTLESKZ-PFMNSIPKSA-N	0	0	432.545	5.489	50	30		IKEARN
O=C(CSc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000002143948	555748796	/nfs/dbraw/zinc/74/87/96/555748796.db2.gz	VQFPAWRLLZYZPF-UHFFFAOYSA-N	0	0	447.322	6.474	50	30		IKEARN
C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)c2c(F)cccc2F)C12CCCCC2	ZINC000002160852	555750821	/nfs/dbraw/zinc/75/08/21/555750821.db2.gz	PNAWPTPDCQXDPU-ROMGYVFFSA-N	0	0	428.504	6.067	50	30		IKEARN
C=CCn1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21	ZINC000002163067	555751240	/nfs/dbraw/zinc/75/12/40/555751240.db2.gz	ATHHIMMRTKFDOV-AJGXWLHTSA-N	0	0	435.552	6.636	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1	ZINC000002175088	555752396	/nfs/dbraw/zinc/75/23/96/555752396.db2.gz	GYWBLQYMNLXOHM-GOESLVMASA-N	0	0	448.519	5.647	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1Cl)C2=O	ZINC000002176700	555752437	/nfs/dbraw/zinc/75/24/37/555752437.db2.gz	NCOQVWMWODYLAI-UHFFFAOYSA-N	0	0	448.346	6.311	50	30		IKEARN
Cc1c(/N=C/c2ccccc2OCCOc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000002179825	555753012	/nfs/dbraw/zinc/75/30/12/555753012.db2.gz	GTTLREYZOWNBHV-TURZUDJPSA-N	0	0	441.531	5.001	50	30		IKEARN
Cc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C)s4)c(C)c3)cc2C)s1	ZINC000002181518	555753991	/nfs/dbraw/zinc/75/39/91/555753991.db2.gz	NMLKIBAQXDTWCF-DPCVLPDWSA-N	0	0	428.626	8.211	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCC3	ZINC000002183437	555754548	/nfs/dbraw/zinc/75/45/48/555754548.db2.gz	NWKPVWRRCIOSHN-UHFFFAOYSA-N	0	0	426.651	6.697	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccccc2F)o1	ZINC000002186403	555755554	/nfs/dbraw/zinc/75/55/54/555755554.db2.gz	VRIDZDMTQPFRSL-MUUNZHRXSA-N	0	0	437.514	7.548	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000002189425	555756288	/nfs/dbraw/zinc/75/62/88/555756288.db2.gz	KBJYLXCDJFHQBD-HAHDFKILSA-N	0	0	430.577	5.360	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1	ZINC000002209124	555758019	/nfs/dbraw/zinc/75/80/19/555758019.db2.gz	ZEAPQUSEFZZJJT-MTJSOVHGSA-N	0	0	433.489	5.672	50	30		IKEARN
Cc1ccccc1C(=O)NC(Nc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F	ZINC000002257401	555763130	/nfs/dbraw/zinc/76/31/30/555763130.db2.gz	OQIYGBBUDVSFRN-UHFFFAOYSA-N	0	0	444.297	5.677	50	30		IKEARN
O=C(Oc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1)c1sc2ccccc2c1Cl	ZINC000002277816	555764991	/nfs/dbraw/zinc/76/49/91/555764991.db2.gz	QPHDPYNZEDTMOP-UHFFFAOYSA-N	0	0	444.895	6.237	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	ZINC000002309679	555767629	/nfs/dbraw/zinc/76/76/29/555767629.db2.gz	PDVGYBUXCSPYFL-SWIXBYDISA-N	0	0	443.930	5.303	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1	ZINC000002319036	555768230	/nfs/dbraw/zinc/76/82/30/555768230.db2.gz	JJUBKLQVYAHOPM-UHFFFAOYSA-N	0	0	447.069	8.180	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(CCc4ccccc4)cc3)C12	ZINC000002348121	555770905	/nfs/dbraw/zinc/77/09/05/555770905.db2.gz	BIBKQYYOUMZJDV-SSEXGKCCSA-N	0	0	445.587	7.338	50	30		IKEARN
CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1	ZINC000002350868	555771068	/nfs/dbraw/zinc/77/10/68/555771068.db2.gz	CNXKGAYZXKRWOO-SFHVURJKSA-N	0	0	435.593	5.024	50	30	biogenic	IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1cccc(Cl)c1	ZINC000002597706	555789828	/nfs/dbraw/zinc/78/98/28/555789828.db2.gz	LAHALEPGAWZGLE-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2	ZINC000034667498	555791790	/nfs/dbraw/zinc/79/17/90/555791790.db2.gz	YPWTUUKWFBFQLO-NFQMXDRXSA-N	0	0	444.550	5.043	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002727237	555803191	/nfs/dbraw/zinc/80/31/91/555803191.db2.gz	IYEJGRKWWBTDBZ-HSZRJFAPSA-N	0	0	441.999	6.210	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC	ZINC000002739803	555807157	/nfs/dbraw/zinc/80/71/57/555807157.db2.gz	IISNDDMLSLRENI-JTUXUYRKSA-N	0	0	432.614	6.990	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)cc(Cl)c1OC	ZINC000002751703	555810326	/nfs/dbraw/zinc/81/03/26/555810326.db2.gz	YEYFMRSTOIVOPM-DEDYPNTBSA-N	0	0	438.936	5.792	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1	ZINC000002757373	555811539	/nfs/dbraw/zinc/81/15/39/555811539.db2.gz	LROSTCZLJWODRG-BKMJKUGQSA-N	0	0	429.560	5.564	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br	ZINC000002757460	555811572	/nfs/dbraw/zinc/81/15/72/555811572.db2.gz	OSFRPGYLCHUTNC-LJQANCHMSA-N	0	0	432.358	5.006	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	ZINC000002775345	555817797	/nfs/dbraw/zinc/81/77/97/555817797.db2.gz	ZFAYHMDKIHHFJC-HOYKHHGWSA-N	0	0	435.951	5.655	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1	ZINC000002776230	555818127	/nfs/dbraw/zinc/81/81/27/555818127.db2.gz	BJAQRJZBQYOTIL-DFBJGRDBSA-N	0	0	449.522	5.149	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000002788649	555821277	/nfs/dbraw/zinc/82/12/77/555821277.db2.gz	ZYTGHOYEGAMYNS-HSZRJFAPSA-N	0	0	425.544	5.696	50	30		IKEARN
Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1	ZINC000034707183	555821823	/nfs/dbraw/zinc/82/18/23/555821823.db2.gz	ZDYOQYKUGJUPFX-LHPDUPQPSA-N	0	0	431.919	5.055	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1	ZINC000002795942	555822141	/nfs/dbraw/zinc/82/21/41/555822141.db2.gz	NQHKQGZIBRBZBL-HXUWFJFHSA-N	0	0	446.385	5.396	50	30		IKEARN
COc1ccc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)cc1Br	ZINC000002798933	555823758	/nfs/dbraw/zinc/82/37/58/555823758.db2.gz	RYHMRNPSEHFXSY-HSZRJFAPSA-N	0	0	434.333	6.284	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)n1	ZINC000034712589	555825810	/nfs/dbraw/zinc/82/58/10/555825810.db2.gz	FZYWFYOZFWNXJK-UHFFFAOYSA-N	0	0	449.359	5.620	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(/C=N/c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1	ZINC000002821068	555829722	/nfs/dbraw/zinc/82/97/22/555829722.db2.gz	LMEVAUJPKWSHFG-ASIDMNOUSA-N	0	0	443.246	6.311	50	30		IKEARN
Cc1ccc2nc(-c3ccc(/N=C/c4ccc(OCc5ccccc5)cc4)cc3)sc2c1	ZINC000002821075	555829823	/nfs/dbraw/zinc/82/98/23/555829823.db2.gz	ZUWXIKJOOKNKBZ-RDRPBHBLSA-N	0	0	434.564	7.601	50	30		IKEARN
COc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c2ccccc12	ZINC000002834344	555832307	/nfs/dbraw/zinc/83/23/07/555832307.db2.gz	KASOQDUDWOBRST-UNOMPAQXSA-N	0	0	425.962	6.406	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1	ZINC000002844403	555836920	/nfs/dbraw/zinc/83/69/20/555836920.db2.gz	YVXMMMIGPJJACV-WXTAPIANSA-N	0	0	449.522	5.656	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1	ZINC000002844404	555836974	/nfs/dbraw/zinc/83/69/74/555836974.db2.gz	YVXMMMIGPJJACV-DWXRJYCRSA-N	0	0	449.522	5.656	50	30		IKEARN
N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccco2)c(-c2ccc(Cl)cc2)n1	ZINC000002845569	555837322	/nfs/dbraw/zinc/83/73/22/555837322.db2.gz	TZNXAJOEWBXSEY-UHFFFAOYSA-N	0	0	444.922	5.553	50	30		IKEARN
CCN(CC)c1ccc(/N=C/c2ccc(/C=N/c3ccc(N(CC)CC)cc3)cc2)cc1	ZINC000002854259	555840795	/nfs/dbraw/zinc/84/07/95/555840795.db2.gz	LCKWPSBPFIXAGK-VFIVCBTMSA-N	0	0	426.608	6.880	50	30		IKEARN
Cc1ccc(CNC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000002856282	555841668	/nfs/dbraw/zinc/84/16/68/555841668.db2.gz	AYPDCZGGQWZOLI-UHFFFAOYSA-N	0	0	425.579	5.002	50	30		IKEARN
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000002861942	555845122	/nfs/dbraw/zinc/84/51/22/555845122.db2.gz	ZUCGBBVKTIUPGD-VWLOTQADSA-N	0	0	448.519	5.266	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1	ZINC000002865494	555847084	/nfs/dbraw/zinc/84/70/84/555847084.db2.gz	ICBFSKRAGIXFHD-HXUWFJFHSA-N	0	0	441.383	6.688	50	30		IKEARN
N#C[C@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1	ZINC000002871367	555850060	/nfs/dbraw/zinc/85/00/60/555850060.db2.gz	KZYOIJKSCMSKOW-DEOSSOPVSA-N	0	0	447.332	5.574	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1c(F)c(F)c(F)c(F)c1F	ZINC000002906049	555861319	/nfs/dbraw/zinc/86/13/19/555861319.db2.gz	GMGCRMXJWPGWAV-XMMPIXPASA-N	0	0	443.415	6.845	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2cccc(OC)c2)C1=O	ZINC000002910945	555861977	/nfs/dbraw/zinc/86/19/77/555861977.db2.gz	NJQDWCYGUVJUHM-RCCKNPSSSA-N	0	0	431.513	5.392	50	30		IKEARN
Cc1ccc(C(C)C)c(OCCOc2c(Cl)cc(Cl)cc2/C=N/n2cnnc2)c1	ZINC000002977269	555870362	/nfs/dbraw/zinc/87/03/62/555870362.db2.gz	YSSFOPZSWLEOPX-KBKYJPHKSA-N	0	0	433.339	5.357	50	30		IKEARN
Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(C)c1C	ZINC000002995159	555876031	/nfs/dbraw/zinc/87/60/31/555876031.db2.gz	QCDVQMAPZBDBHX-WKIKZPBSSA-N	0	0	430.577	5.243	50	30		IKEARN
COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)cc2)C2=C1CC(C)(C)CC2=O	ZINC000002997598	555876369	/nfs/dbraw/zinc/87/63/69/555876369.db2.gz	MYKJGKVNJBQVHD-UHFFFAOYSA-N	0	0	437.580	5.114	50	30		IKEARN
C=CCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1	ZINC000003002236	555877865	/nfs/dbraw/zinc/87/78/65/555877865.db2.gz	WGLPHRSAFXBFEY-PDGQHHTCSA-N	0	0	445.993	6.207	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000003014378	555880289	/nfs/dbraw/zinc/88/02/89/555880289.db2.gz	UCDDJSZWJIRBHU-HXUWFJFHSA-N	0	0	446.385	5.396	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)Nc1ccccc1	ZINC000003094791	555885798	/nfs/dbraw/zinc/88/57/98/555885798.db2.gz	OQOUYXAYSNZCTE-ZMOGYAJESA-N	0	0	437.977	6.431	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000003098419	555886403	/nfs/dbraw/zinc/88/64/03/555886403.db2.gz	IOUHODBDRMQFMG-OAQYLSRUSA-N	0	0	448.390	6.083	50	30		IKEARN
CC(C)(C)NC(=S)N/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1	ZINC000003127453	555889921	/nfs/dbraw/zinc/88/99/21/555889921.db2.gz	HQCINBCZIQACNX-YSURURNPSA-N	0	0	446.951	5.502	50	30		IKEARN
FC(F)(F)c1cnc(-n2nccc2/C=N/OCc2c(Cl)cccc2Cl)c(Cl)c1	ZINC000003134655	555890906	/nfs/dbraw/zinc/89/09/06/555890906.db2.gz	XMVZGYVXBVSXPP-MWRNPHMMSA-N	0	0	449.647	5.797	50	30		IKEARN
CCCCCCC#Cc1cncc(-c2nnc(SCc3ccc(Cl)cc3)n2C)c1	ZINC000003138222	555891125	/nfs/dbraw/zinc/89/11/25/555891125.db2.gz	KJNATPOIWHTTGC-UHFFFAOYSA-N	0	0	425.001	6.145	50	30		IKEARN
COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1OC(=O)/C=C/c1cccs1	ZINC000003138317	555891201	/nfs/dbraw/zinc/89/12/01/555891201.db2.gz	METCRWHMOQWPOI-GHRZAKMRSA-N	0	0	432.328	6.433	50	30		IKEARN
CCCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl	ZINC000003147781	555892002	/nfs/dbraw/zinc/89/20/02/555892002.db2.gz	RXEVFQIQBAFKFA-HNNXBMFYSA-N	0	0	444.628	6.034	50	30		IKEARN
C(=N/c1ccc(-c2ccc(/N=C/c3c[nH]c4ccccc34)cc2)cc1)\c1c[nH]c2ccccc12	ZINC000003146901	555892069	/nfs/dbraw/zinc/89/20/69/555892069.db2.gz	YUDMZKQKNPIPMK-LTTYKRRRSA-N	0	0	438.534	7.817	50	30		IKEARN
O[C@](Cc1ccccc1)(c1ccccc1)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1	ZINC000003161670	555892988	/nfs/dbraw/zinc/89/29/88/555892988.db2.gz	TZQAMRXGNMSWBK-WSFYNJOLSA-N	0	0	446.377	7.223	50	30		IKEARN
COc1ccc(-c2oc(/N=C/c3ccc(F)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000003305351	555917155	/nfs/dbraw/zinc/91/71/55/555917155.db2.gz	GATIHYPMFNRQGI-MUFRIFMGSA-N	0	0	426.447	6.392	50	30		IKEARN
COc1cc(OC)c(C(=O)/C=C\c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1	ZINC000034856869	555924516	/nfs/dbraw/zinc/92/45/16/555924516.db2.gz	GMVRRASQHIYZQN-BENRWUELSA-N	0	0	434.488	5.196	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1	ZINC000003639568	555943099	/nfs/dbraw/zinc/94/30/99/555943099.db2.gz	XGTVBDHKQSNKBC-IQGLISFBSA-N	0	0	449.522	5.149	50	30		IKEARN
Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1	ZINC000003664870	555944769	/nfs/dbraw/zinc/94/47/69/555944769.db2.gz	VBXBPAYKTGQHJF-NKXCCORXSA-N	0	0	426.585	7.235	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000003772463	555946699	/nfs/dbraw/zinc/94/66/99/555946699.db2.gz	WFCYVGXXJPBHNY-MHZLTWQESA-N	0	0	445.607	6.086	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000004048131	555955473	/nfs/dbraw/zinc/95/54/73/555955473.db2.gz	AHURIOZKCVUFMA-CLYVBNDRSA-N	0	0	444.962	6.718	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004047865	555955487	/nfs/dbraw/zinc/95/54/87/555955487.db2.gz	UXBLMKHKNIFXDS-UZTOHYMASA-N	0	0	443.978	6.386	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000004047856	555955516	/nfs/dbraw/zinc/95/55/16/555955516.db2.gz	AGQNVTZMIXEHKC-MNNSJKJDSA-N	0	0	437.587	6.512	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004059640	555956163	/nfs/dbraw/zinc/95/61/63/555956163.db2.gz	DZUNJFLGANAYID-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004061087	555956533	/nfs/dbraw/zinc/95/65/33/555956533.db2.gz	XZEHBYKROOPHBY-DEOSSOPVSA-N	0	0	437.580	5.565	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1	ZINC000004064493	555957176	/nfs/dbraw/zinc/95/71/76/555957176.db2.gz	XSNLCTYJONDVHU-QMTYFTJSSA-N	0	0	448.925	6.467	50	30	biogenic,in-vitro	IKEARN
CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004065489	555957458	/nfs/dbraw/zinc/95/74/58/555957458.db2.gz	FEAIPHNAYUBJNB-LGGPFLRQSA-N	0	0	438.571	6.845	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc(Cl)c1)Nc1ccccc1N2	ZINC000004065628	555957499	/nfs/dbraw/zinc/95/74/99/555957499.db2.gz	LNVYGCRQHNZVOG-SSOJOUAXSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000004078031	555958360	/nfs/dbraw/zinc/95/83/60/555958360.db2.gz	NNEXSNHINRWDGU-IVCQMTBJSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000004082014	555958931	/nfs/dbraw/zinc/95/89/31/555958931.db2.gz	GUPPYNAVRNACFU-CRICUBBOSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2	ZINC000004080056	555958953	/nfs/dbraw/zinc/95/89/53/555958953.db2.gz	IENZLPCPVYGBNZ-IVCQMTBJSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2	ZINC000004082970	555959270	/nfs/dbraw/zinc/95/92/70/555959270.db2.gz	ODDZZRWZCIJQFO-FKAPRUDGSA-N	0	0	442.562	7.333	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2	ZINC000004082576	555959351	/nfs/dbraw/zinc/95/93/51/555959351.db2.gz	ZVNIIVXBILHVGW-IVCQMTBJSA-N	0	0	435.354	6.973	50	30		IKEARN
Brc1ccc(N=NC(Br)c2ccccc2)c(Br)c1	ZINC000004290538	555983494	/nfs/dbraw/zinc/98/34/94/555983494.db2.gz	LCAVXBLQYLZLDG-AQTBWJFISA-N	0	0	432.941	5.380	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004349873	555988976	/nfs/dbraw/zinc/98/89/76/555988976.db2.gz	BCHULALFBLLPAM-RUZDIDTESA-N	0	0	428.576	5.800	50	30		IKEARN
COc1ccccc1/C=C\C(=O)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1	ZINC000004552149	556000821	/nfs/dbraw/zinc/00/08/21/556000821.db2.gz	BEPYDKGHSWSSOC-KAMYIIQDSA-N	0	0	426.428	5.008	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004635568	556004609	/nfs/dbraw/zinc/00/46/09/556004609.db2.gz	CDXZMWKCWCVSJZ-VWLOTQADSA-N	0	0	447.554	5.279	50	30		IKEARN
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1Cl	ZINC000004794646	556012216	/nfs/dbraw/zinc/01/22/16/556012216.db2.gz	RFAHJINACXWYNE-JOCHJYFZSA-N	0	0	427.928	5.566	50	30		IKEARN
O=S(=O)(/N=C(/N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	ZINC000006025915	556072786	/nfs/dbraw/zinc/07/27/86/556072786.db2.gz	KSAJPVALNWFCIF-JOSXGXAISA-N	0	0	440.524	5.348	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000006142115	556077050	/nfs/dbraw/zinc/07/70/50/556077050.db2.gz	VTVZBJAINPBAPU-FMSCZUEMSA-N	0	0	449.963	5.663	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1	ZINC000006156984	556078586	/nfs/dbraw/zinc/07/85/86/556078586.db2.gz	IADRAYWMJXEQEO-VOIUYBSRSA-N	0	0	427.529	5.522	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3cccs3)C2)cc1	ZINC000006157002	556078611	/nfs/dbraw/zinc/07/86/11/556078611.db2.gz	IADRAYWMJXEQEO-UPCLLVRISA-N	0	0	427.529	5.522	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006197653	556080250	/nfs/dbraw/zinc/08/02/50/556080250.db2.gz	WLIPUUDIJUGUGY-RUZDIDTESA-N	0	0	444.575	5.500	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1	ZINC000006197667	556080277	/nfs/dbraw/zinc/08/02/77/556080277.db2.gz	VEHPKAAVCHEUTI-JLCFBVMHSA-N	0	0	427.591	5.297	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1F	ZINC000006446067	556088486	/nfs/dbraw/zinc/08/84/86/556088486.db2.gz	CAYPLBWXIOMWFB-SDHSZQHLSA-N	0	0	437.449	5.249	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000006459929	556089575	/nfs/dbraw/zinc/08/95/75/556089575.db2.gz	YKPAGHFWHBMDOY-JOPVOSQUSA-N	0	0	429.903	5.831	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4cccc([N+](=O)[O-])c4)c3c2C1	ZINC000006462302	556090092	/nfs/dbraw/zinc/09/00/92/556090092.db2.gz	GIMBHBUJZDYZDL-JOBSNELWSA-N	0	0	437.569	5.977	50	30		IKEARN
C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1	ZINC000006498692	556091809	/nfs/dbraw/zinc/09/18/09/556091809.db2.gz	COFDEJPZEYLXTK-WGDIFIGCSA-N	0	0	428.488	5.112	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I	ZINC000006827731	556105432	/nfs/dbraw/zinc/10/54/32/556105432.db2.gz	BULLJMKUVKYZDJ-UHFFFAOYSA-N	0	0	445.944	5.118	50	30		IKEARN
O=C1SC(SCc2ccc(Cl)cc2)=N/C1=C\c1ccc(Br)s1	ZINC000006997003	556112790	/nfs/dbraw/zinc/11/27/90/556112790.db2.gz	ARMSUFPHTTUFLW-GHXNOFRVSA-N	0	0	430.801	6.068	50	30		IKEARN
C=CCNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1	ZINC000002678633	556118777	/nfs/dbraw/zinc/11/87/77/556118777.db2.gz	BCAZJMZWVQRQFY-QJOMJCCJSA-N	0	0	432.907	5.205	50	30		IKEARN
O=C1N/C(=N/N=C/c2ccc(-c3cccc(Cl)c3)o2)S[C@H]1Cc1cccc(Cl)c1	ZINC000002669022	556119918	/nfs/dbraw/zinc/11/99/18/556119918.db2.gz	GERDBPIXVJGFRW-OGBFJMLUSA-N	0	0	444.343	5.418	50	30		IKEARN
FC(F)c1cc(C(F)F)n2nc(-c3nnc(-c4cccc(C(F)(F)F)c4)o3)cc2n1	ZINC000002803456	556142740	/nfs/dbraw/zinc/14/27/40/556142740.db2.gz	ADZARTUVEXBPMY-UHFFFAOYSA-N	0	0	431.271	5.340	50	30		IKEARN
Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@H](C(C)(C)C)C3)cnn1C	ZINC000002792860	556144738	/nfs/dbraw/zinc/14/47/38/556144738.db2.gz	UPQWKMYKYNVFAW-NEOOYVHHSA-N	0	0	440.657	5.754	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S	ZINC000002856309	556148056	/nfs/dbraw/zinc/14/80/56/556148056.db2.gz	DDODSLLZVIGQSE-LTGZKZEYSA-N	0	0	425.575	5.230	50	30		IKEARN
C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(CC)C2=O)c2ccccc21	ZINC000002957248	556150964	/nfs/dbraw/zinc/15/09/64/556150964.db2.gz	XOARQXKDLXPBEC-KQWNVCNZSA-N	0	0	448.613	5.670	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCCSc3ccc(Cl)cc3)cc2)SC1=S	ZINC000002993894	556155852	/nfs/dbraw/zinc/15/58/52/556155852.db2.gz	QBNUNFNIAKLLDV-RGEXLXHISA-N	0	0	448.034	5.898	50	30		IKEARN
CCCCOc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1	ZINC000008384120	556160097	/nfs/dbraw/zinc/16/00/97/556160097.db2.gz	HUXPANHDIQORGD-QFIPXVFZSA-N	0	0	448.544	5.101	50	30		IKEARN
CCCC[C@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C	ZINC000008384843	556160580	/nfs/dbraw/zinc/16/05/80/556160580.db2.gz	WEAZETIELYIGMB-FNVCAUGXSA-N	0	0	430.386	5.636	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl	ZINC000008385138	556161162	/nfs/dbraw/zinc/16/11/62/556161162.db2.gz	FXVWHACBOFDDJZ-WGCOJADFSA-N	0	0	440.327	5.113	50	30		IKEARN
Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1	ZINC000008386565	556162147	/nfs/dbraw/zinc/16/21/47/556162147.db2.gz	FERNYWQEPLXRLK-BHGWPJFGSA-N	0	0	441.712	6.675	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)s1	ZINC000008396174	556163297	/nfs/dbraw/zinc/16/32/97/556163297.db2.gz	MHLVNAVXAAAOCB-BOPFTXTBSA-N	0	0	446.981	6.583	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000008396176	556163349	/nfs/dbraw/zinc/16/33/49/556163349.db2.gz	GRDGUXROMHEQPC-HXNPFYCNSA-N	0	0	428.557	6.326	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000008396130	556163354	/nfs/dbraw/zinc/16/33/54/556163354.db2.gz	MRDUCHUHMFQMJK-BLEOTABNSA-N	0	0	426.585	7.235	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccccc1Cl)N2	ZINC000008397122	556163868	/nfs/dbraw/zinc/16/38/68/556163868.db2.gz	AHGQKEJUFHKILQ-VWLOTQADSA-N	0	0	428.919	6.157	50	30		IKEARN
COc1cccc(/C=C/C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)c1OC	ZINC000008397602	556164201	/nfs/dbraw/zinc/16/42/01/556164201.db2.gz	BXESZVNFNSBGGR-WUKNDPDISA-N	0	0	437.499	5.406	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2ccc(Cl)cc2Cl)c1=O	ZINC000008398043	556164586	/nfs/dbraw/zinc/16/45/86/556164586.db2.gz	QMPHFJISGJQSPF-XBXARRHUSA-N	0	0	427.125	5.444	50	30		IKEARN
COc1cccc(/C=N/c2ccc(Oc3ccc(/N=C/c4cccc(OC)c4)cc3)cc2)c1	ZINC000008398505	556164752	/nfs/dbraw/zinc/16/47/52/556164752.db2.gz	REABBRDBSQZLRC-CZYCKNNWSA-N	0	0	436.511	6.997	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1	ZINC000008399104	556165149	/nfs/dbraw/zinc/16/51/49/556165149.db2.gz	YLLNITIABQGAHU-GZTJUZNOSA-N	0	0	442.555	6.924	50	30	biogenic,in-vitro	IKEARN
CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1	ZINC000008399862	556165649	/nfs/dbraw/zinc/16/56/49/556165649.db2.gz	FZFSZHXVPDKCMF-CKNUFSEASA-N	0	0	445.566	7.192	50	30		IKEARN
O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Br)c2)n1	ZINC000008402092	556166524	/nfs/dbraw/zinc/16/65/24/556166524.db2.gz	QOKNTABTFKBFPR-UFFVCSGVSA-N	0	0	426.295	5.125	50	30		IKEARN
O=C1/C(=C\c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000008408069	556166835	/nfs/dbraw/zinc/16/68/35/556166835.db2.gz	BSOCMNASONXDMO-DBSKITMISA-N	0	0	449.373	6.253	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000008413054	556167342	/nfs/dbraw/zinc/16/73/42/556167342.db2.gz	SUPVQWYACMXLIM-QFIPXVFZSA-N	0	0	443.572	5.539	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000008414959	556167360	/nfs/dbraw/zinc/16/73/60/556167360.db2.gz	BDFRDFCFDWYBNM-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCC	ZINC000008424639	556168009	/nfs/dbraw/zinc/16/80/09/556168009.db2.gz	HLPHUYUNNXZMJI-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccs1	ZINC000008426541	556168821	/nfs/dbraw/zinc/16/88/21/556168821.db2.gz	MNLOQRCRYSFXEA-XMMPIXPASA-N	0	0	428.557	6.201	50	30		IKEARN
O=C(/C=C/c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1	ZINC000008430766	556170449	/nfs/dbraw/zinc/17/04/49/556170449.db2.gz	LVUSTTLJPLEOCA-RJRNSMGGSA-N	0	0	428.557	5.023	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000008430519	556170479	/nfs/dbraw/zinc/17/04/79/556170479.db2.gz	PNGNWPJWZXHUKW-NPMABZOXSA-N	0	0	441.383	7.034	50	30		IKEARN
N#Cc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1	ZINC000008432363	556171892	/nfs/dbraw/zinc/17/18/92/556171892.db2.gz	DDYZKPVBNJSCGY-AFUMVMLFSA-N	0	0	428.293	5.377	50	30		IKEARN
CCCCCOc1ccc(/C=N/c2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1	ZINC000008434834	556172782	/nfs/dbraw/zinc/17/27/82/556172782.db2.gz	RSPISSRYNJRGCJ-WEMUVCOSSA-N	0	0	447.578	8.292	50	30		IKEARN
C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1c2ccccc2cc2ccccc21	ZINC000008435298	556173046	/nfs/dbraw/zinc/17/30/46/556173046.db2.gz	YSAXLRRQBDQJRM-TURZUDJPSA-N	0	0	436.563	5.429	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1	ZINC000008437040	556173584	/nfs/dbraw/zinc/17/35/84/556173584.db2.gz	BCKXJZBWRSMESK-XLNRJJMWSA-N	0	0	443.499	6.057	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008437044	556173598	/nfs/dbraw/zinc/17/35/98/556173598.db2.gz	DWZYPQBSDMJMFJ-ATVHPVEESA-N	0	0	433.435	5.416	50	30		IKEARN
CCOc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008439503	556175815	/nfs/dbraw/zinc/17/58/15/556175815.db2.gz	FDTIDYNSCPMNCV-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1CCCO	ZINC000008440026	556176084	/nfs/dbraw/zinc/17/60/84/556176084.db2.gz	WYONYWPDGMNRNC-UHFFFAOYSA-N	0	0	428.705	8.223	50	30		IKEARN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000008439966	556176129	/nfs/dbraw/zinc/17/61/29/556176129.db2.gz	QOVPCICKTARHON-XMMPIXPASA-N	0	0	427.500	5.254	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008440067	556176135	/nfs/dbraw/zinc/17/61/35/556176135.db2.gz	ATQYDIYZLYDUPD-VWLOTQADSA-N	0	0	439.555	6.071	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)o2)S/C(=N/c2ccccc2)N1c1ccccc1	ZINC000008442870	556177711	/nfs/dbraw/zinc/17/77/11/556177711.db2.gz	RPATUCQHNBLEPW-UGFLLLHASA-N	0	0	425.307	5.851	50	30		IKEARN
CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1	ZINC000008443850	556178393	/nfs/dbraw/zinc/17/83/93/556178393.db2.gz	ZQSRUMGIKOTNIK-SANMLTNESA-N	0	0	432.564	6.028	50	30		IKEARN
CCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1	ZINC000008443854	556178407	/nfs/dbraw/zinc/17/84/07/556178407.db2.gz	XBPUHAZGAJUOGE-AREMUKBSSA-N	0	0	432.564	6.028	50	30		IKEARN
CCOC(=O)c1ccc(N2C(=S)N=C(Nc3c(C)cccc3C)C23CCCCC3)cc1	ZINC000008444333	556179010	/nfs/dbraw/zinc/17/90/10/556179010.db2.gz	DWVADWLNBOKHAM-UHFFFAOYSA-N	0	0	435.593	5.608	50	30		IKEARN
CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1OC	ZINC000008448961	556180696	/nfs/dbraw/zinc/18/06/96/556180696.db2.gz	FYDAQJBKGXKXRP-UHFFFAOYSA-N	0	0	436.552	5.423	50	30		IKEARN
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O	ZINC000008448963	556180753	/nfs/dbraw/zinc/18/07/53/556180753.db2.gz	BZUFJIZZWHMGGA-UHFFFAOYSA-N	0	0	449.591	6.873	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O	ZINC000008451742	556182285	/nfs/dbraw/zinc/18/22/85/556182285.db2.gz	SYSLHZGKUNLUIS-ZSINXLAGSA-N	0	0	442.968	5.522	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1	ZINC000008452300	556182747	/nfs/dbraw/zinc/18/27/47/556182747.db2.gz	APVAUAKEHDSZPH-FUQOYWQNSA-N	0	0	442.584	6.370	50	30		IKEARN
Cn1c2ccccc2c2nnc(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21	ZINC000008452991	556183468	/nfs/dbraw/zinc/18/34/68/556183468.db2.gz	ZSECZMAIFWIEJE-RPPGKUMJSA-N	0	0	436.397	5.241	50	30		IKEARN
O=C(O/N=C1\CCCc2c3cc(C4CCCCC4)ccc3[nH]c21)c1ccc([N+](=O)[O-])cc1	ZINC000008453896	556184736	/nfs/dbraw/zinc/18/47/36/556184736.db2.gz	JEJISTTXHDGUTC-SLEBQGDGSA-N	0	0	431.492	6.021	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000008454169	556185098	/nfs/dbraw/zinc/18/50/98/556185098.db2.gz	LTFKDVHRYNOPCR-OEAKJJBVSA-N	0	0	427.504	5.720	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S/C1=N/c1ccccc1	ZINC000008461758	556186164	/nfs/dbraw/zinc/18/61/64/556186164.db2.gz	KIDYNMCMMLZZCH-IZSQXYTLSA-N	0	0	449.488	5.487	50	30		IKEARN
CC(C)(C)NC(=S)N/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1	ZINC000008626556	556193456	/nfs/dbraw/zinc/19/34/56/556193456.db2.gz	HVYODSDVDRSCKW-FOKLQQMPSA-N	0	0	440.447	5.002	50	30		IKEARN
Cc1cc(-c2ccccc2)nc2oc3c(ncn(/N=C/c4ccc(Cl)cc4Cl)c3=O)c21	ZINC000008636805	556194802	/nfs/dbraw/zinc/19/48/02/556194802.db2.gz	CBQWPSWHNXBYBE-LUOAPIJWSA-N	0	0	449.297	5.702	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2cccc3ccccc23)c2nc3ccccc3o2)cc1	ZINC000008741901	556207349	/nfs/dbraw/zinc/20/73/49/556207349.db2.gz	NOPUFJDAQHTPIL-PLRJNAJWSA-N	0	0	433.507	7.193	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000008742243	556207371	/nfs/dbraw/zinc/20/73/71/556207371.db2.gz	UAMHNFUXDDMCPH-WNCULLNHSA-N	0	0	443.587	5.810	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008763704	556211772	/nfs/dbraw/zinc/21/17/72/556211772.db2.gz	QQASDACJHZEFFN-PGMHBOJBSA-N	0	0	443.499	6.057	50	30		IKEARN
CCOc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1	ZINC000008763950	556211978	/nfs/dbraw/zinc/21/19/78/556211978.db2.gz	INMBJBTYRUWKEK-ZONZVBGPSA-N	0	0	445.522	5.370	50	30		IKEARN
CCOc1ccc(-c2cs/c(=N/N=C(\C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1	ZINC000008765911	556212305	/nfs/dbraw/zinc/21/23/05/556212305.db2.gz	KDLOFESDRVHGBL-TVLFCFFTSA-N	0	0	447.991	6.583	50	30		IKEARN
CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000008779956	556214573	/nfs/dbraw/zinc/21/45/73/556214573.db2.gz	JKHGYJATRXVMIK-VWLOTQADSA-N	0	0	444.575	5.636	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)cc2Cl)c1=O	ZINC000097474808	556216698	/nfs/dbraw/zinc/21/66/98/556216698.db2.gz	QMPHFJISGJQSPF-YWEYNIOJSA-N	0	0	427.125	5.444	50	30		IKEARN
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2	ZINC000008830090	556225156	/nfs/dbraw/zinc/22/51/56/556225156.db2.gz	XGBYPXJUPDRINW-USXBGQAZSA-N	0	0	432.387	5.211	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2	ZINC000008846662	556227209	/nfs/dbraw/zinc/22/72/09/556227209.db2.gz	NVTWIXACOHQGCP-CBZJRKILSA-N	0	0	444.962	6.718	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1	ZINC000008846695	556227227	/nfs/dbraw/zinc/22/72/27/556227227.db2.gz	SWLSQKIALIIEJM-QYBDOPJKSA-N	0	0	448.488	6.993	50	30		IKEARN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1	ZINC000008892303	556230965	/nfs/dbraw/zinc/23/09/65/556230965.db2.gz	PHEASQZZEASOHK-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1	ZINC000008915554	556232448	/nfs/dbraw/zinc/23/24/48/556232448.db2.gz	IYWMJZGJVOBLCB-SILNSSARSA-N	0	0	429.472	5.667	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1	ZINC000008916827	556232899	/nfs/dbraw/zinc/23/28/99/556232899.db2.gz	CQJJTUOODQCOMJ-ZTOMLWHTSA-N	0	0	436.599	7.272	50	30		IKEARN
N#Cc1c(/N=C/c2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000008935175	556235337	/nfs/dbraw/zinc/23/53/37/556235337.db2.gz	FULZOGCXGAKRCN-JVWAILMASA-N	0	0	427.301	6.998	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000008968595	556237122	/nfs/dbraw/zinc/23/71/22/556237122.db2.gz	UIRHLVVFWAYYHY-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1	ZINC000008994611	556239392	/nfs/dbraw/zinc/23/93/92/556239392.db2.gz	QVVUBRKUPNRMHT-HSZRJFAPSA-N	0	0	435.593	5.206	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(F)cc1	ZINC000009044081	556242345	/nfs/dbraw/zinc/24/23/45/556242345.db2.gz	GXCUYFSLMHNBHP-HXUWFJFHSA-N	0	0	432.417	5.531	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000009065149	556244428	/nfs/dbraw/zinc/24/44/28/556244428.db2.gz	RIUCOGLEHBNCHB-NRFANRHFSA-N	0	0	427.928	5.078	50	30		IKEARN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1	ZINC000009066257	556244897	/nfs/dbraw/zinc/24/48/97/556244897.db2.gz	ROZACWHXJRDJAS-IBGZPJMESA-N	0	0	448.525	5.149	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccco1	ZINC000009082841	556245171	/nfs/dbraw/zinc/24/51/71/556245171.db2.gz	MQPHVQVIGXMZRJ-AREMUKBSSA-N	0	0	426.516	5.665	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000009089228	556245883	/nfs/dbraw/zinc/24/58/83/556245883.db2.gz	CFJQPANDIBUDTP-HXUWFJFHSA-N	0	0	434.289	5.232	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@@H]2c1cccc(Cl)c1	ZINC000009109109	556247079	/nfs/dbraw/zinc/24/70/79/556247079.db2.gz	OUFYNXNDCTWGAL-HXUWFJFHSA-N	0	0	436.968	5.705	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009110181	556247514	/nfs/dbraw/zinc/24/75/14/556247514.db2.gz	NYPUIMUEMHXKAX-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009184890	556250218	/nfs/dbraw/zinc/25/02/18/556250218.db2.gz	MMXPVYJCUOUUPZ-QFIPXVFZSA-N	0	0	431.875	5.326	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1	ZINC000009191631	556254057	/nfs/dbraw/zinc/25/40/57/556254057.db2.gz	QZJAJWSFAMOGSR-XRHLQHRESA-N	0	0	442.515	5.599	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000009241462	556266695	/nfs/dbraw/zinc/26/66/95/556266695.db2.gz	TVYGVLXBISWPIF-LJQANCHMSA-N	0	0	436.508	5.363	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(O)cc1	ZINC000009246680	556266944	/nfs/dbraw/zinc/26/69/44/556266944.db2.gz	UHKFJYFVMFKIQX-SANMLTNESA-N	0	0	438.527	5.845	50	30		IKEARN
O=C(Nc1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000009264146	556270069	/nfs/dbraw/zinc/27/00/69/556270069.db2.gz	PTLWWTDWVKTKCF-VWLOTQADSA-N	0	0	443.934	6.552	50	30		IKEARN
COc1ccccc1[C@@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O	ZINC000009264315	556270474	/nfs/dbraw/zinc/27/04/74/556270474.db2.gz	GHIOUXPTYCHIBO-MRDQGFSESA-N	0	0	428.488	5.209	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009271458	556271054	/nfs/dbraw/zinc/27/10/54/556271054.db2.gz	VEKIOHJACGZVRW-XMMPIXPASA-N	0	0	431.532	5.646	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1	ZINC000009296670	556275518	/nfs/dbraw/zinc/27/55/18/556275518.db2.gz	GKMMFSAFTYITEF-LDADJPATSA-N	0	0	425.307	5.601	50	30		IKEARN
CCOc1c(Br)cc(/C=C2\S/C(=N/c3ccccc3C)NC2=O)cc1OC	ZINC000009311178	556279267	/nfs/dbraw/zinc/27/92/67/556279267.db2.gz	BCTYUNKGZWFLNH-BOPFTXTBSA-N	0	0	447.354	5.056	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000009329779	556282634	/nfs/dbraw/zinc/28/26/34/556282634.db2.gz	AJODGYLCVPQYID-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1	ZINC000009445523	556292515	/nfs/dbraw/zinc/29/25/15/556292515.db2.gz	AKXGPZLJNZNMHN-FXBPSFAMSA-N	0	0	443.499	6.057	50	30		IKEARN
O=S(=O)(N=C(NCCc1ccc(Cl)cc1)c1ccccc1Cl)c1cccs1	ZINC000009487352	556294460	/nfs/dbraw/zinc/29/44/60/556294460.db2.gz	RDJSZEISDAHKIK-UHFFFAOYSA-N	0	0	439.389	5.023	50	30		IKEARN
CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl	ZINC000009504838	556295821	/nfs/dbraw/zinc/29/58/21/556295821.db2.gz	VFAGDEBNSOPEPN-HXUWFJFHSA-N	0	0	437.971	5.632	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12	ZINC000009546497	556297366	/nfs/dbraw/zinc/29/73/66/556297366.db2.gz	BZZXKWMOGQKOBW-IQMFZBJNSA-N	0	0	431.948	6.167	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1	ZINC000009556392	556298068	/nfs/dbraw/zinc/29/80/68/556298068.db2.gz	PKBRESAPLDCYQM-DQEYMECFSA-N	0	0	440.499	5.765	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC	ZINC000009559905	556298901	/nfs/dbraw/zinc/29/89/01/556298901.db2.gz	GIPWOQUJELTBGT-CJNGLKHVSA-N	0	0	446.330	5.015	50	30		IKEARN
Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1	ZINC000013756608	556300733	/nfs/dbraw/zinc/30/07/33/556300733.db2.gz	OAJLBXBPGDIFFQ-AWUWXFTQSA-N	0	0	435.958	7.446	50	30		IKEARN
Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)c(C)c1	ZINC000013756749	556300751	/nfs/dbraw/zinc/30/07/51/556300751.db2.gz	LMNYAEDMGOPRQL-IMASQNRCSA-N	0	0	443.594	7.718	50	30		IKEARN
Cc1sc(N=NCc2ccc(OS(=O)(=O)c3ccccc3)cc2)nc1-c1ccccc1	ZINC000009668264	556305194	/nfs/dbraw/zinc/30/51/94/556305194.db2.gz	AINQIZUMLZNOCJ-LFVJCYFKSA-N	0	0	449.557	5.332	50	30		IKEARN
CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000009680335	556306141	/nfs/dbraw/zinc/30/61/41/556306141.db2.gz	VUZDVWRSUQXVCN-ZTOMLWHTSA-N	0	0	438.571	6.763	50	30		IKEARN
O=C(NCc1ccccc1Cl)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000013774887	556306965	/nfs/dbraw/zinc/30/69/65/556306965.db2.gz	NOTXZCDNUOGNER-UHFFFAOYSA-N	0	0	444.734	5.178	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1	ZINC000009805265	556309439	/nfs/dbraw/zinc/30/94/39/556309439.db2.gz	DLMCFGIKAGDIIT-KCWXNJEJSA-N	0	0	438.571	6.762	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1	ZINC000009850169	556313843	/nfs/dbraw/zinc/31/38/43/556313843.db2.gz	ARGFITARBFZFAY-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1	ZINC000009892552	556315581	/nfs/dbraw/zinc/31/55/81/556315581.db2.gz	NXWHGINPEJOMID-JOCHJYFZSA-N	0	0	437.370	6.919	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC	ZINC000009972233	556319484	/nfs/dbraw/zinc/31/94/84/556319484.db2.gz	VOONULXUNBRPOD-ODCWNRFASA-N	0	0	446.503	5.285	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1	ZINC000009972251	556319689	/nfs/dbraw/zinc/31/96/89/556319689.db2.gz	FYCTYEMAPAOEEF-UZTOHYMASA-N	0	0	427.523	5.871	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)cc1	ZINC000009972252	556319727	/nfs/dbraw/zinc/31/97/27/556319727.db2.gz	FYCTYEMAPAOEEF-PPHZAIPVSA-N	0	0	427.523	5.871	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009993320	556320195	/nfs/dbraw/zinc/32/01/95/556320195.db2.gz	JRZVUVPVECGDJQ-NRFANRHFSA-N	0	0	442.496	5.088	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3/C=C/c3ccccc3)C2)cc1	ZINC000010035376	556323021	/nfs/dbraw/zinc/32/30/21/556323021.db2.gz	LFSSYFWGTHSGLA-YBVOJRRTSA-N	0	0	447.538	6.126	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1	ZINC000010059675	556324046	/nfs/dbraw/zinc/32/40/46/556324046.db2.gz	FTQRSPSNNSZBAA-JOCHJYFZSA-N	0	0	430.577	5.537	50	30		IKEARN
C=CCc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O	ZINC000013895709	556328973	/nfs/dbraw/zinc/32/89/73/556328973.db2.gz	JACQLCOQEXLMCM-KFLOGIKRSA-N	0	0	448.588	6.066	50	30		IKEARN
Clc1ccc(C=NN=c2cc(N3CCCCC3)[nH]c(N3CCCCC3)n2)c(Cl)c1	ZINC000013896295	556329646	/nfs/dbraw/zinc/32/96/46/556329646.db2.gz	RAPFYZQGSFHFIZ-BUVRLJJBSA-N	0	0	433.387	5.210	50	30		IKEARN
C/C(=N\Nc1ncc(-c2cc3ccccc3oc2=O)s1)c1ccc(Br)cc1	ZINC000013897737	556330198	/nfs/dbraw/zinc/33/01/98/556330198.db2.gz	BMVQXHUVNNIEMB-FSJBWODESA-N	0	0	440.322	5.515	50	30		IKEARN
O=C(Oc1cc(Cl)ccc1Cl)c1ccc(/C=N/c2ccc3c4c(cccc42)CC3)cc1	ZINC000004480612	556333969	/nfs/dbraw/zinc/33/39/69/556333969.db2.gz	XPXAAQSWROTXDO-WKULSOCRSA-N	0	0	446.333	7.215	50	30		IKEARN
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccc(C)c(C)c1	ZINC000013940684	556337946	/nfs/dbraw/zinc/33/79/46/556337946.db2.gz	KBQANRFRCMGRBN-YZSQISJMSA-N	0	0	449.507	5.514	50	30		IKEARN
Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=NN=c2[nH]c3ccccc3s2)cc1	ZINC000013942258	556339354	/nfs/dbraw/zinc/33/93/54/556339354.db2.gz	UPIASSOMIORTSM-BUVRLJJBSA-N	0	0	448.504	5.417	50	30		IKEARN
COc1cc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)ccc1CSc1ccccc1	ZINC000013960091	556346902	/nfs/dbraw/zinc/34/69/02/556346902.db2.gz	MCXHJECOEGPMSD-GZTJUZNOSA-N	0	0	443.612	6.874	50	30		IKEARN
CCOc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1	ZINC000014008683	556353837	/nfs/dbraw/zinc/35/38/37/556353837.db2.gz	CPOPIBIRDYNDEI-DEDYPNTBSA-N	0	0	435.461	5.145	50	30		IKEARN
Cc1cccc(COc2ccccc2/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)c1	ZINC000014010256	556354812	/nfs/dbraw/zinc/35/48/12/556354812.db2.gz	PXNFAZOJKPAVLI-HMAPJEAMSA-N	0	0	434.948	6.119	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2OC)c2nc3ccccc3o2)cc1	ZINC000011990824	556383928	/nfs/dbraw/zinc/38/39/28/556383928.db2.gz	MJVGCASUFYZVOJ-JWGURIENSA-N	0	0	443.499	6.057	50	30		IKEARN
Cc1ccc(C(=O)Nc2s/c(=N\N=C/c3ccccc3)n(C)c2-c2ccccc2)cc1	ZINC000032623439	556410664	/nfs/dbraw/zinc/41/06/64/556410664.db2.gz	PVLYLXPPNYOSTE-CIPAVPIUSA-N	0	0	426.545	5.249	50	30		IKEARN
Cc1ccc(Sc2nc3ccccc3nc2[C@@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000032828853	556413331	/nfs/dbraw/zinc/41/33/31/556413331.db2.gz	HYCGMZNNNSECJW-OAQYLSRUSA-N	0	0	449.532	5.267	50	30		IKEARN
C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccncc1	ZINC000004391010	556414863	/nfs/dbraw/zinc/41/48/63/556414863.db2.gz	ZLPTYRIONGZORI-UHFFFAOYSA-N	0	0	437.528	5.186	50	30		IKEARN
C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)s1	ZINC000032674113	556415049	/nfs/dbraw/zinc/41/50/49/556415049.db2.gz	USWIRWXAGZFVBL-UHFFFAOYSA-N	0	0	448.664	5.948	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@H]2c1ccccc1	ZINC000014605393	556429229	/nfs/dbraw/zinc/42/92/29/556429229.db2.gz	LGPDOZODHGTGEC-MHZLTWQESA-N	0	0	443.591	5.362	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)Cn1c3ccccc3nc1NCc1ccccc1)CCCC2	ZINC000032957803	556444278	/nfs/dbraw/zinc/44/42/78/556444278.db2.gz	CMVTYPHNCXKARW-UHFFFAOYSA-N	0	0	441.560	5.099	50	30		IKEARN
O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000015015421	556484787	/nfs/dbraw/zinc/48/47/87/556484787.db2.gz	VSXMJSFBNLNLBA-JQEKIWFTSA-N	0	0	442.456	5.375	50	30		IKEARN
Cc1c(Cl)cccc1-c1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)o1	ZINC000015015829	556485129	/nfs/dbraw/zinc/48/51/29/556485129.db2.gz	VTEIFAQAWSKGIB-ODLFYWEKSA-N	0	0	429.328	6.453	50	30		IKEARN
COc1c(Br)cc(Cl)cc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O	ZINC000015015945	556485149	/nfs/dbraw/zinc/48/51/49/556485149.db2.gz	JNNFIDMOJUQCPP-AUWJEWJLSA-N	0	0	441.709	5.142	50	30		IKEARN
O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1/N=C/c1c(F)cccc1Cl	ZINC000015016614	556485813	/nfs/dbraw/zinc/48/58/13/556485813.db2.gz	AEVRAICOCQWWTI-CRDRIZJUSA-N	0	0	429.300	5.507	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OC)c1OC	ZINC000015018314	556486854	/nfs/dbraw/zinc/48/68/54/556486854.db2.gz	YTGHUEQUAJYCOS-NEYVJZCZSA-N	0	0	446.528	5.521	50	30		IKEARN
CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000015018650	556487150	/nfs/dbraw/zinc/48/71/50/556487150.db2.gz	RHNBRQVHDQNTMP-UCQKPKSFSA-N	0	0	433.485	5.902	50	30		IKEARN
COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccccc1C#N	ZINC000030743249	556502892	/nfs/dbraw/zinc/50/28/92/556502892.db2.gz	FJEXZUWFVLGWPA-QFEZKATASA-N	0	0	436.309	5.354	50	30		IKEARN
COc1ccc(/C=N/c2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c2C#N)cc1	ZINC000015219416	556511816	/nfs/dbraw/zinc/51/18/16/556511816.db2.gz	RUPLGVSGZVWVJE-STBIYBPSSA-N	0	0	438.483	6.262	50	30		IKEARN
O=C1ON=C(c2ccccc2)/C1=C1/c2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O	ZINC000015228612	556512761	/nfs/dbraw/zinc/51/27/61/556512761.db2.gz	CGCGMPNYGSGUBN-QZQOTICOSA-N	0	0	449.293	5.255	50	30		IKEARN
FC(F)(F)c1cccc(NC2=NC(=S)N(c3cccc(Cl)c3)C23CCCCC3)c1	ZINC000003090111	556519128	/nfs/dbraw/zinc/51/91/28/556519128.db2.gz	CUDHBYNTUPOPEX-UHFFFAOYSA-N	0	0	437.918	6.898	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c1	ZINC000003090368	556519216	/nfs/dbraw/zinc/51/92/16/556519216.db2.gz	BZSVCFWSNAUDSL-PGGKNCGUSA-N	0	0	429.181	6.931	50	30		IKEARN
Cc1ccc(/N=C/c2c(OC(=O)c3cccc4ccccc43)ccc3ccccc32)cc1C	ZINC000003088619	556519668	/nfs/dbraw/zinc/51/96/68/556519668.db2.gz	XZOFNVFGNLQSTF-ZCTHSVRISA-N	0	0	429.519	7.580	50	30		IKEARN
N#Cc1ccc(CSc2nc3nc(-c4cccs4)cc(C(F)(F)F)c3c(=O)[nH]2)cc1	ZINC000015481539	556530077	/nfs/dbraw/zinc/53/00/77/556530077.db2.gz	BOYBLBQOIKLUIQ-UHFFFAOYSA-N	0	0	444.463	5.229	50	30		IKEARN
COc1ccc(Br)cc1C=Nn1c(=S)[n-]nc1-c1cccc(OC(C)C)c1	ZINC000032577089	556540800	/nfs/dbraw/zinc/54/08/00/556540800.db2.gz	VFRUECJFSZJOAM-NHDPSOOVSA-N	0	0	447.358	5.048	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)c(OC)c1	ZINC000015659925	556541528	/nfs/dbraw/zinc/54/15/28/556541528.db2.gz	TXLGTBYZHLTLKB-KAMYIIQDSA-N	0	0	425.484	5.417	50	30		IKEARN
O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1	ZINC000032625324	556542980	/nfs/dbraw/zinc/54/29/80/556542980.db2.gz	BXODHCGWTZBGSM-WGARJPEWSA-N	0	0	425.879	5.238	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000032905216	556547838	/nfs/dbraw/zinc/54/78/38/556547838.db2.gz	MZZSQSOJWBGNTG-UHFFFAOYSA-N	0	0	431.520	5.757	50	30		IKEARN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000015821353	556553622	/nfs/dbraw/zinc/55/36/22/556553622.db2.gz	ZBWRMHOZDPBWOD-RUZDIDTESA-N	0	0	439.471	5.416	50	30		IKEARN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1	ZINC000015826289	556554193	/nfs/dbraw/zinc/55/41/93/556554193.db2.gz	CHUMWJBCGUVNFZ-RUZDIDTESA-N	0	0	442.584	6.513	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)c(OC)c1	ZINC000033354461	556562899	/nfs/dbraw/zinc/56/28/99/556562899.db2.gz	PCKPVKZZOZXQQP-UHFFFAOYSA-N	0	0	448.692	8.087	50	30		IKEARN
CC1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1	ZINC000015911969	556563139	/nfs/dbraw/zinc/56/31/39/556563139.db2.gz	LPROPTXJOKMABJ-QHCPKHFHSA-N	0	0	432.907	5.430	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Cl)c1	ZINC000015945262	556566617	/nfs/dbraw/zinc/56/66/17/556566617.db2.gz	ZJZNRZDTSJKFGU-QUOYTPRUSA-N	0	0	429.998	6.114	50	30		IKEARN
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1OC	ZINC000015945637	556566815	/nfs/dbraw/zinc/56/68/15/556566815.db2.gz	AMYYCOKFDKMRSX-DHRITJCHSA-N	0	0	440.952	5.910	50	30		IKEARN
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)c1	ZINC000015945639	556566874	/nfs/dbraw/zinc/56/68/74/556566874.db2.gz	MWDKQSAFCGSWIO-DHRITJCHSA-N	0	0	440.952	5.910	50	30		IKEARN
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)c1	ZINC000015946425	556567358	/nfs/dbraw/zinc/56/73/58/556567358.db2.gz	UJOSRMYCDNUJKD-JFLMPSFJSA-N	0	0	448.588	6.264	50	30		IKEARN
CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000015986526	556571143	/nfs/dbraw/zinc/57/11/43/556571143.db2.gz	OWBMTJJHYMBJEF-HPNDGRJYSA-N	0	0	447.951	5.694	50	30		IKEARN
CN(C)C(=O)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000016163061	556586695	/nfs/dbraw/zinc/58/66/95/556586695.db2.gz	VOQLMDVYDIFDIX-CVXQDMMISA-N	0	0	443.528	5.556	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(C)cc1	ZINC000016185223	556587713	/nfs/dbraw/zinc/58/77/13/556587713.db2.gz	NJJUIYSQGVOAJM-YJOHERITSA-N	0	0	444.025	6.423	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c1C	ZINC000032971635	556589496	/nfs/dbraw/zinc/58/94/96/556589496.db2.gz	CUAHRBPCUVPANJ-UHFFFAOYSA-N	0	0	445.611	5.524	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(C)c(C)c2)NCc2c(C)nn(CC)c2C)c1	ZINC000032971765	556589614	/nfs/dbraw/zinc/58/96/14/556589614.db2.gz	YVPWJDTWKZQNEQ-UHFFFAOYSA-N	0	0	431.584	5.097	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccc(C)c(C)c1)NCc1c(C)nn(CC)c1C	ZINC000032971770	556589860	/nfs/dbraw/zinc/58/98/60/556589860.db2.gz	MEWVOPPHLUNDNK-UHFFFAOYSA-N	0	0	431.584	5.097	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c1C	ZINC000032971774	556589878	/nfs/dbraw/zinc/58/98/78/556589878.db2.gz	LEPARVJZIBLSCY-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c1C	ZINC000032971922	556590559	/nfs/dbraw/zinc/59/05/59/556590559.db2.gz	ZVKBBFZRCRPZRU-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1ccc(C(C)C)cc1	ZINC000032972399	556590563	/nfs/dbraw/zinc/59/05/63/556590563.db2.gz	GKSAOGOZDJNWEA-UHFFFAOYSA-N	0	0	431.584	5.175	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c(C)n1	ZINC000032973023	556591986	/nfs/dbraw/zinc/59/19/86/556591986.db2.gz	PRPYKOINHFNPGM-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)cc(C)c2)c(C)n1	ZINC000032973009	556592011	/nfs/dbraw/zinc/59/20/11/556592011.db2.gz	LVKIKEDJFSHULX-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972919	556592666	/nfs/dbraw/zinc/59/26/66/556592666.db2.gz	AUGHCYBHAAIANF-UHFFFAOYSA-N	0	0	431.584	5.431	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2	ZINC000016293763	556598683	/nfs/dbraw/zinc/59/86/83/556598683.db2.gz	NYOLGTHMWYXCMV-CJAUYULYSA-N	0	0	449.522	5.149	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000016294162	556598861	/nfs/dbraw/zinc/59/88/61/556598861.db2.gz	YDGAXONAICYVCT-OAQYLSRUSA-N	0	0	426.438	5.312	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1	ZINC000016294221	556598911	/nfs/dbraw/zinc/59/89/11/556598911.db2.gz	OYBXZWOJWFPKQS-SIBVEZHUSA-N	0	0	443.499	5.286	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2ccc(OC(F)(F)F)cc2)c2ccccc2S1(=O)=O	ZINC000032984137	556603242	/nfs/dbraw/zinc/60/32/42/556603242.db2.gz	HMRCKELTUPPPSK-UHFFFAOYSA-N	0	0	445.418	5.235	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2ccc(Br)cc2)c2ccccc2S1(=O)=O	ZINC000032984134	556603279	/nfs/dbraw/zinc/60/32/79/556603279.db2.gz	WUKWXKLMSIAXRH-UHFFFAOYSA-N	0	0	440.318	5.099	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(Cl)cc2)c2ccccc2S1(=O)=O	ZINC000032984244	556603611	/nfs/dbraw/zinc/60/36/11/556603611.db2.gz	LKXLXTDUVQPNGD-UHFFFAOYSA-N	0	0	430.312	5.643	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984460	556603808	/nfs/dbraw/zinc/60/38/08/556603808.db2.gz	SSTBRFMGUOPBHP-UHFFFAOYSA-N	0	0	441.455	5.013	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3cccc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984439	556603839	/nfs/dbraw/zinc/60/38/39/556603839.db2.gz	SSEWKPMTNKQCAO-UHFFFAOYSA-N	0	0	437.492	5.183	50	30		IKEARN
CCOc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccccc32)cc1	ZINC000032984261	556604059	/nfs/dbraw/zinc/60/40/59/556604059.db2.gz	YCLRVEPDEZWWQZ-UHFFFAOYSA-N	0	0	433.529	5.352	50	30		IKEARN
CSc1cccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984348	556604245	/nfs/dbraw/zinc/60/42/45/556604245.db2.gz	DIJQUMWWSHQEPK-UHFFFAOYSA-N	0	0	439.533	5.506	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984358	556604328	/nfs/dbraw/zinc/60/43/28/556604328.db2.gz	CAHIRNJGVUNVTF-UHFFFAOYSA-N	0	0	427.884	5.437	50	30		IKEARN
CCOc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000016393246	556604744	/nfs/dbraw/zinc/60/47/44/556604744.db2.gz	SUMCZHBAUZFVPT-RUZDIDTESA-N	0	0	427.500	5.728	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2	ZINC000032997077	556609205	/nfs/dbraw/zinc/60/92/05/556609205.db2.gz	NKUZGTZAGUXRPV-QHCPKHFHSA-N	0	0	445.548	5.137	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2	ZINC000032997099	556609215	/nfs/dbraw/zinc/60/92/15/556609215.db2.gz	HNKVCEJYWCIEKT-QHCPKHFHSA-N	0	0	445.548	5.137	50	30		IKEARN
O=C1/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000016451095	556609458	/nfs/dbraw/zinc/60/94/58/556609458.db2.gz	DWAQYJZMXFBFCW-PIDRKRQWSA-N	0	0	440.499	6.894	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2ccccc2OCc2cccc3ccccc32)c(F)c1F	ZINC000016526330	556614318	/nfs/dbraw/zinc/61/43/18/556614318.db2.gz	RWABNOMBBMAZOF-PNQUVVCRSA-N	0	0	442.387	6.560	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(-c3ccccc3)cc2)cc1	ZINC000016527514	556614335	/nfs/dbraw/zinc/61/43/35/556614335.db2.gz	URVROLGYPGPCLQ-NDEPHWFRSA-N	0	0	448.566	6.269	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1	ZINC000032916756	556615650	/nfs/dbraw/zinc/61/56/50/556615650.db2.gz	ZEAPQUSEFZZJJT-CIAFOILYSA-N	0	0	433.489	5.672	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000016662412	556621212	/nfs/dbraw/zinc/62/12/12/556621212.db2.gz	QZFGQBJWAPWRSN-HXEHVNBISA-N	0	0	425.340	6.802	50	30		IKEARN
Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1	ZINC000016667372	556621668	/nfs/dbraw/zinc/62/16/68/556621668.db2.gz	AXWIXMAJZRTHCP-HNLAZJLASA-N	0	0	442.562	7.247	50	30		IKEARN
FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccc(Cl)cc2Cl)n1	ZINC000033714395	556626041	/nfs/dbraw/zinc/62/60/41/556626041.db2.gz	ZAPIHSXMNPLXBY-MWYAZZEHSA-N	0	0	445.659	6.569	50	30		IKEARN
Cc1cccc(C(=O)Oc2ccc(/C=C3\S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1	ZINC000033753117	556630158	/nfs/dbraw/zinc/63/01/58/556630158.db2.gz	NCAJCPAGPUCZPF-STZFKDTASA-N	0	0	448.931	5.759	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1Cl	ZINC000033753141	556630194	/nfs/dbraw/zinc/63/01/94/556630194.db2.gz	PPPUKZBDLULFAN-MBXJOHMKSA-N	0	0	431.290	6.616	50	30		IKEARN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000016737287	556633914	/nfs/dbraw/zinc/63/39/14/556633914.db2.gz	QDHOQDLLPRIKRU-HXUWFJFHSA-N	0	0	436.533	5.255	50	30		IKEARN
O=C(/C=C/N1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC(F)F)cc1	ZINC000033796080	556636154	/nfs/dbraw/zinc/63/61/54/556636154.db2.gz	FZZBIPFGOQZEFL-CMDGGOBGSA-N	0	0	441.305	5.109	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(F)cc2)cc1C	ZINC000016804837	556643109	/nfs/dbraw/zinc/64/31/09/556643109.db2.gz	KQZBNVXCBKXCQO-HSZRJFAPSA-N	0	0	446.478	5.101	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccccc2/C=C2\Oc3ccc(Br)cc3C2=O)cc1	ZINC000016805793	556643705	/nfs/dbraw/zinc/64/37/05/556643705.db2.gz	VANFNKDQUAZNRP-MTJSOVHGSA-N	0	0	435.273	5.593	50	30		IKEARN
CCOC(=O)Nc1sc(N=NCc2c(F)cccc2Cl)nc1-c1ccc(C)cc1	ZINC000016806345	556644004	/nfs/dbraw/zinc/64/40/04/556644004.db2.gz	SIZRNUYBTKVPOE-FOKLQQMPSA-N	0	0	432.908	5.925	50	30		IKEARN
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016807392	556644396	/nfs/dbraw/zinc/64/43/96/556644396.db2.gz	QTVGNHNGDIGMKF-IBGZPJMESA-N	0	0	437.609	5.596	50	30		IKEARN
COc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000016953602	556650058	/nfs/dbraw/zinc/65/00/58/556650058.db2.gz	IXJRHWWCUQQFOC-FQEVSTJZSA-N	0	0	445.544	5.048	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1	ZINC000017028617	556653559	/nfs/dbraw/zinc/65/35/59/556653559.db2.gz	MZMZUYCKJBITOA-RUZDIDTESA-N	0	0	436.983	6.673	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000017028046	556653639	/nfs/dbraw/zinc/65/36/39/556653639.db2.gz	SDWFGQVANVRFCC-AREMUKBSSA-N	0	0	432.564	5.884	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccccc1	ZINC000017044107	556654091	/nfs/dbraw/zinc/65/40/91/556654091.db2.gz	MMIBLOSSVCAZDX-PPHZAIPVSA-N	0	0	426.491	5.746	50	30		IKEARN
C=C(C)COc1ccc2c(c1)oc(C(F)(F)F)c(-c1ccc(Br)cc1)c2=O	ZINC000011865235	556664354	/nfs/dbraw/zinc/66/43/54/556664354.db2.gz	HNGSXPLIYWBACR-UHFFFAOYSA-N	0	0	439.227	6.196	50	30		IKEARN
C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccccc2OC)c(O)c1	ZINC000011865069	556664564	/nfs/dbraw/zinc/66/45/64/556664564.db2.gz	FRRRHEVSVKWAKH-UHFFFAOYSA-N	0	0	431.414	5.081	50	30		IKEARN
Cc1cc(O)c2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1	ZINC000011865306	556664618	/nfs/dbraw/zinc/66/46/18/556664618.db2.gz	DQRZRTXJAUFKER-UHFFFAOYSA-N	0	0	446.450	5.264	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)cc(OC)c1OC	ZINC000011868675	556667611	/nfs/dbraw/zinc/66/76/11/556667611.db2.gz	JXLWRKRYUVMCJI-JJFYIABZSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Br)cc2)c1CCC(C)C	ZINC000017124847	556668961	/nfs/dbraw/zinc/66/89/61/556668961.db2.gz	RJKPAXCXLFYFCT-UHFFFAOYSA-N	0	0	447.380	6.762	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1	ZINC000017299288	556674845	/nfs/dbraw/zinc/67/48/45/556674845.db2.gz	IKAYYSYGCHKPAB-WBOGVSQLSA-N	0	0	443.716	6.987	50	30		IKEARN
C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1cc(-c2ccc(OC)cc2)no1	ZINC000010619970	556676657	/nfs/dbraw/zinc/67/66/57/556676657.db2.gz	DPRWCSBQTSJNDX-UHFFFAOYSA-N	0	0	439.924	5.192	50	30		IKEARN
N#Cc1ccc(CN(Cn2nc(-c3cccs3)n(C3CC3)c2=S)CC(F)(F)F)cc1	ZINC000032935370	556678065	/nfs/dbraw/zinc/67/80/65/556678065.db2.gz	JFNGODVNWINSMW-UHFFFAOYSA-N	0	0	449.527	5.371	50	30		IKEARN
Clc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1	ZINC000017952025	556680457	/nfs/dbraw/zinc/68/04/57/556680457.db2.gz	IZKKTDYBAJIIHM-GFTXTJKWSA-N	0	0	443.377	8.085	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1	ZINC000018068443	556682664	/nfs/dbraw/zinc/68/26/64/556682664.db2.gz	BFVILGZACDUFHH-DCFHFQCYSA-N	0	0	438.527	5.899	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000018116550	556684110	/nfs/dbraw/zinc/68/41/10/556684110.db2.gz	LFYMAAVEQYMJLZ-RUZDIDTESA-N	0	0	447.535	5.928	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000018107335	556684235	/nfs/dbraw/zinc/68/42/35/556684235.db2.gz	AGSJCDZPIJHFJN-JOCHJYFZSA-N	0	0	429.347	6.156	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1	ZINC000018143244	556684949	/nfs/dbraw/zinc/68/49/49/556684949.db2.gz	GDCZHXZFINBTRP-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)cc1	ZINC000018143246	556684983	/nfs/dbraw/zinc/68/49/83/556684983.db2.gz	GDCZHXZFINBTRP-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cc(Br)ccc3F)C12	ZINC000018180988	556685877	/nfs/dbraw/zinc/68/58/77/556685877.db2.gz	QVMHTKLJLLFRFP-JOCHJYFZSA-N	0	0	438.321	6.455	50	30		IKEARN
CC(C)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000018195455	556686319	/nfs/dbraw/zinc/68/63/19/556686319.db2.gz	OEXREUAVLDQMGN-QFIPXVFZSA-N	0	0	427.548	5.902	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1	ZINC000018254794	556688399	/nfs/dbraw/zinc/68/83/99/556688399.db2.gz	NFTDSZCSHRANEX-UDWIEESQSA-N	0	0	435.461	5.063	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(Cl)c1	ZINC000003115243	556688397	/nfs/dbraw/zinc/68/83/97/556688397.db2.gz	SPTVDLPIDMWSGO-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	ZINC000018254904	556688450	/nfs/dbraw/zinc/68/84/50/556688450.db2.gz	GQUOAFODXSIJIZ-WOJGMQOQSA-N	0	0	443.297	5.740	50	30		IKEARN
COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1	ZINC000018323791	556689322	/nfs/dbraw/zinc/68/93/22/556689322.db2.gz	PCKKWYMEJUDDQQ-XMMPIXPASA-N	0	0	446.547	5.272	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1	ZINC000018286047	556689382	/nfs/dbraw/zinc/68/93/82/556689382.db2.gz	HPNULZLDPIMLNF-QLXKLKPCSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1	ZINC000018286041	556689471	/nfs/dbraw/zinc/68/94/71/556689471.db2.gz	HPNULZLDPIMLNF-MRDQGFSESA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccccc3)C2)cc1	ZINC000018324468	556689679	/nfs/dbraw/zinc/68/96/79/556689679.db2.gz	CHAKSZGALGQIOW-PIKZIKFNSA-N	0	0	438.527	5.616	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2	ZINC000003461825	556697653	/nfs/dbraw/zinc/69/76/53/556697653.db2.gz	LKOLIWPFEGPTIO-HNNXBMFYSA-N	0	0	433.356	5.144	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2	ZINC000033026466	556703613	/nfs/dbraw/zinc/70/36/13/556703613.db2.gz	AKLUZVOIEKVLJU-ZSEKCTLFSA-N	0	0	441.314	5.954	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C[C@H]21	ZINC000013635529	556705394	/nfs/dbraw/zinc/70/53/94/556705394.db2.gz	CAYPLBWXIOMWFB-ISJGIBHGSA-N	0	0	437.449	5.249	50	30		IKEARN
CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000073658738	556707814	/nfs/dbraw/zinc/70/78/14/556707814.db2.gz	DOMWKUIIPQCAJU-OUBOFRHOSA-N	0	0	428.613	5.970	50	30		IKEARN
CC1(C)CC(=O)[C@H]([C@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1	ZINC000005180182	556721996	/nfs/dbraw/zinc/72/19/96/556721996.db2.gz	BSMWLMCESYEKFA-ZZTDIAQISA-N	0	0	426.560	6.061	50	30		IKEARN
C=CCN(CC(=O)N(Cc1cccs1)Cc1ccccc1)C(=O)Nc1cccc(OC)c1	ZINC000033914459	556723755	/nfs/dbraw/zinc/72/37/55/556723755.db2.gz	LEMRLZBCLFPCCM-UHFFFAOYSA-N	0	0	449.576	5.006	50	30		IKEARN
O=C(/C=C\c1ccc2ncccc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000033921173	556731476	/nfs/dbraw/zinc/73/14/76/556731476.db2.gz	FXEHMRFQWCIMSC-LCYFTJDESA-N	0	0	436.898	6.293	50	30		IKEARN
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\S/C(=N/c4ccccc4)NC3=O)c2C)cc1	ZINC000013786136	556731740	/nfs/dbraw/zinc/73/17/40/556731740.db2.gz	RDXBLRRUYBTFEI-JCMHNJIXSA-N	0	0	445.544	5.162	50	30		IKEARN
CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000019314533	556735674	/nfs/dbraw/zinc/73/56/74/556735674.db2.gz	WGTIFUWEMHRDIA-GOSISDBHSA-N	0	0	432.358	5.006	50	30		IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl	ZINC000033957397	556746923	/nfs/dbraw/zinc/74/69/23/556746923.db2.gz	KAZZDRRNZVOQBJ-AEVCOSDWSA-N	0	0	441.402	7.030	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000019536144	556794050	/nfs/dbraw/zinc/79/40/50/556794050.db2.gz	YTSBKNUBBRGSOM-NRFANRHFSA-N	0	0	433.470	5.549	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535733	556794086	/nfs/dbraw/zinc/79/40/86/556794086.db2.gz	UXUBQWVFBCBFGT-OAQYLSRUSA-N	0	0	447.497	5.795	50	30		IKEARN
C=CCn1c(=O)c2ccccc2nc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	ZINC000002660623	556802925	/nfs/dbraw/zinc/80/29/25/556802925.db2.gz	LJJVMIRYOUTYQJ-QFIPXVFZSA-N	0	0	445.519	5.194	50	30		IKEARN
COc1ccc(-n2c(S[C@@H](C)C#N)nnc2-c2ccc(C(C)(C)C)cc2)cc1Cl	ZINC000003357462	556811428	/nfs/dbraw/zinc/81/14/28/556811428.db2.gz	SWXNINOWKRVFCJ-AWEZNQCLSA-N	0	0	426.973	5.898	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004635534	556811777	/nfs/dbraw/zinc/81/17/77/556811777.db2.gz	YODKLHFPZCJAOA-RUZDIDTESA-N	0	0	447.554	5.279	50	30		IKEARN
CCOc1cc(/C=C/C(=O)Oc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1	ZINC000003432853	556815497	/nfs/dbraw/zinc/81/54/97/556815497.db2.gz	MBUTYJJZRUZUQA-NTUHNPAUSA-N	0	0	447.462	5.173	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O	ZINC000003470744	556816321	/nfs/dbraw/zinc/81/63/21/556816321.db2.gz	BYOODFAOHSFYCL-HNNXBMFYSA-N	0	0	428.579	5.023	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000005547978	556823098	/nfs/dbraw/zinc/82/30/98/556823098.db2.gz	HFDROJLHVNYNGZ-MOHJPFBDSA-N	0	0	425.528	7.164	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005570539	556826414	/nfs/dbraw/zinc/82/64/14/556826414.db2.gz	ILVTYODCIRQXFS-XMMPIXPASA-N	0	0	426.564	5.447	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000019630398	556832324	/nfs/dbraw/zinc/83/23/24/556832324.db2.gz	VSKLXCJSVVBUIF-CMJOXMDJSA-N	0	0	439.602	5.657	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	ZINC000097946014	556833180	/nfs/dbraw/zinc/83/31/80/556833180.db2.gz	KBHLWPHKHGBRGO-PTGBLXJZSA-N	0	0	439.646	6.827	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000019635432	556834808	/nfs/dbraw/zinc/83/48/08/556834808.db2.gz	GJXNZLWSOVVDNT-IVZQSRNASA-N	0	0	442.342	5.528	50	30		IKEARN
C=CCn1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21	ZINC000096609583	556837574	/nfs/dbraw/zinc/83/75/74/556837574.db2.gz	FKXSELWWZVAVTQ-ZBNITPKASA-N	0	0	445.544	5.238	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000019643774	556838490	/nfs/dbraw/zinc/83/84/90/556838490.db2.gz	VYWAPTRTHADXDU-SANMLTNESA-N	0	0	445.559	5.433	50	30		IKEARN
CC(C)COc1ccc(Cl)cc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1	ZINC000019645717	556840081	/nfs/dbraw/zinc/84/00/81/556840081.db2.gz	LBKMJNJDCYLPPQ-BRJLIKDPSA-N	0	0	447.387	7.093	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@@H](O)C(=O)NCCC#N	ZINC000097949437	556840342	/nfs/dbraw/zinc/84/03/42/556840342.db2.gz	BUAOZWHUTYXTJD-QHCPKHFHSA-N	0	0	438.653	5.428	50	30		IKEARN
CCCCCCCN1C(=O)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccccc2)C1(C)C	ZINC000097949746	556840624	/nfs/dbraw/zinc/84/06/24/556840624.db2.gz	ZBSPOWLAHFWGDR-JOCHJYFZSA-N	0	0	438.572	5.927	50	30		IKEARN
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000019685816	556841810	/nfs/dbraw/zinc/84/18/10/556841810.db2.gz	LBERVHLCXUMDOT-MPZZESAYSA-N	0	0	442.684	7.571	50	30	in-man	IKEARN
C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1	ZINC000096803784	556846368	/nfs/dbraw/zinc/84/63/68/556846368.db2.gz	JDVSIHZJXICDCV-MMDHUZEPSA-N	0	0	447.585	5.722	50	30		IKEARN
CCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3	ZINC000097950478	556848574	/nfs/dbraw/zinc/84/85/74/556848574.db2.gz	RGYTZUZQNXIZMP-UHFFFAOYSA-N	0	0	443.682	7.106	50	30		IKEARN
CCCCCCCCCCCCCCCCSc1n[nH]c(CCCCCCCC)n1	ZINC000097951991	556848693	/nfs/dbraw/zinc/84/86/93/556848693.db2.gz	WIKSVOWMRBEWPX-UHFFFAOYSA-N	0	0	437.782	9.281	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CCN(C)C3	ZINC000097951208	556848839	/nfs/dbraw/zinc/84/88/39/556848839.db2.gz	DOUVWBOLMGILIQ-UHFFFAOYSA-N	0	0	441.666	5.806	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21	ZINC000097953008	556849942	/nfs/dbraw/zinc/84/99/42/556849942.db2.gz	NJVSFPJCRVXKEE-UHFFFAOYSA-N	0	0	430.552	5.900	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000097953097	556850002	/nfs/dbraw/zinc/85/00/02/556850002.db2.gz	ANAACCSZEJMXKT-UHFFFAOYSA-N	0	0	433.531	5.054	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12	ZINC000097953998	556850208	/nfs/dbraw/zinc/85/02/08/556850208.db2.gz	LNORPCKBEUJCKK-UHFFFAOYSA-N	0	0	444.579	6.407	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000097954403	556850433	/nfs/dbraw/zinc/85/04/33/556850433.db2.gz	GKYPMMOJAPYGJJ-OAQYLSRUSA-N	0	0	433.596	6.316	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(Br)cc1	ZINC000019721013	556876329	/nfs/dbraw/zinc/87/63/29/556876329.db2.gz	DGVQUIVMQBNTKQ-CTNGQTDRSA-N	0	0	434.333	5.491	50	30		IKEARN
N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)cc1	ZINC000033169233	556880557	/nfs/dbraw/zinc/88/05/57/556880557.db2.gz	ZAMYOWBJLXSHAN-UHFFFAOYSA-N	0	0	425.922	5.289	50	30		IKEARN
N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(Cl)cc4s3)cc2)c1	ZINC000033169251	556881844	/nfs/dbraw/zinc/88/18/44/556881844.db2.gz	NEUWUIUJEHDQIE-UHFFFAOYSA-N	0	0	425.922	5.289	50	30		IKEARN
COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1	ZINC000033248401	556889796	/nfs/dbraw/zinc/88/97/96/556889796.db2.gz	ICKQDWXVBXZGBR-RGEXLXHISA-N	0	0	443.593	6.810	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F	ZINC000019761925	556905958	/nfs/dbraw/zinc/90/59/58/556905958.db2.gz	VNVRIFOIKKKMRY-NYHFZMIOSA-N	0	0	425.887	5.014	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000019798087	556916438	/nfs/dbraw/zinc/91/64/38/556916438.db2.gz	AHEQYZLQQKFCNG-OAQYLSRUSA-N	0	0	434.363	5.837	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1	ZINC000019799461	556917016	/nfs/dbraw/zinc/91/70/16/556917016.db2.gz	WJGIWTPPFQCWIF-VWLOTQADSA-N	0	0	431.532	5.185	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1cccc(Br)c1	ZINC000019804929	556917934	/nfs/dbraw/zinc/91/79/34/556917934.db2.gz	NTAHEAFMDPYKQC-CTNGQTDRSA-N	0	0	434.333	5.491	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1	ZINC000019831168	556926530	/nfs/dbraw/zinc/92/65/30/556926530.db2.gz	HPZJEKCONPWXKY-HSZRJFAPSA-N	0	0	437.561	5.104	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000019832299	556927320	/nfs/dbraw/zinc/92/73/20/556927320.db2.gz	MPKUGXXCDXKNSL-JWMLTMDESA-N	0	0	430.529	5.826	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019832357	556927471	/nfs/dbraw/zinc/92/74/71/556927471.db2.gz	PDSNKZYSTISUEI-HOYKHHGWSA-N	0	0	435.951	5.653	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019832356	556927488	/nfs/dbraw/zinc/92/74/88/556927488.db2.gz	PDSNKZYSTISUEI-UUOWRZLLSA-N	0	0	435.951	5.653	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccc(Cl)cc4)CC3)ccc21	ZINC000019849098	556930484	/nfs/dbraw/zinc/93/04/84/556930484.db2.gz	UKLUKQFXADFNPT-MTDXEUNCSA-N	0	0	430.983	5.620	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)cc2)cc1	ZINC000019855368	556931525	/nfs/dbraw/zinc/93/15/25/556931525.db2.gz	JZVUAWGNWBCWQD-CLOONOSVSA-N	0	0	449.522	5.148	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000019867071	556934621	/nfs/dbraw/zinc/93/46/21/556934621.db2.gz	BVHGKMCFFRAWEG-KBMIEXCESA-N	0	0	431.532	5.008	50	30		IKEARN
CCc1ccc(-c2nnc(S/C(=N/Nc3ccccc3)C(=O)c3ccccc3)o2)cc1	ZINC000019879138	556936571	/nfs/dbraw/zinc/93/65/71/556936571.db2.gz	SLPRAXFPBGZDFL-SLEBQGDGSA-N	0	0	428.517	5.700	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(O)ccc5ccccc54)c3c2C1	ZINC000019893676	556939955	/nfs/dbraw/zinc/93/99/55/556939955.db2.gz	RJALSQWHMDZHMB-WODFAGORSA-N	0	0	444.604	6.537	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1	ZINC000019924557	556944670	/nfs/dbraw/zinc/94/46/70/556944670.db2.gz	PFEWZTWVQXTLCZ-OZHCYYCFSA-N	0	0	430.980	6.471	50	30		IKEARN
CC(C)CCOc1ccc(-c2nn(-c3ccccc3)cc2CN=Nc2ocnc2C#N)cc1	ZINC000019927861	556945735	/nfs/dbraw/zinc/94/57/35/556945735.db2.gz	NSDLJBYSUFIGNZ-RWPZCVJISA-N	0	0	440.507	5.270	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000097956237	556977290	/nfs/dbraw/zinc/97/72/90/556977290.db2.gz	AOIJPFSDOOPYTG-JOCHJYFZSA-N	0	0	447.623	6.706	50	30		IKEARN
C=CCOc1ccc(/C=C\C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC	ZINC000096983219	556978387	/nfs/dbraw/zinc/97/83/87/556978387.db2.gz	JGQMVRMZGQYQPF-YBEGLDIGSA-N	0	0	443.503	5.556	50	30		IKEARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	ZINC000097983966	556999308	/nfs/dbraw/zinc/99/93/08/556999308.db2.gz	MGSIGEHLSLXRAT-AWEZNQCLSA-N	0	0	431.254	5.830	50	30		IKEARN
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	ZINC000097983965	556999345	/nfs/dbraw/zinc/99/93/45/556999345.db2.gz	MGSIGEHLSLXRAT-CQSZACIVSA-N	0	0	431.254	5.830	50	30		IKEARN
CCCCCCCC1CCC(C(=O)NCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1	ZINC000097995701	557003485	/nfs/dbraw/zinc/00/34/85/557003485.db2.gz	YPDCKGKBVPDEJF-UHFFFAOYSA-N	0	0	430.589	5.085	50	30		IKEARN
CCCCCCCOc1ccc(OC(=O)c2ccc(C3CCC(CCC)CC3)cc2)cc1	ZINC000097997856	557004335	/nfs/dbraw/zinc/00/43/35/557004335.db2.gz	VGCHQMGVAOBQQT-UHFFFAOYSA-N	0	0	436.636	8.329	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21	ZINC000097998501	557004391	/nfs/dbraw/zinc/00/43/91/557004391.db2.gz	NVQXUTHHPKTCBU-UHFFFAOYSA-N	0	0	444.579	6.290	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(-c2ccccc2OC)c2nc3ccccc3nc21	ZINC000097998517	557005770	/nfs/dbraw/zinc/00/57/70/557005770.db2.gz	SNDHUFIRNBSPOZ-UHFFFAOYSA-N	0	0	446.551	5.682	50	30		IKEARN
CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)cn1	ZINC000013960151	557008724	/nfs/dbraw/zinc/00/87/24/557008724.db2.gz	FBGHOXLBRYRLJO-OAHLLOKOSA-N	0	0	441.560	5.428	50	30		IKEARN
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C\C(=O)OCc1cn2ccccc2c1C#N	ZINC000098002350	557012308	/nfs/dbraw/zinc/01/23/08/557012308.db2.gz	BBKKVOMIOPIKSB-KHPPLWFESA-N	0	0	444.922	5.083	50	30		IKEARN
CCCCCCCCS(=O)(=O)CCSCCS(=O)(=O)CCCCCCCC	ZINC000098008416	557016096	/nfs/dbraw/zinc/01/60/96/557016096.db2.gz	FKNXODVBDZUPGC-UHFFFAOYSA-N	0	0	442.753	5.270	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1	ZINC000032943142	557017196	/nfs/dbraw/zinc/01/71/96/557017196.db2.gz	YRACMCPUJLZHFR-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)cc1	ZINC000032943115	557017200	/nfs/dbraw/zinc/01/72/00/557017200.db2.gz	ACPOPYUGXCSKDK-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1	ZINC000032943167	557017222	/nfs/dbraw/zinc/01/72/22/557017222.db2.gz	YRDBUFZXLBCHJZ-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)cc1	ZINC000032943134	557017302	/nfs/dbraw/zinc/01/73/02/557017302.db2.gz	NYCJZCHVSASPPC-UHFFFAOYSA-N	0	0	440.547	5.234	50	30		IKEARN
CCOc1ccc(NC(=NC(=O)c2cccc(C)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943107	557017313	/nfs/dbraw/zinc/01/73/13/557017313.db2.gz	HTKXZIUYXCTPMW-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)c1	ZINC000032943249	557017990	/nfs/dbraw/zinc/01/79/90/557017990.db2.gz	GMDXXUGOGVASLS-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1c(Cl)cccc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12	ZINC000032943308	557018135	/nfs/dbraw/zinc/01/81/35/557018135.db2.gz	AREDKDORRNZUNU-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
CC(C)c1ccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943358	557018181	/nfs/dbraw/zinc/01/81/81/557018181.db2.gz	SCAXAAIZAFOSDR-UHFFFAOYSA-N	0	0	442.538	5.871	50	30		IKEARN
CC(C)c1ccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943368	557018243	/nfs/dbraw/zinc/01/82/43/557018243.db2.gz	BNBIJGVSSJYCCW-UHFFFAOYSA-N	0	0	442.538	5.871	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12	ZINC000032943386	557019171	/nfs/dbraw/zinc/01/91/71/557019171.db2.gz	ATHZGJDGYLFTJT-UHFFFAOYSA-N	0	0	444.966	5.824	50	30		IKEARN
COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1	ZINC000032943450	557019745	/nfs/dbraw/zinc/01/97/45/557019745.db2.gz	IABABZBSLXGFDL-UHFFFAOYSA-N	0	0	440.547	5.234	50	30		IKEARN
O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1)c1ccccc1	ZINC000032943460	557019756	/nfs/dbraw/zinc/01/97/56/557019756.db2.gz	CJRJAFLKKHQNHP-UHFFFAOYSA-N	0	0	434.902	5.401	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1	ZINC000098021294	557029142	/nfs/dbraw/zinc/02/91/42/557029142.db2.gz	BLVPXYUPLGJUBI-VWLOTQADSA-N	0	0	442.600	6.684	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1	ZINC000098021443	557029175	/nfs/dbraw/zinc/02/91/75/557029175.db2.gz	RKCZPVBTPGZZOU-XMMPIXPASA-N	0	0	428.573	6.293	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2cccc(C)c2)cc1	ZINC000098021564	557029411	/nfs/dbraw/zinc/02/94/11/557029411.db2.gz	OJFRVMAIXBHSEZ-SANMLTNESA-N	0	0	438.637	6.853	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2)cc1	ZINC000098021563	557029594	/nfs/dbraw/zinc/02/95/94/557029594.db2.gz	OJFRVMAIXBHSEZ-AREMUKBSSA-N	0	0	438.637	6.853	50	30		IKEARN
C=CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1ccoc1C	ZINC000032946271	557030843	/nfs/dbraw/zinc/03/08/43/557030843.db2.gz	KFXLDPURZGAPTH-OAHLLOKOSA-N	0	0	440.594	5.042	50	30		IKEARN
CCCCCCCOc1ccc(-c2noc(-c3ccc(CCCCCCC)cc3)n2)cc1	ZINC000098044769	557046029	/nfs/dbraw/zinc/04/60/29/557046029.db2.gz	ZIYBYCXHOMGSPQ-UHFFFAOYSA-N	0	0	434.624	8.266	50	30		IKEARN
CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)COC(=O)c1ccc(Cl)cc1	ZINC000006147157	557046629	/nfs/dbraw/zinc/04/66/29/557046629.db2.gz	YQXZMDREXDFLTM-HZHRSRAPSA-N	0	0	433.935	5.921	50	30		IKEARN
C=CCOc1cccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1	ZINC000033271543	557049506	/nfs/dbraw/zinc/04/95/06/557049506.db2.gz	GUTXDTFTBAZCKA-SFHVURJKSA-N	0	0	430.533	5.138	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1	ZINC000048262726	557049836	/nfs/dbraw/zinc/04/98/36/557049836.db2.gz	IESRTXRJDRIXBD-PKNBQFBNSA-N	0	0	438.321	5.442	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccccc3SC)cc2-c2ccccc2S1(=O)=O	ZINC000033271942	557050293	/nfs/dbraw/zinc/05/02/93/557050293.db2.gz	CRDSFSINGXCDHP-UHFFFAOYSA-N	0	0	436.558	5.023	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccccc3C(C)C)cc2-c2ccccc2S1(=O)=O	ZINC000033271934	557050437	/nfs/dbraw/zinc/05/04/37/557050437.db2.gz	ALVKECUAMFKAGC-UHFFFAOYSA-N	0	0	432.545	5.424	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)c(F)c1	ZINC000048252896	557052223	/nfs/dbraw/zinc/05/22/23/557052223.db2.gz	FXBUEFUQARJESE-VMPITWQZSA-N	0	0	446.305	6.125	50	30		IKEARN
N#Cc1ccc(N2CCC(C(=O)N(Cc3ccccc3)c3ccc(Cl)cc3)CC2)nc1	ZINC000048301368	557063032	/nfs/dbraw/zinc/06/30/32/557063032.db2.gz	GCSBXATUNMEBSE-UHFFFAOYSA-N	0	0	430.939	5.056	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)/C=C\c2ccc(Cl)cc2Cl)c(C#N)c1C	ZINC000033288744	557066119	/nfs/dbraw/zinc/06/61/19/557066119.db2.gz	VZCGBAQSCIXZDI-CLFYSBASSA-N	0	0	436.364	5.369	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1	ZINC000023358612	557086978	/nfs/dbraw/zinc/08/69/78/557086978.db2.gz	ZXYDPQJUMBBESA-ZEHKLFRWSA-N	0	0	441.600	6.641	50	30		IKEARN
COc1ccccc1/C=C\C(=O)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O	ZINC000097359917	557087818	/nfs/dbraw/zinc/08/78/18/557087818.db2.gz	DGBLIWLOEONNDJ-VKAVYKQESA-N	0	0	433.463	5.545	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321129	557106089	/nfs/dbraw/zinc/10/60/89/557106089.db2.gz	IPAYWZFNFRISSR-MZNJEOGPSA-N	0	0	446.503	5.054	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC	ZINC000033324897	557106918	/nfs/dbraw/zinc/10/69/18/557106918.db2.gz	BRUBXGKOVGUKFP-WNSKOXEYSA-N	0	0	434.467	5.098	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000033324920	557106975	/nfs/dbraw/zinc/10/69/75/557106975.db2.gz	FUGDOBUCZVYHSV-OYHNWAKOSA-N	0	0	436.895	5.309	50	30		IKEARN
C=CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21	ZINC000100060906	557110951	/nfs/dbraw/zinc/11/09/51/557110951.db2.gz	GCSOGIKNJZEHLY-ZEHKLFRWSA-N	0	0	441.600	6.764	50	30		IKEARN
CCCCCCCCOc1c2ccsc2c(OCCCCCCCC)c2ccsc21	ZINC000100070458	557110987	/nfs/dbraw/zinc/11/09/87/557110987.db2.gz	LWSGUMOETOXOHL-UHFFFAOYSA-N	0	0	446.722	9.595	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)c(C)c2)c1O	ZINC000098086864	557122951	/nfs/dbraw/zinc/12/29/51/557122951.db2.gz	LIGHNHBFIGLEST-SSDVNMTOSA-N	0	0	429.270	5.068	50	30		IKEARN
Cc1c(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)c2ccccc2n1C	ZINC000033347729	557122981	/nfs/dbraw/zinc/12/29/81/557122981.db2.gz	DBVAMRSOMAHRCU-ODLFYWEKSA-N	0	0	440.366	5.449	50	30		IKEARN
CCOc1ccc(/C=C2/S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12	ZINC000033347737	557123011	/nfs/dbraw/zinc/12/30/11/557123011.db2.gz	GZOSVDOXKZIIKG-CIAFOILYSA-N	0	0	438.936	5.792	50	30		IKEARN
O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl	ZINC000033347590	557123021	/nfs/dbraw/zinc/12/30/21/557123021.db2.gz	IUZVZCXMSWUNFC-RGVLZGJSSA-N	0	0	427.308	6.542	50	30		IKEARN
COc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(/C=N/c2ccc([N+](=O)[O-])cc2OC)cc1	ZINC000017822021	557124548	/nfs/dbraw/zinc/12/45/48/557124548.db2.gz	HFSFGVIBVDLEPX-RNIAWFEPSA-N	0	0	434.408	5.021	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004793609	557126482	/nfs/dbraw/zinc/12/64/82/557126482.db2.gz	FYDPMVYWMHCHNX-IBGZPJMESA-N	0	0	437.609	5.417	50	30		IKEARN
CCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000017918282	557128688	/nfs/dbraw/zinc/12/86/88/557128688.db2.gz	BZMWYDKERIYUOH-NLRVBDNBSA-N	0	0	432.593	6.222	50	30		IKEARN
Cc1ccc(-c2csc3ncnc(N4CCN([C@@H](C#N)c5ccc(F)cc5)CC4)c23)cc1	ZINC000023983739	557129517	/nfs/dbraw/zinc/12/95/17/557129517.db2.gz	XRKHPOPNBJWBCF-QFIPXVFZSA-N	0	0	443.551	5.193	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSCCNC(=O)Cc1ccccc1	ZINC000033354691	557130145	/nfs/dbraw/zinc/13/01/45/557130145.db2.gz	GTDXAFUXWCTPPT-UHFFFAOYSA-N	0	0	447.773	8.340	50	30		IKEARN
CCCCCCCCOC(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccccc1	ZINC000033354433	557130820	/nfs/dbraw/zinc/13/08/20/557130820.db2.gz	CVNMVWYEEXXDLC-QHCPKHFHSA-N	0	0	427.610	5.622	50	30	biogenic	IKEARN
CC[C@@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000000673078	557133510	/nfs/dbraw/zinc/13/35/10/557133510.db2.gz	PNXJNSIYRDXNJQ-QUGAMOGWSA-N	0	0	432.564	6.027	50	30		IKEARN
C=CCNc1nnc(SCc2csc(N(C(C)=O)c3cccc(Cl)c3)n2)s1	ZINC000011393321	557138943	/nfs/dbraw/zinc/13/89/43/557138943.db2.gz	QPSNPBAMUXDUFU-UHFFFAOYSA-N	0	0	438.003	5.223	50	30		IKEARN
Cc1ccc(-c2c(C#N)c(SCC(=O)NCc3ccccc3)nc3c2CCCC3)cc1	ZINC000000705938	557140047	/nfs/dbraw/zinc/14/00/47/557140047.db2.gz	WLSPLIQEIJDMQZ-UHFFFAOYSA-N	0	0	427.573	5.216	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1c[nH]nc1-c1ccc(F)cc1	ZINC000000718234	557148880	/nfs/dbraw/zinc/14/88/80/557148880.db2.gz	PDHZCNLVKYEUQO-DEOSSOPVSA-N	0	0	438.506	5.965	50	30		IKEARN
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000016393636	557150752	/nfs/dbraw/zinc/15/07/52/557150752.db2.gz	QBOBMTBXBZBAST-KOSHJBKYSA-N	0	0	441.556	5.143	50	30		IKEARN
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000016393638	557150839	/nfs/dbraw/zinc/15/08/39/557150839.db2.gz	QBOBMTBXBZBAST-MHECFPHRSA-N	0	0	441.556	5.143	50	30		IKEARN
COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1	ZINC000000726281	557150809	/nfs/dbraw/zinc/15/08/09/557150809.db2.gz	KAWAJSFDMRIBKZ-UHFFFAOYSA-N	0	0	429.545	5.238	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(I)(C(F)(F)F)C(F)(F)F	ZINC000095707805	557159969	/nfs/dbraw/zinc/15/99/69/557159969.db2.gz	PCOHEQOCJXXENZ-UHFFFAOYSA-N	0	0	445.944	5.118	50	30		IKEARN
CCOC(=O)c1cnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1C(F)(F)F	ZINC000095742542	557160618	/nfs/dbraw/zinc/16/06/18/557160618.db2.gz	JSIZAKUZTAJZFA-UHFFFAOYSA-N	0	0	447.257	5.453	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3	ZINC000000751990	557168240	/nfs/dbraw/zinc/16/82/40/557168240.db2.gz	JOIBVMCNLGRXAE-HSZRJFAPSA-N	0	0	442.606	5.365	50	30		IKEARN
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000000751971	557168263	/nfs/dbraw/zinc/16/82/63/557168263.db2.gz	YFZFDLMPFJTDOG-VWLOTQADSA-N	0	0	430.529	5.127	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3	ZINC000000751989	557168273	/nfs/dbraw/zinc/16/82/73/557168273.db2.gz	JOIBVMCNLGRXAE-QHCPKHFHSA-N	0	0	442.606	5.365	50	30		IKEARN
Clc1cccc2c(C#Cc3ccccc3)c3c(Cl)cccc3c(C#Cc3ccccc3)c12	ZINC000002559800	557173353	/nfs/dbraw/zinc/17/33/53/557173353.db2.gz	DCCXNTCSVXAHAN-UHFFFAOYSA-N	0	0	447.364	8.099	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1	ZINC000009327742	557186575	/nfs/dbraw/zinc/18/65/75/557186575.db2.gz	UNEXHPDHOVOIFP-UHFFFAOYSA-N	0	0	442.903	5.401	50	30		IKEARN
O=C(Nc1cccnc1)C(N=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1	ZINC000100843902	557191452	/nfs/dbraw/zinc/19/14/52/557191452.db2.gz	MAQGGHLEDDUYAG-MIXAMLLLSA-N	0	0	446.816	5.043	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	ZINC000100856196	557192688	/nfs/dbraw/zinc/19/26/88/557192688.db2.gz	NZBVUBDPWGGZOS-PYCFMQQDSA-N	0	0	425.619	6.832	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1	ZINC000100856280	557192786	/nfs/dbraw/zinc/19/27/86/557192786.db2.gz	KBHLWPHKHGBRGO-NKFKGCMQSA-N	0	0	439.646	6.827	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1	ZINC000100856154	557192792	/nfs/dbraw/zinc/19/27/92/557192792.db2.gz	IYJHWIVRTSHFPC-XLNRJJMWSA-N	0	0	443.609	6.971	50	30		IKEARN
O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c2ccccc2cc2ccccc21	ZINC000003174070	557192772	/nfs/dbraw/zinc/19/27/72/557192772.db2.gz	VTLQNOGJAOMSJU-WKULSOCRSA-N	0	0	431.520	6.314	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCc2[nH]c3ccc(F)cc3c2C1	ZINC000096281994	557193894	/nfs/dbraw/zinc/19/38/94/557193894.db2.gz	FGHOWGGHHSKNPT-UHFFFAOYSA-N	0	0	445.338	5.935	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@@H](C)c1ccc(CC(C)C)cc1	ZINC000100863961	557194741	/nfs/dbraw/zinc/19/47/41/557194741.db2.gz	NJXMPBSODVQNTN-VWLOTQADSA-N	0	0	432.696	8.917	50	30		IKEARN
C=CCn1c2ccc(C(=O)OC)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1	ZINC000100874232	557196772	/nfs/dbraw/zinc/19/67/72/557196772.db2.gz	ONZMMZBKGVAQRJ-QPLCGJKRSA-N	0	0	444.512	5.209	50	30		IKEARN
C=CCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1cccc(Oc2ccccc2)c1	ZINC000100875045	557197054	/nfs/dbraw/zinc/19/70/54/557197054.db2.gz	OFXBAEHIXKZWTK-QPLCGJKRSA-N	0	0	430.529	5.821	50	30		IKEARN
CCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1	ZINC000100884671	557198333	/nfs/dbraw/zinc/19/83/33/557198333.db2.gz	UOGNPLXRAUFTIC-QUPMIFSKSA-N	0	0	435.608	7.292	50	30		IKEARN
CCCCCCCCCCc1ccc(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)cc1	ZINC000100910984	557200013	/nfs/dbraw/zinc/20/00/13/557200013.db2.gz	XIJNPKLCLCFNPU-UHFFFAOYSA-N	0	0	439.599	8.128	50	30		IKEARN
COc1cc(C(=O)Nc2cc(C#N)ccc2OC(F)F)cc(Cl)c1OCCC(C)C	ZINC000072235907	557200391	/nfs/dbraw/zinc/20/03/91/557200391.db2.gz	KMLOOOLWAYPZGP-UHFFFAOYSA-N	0	0	438.858	5.499	50	30		IKEARN
CCCCCCCc1ccc([C@@H]2C3=C(N=C4SCC(=O)N42)c2ccccc2C3=O)cc1	ZINC000100916143	557201593	/nfs/dbraw/zinc/20/15/93/557201593.db2.gz	RBRURJYFMIKWBI-XMMPIXPASA-N	0	0	430.573	5.793	50	30		IKEARN
Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Sc1cccc(C(F)(F)F)c1	ZINC000100924253	557202338	/nfs/dbraw/zinc/20/23/38/557202338.db2.gz	HVTAYTKCLRVPOM-KQWNVCNZSA-N	0	0	448.322	7.043	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1	ZINC000096936325	557206559	/nfs/dbraw/zinc/20/65/59/557206559.db2.gz	JQFLEOSSGQGCKX-BRBBDLJVSA-N	0	0	426.538	5.117	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1	ZINC000011614478	557208864	/nfs/dbraw/zinc/20/88/64/557208864.db2.gz	MZVIOITUYFESGZ-CRALJOFWSA-N	0	0	441.483	6.181	50	30		IKEARN
Cc1ccc(/N=C2/S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000025558033	557214067	/nfs/dbraw/zinc/21/40/67/557214067.db2.gz	CJVRVNXVLRVBKZ-UQRBVYKBSA-N	0	0	429.501	6.020	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc(Cl)cc4)c3c2C1	ZINC000025559736	557214472	/nfs/dbraw/zinc/21/44/72/557214472.db2.gz	AMFYFSVVIFQCJF-NKZWWHGNSA-N	0	0	427.017	6.722	50	30		IKEARN
COc1ccc(-c2csc(N(/N=C/c3ccc(F)cc3)c3ccccc3)n2)cc1OC	ZINC000025560543	557214736	/nfs/dbraw/zinc/21/47/36/557214736.db2.gz	UALKZGMNLYCEEH-CVKSISIWSA-N	0	0	433.508	6.139	50	30		IKEARN
CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000023316044	557214745	/nfs/dbraw/zinc/21/47/45/557214745.db2.gz	JUEYLDNZUUGORI-RUZDIDTESA-N	0	0	436.577	5.394	50	30		IKEARN
Cc1cccc(C(=O)N[C@@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1	ZINC000025579557	557216025	/nfs/dbraw/zinc/21/60/25/557216025.db2.gz	ZTQKUTFMPHGORH-INIZCTEOSA-N	0	0	434.820	5.091	50	30		IKEARN
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000023317905	557216192	/nfs/dbraw/zinc/21/61/92/557216192.db2.gz	JYLIWRGJNUBFLL-RUZDIDTESA-N	0	0	436.577	5.394	50	30		IKEARN
O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)NC1CCCCC1)c1ccccc1	ZINC000025580392	557216293	/nfs/dbraw/zinc/21/62/93/557216293.db2.gz	OHGMWFVOXWMEBJ-YZSQISJMSA-N	0	0	431.561	5.190	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cc(OC)ccc4OC)c3c2C1	ZINC000025580596	557216384	/nfs/dbraw/zinc/21/63/84/557216384.db2.gz	BIQAKCCSGMCNET-WMMPRDMWSA-N	0	0	438.597	5.696	50	30		IKEARN
O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1)c1ccc(Br)cc1	ZINC000101068690	557221950	/nfs/dbraw/zinc/22/19/50/557221950.db2.gz	ZKUISVOJZNRREC-XSFVSMFZSA-N	0	0	448.272	5.013	50	30		IKEARN
Cc1cccc(NC(=O)/N=C2/C(=S)N(c3ccccc3)C(=O)N2c2cccc(C)c2)c1	ZINC000025693735	557222365	/nfs/dbraw/zinc/22/23/65/557222365.db2.gz	YPPPMHIBSQUBAE-QLYXXIJNSA-N	0	0	428.517	5.708	50	30		IKEARN
Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000101069935	557223715	/nfs/dbraw/zinc/22/37/15/557223715.db2.gz	PYMUSMSFXJNWAN-MRJHHRETSA-N	0	0	448.316	5.384	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000101069917	557223760	/nfs/dbraw/zinc/22/37/60/557223760.db2.gz	XPVJOZGNWYXKME-MRJHHRETSA-N	0	0	448.316	5.384	50	30		IKEARN
CCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1	ZINC000025761794	557224866	/nfs/dbraw/zinc/22/48/66/557224866.db2.gz	PNRCZERKCUVEHU-BGPOSVGRSA-N	0	0	441.185	6.672	50	30		IKEARN
O=S(=O)(N=C(Nc1ccccc1)c1ccccc1Br)c1ccc(Cl)cc1	ZINC000018029416	557229105	/nfs/dbraw/zinc/22/91/05/557229105.db2.gz	RCBDZQAGOUYLGE-UHFFFAOYSA-N	0	0	449.757	5.350	50	30		IKEARN
CCCCCCCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097950515	557230267	/nfs/dbraw/zinc/23/02/67/557230267.db2.gz	GRJXUKQRXKLANL-UHFFFAOYSA-N	0	0	449.020	5.120	50	30		IKEARN
C=CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2ccccc21	ZINC000011650458	557231200	/nfs/dbraw/zinc/23/12/00/557231200.db2.gz	IRMMBFJBZZAZOX-UHFFFAOYSA-N	0	0	448.617	6.273	50	30		IKEARN
CCCCCCCCCC(=O)NCc1ccc(-c2ccc(OC)c(C)c2)c2ccncc12	ZINC000098020143	557232231	/nfs/dbraw/zinc/23/22/31/557232231.db2.gz	BJBIWCXKBWTZSD-UHFFFAOYSA-N	0	0	432.608	6.976	50	30	biogenic	IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2C)c1	ZINC000098021415	557232243	/nfs/dbraw/zinc/23/22/43/557232243.db2.gz	AHUKAYBNSUTHKY-AREMUKBSSA-N	0	0	438.637	6.771	50	30		IKEARN
CCCc1ccc(-c2cc(F)c(C(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)cc1	ZINC000098071569	557233050	/nfs/dbraw/zinc/23/30/50/557233050.db2.gz	YJUHXJQZJUQYJJ-UHFFFAOYSA-N	0	0	428.347	7.130	50	30		IKEARN
Cc1ccc2nc(-c3cc(/N=C\c4ccc(Cl)c([N+](=O)[O-])c4)ccc3Cl)oc2c1	ZINC000018100568	557236656	/nfs/dbraw/zinc/23/66/56/557236656.db2.gz	HWCOOOIOZRSEPR-MYKKPKGFSA-N	0	0	426.259	6.769	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950870	557238076	/nfs/dbraw/zinc/23/80/76/557238076.db2.gz	ZGBOZDMUWYNQEO-UHFFFAOYSA-N	0	0	441.911	5.691	50	30		IKEARN
CCCCCCCOc1ccc(CNc2ccc(OCCCc3ccccc3)cc2)cc1	ZINC000100036644	557238375	/nfs/dbraw/zinc/23/83/75/557238375.db2.gz	VVODEWHIBZDFEB-UHFFFAOYSA-N	0	0	431.620	7.660	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)N[C@@H](C)c2cccc3ccccc32)cc1	ZINC000100037904	557238492	/nfs/dbraw/zinc/23/84/92/557238492.db2.gz	DBRDMFBDSAYYGH-QHCPKHFHSA-N	0	0	446.635	8.242	50	30		IKEARN
O=C1/C(=C\c2ccc(N3CCCCC3)cc2)S/C(=N/c2ccccc2)N1Cc1ccco1	ZINC000018121051	557238565	/nfs/dbraw/zinc/23/85/65/557238565.db2.gz	GVSWZUGWKHMTRH-CFEZCKOSSA-N	0	0	443.572	6.074	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCOc1cccc(OC)c1	ZINC000100049841	557238868	/nfs/dbraw/zinc/23/88/68/557238868.db2.gz	JCGFVNXZEIXNEL-UHFFFAOYSA-N	0	0	433.677	7.452	50	30	biogenic	IKEARN
CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCCCC	ZINC000100072717	557239957	/nfs/dbraw/zinc/23/99/57/557239957.db2.gz	HCQHIEGYGGJLJU-UHFFFAOYSA-N	0	0	426.682	7.915	50	30		IKEARN
Cc1oc(-c2ccccc2)nc1CSc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N	ZINC000024928549	557246389	/nfs/dbraw/zinc/24/63/89/557246389.db2.gz	QTFRORHGXYNVHK-UHFFFAOYSA-N	0	0	440.528	5.770	50	30		IKEARN
O=C(Nc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCCC2	ZINC000018194005	557247344	/nfs/dbraw/zinc/24/73/44/557247344.db2.gz	XAQFJZCPHCWWDZ-JVWAILMASA-N	0	0	426.541	6.489	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000018196062	557248011	/nfs/dbraw/zinc/24/80/11/557248011.db2.gz	OAQLJFMJSUJXHE-GOSISDBHSA-N	0	0	426.303	5.037	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196825	557248316	/nfs/dbraw/zinc/24/83/16/557248316.db2.gz	HMFASLZNPOGAOM-AREMUKBSSA-N	0	0	425.484	5.559	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@H]2c1cccs1	ZINC000018196869	557248333	/nfs/dbraw/zinc/24/83/33/557248333.db2.gz	SQACQJKZINATSO-LHSJRXKWSA-N	0	0	445.569	5.247	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2	ZINC000018197155	557248814	/nfs/dbraw/zinc/24/88/14/557248814.db2.gz	KIAOTBPHMURIHE-HHHXNRCGSA-N	0	0	441.527	5.847	50	30		IKEARN
COc1cc2c(c(OC)c1)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2	ZINC000018199343	557251199	/nfs/dbraw/zinc/25/11/99/557251199.db2.gz	IWUHSSUOZXNABM-LJQANCHMSA-N	0	0	432.289	5.170	50	30		IKEARN
CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1	ZINC000018206264	557251853	/nfs/dbraw/zinc/25/18/53/557251853.db2.gz	NLFNSWMTPUMXMU-UHFFFAOYSA-N	0	0	443.601	5.400	50	30		IKEARN
C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1	ZINC000027017210	557254239	/nfs/dbraw/zinc/25/42/39/557254239.db2.gz	CEJQCDWBMMEZFJ-NKFKGCMQSA-N	0	0	425.484	6.215	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000018254417	557254331	/nfs/dbraw/zinc/25/43/31/557254331.db2.gz	USRVMCCQMYGPRS-SANMLTNESA-N	0	0	430.592	6.537	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(OCC)cc1	ZINC000100259712	557255995	/nfs/dbraw/zinc/25/59/95/557255995.db2.gz	XCYWWJXXNPXLAA-ZOVWXIRQSA-N	0	0	446.956	5.467	50	30		IKEARN
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)S/C1=N/c1ccc(OC)cc1	ZINC000100260098	557256065	/nfs/dbraw/zinc/25/60/65/557256065.db2.gz	RGESGHJANGBKBU-GOESLVMASA-N	0	0	449.551	5.866	50	30		IKEARN
CC/N=C1\S/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC	ZINC000100251477	557256076	/nfs/dbraw/zinc/25/60/76/557256076.db2.gz	VZESTVTXFIMOOI-FTTVTTNZSA-N	0	0	438.622	5.218	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2cccc(OC)c2)cc1	ZINC000100284722	557256548	/nfs/dbraw/zinc/25/65/48/557256548.db2.gz	LYYLPKJZWHSBKW-UHFFFAOYSA-N	0	0	442.600	6.415	50	30		IKEARN
O=C1ON=C(c2ccccc2)/C1=C1\c2ccccc2N(Cc2c(Cl)cccc2Cl)C1=O	ZINC000100288109	557256909	/nfs/dbraw/zinc/25/69/09/557256909.db2.gz	CGCGMPNYGSGUBN-MRCUWXFGSA-N	0	0	449.293	5.255	50	30		IKEARN
C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1	ZINC000027229338	557258835	/nfs/dbraw/zinc/25/88/35/557258835.db2.gz	XZZREPGMDDOHPE-LICLKQGHSA-N	0	0	438.858	5.815	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccco1	ZINC000100487594	557261951	/nfs/dbraw/zinc/26/19/51/557261951.db2.gz	XVNQCDWPODPSOG-UDJHQSBFSA-N	0	0	432.479	5.317	50	30		IKEARN
CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2ccccc2Cl)N(CC)C1=O	ZINC000100496798	557262263	/nfs/dbraw/zinc/26/22/63/557262263.db2.gz	BISOAEKHCGVFAS-FFRBQNJWSA-N	0	0	442.009	6.280	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccccc2I)cc1)c1ccccc1	ZINC000100499558	557262377	/nfs/dbraw/zinc/26/23/77/557262377.db2.gz	XWSBGEZRVXYYSH-HYARGMPZSA-N	0	0	427.241	5.261	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3C)nc2c1	ZINC000100502236	557262688	/nfs/dbraw/zinc/26/26/88/557262688.db2.gz	YCAWLUWDXCXSTB-OPEKNORGSA-N	0	0	449.304	6.353	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1	ZINC000100502246	557262815	/nfs/dbraw/zinc/26/28/15/557262815.db2.gz	LJEOQQZUIRIEJU-LQKURTRISA-N	0	0	436.467	6.674	50	30		IKEARN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000100508735	557262973	/nfs/dbraw/zinc/26/29/73/557262973.db2.gz	HSSKSTDPRUHTLN-YSURURNPSA-N	0	0	435.823	5.844	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O	ZINC000100507151	557262980	/nfs/dbraw/zinc/26/29/80/557262980.db2.gz	DOXSPKCVVIJEHS-BHGWPJFGSA-N	0	0	441.256	5.861	50	30		IKEARN
O=C1c2cc(Br)ccc2N/C1=C1/Sc2c(ccc3cccc(Cl)c23)C1=O	ZINC000100524362	557263299	/nfs/dbraw/zinc/26/32/99/557263299.db2.gz	MJURASYNFLAELQ-CAPFRKAQSA-N	0	0	442.721	6.064	50	30		IKEARN
CCN(CC)c1ccc(/C=N/c2ccccc2/N=C/c2ccc(N(CC)CC)cc2)cc1	ZINC000100543536	557263978	/nfs/dbraw/zinc/26/39/78/557263978.db2.gz	STLPZBKWRGUEFT-VFIVCBTMSA-N	0	0	426.608	6.880	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c(OC)c1	ZINC000027533676	557264412	/nfs/dbraw/zinc/26/44/12/557264412.db2.gz	GRGJAQWAZGWUTR-FRKPEAEDSA-N	0	0	442.846	5.268	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F	ZINC000100557875	557264601	/nfs/dbraw/zinc/26/46/01/557264601.db2.gz	MWMIJAWLJKOUTF-BVZFJXPGSA-N	0	0	449.522	5.149	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccccc1OC(F)F	ZINC000101284796	557267685	/nfs/dbraw/zinc/26/76/85/557267685.db2.gz	SZGZIWUUEJACFQ-IBGZPJMESA-N	0	0	434.487	5.072	50	30		IKEARN
CCCCCCCCCCCCSC[C@H](O)Cn1c2ccccc2c2ccccc21	ZINC000100659885	557268814	/nfs/dbraw/zinc/26/88/14/557268814.db2.gz	LCOXIBFUFALKBG-HSZRJFAPSA-N	0	0	425.682	7.810	50	30		IKEARN
C=CC[C@@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000100685932	557269314	/nfs/dbraw/zinc/26/93/14/557269314.db2.gz	GTMJEAVXRNJUAA-RXVVDRJESA-N	0	0	429.383	5.193	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000000828259	557271692	/nfs/dbraw/zinc/27/16/92/557271692.db2.gz	AIBNFGHSFKHUIF-UHFFFAOYSA-N	0	0	440.536	5.113	50	30		IKEARN
Cc1cccc(CSc2nnc(NC(=O)c3sc4cc(F)ccc4c3Cl)s2)c1	ZINC000027750323	557273220	/nfs/dbraw/zinc/27/32/20/557273220.db2.gz	ZTWKAANCWFXYGD-UHFFFAOYSA-N	0	0	449.985	6.782	50	30		IKEARN
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000011024168	557273410	/nfs/dbraw/zinc/27/34/10/557273410.db2.gz	BDWARKGJTKUSIN-QGZVFWFLSA-N	0	0	429.611	5.233	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)CCCC/C1=C/c1ccc(Cl)cc1Cl	ZINC000008441186	557276384	/nfs/dbraw/zinc/27/63/84/557276384.db2.gz	RVCZFIMQQWQFTP-CKOAPEAFSA-N	0	0	426.170	7.910	50	30		IKEARN
CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(OC)c(N)c1	ZINC000100813122	557276433	/nfs/dbraw/zinc/27/64/33/557276433.db2.gz	DIZHCZLDWLNOBR-UHFFFAOYSA-N	0	0	426.667	6.037	50	30		IKEARN
O=c1c(C=[NH+]Cc2ccc(F)cc2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1	ZINC000008450403	557276467	/nfs/dbraw/zinc/27/64/67/557276467.db2.gz	OGVRCBSKAMIRPR-CVKSISIWSA-N	0	0	428.492	5.201	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccc(OC)cc2)s/c1=N\c1ccccc1	ZINC000101360697	557276551	/nfs/dbraw/zinc/27/65/51/557276551.db2.gz	LMFCZCOORQASEX-RQZHXJHFSA-N	0	0	441.556	5.896	50	30		IKEARN
N#Cc1ccccc1COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1	ZINC000014008762	557277117	/nfs/dbraw/zinc/27/71/17/557277117.db2.gz	AVOKFHIXUBSAEN-HMAPJEAMSA-N	0	0	428.538	5.543	50	30		IKEARN
COc1ccc(OC)c(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)c1	ZINC000101092720	557282723	/nfs/dbraw/zinc/28/27/23/557282723.db2.gz	MHRVDDOKIRWUKH-UHFFFAOYSA-N	0	0	425.406	5.899	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=C1c2ccccc2C(=O)[C@H]1C(c1ccccc1)c1ccccc1	ZINC000101515431	557290743	/nfs/dbraw/zinc/29/07/43/557290743.db2.gz	XZEIYLAQNGFBPY-MHZLTWQESA-N	0	0	440.498	6.164	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000101696063	557293977	/nfs/dbraw/zinc/29/39/77/557293977.db2.gz	FFBCYWJTOBHJQY-JWMLTMDESA-N	0	0	432.545	5.349	50	30		IKEARN
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CCSc1nnc(-c2ccc(OC)cc2)o1	ZINC000033382987	557295465	/nfs/dbraw/zinc/29/54/65/557295465.db2.gz	YRGLKFYABDJLHS-OTPAQWSUSA-N	0	0	426.626	7.026	50	30		IKEARN
CCCCCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cccc12	ZINC000102079633	557298541	/nfs/dbraw/zinc/29/85/41/557298541.db2.gz	WLADNDBIQLEBIM-UHFFFAOYSA-N	0	0	438.011	8.161	50	30		IKEARN
C[C@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000102625462	557304159	/nfs/dbraw/zinc/30/41/59/557304159.db2.gz	QHSOFLQDNNTTDE-XRFYJGMOSA-N	0	0	430.460	6.081	50	30		IKEARN
COc1ccc(NC(=O)c2c3c(sc2/N=C/c2sccc2C)CCC3)c(OC)c1	ZINC000101892741	557306000	/nfs/dbraw/zinc/30/60/00/557306000.db2.gz	ODRMOBITXDUGII-FSJBWODESA-N	0	0	426.563	5.627	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S	ZINC000002847972	557312577	/nfs/dbraw/zinc/31/25/77/557312577.db2.gz	JQZSDQWCPXHKOE-AQRZYSDFSA-N	0	0	425.575	5.168	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1OC	ZINC000002850099	557313324	/nfs/dbraw/zinc/31/33/24/557313324.db2.gz	WARDWQJBJWWNRL-YBEGLDIGSA-N	0	0	448.700	5.020	50	30		IKEARN
C=CCC(CC=C)(C(=O)Nc1ccc(NC(=O)c2ccccc2F)cc1)c1ccccc1	ZINC000002861158	557313766	/nfs/dbraw/zinc/31/37/66/557313766.db2.gz	FQQSZVBBELZDLK-UHFFFAOYSA-N	0	0	428.507	6.107	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2ccc3c(c2)OCCCO3)c1C#N	ZINC000014182049	557313875	/nfs/dbraw/zinc/31/38/75/557313875.db2.gz	AQRINOOOYQNOLD-UHFFFAOYSA-N	0	0	439.581	5.374	50	30		IKEARN
Cc1cc2c(c(C)c1)NC(=O)/C2=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000103358393	557314701	/nfs/dbraw/zinc/31/47/01/557314701.db2.gz	CWAFIWKLHMDAAM-RMPMBVSISA-N	0	0	425.513	5.434	50	30		IKEARN
Cc1cccc(N=C2C=C(NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1	ZINC000103321578	557314716	/nfs/dbraw/zinc/31/47/16/557314716.db2.gz	HSIDQRIZCQLRKF-NFFVHWSESA-N	0	0	444.556	5.291	50	30		IKEARN
COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@@]4(C)c2ccc(Cl)cc2)cc1	ZINC000100117587	557314940	/nfs/dbraw/zinc/31/49/40/557314940.db2.gz	IUDYNTLFXDEGGH-AAOMCQSUSA-N	0	0	444.962	6.304	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(Br)cc1)Nc1ccccc1-2	ZINC000002874008	557315883	/nfs/dbraw/zinc/31/58/83/557315883.db2.gz	KHIMYIYBAKULBV-QGZVFWFLSA-N	0	0	427.327	5.082	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)ccc2C)c1C	ZINC000032971556	557319466	/nfs/dbraw/zinc/31/94/66/557319466.db2.gz	AFDPAPKTDHBEDZ-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(C(C)(C)C)cc2)cc1	ZINC000003105260	557319498	/nfs/dbraw/zinc/31/94/98/557319498.db2.gz	HCNLFCHZAUIJTI-BLCKFSMSSA-N	0	0	433.555	6.699	50	30		IKEARN
COc1ccc(Br)c(/C=C2/S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c1	ZINC000033348327	557333799	/nfs/dbraw/zinc/33/37/99/557333799.db2.gz	YPZAXSICXQQUND-LZYBPNLTSA-N	0	0	437.746	5.311	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2ccccc2F)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000033399735	557333928	/nfs/dbraw/zinc/33/39/28/557333928.db2.gz	DWZYPQBSDMJMFJ-SFQUDFHCSA-N	0	0	433.435	5.416	50	30		IKEARN
CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@@H](c2ccccc2)CC1=O	ZINC000100140346	557333932	/nfs/dbraw/zinc/33/39/32/557333932.db2.gz	RBAJGAYYGOVLAB-JOCHJYFZSA-N	0	0	449.591	5.386	50	30		IKEARN
CCCC(NCCc1c(C)[nH]c2ccc(C)cc21)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000100140060	557333952	/nfs/dbraw/zinc/33/39/52/557333952.db2.gz	ZTIMZMDSEBPSSU-UHFFFAOYSA-N	0	0	428.576	5.687	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102495658	557335703	/nfs/dbraw/zinc/33/57/03/557335703.db2.gz	NWZPFVLGNMYBSF-JBCNATCCSA-N	0	0	426.497	5.231	50	30		IKEARN
Cc1nn(-c2cccc(Cl)c2)c2c1[C@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2	ZINC000014361077	557336257	/nfs/dbraw/zinc/33/62/57/557336257.db2.gz	JPRAHKPNPIIFKS-DEOSSOPVSA-N	0	0	445.994	6.696	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000102507225	557339908	/nfs/dbraw/zinc/33/99/08/557339908.db2.gz	XXNYGLZRWUNMGI-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O	ZINC000100167841	557340074	/nfs/dbraw/zinc/34/00/74/557340074.db2.gz	KNEACJZTYDHWJP-JZJYNLBNSA-N	0	0	448.007	5.896	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C	ZINC000102535539	557344898	/nfs/dbraw/zinc/34/48/98/557344898.db2.gz	YFTNJXYEULJUHS-LFVOPCPISA-N	0	0	438.936	5.348	50	30		IKEARN
CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176686	557347697	/nfs/dbraw/zinc/34/76/97/557347697.db2.gz	OISFIYRYEARUJD-AJBULDERSA-N	0	0	437.974	7.898	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Br	ZINC000003113097	557347932	/nfs/dbraw/zinc/34/79/32/557347932.db2.gz	KLHYVGFVWZWSOR-WYMPLXKRSA-N	0	0	425.257	6.156	50	30		IKEARN
C=CCN1C(=O)/C(=C\C(=O)N[C@H](Cc2ccccc2)c2ccccc2)Sc2ccccc21	ZINC000023335631	557348248	/nfs/dbraw/zinc/34/82/48/557348248.db2.gz	ICRVXRARNJZVFP-UDXHRHDRSA-N	0	0	440.568	5.295	50	30		IKEARN
C=CCCC(=O)Nc1c2ccn(Cc3ccccc3F)c2ccc1OC(=O)N(CC)CC	ZINC000023334820	557349716	/nfs/dbraw/zinc/34/97/16/557349716.db2.gz	KIOVSTGASMKQHF-UHFFFAOYSA-N	0	0	437.515	5.574	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)N3CCC(C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023427993	557353949	/nfs/dbraw/zinc/35/39/49/557353949.db2.gz	JBSDOPJHZJBITD-UHFFFAOYSA-N	0	0	439.603	6.018	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1	ZINC000102527640	557354106	/nfs/dbraw/zinc/35/41/06/557354106.db2.gz	YLYSEOKMGHQHQR-WOOAAIBNSA-N	0	0	432.526	5.293	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102580581	557355474	/nfs/dbraw/zinc/35/54/74/557355474.db2.gz	BIGUSMGZIZKJAE-ZHHPLPSFSA-N	0	0	431.919	6.090	50	30		IKEARN
CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc21	ZINC000102560364	557358917	/nfs/dbraw/zinc/35/89/17/557358917.db2.gz	PHLZTCZCSPTVNT-AREMUKBSSA-N	0	0	431.580	5.498	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)cc1	ZINC000023460113	557360319	/nfs/dbraw/zinc/36/03/19/557360319.db2.gz	ZPMNDTWYXYWOHM-UHFFFAOYSA-N	0	0	433.467	5.311	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000102649420	557361300	/nfs/dbraw/zinc/36/13/00/557361300.db2.gz	MZSMBVNVHXRFAN-LQQVSHDKSA-N	0	0	439.939	5.064	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000102649422	557361374	/nfs/dbraw/zinc/36/13/74/557361374.db2.gz	MZSMBVNVHXRFAN-RXTQHAMCSA-N	0	0	439.939	5.064	50	30		IKEARN
CCc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(OC)c(Cl)c4)CC3)c2c1	ZINC000044167768	557365293	/nfs/dbraw/zinc/36/52/93/557365293.db2.gz	WIZIXVXOYMJSHX-UHFFFAOYSA-N	0	0	448.954	5.186	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000102705130	557366021	/nfs/dbraw/zinc/36/60/21/557366021.db2.gz	ILMUDAQOQIFPLP-AYWGPLOBSA-N	0	0	442.515	5.014	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102706633	557366907	/nfs/dbraw/zinc/36/69/07/557366907.db2.gz	DHLXSACORIPVNB-HOGKFDNTSA-N	0	0	430.504	5.215	50	30		IKEARN
CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CCCC)cc3)S2)cc1	ZINC000011690589	557369840	/nfs/dbraw/zinc/36/98/40/557369840.db2.gz	USEAFHQMBMCKAE-HXTHCWADSA-N	0	0	437.609	5.372	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1	ZINC000102735451	557373252	/nfs/dbraw/zinc/37/32/52/557373252.db2.gz	ODMCDKCDPHGAPK-NHFXJNLRSA-N	0	0	430.485	5.078	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S	ZINC000033921522	557384212	/nfs/dbraw/zinc/38/42/12/557384212.db2.gz	WMGSTBDVSJYDJA-MOSHPQCFSA-N	0	0	445.993	5.705	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102803089	557385498	/nfs/dbraw/zinc/38/54/98/557385498.db2.gz	XINCQOIJQABJQG-AYWGPLOBSA-N	0	0	447.918	5.673	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102797494	557389055	/nfs/dbraw/zinc/38/90/55/557389055.db2.gz	RTVNIEMZFPPXBH-MRJHHRETSA-N	0	0	432.545	5.063	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102801313	557390887	/nfs/dbraw/zinc/39/08/87/557390887.db2.gz	MCFRKMOPESMPQG-MOBKVPTQSA-N	0	0	431.875	5.169	50	30		IKEARN
CN(C)C=NC(=O)[C@@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl	ZINC000100256124	557396024	/nfs/dbraw/zinc/39/60/24/557396024.db2.gz	HYVHLYUDGMAOET-QYJQOTDOSA-N	0	0	439.342	5.473	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000102874860	557396518	/nfs/dbraw/zinc/39/65/18/557396518.db2.gz	RWZHOZJUQOQWQP-NHFXJNLRSA-N	0	0	439.298	5.010	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000100298090	557398612	/nfs/dbraw/zinc/39/86/12/557398612.db2.gz	YNYOPHJNYDOHFX-JWMLTMDESA-N	0	0	430.529	5.074	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102858056	557399186	/nfs/dbraw/zinc/39/91/86/557399186.db2.gz	ORDFAXRQDNMFJA-YDJIHCHBSA-N	0	0	442.298	5.517	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000102858975	557399407	/nfs/dbraw/zinc/39/94/07/557399407.db2.gz	CGUGPNGMUCWTCC-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000004872147	557399838	/nfs/dbraw/zinc/39/98/38/557399838.db2.gz	AGIIGYPVATZIIW-MLKPGFSBSA-N	0	0	444.604	5.540	50	30		IKEARN
COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000100342996	557400495	/nfs/dbraw/zinc/40/04/95/557400495.db2.gz	IPUYFPMFIOIFJD-XAJMEMKASA-N	0	0	425.484	5.186	50	30	biogenic	IKEARN
N#Cc1c(C=CNc2ccc(Cl)cc2Cl)onc1-c1c(Cl)cccc1Cl	ZINC000100394441	557401504	/nfs/dbraw/zinc/40/15/04/557401504.db2.gz	LGQUPVFWRHJHCB-VOTSOKGWSA-N	0	0	425.102	6.910	50	30		IKEARN
C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N/c1ccc(C)cc1	ZINC000100380032	557401558	/nfs/dbraw/zinc/40/15/58/557401558.db2.gz	XJRXRAPMVHSRBZ-CYYJNZCTSA-N	0	0	428.626	7.332	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102862250	557402895	/nfs/dbraw/zinc/40/28/95/557402895.db2.gz	IUMNLIPDPAHJGZ-ZHHPLPSFSA-N	0	0	431.488	5.034	50	30		IKEARN
C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O	ZINC000004910501	557403609	/nfs/dbraw/zinc/40/36/09/557403609.db2.gz	JFCBJJQXBQGVQF-IRLDBZIGSA-N	0	0	431.580	5.521	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2F)cc1	ZINC000102864340	557403959	/nfs/dbraw/zinc/40/39/59/557403959.db2.gz	ZUYXSMSVFBPRLK-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000102864503	557403996	/nfs/dbraw/zinc/40/39/96/557403996.db2.gz	CTHXWBFZDBUQQK-WOOAAIBNSA-N	0	0	438.936	5.348	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1	ZINC000102866509	557404356	/nfs/dbraw/zinc/40/43/56/557404356.db2.gz	SBBXHXHFEBWASW-NHFXJNLRSA-N	0	0	430.460	5.062	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccn2)[C@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1	ZINC000102879548	557407276	/nfs/dbraw/zinc/40/72/76/557407276.db2.gz	QBAIHOWWWJMBPH-IUKMQXEJSA-N	0	0	448.478	5.500	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1	ZINC000102879550	557407372	/nfs/dbraw/zinc/40/73/72/557407372.db2.gz	QBAIHOWWWJMBPH-NPJIAGGLSA-N	0	0	448.478	5.500	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1	ZINC000102882429	557408386	/nfs/dbraw/zinc/40/83/86/557408386.db2.gz	JXSVYLLCVNFEBG-OBVHCKHUSA-N	0	0	444.512	5.441	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2	ZINC000102882309	557408474	/nfs/dbraw/zinc/40/84/74/557408474.db2.gz	RNPXVCHPKMMSBO-NYHFZMIOSA-N	0	0	427.887	6.469	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102927744	557410395	/nfs/dbraw/zinc/41/03/95/557410395.db2.gz	XFPDXDFVYXJGAY-JBCNATCCSA-N	0	0	446.572	5.684	50	30		IKEARN
COc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1	ZINC000100494627	557410600	/nfs/dbraw/zinc/41/06/00/557410600.db2.gz	SSNRMSCFXPROTC-CZYCKNNWSA-N	0	0	436.511	6.997	50	30		IKEARN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl	ZINC000033558083	557410880	/nfs/dbraw/zinc/41/08/80/557410880.db2.gz	AYRZFHJNKMIXRS-URYZVYFESA-N	0	0	429.903	5.518	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000033554778	557411183	/nfs/dbraw/zinc/41/11/83/557411183.db2.gz	YXTPEHBSPSFMKJ-YTFSRNRJSA-N	0	0	425.488	5.171	50	30		IKEARN
COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@H](c3ccccc3)C2)cc1	ZINC000102960489	557413314	/nfs/dbraw/zinc/41/33/14/557413314.db2.gz	NJYDEZOSBWRDCZ-BJKOFHAPSA-N	0	0	446.348	5.874	50	30		IKEARN
O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1	ZINC000033587656	557414504	/nfs/dbraw/zinc/41/45/04/557414504.db2.gz	MRPWWQUBTFOASD-NTMALXAHSA-N	0	0	428.315	5.986	50	30		IKEARN
CCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	ZINC000102996002	557414743	/nfs/dbraw/zinc/41/47/43/557414743.db2.gz	QOIDQVPCPJEQQT-GOSISDBHSA-N	0	0	449.020	5.539	50	30		IKEARN
CCCCCCCCCC(=O)N(CCC)CC(=O)N(Cc1ccco1)Cc1ccccc1	ZINC000102997669	557415126	/nfs/dbraw/zinc/41/51/26/557415126.db2.gz	XQNPDQUBRQXZFV-UHFFFAOYSA-N	0	0	440.628	6.188	50	30		IKEARN
CCCCCCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)CC)cc1)C(C)C	ZINC000102999490	557415148	/nfs/dbraw/zinc/41/51/48/557415148.db2.gz	NWIFMEOQQSVYJM-UHFFFAOYSA-N	0	0	439.662	6.073	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC	ZINC000102992759	557415672	/nfs/dbraw/zinc/41/56/72/557415672.db2.gz	VMKWGLNLSUTWAM-OXQOHEQNSA-N	0	0	446.617	5.044	50	30		IKEARN
CCCCCCCC(=O)Nc1cc(-c2onc3c2CCc2cc(OC)ccc2-3)ccc1C	ZINC000102993416	557415704	/nfs/dbraw/zinc/41/57/04/557415704.db2.gz	JDSIFGBCMOAXIF-UHFFFAOYSA-N	0	0	432.564	6.723	50	30		IKEARN
CCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1	ZINC000102993698	557416066	/nfs/dbraw/zinc/41/60/66/557416066.db2.gz	ZPFRNWYPIJAYMS-QHCPKHFHSA-N	0	0	443.588	5.299	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000104155754	557451221	/nfs/dbraw/zinc/45/12/21/557451221.db2.gz	JZRVPEZFYKMXSK-MHECFPHRSA-N	0	0	437.926	6.876	50	30		IKEARN
CCCCCCCCCCOC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000100031781	557454118	/nfs/dbraw/zinc/45/41/18/557454118.db2.gz	AVOAULNYWBPMPB-UHFFFAOYSA-N	0	0	443.500	6.544	50	30		IKEARN
CCOc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1	ZINC000016675963	557475161	/nfs/dbraw/zinc/47/51/61/557475161.db2.gz	QXRCGNPMXFPVBT-SSGMYWTASA-N	0	0	447.966	5.506	50	30		IKEARN
CCOc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1	ZINC000016675961	557475224	/nfs/dbraw/zinc/47/52/24/557475224.db2.gz	QXRCGNPMXFPVBT-UIZNLQPJSA-N	0	0	447.966	5.506	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1	ZINC000018352690	557497448	/nfs/dbraw/zinc/49/74/48/557497448.db2.gz	WSZBBUZISWWIJL-UHFFFAOYSA-N	0	0	446.601	5.366	50	30		IKEARN
O=C(c1cccc(Cl)c1)N(/C=C1\Sc2ccccc2C1=O)c1ccc(Cl)cc1	ZINC000003166144	557531664	/nfs/dbraw/zinc/53/16/64/557531664.db2.gz	SCGKBQVRUNOTFJ-MOSHPQCFSA-N	0	0	426.324	6.470	50	30		IKEARN
CC(=O)N(c1nc(CN2CCC[C@@H]2[C@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1	ZINC000106920947	557533321	/nfs/dbraw/zinc/53/33/21/557533321.db2.gz	QBXBEBVLSQZLFW-JWQCQUIFSA-N	0	0	444.604	5.716	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2C)c1	ZINC000044858752	557537936	/nfs/dbraw/zinc/53/79/36/557537936.db2.gz	CTQHTDAGXNQTDA-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccccc3)cnn21	ZINC000044858690	557537942	/nfs/dbraw/zinc/53/79/42/557537942.db2.gz	VBWCYYYQVWBYBQ-QHCPKHFHSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2)cc1	ZINC000044858798	557537975	/nfs/dbraw/zinc/53/79/75/557537975.db2.gz	VGYLRCWJVYHHDT-HSZRJFAPSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CC(C)(C)CC(=O)C1[C@H]2c1ccccc1	ZINC000044858896	557538055	/nfs/dbraw/zinc/53/80/55/557538055.db2.gz	IYEXEVVZDYNOHH-HSZRJFAPSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1	ZINC000044858875	557538099	/nfs/dbraw/zinc/53/80/99/557538099.db2.gz	SBCWZBATADVKQB-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccc(F)c(F)c2)C1	ZINC000044858950	557538341	/nfs/dbraw/zinc/53/83/41/557538341.db2.gz	VBPPTAHUTKQBRZ-JOCHJYFZSA-N	0	0	448.473	5.072	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)cc1	ZINC000044859253	557538445	/nfs/dbraw/zinc/53/84/45/557538445.db2.gz	NOCIDEHBIOFWPP-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CCC/C2=C\c1ccccc1	ZINC000108355126	557542535	/nfs/dbraw/zinc/54/25/35/557542535.db2.gz	ZKZWLOXJLTVFIC-NCELDCMTSA-N	0	0	444.603	7.789	50	30		IKEARN
CCOc1ccccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1	ZINC000045939473	557548424	/nfs/dbraw/zinc/54/84/24/557548424.db2.gz	OARIYXWYAWXVSF-UHFFFAOYSA-N	0	0	430.552	5.176	50	30		IKEARN
Cc1cc(C)cc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(F)(F)F)c2)c1	ZINC000045940445	557548885	/nfs/dbraw/zinc/54/88/85/557548885.db2.gz	KPSDNQGREQSPEE-UHFFFAOYSA-N	0	0	426.442	5.115	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(CC)c2)cc1	ZINC000045940663	557549085	/nfs/dbraw/zinc/54/90/85/557549085.db2.gz	PMPJFNZVZZZENT-UHFFFAOYSA-N	0	0	430.552	5.221	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000038263478	557568755	/nfs/dbraw/zinc/56/87/55/557568755.db2.gz	FELCJAPFJOPHSD-VUFVRDRTSA-N	0	0	440.712	7.204	50	30	biogenic	IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12	ZINC000014979695	557607803	/nfs/dbraw/zinc/60/78/03/557607803.db2.gz	LCQKHZYXPCLVBI-KTKRTIGZSA-N	0	0	440.672	7.570	50	30	in-vitro	IKEARN
C#CCOc1ccc(Br)cc1C=C1SC(Nc2ccc(C)c(C)c2)=NC1=O	ZINC000002972705	557652832	/nfs/dbraw/zinc/65/28/32/557652832.db2.gz	SPNDKSVUMWIOAY-UNOMPAQXSA-N	0	0	441.350	5.160	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@](C)(CC)OC3	ZINC000002996559	557674284	/nfs/dbraw/zinc/67/42/84/557674284.db2.gz	ANTFPOHXGSGTQX-HSZRJFAPSA-N	0	0	426.607	5.665	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cc2ccccc2cc1O	ZINC000003000667	557678447	/nfs/dbraw/zinc/67/84/47/557678447.db2.gz	GXWFMQXOYWATOG-UHFFFAOYSA-N	0	0	435.936	5.618	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Br)Nc1ccccc1-2	ZINC000003000500	557686769	/nfs/dbraw/zinc/68/67/69/557686769.db2.gz	ZEVNDSJYXKRMDC-KRWDZBQOSA-N	0	0	427.327	5.082	50	30		IKEARN
N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(Br)cc1	ZINC000000841929	557690780	/nfs/dbraw/zinc/69/07/80/557690780.db2.gz	BWJSZNUQVBZCRJ-UHFFFAOYSA-N	0	0	430.352	5.175	50	30		IKEARN
CN1c2ccccc2S/C1=C/C(=O)CCCCC(=O)/C=C1\Sc2ccccc2N1C	ZINC000201357662	557731303	/nfs/dbraw/zinc/73/13/03/557731303.db2.gz	HNDDHEMDAHTJRE-REPVBDINSA-N	0	0	436.602	5.852	50	30		IKEARN
C[C@H]1CC(C)(C)N(C)c2ccc([C@@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21	ZINC000226074048	557804135	/nfs/dbraw/zinc/80/41/35/557804135.db2.gz	FMTLDGNAGVCGTD-IVCQMTBJSA-N	0	0	426.564	5.780	50	30		IKEARN
CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1	ZINC000226369502	557806100	/nfs/dbraw/zinc/80/61/00/557806100.db2.gz	XLLVCEWUWMRFCJ-VDFLHAPBSA-N	0	0	443.635	6.570	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1	ZINC000000848720	557829730	/nfs/dbraw/zinc/82/97/30/557829730.db2.gz	QZZHQRRKNSEMKR-UHFFFAOYSA-N	0	0	441.800	5.192	50	30		IKEARN
COc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000000879513	557840944	/nfs/dbraw/zinc/84/09/44/557840944.db2.gz	LQJMYSDWKXXUTC-UHFFFAOYSA-N	0	0	449.479	5.440	50	30		IKEARN
O=S(=O)(OC[C@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1	ZINC000003136945	557842219	/nfs/dbraw/zinc/84/22/19/557842219.db2.gz	MOUWCLXELLTTIT-IBGZPJMESA-N	0	0	431.351	5.181	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1	ZINC000000888427	557851594	/nfs/dbraw/zinc/85/15/94/557851594.db2.gz	DWCKHBZQQRHTPL-OAHLLOKOSA-N	0	0	438.622	5.385	50	30		IKEARN
N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)c1ccccc1Cl	ZINC000000636443	562918832	/nfs/dbraw/zinc/91/88/32/562918832.db2.gz	GKOLASTZGRTADS-UHFFFAOYSA-N	0	0	437.890	5.410	50	30		IKEARN
COc1ccc(CC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1OC	ZINC000000708631	562919066	/nfs/dbraw/zinc/91/90/66/562919066.db2.gz	WRIQFXLZESDFIP-UHFFFAOYSA-N	0	0	438.483	5.684	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000000989098	562919889	/nfs/dbraw/zinc/91/98/89/562919889.db2.gz	QAQIOXBFLSQYTD-UHFFFAOYSA-N	0	0	437.443	5.570	50	30	aggregator	IKEARN
Cc1cc(Cl)ccc1Nc1sc(C(=O)c2cc3cc(Cl)ccc3o2)c(N)c1C#N	ZINC000001568969	562923018	/nfs/dbraw/zinc/92/30/18/562923018.db2.gz	NQDRSEQLRQZOHD-UHFFFAOYSA-N	0	0	442.327	6.538	50	30	aggregator,in-vitro	IKEARN
COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1	ZINC000002325859	562926977	/nfs/dbraw/zinc/92/69/77/562926977.db2.gz	DYUMSXACKSDWFC-UHFFFAOYSA-N	0	0	428.517	5.019	50	30		IKEARN
O=C(C=CNc1ccc(Cc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F	ZINC000003182465	562932633	/nfs/dbraw/zinc/93/26/33/562932633.db2.gz	PTKAMJUYYYQHLO-WGDLNXRISA-N	0	0	442.359	5.391	50	30	aggregator	IKEARN
COc1ccc(-c2oc(NC(=O)c3ccc(C)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000003277128	562933640	/nfs/dbraw/zinc/93/36/40/562933640.db2.gz	VJEAXEVRTVZQCK-UHFFFAOYSA-N	0	0	438.483	6.063	50	30		IKEARN
C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCC(=O)Nc1ccccc1	ZINC000003291348	562933768	/nfs/dbraw/zinc/93/37/68/562933768.db2.gz	BMLGRHHILCRQLP-UHFFFAOYSA-N	0	0	439.587	5.103	50	30		IKEARN
COc1ccc(-n2c(SCCC#N)nnc2-c2cc(Cl)ccc2OC)cc1Cl	ZINC000003495874	562936273	/nfs/dbraw/zinc/93/62/73/562936273.db2.gz	YVHUOMWYDXZCGH-UHFFFAOYSA-N	0	0	435.336	5.264	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000004081752	562941588	/nfs/dbraw/zinc/94/15/88/562941588.db2.gz	MHAVMNJPXLZEIG-CNRMHUMKSA-N	0	0	438.696	7.412	50	30	biogenic	IKEARN
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21	ZINC000004162390	562942359	/nfs/dbraw/zinc/94/23/59/562942359.db2.gz	VMOSPCSOWBEFCJ-LXFCCGDJSA-N	0	0	428.532	5.038	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2nc3ccccc3n2C(C)C)cc1	ZINC000006079576	562946170	/nfs/dbraw/zinc/94/61/70/562946170.db2.gz	CVZAIBUDSGPUEU-PCLIKHOPSA-N	0	0	432.549	5.477	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1C	ZINC000008589806	562951378	/nfs/dbraw/zinc/95/13/78/562951378.db2.gz	WELGHBZPCGILOK-UHFFFAOYSA-N	0	0	447.507	6.048	50	30		IKEARN
CCN(C(=O)CSc1nc2ccccc2n1Cc1ccccc1C#N)c1ccccc1	ZINC000008609271	562957720	/nfs/dbraw/zinc/95/77/20/562957720.db2.gz	CDQLYRWDZHZOLQ-UHFFFAOYSA-N	0	0	426.545	5.101	50	30		IKEARN
CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1	ZINC000008614952	562959670	/nfs/dbraw/zinc/95/96/70/562959670.db2.gz	BWPNYOQNOOJQRQ-UHFFFAOYSA-N	0	0	431.448	5.536	50	30	aggregator	IKEARN
Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000027520700	563042688	/nfs/dbraw/zinc/04/26/88/563042688.db2.gz	BZLMOUWVCAOJSG-CIAFOILYSA-N	0	0	432.505	5.202	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	ZINC000247754979	568618170	/nfs/dbraw/zinc/61/81/70/568618170.db2.gz	VUAKNUODZRBLQK-ZLNRFVROSA-N	0	0	441.943	5.686	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000102486492	568621298	/nfs/dbraw/zinc/62/12/98/568621298.db2.gz	UJMDAPKVKFTMSA-MRJHHRETSA-N	0	0	448.544	5.093	50	30		IKEARN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1	ZINC000108450309	568625583	/nfs/dbraw/zinc/62/55/83/568625583.db2.gz	PUGACACYWXKMSL-QFIPXVFZSA-N	0	0	434.532	6.282	50	30	biogenic	IKEARN
CC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O	ZINC000000902512	568636204	/nfs/dbraw/zinc/63/62/04/568636204.db2.gz	JBDPQRRMJBNPBM-KRWDZBQOSA-N	0	0	449.591	5.257	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1-c1ccc(C#N)cc1	ZINC000025143815	568639863	/nfs/dbraw/zinc/63/98/63/568639863.db2.gz	UWJPYGLBIRZUOB-UHFFFAOYSA-N	0	0	441.506	6.208	50	30		IKEARN
C=C(C)CNC(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1	ZINC000025142256	568639894	/nfs/dbraw/zinc/63/98/94/568639894.db2.gz	VOPDVUPELHFYMS-UHFFFAOYSA-N	0	0	439.515	5.175	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C)c2)c1-c1ccc(C#N)cc1	ZINC000025142565	568640156	/nfs/dbraw/zinc/64/01/56/568640156.db2.gz	VYDKYZKUKXJNJE-UHFFFAOYSA-N	0	0	437.543	6.377	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4Cl)nn3[C@@H]2c2ccccc2[N+](=O)[O-])C1	ZINC000000944336	568643146	/nfs/dbraw/zinc/64/31/46/568643146.db2.gz	OOGZKDFCRIKQLE-HXUWFJFHSA-N	0	0	449.898	5.165	50	30		IKEARN
Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C	ZINC000000945295	568643372	/nfs/dbraw/zinc/64/33/72/568643372.db2.gz	NFMZZNWEHXESRO-UIOOFZCWSA-N	0	0	441.552	6.329	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(F)cc2)cc1	ZINC000000952990	568644978	/nfs/dbraw/zinc/64/49/78/568644978.db2.gz	GLCWESATTUQJBY-DEOSSOPVSA-N	0	0	449.522	5.182	50	30		IKEARN
C=CCn1c(SCc2ccccc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21	ZINC000025160277	568645512	/nfs/dbraw/zinc/64/55/12/568645512.db2.gz	BFLDHPKVGCJSBF-UHFFFAOYSA-N	0	0	434.568	6.639	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc3c(c2)OCCO3)nc1SCc1ccccn1	ZINC000000971480	568647497	/nfs/dbraw/zinc/64/74/97/568647497.db2.gz	NFGJNRQIELAONC-UHFFFAOYSA-N	0	0	429.423	5.098	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1cc(-c3ccco3)nc3ccccc31)CCCCCC2	ZINC000000995308	568648240	/nfs/dbraw/zinc/64/82/40/568648240.db2.gz	ATMWTIZEUDIWDK-UHFFFAOYSA-N	0	0	427.529	6.339	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CCCC2	ZINC000001010045	568649815	/nfs/dbraw/zinc/64/98/15/568649815.db2.gz	AUDWJWPPGXXWJQ-UHFFFAOYSA-N	0	0	425.863	5.235	50	30		IKEARN
C=CCn1cnnc1SCc1nc2ccccc2c(-c2ccccc2)c1C(=O)OCC	ZINC000025253696	568650257	/nfs/dbraw/zinc/65/02/57/568650257.db2.gz	TUBBHVUIRLEXFM-UHFFFAOYSA-N	0	0	430.533	5.148	50	30		IKEARN
Cc1cc(C(F)(F)F)nc(SCC(=O)N(c2ccccc2)c2ccccc2)c1C#N	ZINC000001010205	568652011	/nfs/dbraw/zinc/65/20/11/568652011.db2.gz	BTDDHIXPVMJUTL-UHFFFAOYSA-N	0	0	427.451	5.738	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1Cl	ZINC000001025858	568653169	/nfs/dbraw/zinc/65/31/69/568653169.db2.gz	MRAWDBYNPUTKHY-JOCHJYFZSA-N	0	0	447.874	5.160	50	30		IKEARN
Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)c1Cl	ZINC000001067582	568655617	/nfs/dbraw/zinc/65/56/17/568655617.db2.gz	LSVMWDGLIOOLQD-UHFFFAOYSA-N	0	0	429.756	5.703	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C#N)c3)c2C1	ZINC000025389621	568656111	/nfs/dbraw/zinc/65/61/11/568656111.db2.gz	QGHUYYWUPHXRMB-GOSISDBHSA-N	0	0	441.531	5.053	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1	ZINC000025391335	568656327	/nfs/dbraw/zinc/65/63/27/568656327.db2.gz	RVFQAHQGMZYNPS-GOSISDBHSA-N	0	0	441.531	5.053	50	30		IKEARN
CCOC(=O)c1c(CC(C#N)(c2ccccc2)c2ccccc2)oc2ccc(OC)cc21	ZINC000001074204	568656583	/nfs/dbraw/zinc/65/65/83/568656583.db2.gz	ZIVZXEHWIJPZAG-UHFFFAOYSA-N	0	0	425.484	5.670	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000001079486	568656732	/nfs/dbraw/zinc/65/67/32/568656732.db2.gz	UOYPBBMXWYNOKZ-INIZCTEOSA-N	0	0	426.419	5.037	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000001079488	568656765	/nfs/dbraw/zinc/65/67/65/568656765.db2.gz	DJQIISWFCCPVQJ-MRXNPFEDSA-N	0	0	426.419	5.037	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2	ZINC000001080232	568657003	/nfs/dbraw/zinc/65/70/03/568657003.db2.gz	LPASXEOEVJVMQJ-WINIVTDRSA-N	0	0	446.506	5.922	50	30		IKEARN
CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000001080213	568657053	/nfs/dbraw/zinc/65/70/53/568657053.db2.gz	LUHXGQBPZJLMON-KMRXNPHXSA-N	0	0	446.550	6.592	50	30		IKEARN
N#Cc1cccc(Oc2cccc(C(=O)OCc3ccc(Br)cc3)c2)c1C#N	ZINC000001116153	568659480	/nfs/dbraw/zinc/65/94/80/568659480.db2.gz	VFSSAOZLSMVDGN-UHFFFAOYSA-N	0	0	433.261	5.342	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1	ZINC000001115334	568659568	/nfs/dbraw/zinc/65/95/68/568659568.db2.gz	PXOBTKJKMKNXGA-LBPRGKRZSA-N	0	0	441.350	6.019	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000001103541	568660364	/nfs/dbraw/zinc/66/03/64/568660364.db2.gz	LZEHYRKJLJNDJP-QHCPKHFHSA-N	0	0	444.506	5.297	50	30		IKEARN
COc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br	ZINC000001132761	568661780	/nfs/dbraw/zinc/66/17/80/568661780.db2.gz	SGNDXWYWMWVYTA-CYBMUJFWSA-N	0	0	447.398	5.794	50	30		IKEARN
Cc1ccc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2c1	ZINC000015134393	568663738	/nfs/dbraw/zinc/66/37/38/568663738.db2.gz	WAKFQSCGSYXWTC-BRJLIKDPSA-N	0	0	435.321	6.639	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000001179056	568735901	/nfs/dbraw/zinc/73/59/01/568735901.db2.gz	FHDWDEJFAWUXBB-RLMNYEENSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000001179058	568735918	/nfs/dbraw/zinc/73/59/18/568735918.db2.gz	FHDWDEJFAWUXBB-USXRGHEGSA-N	0	0	440.455	5.086	50	30		IKEARN
N#Cc1cc(-c2nc(-c3ccccc3)cs2)c(N)nc1SCC(=O)Nc1ccccc1	ZINC000025572524	568736183	/nfs/dbraw/zinc/73/61/83/568736183.db2.gz	NCSRKFWFZOZKQN-UHFFFAOYSA-N	0	0	443.557	5.057	50	30		IKEARN
O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000001208166	568737129	/nfs/dbraw/zinc/73/71/29/568737129.db2.gz	WYCSGKOENFHISE-ZDLGFXPLSA-N	0	0	428.263	5.947	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000005827566	568737585	/nfs/dbraw/zinc/73/75/85/568737585.db2.gz	ZYEDEPBMAUWJCW-UHFFFAOYSA-N	0	0	427.013	6.267	50	30		IKEARN
CC(C)(C)C1=CC(=C2C(=O)c3ccccc3C(=O)C2(Cl)Cl)C=C(C(C)(C)C)C1=O	ZINC000137088045	568738419	/nfs/dbraw/zinc/73/84/19/568738419.db2.gz	OCWGYPPIDRLDKF-UHFFFAOYSA-N	0	0	431.359	6.064	50	30		IKEARN
N#Cc1ccc(Oc2ccc(-c3ccc(Oc4ccc(C#N)c(C#N)c4)cc3)cc2)cc1C#N	ZINC000001225236	568741893	/nfs/dbraw/zinc/74/18/93/568741893.db2.gz	GCQXFKBSPSLVPY-UHFFFAOYSA-N	0	0	438.446	6.425	50	30		IKEARN
N#C[C@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1	ZINC000012526608	568742575	/nfs/dbraw/zinc/74/25/75/568742575.db2.gz	MQMNMFLOTFXECD-BVAGGSTKSA-N	0	0	431.967	5.002	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1	ZINC000002066841	568742579	/nfs/dbraw/zinc/74/25/79/568742579.db2.gz	LEWAGCDJPBWOJU-HSZRJFAPSA-N	0	0	425.569	5.423	50	30		IKEARN
N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@H](O)c1ccc(-c2ccccc2)cc1	ZINC000012526609	568742592	/nfs/dbraw/zinc/74/25/92/568742592.db2.gz	MQMNMFLOTFXECD-JYFHCDHNSA-N	0	0	431.967	5.002	50	30		IKEARN
CCc1ccc(/C=C2\Oc3cc(OC(=O)c4c(OC)cccc4OC)ccc3C2=O)cc1	ZINC000002102639	568742772	/nfs/dbraw/zinc/74/27/72/568742772.db2.gz	PXNVXVSYDJWJDI-UCQKPKSFSA-N	0	0	430.456	5.102	50	30	biogenic	IKEARN
C=CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(Cl)cc2)c1C#N	ZINC000003214544	568743111	/nfs/dbraw/zinc/74/31/11/568743111.db2.gz	BSYDUKZHIOBFTL-UHFFFAOYSA-N	0	0	433.964	6.421	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc3ccccc3o2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003284668	568744975	/nfs/dbraw/zinc/74/49/75/568744975.db2.gz	QXIYNKUKQCWMMJ-UHFFFAOYSA-N	0	0	431.561	6.150	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)CCCOc3ccc(Br)cc3)cc2)cc1	ZINC000003359135	568747057	/nfs/dbraw/zinc/74/70/57/568747057.db2.gz	XFQKUQCCIZCJCK-UHFFFAOYSA-N	0	0	436.305	5.752	50	30		IKEARN
Oc1ccccc1/C=N/c1ccc2oc(-c3cccc(I)c3)nc2c1	ZINC000001226966	568750663	/nfs/dbraw/zinc/75/06/63/568750663.db2.gz	SUCBWFPUWPUFIQ-WSDLNYQXSA-N	0	0	440.240	5.556	50	30		IKEARN
CC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1	ZINC000003620943	568751850	/nfs/dbraw/zinc/75/18/50/568751850.db2.gz	NXPSCNHCWFSEKP-USMPFQSLSA-N	0	0	444.372	7.625	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003627457	568751921	/nfs/dbraw/zinc/75/19/21/568751921.db2.gz	KXNMAIAKSBGCKU-SZNDQCEHSA-N	0	0	435.014	5.765	50	30		IKEARN
O=C1SC(c2cc(I)ccc2Cl)=N/C1=C/c1cccs1	ZINC000003663529	568753599	/nfs/dbraw/zinc/75/35/99/568753599.db2.gz	QBBPKFLNJQFYRK-KPKJPENVSA-N	0	0	431.707	5.067	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1	ZINC000003664712	568753636	/nfs/dbraw/zinc/75/36/36/568753636.db2.gz	MVTQGERUFVZPPG-XLNRJJMWSA-N	0	0	436.548	6.424	50	30	biogenic	IKEARN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)c(Cl)c1	ZINC000003667124	568753905	/nfs/dbraw/zinc/75/39/05/568753905.db2.gz	WYLWXAZWCMBLPD-PGGKNCGUSA-N	0	0	429.181	6.931	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@@H]2c1ccccc1	ZINC000003669376	568754098	/nfs/dbraw/zinc/75/40/98/568754098.db2.gz	IFJGOADHVDIMSW-XMMPIXPASA-N	0	0	446.547	6.407	50	30		IKEARN
Cc1ccc(N2C3=C(C(=O)c4ccccc43)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)cc1	ZINC000003671309	568754123	/nfs/dbraw/zinc/75/41/23/568754123.db2.gz	SKIJVPGAWKSSJO-AREMUKBSSA-N	0	0	445.562	6.850	50	30		IKEARN
Clc1ccc(-c2csc(N=NCc3ccccc3I)n2)cc1	ZINC000031854517	568758494	/nfs/dbraw/zinc/75/84/94/568758494.db2.gz	FITZKZSTEJSYAX-OCKHKDLRSA-N	0	0	439.709	5.514	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1	ZINC000004035913	568759662	/nfs/dbraw/zinc/75/96/62/568759662.db2.gz	MIWCWTRTLAOELW-KDYSTLNUSA-N	0	0	435.527	5.392	50	30		IKEARN
CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C/c1ccccc1	ZINC000031934207	568759889	/nfs/dbraw/zinc/75/98/89/568759889.db2.gz	ACCFKNZQUIQRHI-PGMHBOJBSA-N	0	0	440.568	6.152	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004062250	568760023	/nfs/dbraw/zinc/76/00/23/568760023.db2.gz	RPJYQERFYOCLIV-XHCCPWGMSA-N	0	0	444.962	6.718	50	30		IKEARN
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1O	ZINC000004067182	568760207	/nfs/dbraw/zinc/76/02/07/568760207.db2.gz	XRASRYOFCAQIFR-JFLMPSFJSA-N	0	0	443.890	6.380	50	30		IKEARN
Cc1c(C(=O)C2=C3SC=C(c4ccc(Cl)cc4)N3CCCC2)cccc1[N+](=O)[O-]	ZINC000012651124	568774370	/nfs/dbraw/zinc/77/43/70/568774370.db2.gz	JMVAEGZWTFUNRC-UHFFFAOYSA-N	0	0	426.925	6.182	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3	ZINC000001245848	568774661	/nfs/dbraw/zinc/77/46/61/568774661.db2.gz	ZHSQQFRKGJRADX-GOSISDBHSA-N	0	0	426.607	5.272	50	30		IKEARN
CC(=O)N(c1ccc(C(C)C)c(C)c1)C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O	ZINC000004105625	568775398	/nfs/dbraw/zinc/77/53/98/568775398.db2.gz	YUYVEBDCNKQKET-UHFFFAOYSA-N	0	0	430.548	5.248	50	30		IKEARN
COc1ccc(NC(=O)c2c(/N=C/c3ccc(N(C)C)cc3)sc3c2CCC3)c(OC)c1	ZINC000004108598	568775568	/nfs/dbraw/zinc/77/55/68/568775568.db2.gz	CRXDTZOKMNTLSJ-CVKSISIWSA-N	0	0	449.576	5.323	50	30		IKEARN
O=P(C(=Nc1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1	ZINC000263621595	568778360	/nfs/dbraw/zinc/77/83/60/568778360.db2.gz	WTPPPBXALHACPX-UHFFFAOYSA-N	0	0	436.968	5.978	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC	ZINC000083313489	568779431	/nfs/dbraw/zinc/77/94/31/568779431.db2.gz	FAEGEQUQYWQHDI-GCNWNYGFSA-N	0	0	444.556	6.031	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC	ZINC000083313528	568779465	/nfs/dbraw/zinc/77/94/65/568779465.db2.gz	VXHMWLUKQHOKRS-SBEYKLCGSA-N	0	0	426.585	6.928	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000025814165	568782634	/nfs/dbraw/zinc/78/26/34/568782634.db2.gz	PTRJOSTZQFKGOQ-UHFFFAOYSA-N	0	0	441.556	5.200	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc([C@H](C)CC)cc2)cc1	ZINC000045940395	568783620	/nfs/dbraw/zinc/78/36/20/568783620.db2.gz	QPMQWDBMOYDOTH-LJQANCHMSA-N	0	0	430.552	5.392	50	30		IKEARN
COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000001389519	568784867	/nfs/dbraw/zinc/78/48/67/568784867.db2.gz	CTIPLYGVRCKMJB-XIJKMBGTSA-N	0	0	431.488	5.157	50	30		IKEARN
CC(=NOC(=O)Nc1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCCC1	ZINC000001402129	568786633	/nfs/dbraw/zinc/78/66/33/568786633.db2.gz	SHVZUTCAODFNQR-ZRGSRPPYSA-N	0	0	426.826	5.327	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccccc1F)N=C(SCc1cnc(Cl)s1)N2	ZINC000001406993	568787284	/nfs/dbraw/zinc/78/72/84/568787284.db2.gz	PHTZGMYJYIDWCB-GOSISDBHSA-N	0	0	441.940	5.477	50	30		IKEARN
CN(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000001413305	568790183	/nfs/dbraw/zinc/79/01/83/568790183.db2.gz	HTCTYIXEIVFTFI-QFIPXVFZSA-N	0	0	432.907	5.189	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2cccs2)cc1	ZINC000001414720	568790316	/nfs/dbraw/zinc/79/03/16/568790316.db2.gz	ADEQEXZDXRBQOC-HSZRJFAPSA-N	0	0	442.540	5.359	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2cccs2)cc1	ZINC000001414719	568790400	/nfs/dbraw/zinc/79/04/00/568790400.db2.gz	ADEQEXZDXRBQOC-QHCPKHFHSA-N	0	0	442.540	5.359	50	30		IKEARN
FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl	ZINC000100037113	568791130	/nfs/dbraw/zinc/79/11/30/568791130.db2.gz	GGRHPDUABIVHSS-UHFFFAOYSA-N	0	0	436.517	5.895	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016731469	568792588	/nfs/dbraw/zinc/79/25/88/568792588.db2.gz	IVDPNZJDFYAFMR-DEOSSOPVSA-N	0	0	444.506	5.431	50	30		IKEARN
C=CCc1c2c(cc(Br)c1O)n(Cc1ccccc1)c(C)c2C(=O)OCC	ZINC000096557912	568792983	/nfs/dbraw/zinc/79/29/83/568792983.db2.gz	RWZRVUUHFIZYGG-UHFFFAOYSA-N	0	0	428.326	5.371	50	30		IKEARN
Cc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1	ZINC000001429563	568794310	/nfs/dbraw/zinc/79/43/10/568794310.db2.gz	QTVPNSUSRZFCHD-IBGZPJMESA-N	0	0	444.600	5.971	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccsc1	ZINC000001429678	568794608	/nfs/dbraw/zinc/79/46/08/568794608.db2.gz	WQHQQWGORFXHFO-INIZCTEOSA-N	0	0	436.602	5.724	50	30		IKEARN
Cc1ccsc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCCC3)C2=C1C(=O)CCC2	ZINC000001431973	568795080	/nfs/dbraw/zinc/79/50/80/568795080.db2.gz	WWBBNFSDPRWCRJ-INIZCTEOSA-N	0	0	436.602	5.786	50	30		IKEARN
N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@H]1Cc2ccccc2NC1=O	ZINC000084579384	568799042	/nfs/dbraw/zinc/79/90/42/568799042.db2.gz	NAFHPBJNPRFUPK-INIZCTEOSA-N	0	0	435.936	5.470	50	30		IKEARN
C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1	ZINC000084687082	568800014	/nfs/dbraw/zinc/80/00/14/568800014.db2.gz	JXLFGOSYBSSLLA-UGSOOPFHSA-N	0	0	435.936	5.787	50	30		IKEARN
C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1	ZINC000004648757	568804211	/nfs/dbraw/zinc/80/42/11/568804211.db2.gz	YRGLKFYABDJLHS-BPYKYCOYSA-N	0	0	426.626	7.026	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1cccc(Br)c1	ZINC000001441359	568811479	/nfs/dbraw/zinc/81/14/79/568811479.db2.gz	SNPWNIQIXNDINI-OAQYLSRUSA-N	0	0	433.349	6.198	50	30		IKEARN
C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1	ZINC000008395995	568812647	/nfs/dbraw/zinc/81/26/47/568812647.db2.gz	LCNDWZKLFJMSFO-OCKHKDLRSA-N	0	0	431.822	5.092	50	30		IKEARN
C=CCN1c2ccccc2C(c2c(C)[nH]c3ccccc32)(c2c(C)[nH]c3ccccc32)C1=O	ZINC000008398332	568812770	/nfs/dbraw/zinc/81/27/70/568812770.db2.gz	BVWDWWSPNHIOOC-UHFFFAOYSA-N	0	0	431.539	6.133	50	30		IKEARN
C=CCSc1nnc(-c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)n1C	ZINC000008636646	568815299	/nfs/dbraw/zinc/81/52/99/568815299.db2.gz	ZBHLWMMEKNJMJQ-UHFFFAOYSA-N	0	0	439.544	5.818	50	30		IKEARN
C=CCOc1ccc(C(=O)Nc2ccccc2OCc2ccccc2)cc1Br	ZINC000008905938	568816721	/nfs/dbraw/zinc/81/67/21/568816721.db2.gz	LOQPFMAWMNZAOM-UHFFFAOYSA-N	0	0	438.321	5.845	50	30		IKEARN
C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1ccc(OC)cc1	ZINC000009096330	568817844	/nfs/dbraw/zinc/81/78/44/568817844.db2.gz	RIGIEMMPMXDCQK-UHFFFAOYSA-N	0	0	432.549	5.089	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(OC)c1	ZINC000009308025	568818030	/nfs/dbraw/zinc/81/80/30/568818030.db2.gz	KPEKPZKTIHVXRU-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc21	ZINC000009307444	568818255	/nfs/dbraw/zinc/81/82/55/568818255.db2.gz	BHEXROACNNWJNJ-UHFFFAOYSA-N	0	0	444.560	5.236	50	30		IKEARN
C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1	ZINC000009261390	568818420	/nfs/dbraw/zinc/81/84/20/568818420.db2.gz	ZFKYBTJBMVUEDZ-UHFFFAOYSA-N	0	0	438.641	5.717	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(OC)c1	ZINC000009478576	568818864	/nfs/dbraw/zinc/81/88/64/568818864.db2.gz	WWNVOCWEXRUHLP-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(Cl)c1	ZINC000009497762	568818986	/nfs/dbraw/zinc/81/89/86/568818986.db2.gz	TZAKUXOMXMWHQF-UHFFFAOYSA-N	0	0	447.391	5.786	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1	ZINC000009496908	568819014	/nfs/dbraw/zinc/81/90/14/568819014.db2.gz	IKSUGMGZGVCFNK-UHFFFAOYSA-N	0	0	436.581	5.206	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCC(C)C)c1	ZINC000001457577	568819225	/nfs/dbraw/zinc/81/92/25/568819225.db2.gz	UJWDWCLPKQFNQL-HHHXNRCGSA-N	0	0	446.591	6.274	50	30		IKEARN
COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OC	ZINC000006075248	568820611	/nfs/dbraw/zinc/82/06/11/568820611.db2.gz	FFQWKIASRBTZQZ-CQSZACIVSA-N	0	0	428.554	5.049	50	30		IKEARN
C=CCN(C(=O)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1)c1ccccc1	ZINC000006073501	568821051	/nfs/dbraw/zinc/82/10/51/568821051.db2.gz	RNNSAIYWPLHPNB-UHFFFAOYSA-N	0	0	439.518	6.922	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000006077344	568821199	/nfs/dbraw/zinc/82/11/99/568821199.db2.gz	IROPHWKZMNPUBU-HOYKHHGWSA-N	0	0	441.556	5.143	50	30		IKEARN
CC/N=C1/S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C(=O)N1CC	ZINC000006077069	568821204	/nfs/dbraw/zinc/82/12/04/568821204.db2.gz	RMTUHCAVCPTPNJ-MKIITAJQSA-N	0	0	437.540	5.172	50	30		IKEARN
CCOC(=O)c1ccccc1CSc1nc(-c2ccccc2)cc(C(F)(F)F)c1C#N	ZINC000006089621	568821715	/nfs/dbraw/zinc/82/17/15/568821715.db2.gz	SVGFQZFJJCUHQZ-UHFFFAOYSA-N	0	0	442.462	6.108	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013804626	568824139	/nfs/dbraw/zinc/82/41/39/568824139.db2.gz	YVZPNBNVFLPMLM-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(OC)c1	ZINC000013805850	568824176	/nfs/dbraw/zinc/82/41/76/568824176.db2.gz	JDONSFYHFXJKLW-UHFFFAOYSA-N	0	0	430.533	5.024	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(OC)c1	ZINC000013805874	568824226	/nfs/dbraw/zinc/82/42/26/568824226.db2.gz	YVOQAGVWVKNBDH-UHFFFAOYSA-N	0	0	442.972	5.141	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(Cl)cc1	ZINC000013805245	568824318	/nfs/dbraw/zinc/82/43/18/568824318.db2.gz	NLXOUIIMGJKIFX-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(F)cc1	ZINC000014081661	568824829	/nfs/dbraw/zinc/82/48/29/568824829.db2.gz	RAJQKNJIQWKQAB-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
Cc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12	ZINC000085581300	568825184	/nfs/dbraw/zinc/82/51/84/568825184.db2.gz	ZREVAAJPLAJOMA-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)c1	ZINC000085581331	568825335	/nfs/dbraw/zinc/82/53/35/568825335.db2.gz	XRWBHXFDZHYJLF-UHFFFAOYSA-N	0	0	440.547	5.234	50	30	biogenic	IKEARN
O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccccc1F)c1cccc(Cl)c1	ZINC000085581370	568825339	/nfs/dbraw/zinc/82/53/39/568825339.db2.gz	RJCOITGPVSRKHC-UHFFFAOYSA-N	0	0	434.902	5.401	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2	ZINC000015016048	568828024	/nfs/dbraw/zinc/82/80/24/568828024.db2.gz	PMQUCLBJRMCWRZ-FQEVSTJZSA-N	0	0	442.903	5.053	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)N(C(C)=O)c1ccccc1-2	ZINC000015016047	568828147	/nfs/dbraw/zinc/82/81/47/568828147.db2.gz	PMQUCLBJRMCWRZ-HXUWFJFHSA-N	0	0	442.903	5.053	50	30		IKEARN
C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000016138509	568829246	/nfs/dbraw/zinc/82/92/46/568829246.db2.gz	YONRPDQDFRYVNA-UHFFFAOYSA-N	0	0	444.516	5.091	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1	ZINC000016736344	568830102	/nfs/dbraw/zinc/83/01/02/568830102.db2.gz	KXLSWFREAWKRQB-DEOSSOPVSA-N	0	0	438.483	5.119	50	30		IKEARN
C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1	ZINC000016729095	568830444	/nfs/dbraw/zinc/83/04/44/568830444.db2.gz	QULULZOGETZRPS-UHFFFAOYSA-N	0	0	444.453	6.635	50	30		IKEARN
C=C(C)COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1OCC	ZINC000000651597	568831818	/nfs/dbraw/zinc/83/18/18/568831818.db2.gz	WIQOQWWTANIOJY-WQRHYEAKSA-N	0	0	442.309	5.147	50	30		IKEARN
C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc(Cl)c2)CC1	ZINC000000758976	568832193	/nfs/dbraw/zinc/83/21/93/568832193.db2.gz	NRLHFCLKMFBIIK-HRFSGMKKSA-N	0	0	438.011	6.607	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O	ZINC000001502298	568832228	/nfs/dbraw/zinc/83/22/28/568832228.db2.gz	WKQNFYQFYMPNFW-YDZHTSKRSA-N	0	0	425.282	5.166	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2ccsc2)n1	ZINC000018059749	568832339	/nfs/dbraw/zinc/83/23/39/568832339.db2.gz	MZPAAWHGHGFLMU-HXOBKFHXSA-N	0	0	445.544	5.045	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@H]2c2cccs2)n1	ZINC000018067550	568832449	/nfs/dbraw/zinc/83/24/49/568832449.db2.gz	IYRMYBMNAPPNAO-GYCJOSAFSA-N	0	0	445.544	5.045	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O	ZINC000000979896	568832546	/nfs/dbraw/zinc/83/25/46/568832546.db2.gz	NFVZSOFQOSJYBQ-XDHOZWIPSA-N	0	0	445.899	5.126	50	30		IKEARN
C=C(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCCC3	ZINC000000984891	568832575	/nfs/dbraw/zinc/83/25/75/568832575.db2.gz	IRMFWFPQJJZJIZ-UHFFFAOYSA-N	0	0	445.009	5.541	50	30		IKEARN
C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O	ZINC000001142835	568833097	/nfs/dbraw/zinc/83/30/97/568833097.db2.gz	WSXDEYBECJSIPL-WQRHYEAKSA-N	0	0	448.313	5.390	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1	ZINC000001112926	568833175	/nfs/dbraw/zinc/83/31/75/568833175.db2.gz	GSPLOJSFDINSTI-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2ccsc2)n1	ZINC000018098550	568833456	/nfs/dbraw/zinc/83/34/56/568833456.db2.gz	MZPAAWHGHGFLMU-GAJHUEQPSA-N	0	0	445.544	5.045	50	30		IKEARN
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1	ZINC000001467950	568833908	/nfs/dbraw/zinc/83/39/08/568833908.db2.gz	NUAXAFFYXXNHLP-UHFFFAOYSA-N	0	0	426.520	5.068	50	30		IKEARN
Cc1nc(SCC(=O)c2cc3ccccc3oc2=O)c(C#N)c(C)c1Cc1ccccc1	ZINC000001505965	568834009	/nfs/dbraw/zinc/83/40/09/568834009.db2.gz	DBOQRURVMNWLTO-UHFFFAOYSA-N	0	0	440.524	5.242	50	30		IKEARN
C=CCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OC	ZINC000002093791	568834476	/nfs/dbraw/zinc/83/44/76/568834476.db2.gz	PLUAGGAJIIMUKK-UHFFFAOYSA-N	0	0	443.712	5.439	50	30		IKEARN
C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O	ZINC000002099712	568834515	/nfs/dbraw/zinc/83/45/15/568834515.db2.gz	VNCULZCXSZTEGR-JMIUGGIZSA-N	0	0	441.339	5.666	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3	ZINC000002183462	568834613	/nfs/dbraw/zinc/83/46/13/568834613.db2.gz	YAMQBWHQAPQMQQ-GOSISDBHSA-N	0	0	438.662	6.326	50	30		IKEARN
C=CCOc1ccc(Br)cc1/C=C1\SC(=N)N(c2ccc(F)cc2)C1=O	ZINC000002155157	568834635	/nfs/dbraw/zinc/83/46/35/568834635.db2.gz	XPDIZTQXAOYALJ-ZJNHSXOMSA-N	0	0	433.302	5.209	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)c(Cl)c1)CCCC3	ZINC000002182006	568834689	/nfs/dbraw/zinc/83/46/89/568834689.db2.gz	UJWCCHCGJITOMV-UHFFFAOYSA-N	0	0	437.417	6.122	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2	ZINC000002294130	568834839	/nfs/dbraw/zinc/83/48/39/568834839.db2.gz	GYIIWBFUWQUOAX-UHFFFAOYSA-N	0	0	442.584	5.391	50	30	biogenic	IKEARN
C=CCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2	ZINC000002295716	568834863	/nfs/dbraw/zinc/83/48/63/568834863.db2.gz	UIFLNHOJCKXOKB-UHFFFAOYSA-N	0	0	428.601	6.244	50	30	biogenic	IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3	ZINC000002270797	568834870	/nfs/dbraw/zinc/83/48/70/568834870.db2.gz	PCLCVDPQLMETQG-QGZVFWFLSA-N	0	0	438.662	6.575	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc3ccccc3c1)sc1c2CCCC1	ZINC000002376197	568835004	/nfs/dbraw/zinc/83/50/04/568835004.db2.gz	CQTGEOOETMZJJH-UHFFFAOYSA-N	0	0	446.597	5.651	50	30		IKEARN
O=C(OCC#CCSc1nc2ccccc2s1)c1sc2ccccc2c1Cl	ZINC000002364116	568835195	/nfs/dbraw/zinc/83/51/95/568835195.db2.gz	CAORSIGXIXVGMJ-UHFFFAOYSA-N	0	0	429.975	6.117	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C	ZINC000002329760	568835196	/nfs/dbraw/zinc/83/51/96/568835196.db2.gz	BOYNGJGSEKFICA-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(F)cc1	ZINC000002327852	568835231	/nfs/dbraw/zinc/83/52/31/568835231.db2.gz	NIJIXVLMUSLXCA-UHFFFAOYSA-N	0	0	436.434	5.020	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1C	ZINC000002352460	568835248	/nfs/dbraw/zinc/83/52/48/568835248.db2.gz	RERAQACNWOVZFG-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1	ZINC000002449448	568835935	/nfs/dbraw/zinc/83/59/35/568835935.db2.gz	GKEQMIPWZCXCJY-UHFFFAOYSA-N	0	0	442.544	5.654	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C)cc1	ZINC000002450500	568835960	/nfs/dbraw/zinc/83/59/60/568835960.db2.gz	UEDMWZWQWHSBGG-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)n1	ZINC000001176655	568836664	/nfs/dbraw/zinc/83/66/64/568836664.db2.gz	KEFQWZYOJXNKTN-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)c1	ZINC000018175840	568836898	/nfs/dbraw/zinc/83/68/98/568836898.db2.gz	IEPDSHZEDUXBDJ-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
O=C(Cc1ccccc1)ON[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl	ZINC000003137404	568841788	/nfs/dbraw/zinc/84/17/88/568841788.db2.gz	NGEHLXNHZGFHNT-HNNXBMFYSA-N	0	0	443.541	5.359	50	30		IKEARN
COc1ccc(/C=N/c2ccc(/C=C/c3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1	ZINC000018057377	568842383	/nfs/dbraw/zinc/84/23/83/568842383.db2.gz	OVYNLEMXCIOVNA-CZJFJFIFSA-N	0	0	446.550	7.375	50	30		IKEARN
O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(OC(F)(F)F)cc1	ZINC000100457318	568843407	/nfs/dbraw/zinc/84/34/07/568843407.db2.gz	BLYFWSRLWCELBW-LGJNPRDNSA-N	0	0	446.450	5.772	50	30		IKEARN
Cc1ccc(S(=O)(=O)NN=C2C[C@]34CC(=O)C[C@@]3(C2)CCCCCCCCCC4)cc1	ZINC000045072058	568843411	/nfs/dbraw/zinc/84/34/11/568843411.db2.gz	HEXSWHUJJPULAI-PLQXJYEYSA-N	0	0	444.641	5.673	50	30		IKEARN
O=C1CCCC(=O)C1[C@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12	ZINC000101082253	568843722	/nfs/dbraw/zinc/84/37/22/568843722.db2.gz	UXFUODISDMCESE-WNDOJPOZSA-N	0	0	438.592	7.010	50	30		IKEARN
CNC(=S)N=NCc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1	ZINC000006132254	568844995	/nfs/dbraw/zinc/84/49/95/568844995.db2.gz	AZCLOPMDTCYMJB-GZIVZEMBSA-N	0	0	432.760	5.074	50	30		IKEARN
CCNC(=S)N=NCc1ccc(OCc2c(Cl)ccc(Cl)c2Cl)c(OC)c1	ZINC000006132089	568844996	/nfs/dbraw/zinc/84/49/96/568844996.db2.gz	PASQXNYMKAZVPV-NUGSKGIGSA-N	0	0	446.787	5.464	50	30		IKEARN
Cc1ccc(-c2nnc(N=NCc3c(Cl)nc4ccccn43)c3ccccc32)cc1C	ZINC000006147629	568846455	/nfs/dbraw/zinc/84/64/55/568846455.db2.gz	CKMQGCMYEBKNGI-VULFUBBASA-N	0	0	426.911	5.661	50	30		IKEARN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861790	568848190	/nfs/dbraw/zinc/84/81/90/568848190.db2.gz	VVWRIFLZGXTUFT-LCQNATCMSA-N	0	0	441.660	6.509	50	30		IKEARN
Fc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861789	568848245	/nfs/dbraw/zinc/84/82/45/568848245.db2.gz	VVWRIFLZGXTUFT-OSQOMCJFSA-N	0	0	441.660	6.509	50	30		IKEARN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861782	568848272	/nfs/dbraw/zinc/84/82/72/568848272.db2.gz	SMXIDLKERQIBJL-HFNVWCFFSA-N	0	0	448.680	6.242	50	30		IKEARN
CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1[NH+]1CCCC1	ZINC000015861660	568848371	/nfs/dbraw/zinc/84/83/71/568848371.db2.gz	DATKXTKVNMQNCR-VQGADMMLSA-N	0	0	446.664	5.564	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCCC1	ZINC000015867227	568850804	/nfs/dbraw/zinc/85/08/04/568850804.db2.gz	IEXMAOLARYSGDZ-SANMLTNESA-N	0	0	449.620	5.567	50	30		IKEARN
CCOc1ccc(NC(=O)CSc2nc(C3CC3)cc(-c3cccs3)c2C#N)cc1	ZINC000006173978	568850958	/nfs/dbraw/zinc/85/09/58/568850958.db2.gz	JTFRSLUAPHZAPA-UHFFFAOYSA-N	0	0	435.574	5.689	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(Cl)c3)c2c1	ZINC000015880503	568854871	/nfs/dbraw/zinc/85/48/71/568854871.db2.gz	UTVHGLMWKNPVFA-UHFFFAOYSA-N	0	0	447.918	6.969	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2C)nnc1SCc1csc(-c2ccccc2)n1	ZINC000019648054	568854931	/nfs/dbraw/zinc/85/49/31/568854931.db2.gz	FGBRHWWUCDLYOY-UHFFFAOYSA-N	0	0	448.617	6.076	50	30		IKEARN
COc1ccc([C@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1	ZINC000019720501	568855145	/nfs/dbraw/zinc/85/51/45/568855145.db2.gz	CVQOIDCXJPQFCP-GDLZYMKVSA-N	0	0	437.539	5.098	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S	ZINC000019798802	568855178	/nfs/dbraw/zinc/85/51/78/568855178.db2.gz	UXGATXLGXPZDJJ-WOJGMQOQSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1cccc(C)c1	ZINC000019810529	568855283	/nfs/dbraw/zinc/85/52/83/568855283.db2.gz	JRAJCBXEPCRNTD-UHFFFAOYSA-N	0	0	442.972	5.141	50	30		IKEARN
C=CCN(CC=C)C(=O)Nc1ccc(Cc2ccc(NC(=O)N(CC=C)CC=C)cc2)cc1	ZINC000019911618	568855518	/nfs/dbraw/zinc/85/55/18/568855518.db2.gz	CZZUSEGIHHQRBY-UHFFFAOYSA-N	0	0	444.579	5.689	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)c1C	ZINC000025394003	568861698	/nfs/dbraw/zinc/86/16/98/568861698.db2.gz	NXRHIXYVJWQZKC-UHFFFAOYSA-N	0	0	431.561	5.613	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC	ZINC000027015934	568863035	/nfs/dbraw/zinc/86/30/35/568863035.db2.gz	YUNPFLNEIAXJAO-QPLCGJKRSA-N	0	0	445.544	5.797	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(C(F)(F)F)c1	ZINC000027015880	568863036	/nfs/dbraw/zinc/86/30/36/568863036.db2.gz	CMYDKTBWKIVQDK-MEFGMAGPSA-N	0	0	431.483	5.921	50	30		IKEARN
C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl	ZINC000027489067	568863676	/nfs/dbraw/zinc/86/36/76/568863676.db2.gz	NGXZIJVSPYQWFT-DEOSSOPVSA-N	0	0	433.338	6.873	50	30		IKEARN
N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1F	ZINC000016037717	568867957	/nfs/dbraw/zinc/86/79/57/568867957.db2.gz	SPHGPQZGQGWSKW-KPMSJEMISA-N	0	0	427.317	5.121	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1cccc(F)c1	ZINC000006181466	568869011	/nfs/dbraw/zinc/86/90/11/568869011.db2.gz	CRBUWOMAQORABC-UHFFFAOYSA-N	0	0	432.520	5.516	50	30		IKEARN
C=CCN(CC=C)/C(=N/c1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(C)cc1	ZINC000585152261	568872617	/nfs/dbraw/zinc/87/26/17/568872617.db2.gz	HQHGGBVUQIBVEO-TVKQRKNISA-N	0	0	449.623	7.538	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccnc3)nc2c(C)c1	ZINC000006193473	568876612	/nfs/dbraw/zinc/87/66/12/568876612.db2.gz	DCNKZFLYBRJGTL-NRFANRHFSA-N	0	0	441.512	5.091	50	30		IKEARN
C=C(C)[C@@H]1CC=C(CN2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc(Cl)c2)CC1	ZINC000000758974	568880263	/nfs/dbraw/zinc/88/02/63/568880263.db2.gz	NRLHFCLKMFBIIK-NFQMXDRXSA-N	0	0	438.011	6.607	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000118914734	568886295	/nfs/dbraw/zinc/88/62/95/568886295.db2.gz	PMBSWZWCNKVWLV-DCQSCMHASA-N	0	0	442.684	7.139	50	30		IKEARN
CCOC(=O)c1sc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)c(C#N)c1C	ZINC000016393216	568887322	/nfs/dbraw/zinc/88/73/22/568887322.db2.gz	FEKBIOLQGRQXGS-INIZCTEOSA-N	0	0	434.517	5.178	50	30		IKEARN
CCCCCCCC(=O)NN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S	ZINC000001738130	568889242	/nfs/dbraw/zinc/88/92/42/568889242.db2.gz	NTJKHOOIWJRPBH-QINSGFPZSA-N	0	0	441.416	5.042	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1	ZINC000016407222	568893625	/nfs/dbraw/zinc/89/36/25/568893625.db2.gz	PUCWMQPOZPMPRH-OQLLNIDSSA-N	0	0	431.488	5.008	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(C2CCCCC2)cc1	ZINC000015912254	568894192	/nfs/dbraw/zinc/89/41/92/568894192.db2.gz	QFICQXIMVRKLIZ-ISLYRVAYSA-N	0	0	433.555	6.878	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000104190273	568900846	/nfs/dbraw/zinc/90/08/46/568900846.db2.gz	CLNFXIVJWWQZBD-NHFXJNLRSA-N	0	0	432.545	5.375	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000104086762	568901389	/nfs/dbraw/zinc/90/13/89/568901389.db2.gz	NXUKRGQBLOKKPD-MRJHHRETSA-N	0	0	448.316	5.384	50	30		IKEARN
CC(=O)/C(=N\Nc1ccccc1C)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000001744185	568902918	/nfs/dbraw/zinc/90/29/18/568902918.db2.gz	VMOUKQMRCDQQTI-SLEBQGDGSA-N	0	0	427.533	5.349	50	30		IKEARN
Brc1cccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)c1	ZINC000001780519	568906956	/nfs/dbraw/zinc/90/69/56/568906956.db2.gz	JPZGNUNKPMEWKH-BUVRLJJBSA-N	0	0	449.377	5.882	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3Br)C2=O)cc1	ZINC000001786097	568907664	/nfs/dbraw/zinc/90/76/64/568907664.db2.gz	TXJFSAFYZUTJFZ-ATVHPVEESA-N	0	0	432.364	5.420	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3	ZINC000001788742	568907796	/nfs/dbraw/zinc/90/77/96/568907796.db2.gz	HHFMRROVQOTGGR-UHFFFAOYSA-N	0	0	428.648	5.992	50	30		IKEARN
CCCCCCCCOc1ccc(-c2cc(=O)oc(-c3ccc(OC)c(OC)c3)n2)cc1	ZINC000001796178	568908151	/nfs/dbraw/zinc/90/81/51/568908151.db2.gz	UPWOEDKRSKNQRD-UHFFFAOYSA-N	0	0	437.536	6.125	50	30		IKEARN
Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C#N)CCC4)n1)CCCC3	ZINC000001801810	568908449	/nfs/dbraw/zinc/90/84/49/568908449.db2.gz	ZUKCMCRFKBGROB-UHFFFAOYSA-N	0	0	440.619	5.031	50	30		IKEARN
Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)c2c1C	ZINC000001801776	568908511	/nfs/dbraw/zinc/90/85/11/568908511.db2.gz	QFUJEGWHMGYJGQ-UHFFFAOYSA-N	0	0	428.608	5.241	50	30		IKEARN
CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-]	ZINC000001840597	568916311	/nfs/dbraw/zinc/91/63/11/568916311.db2.gz	UCTZFVOFMWJZOB-CQSZACIVSA-N	0	0	427.526	5.330	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc([N+](=O)[O-])cc1	ZINC000001877151	568917227	/nfs/dbraw/zinc/91/72/27/568917227.db2.gz	WPSMDUNFYWSLRB-JAIQZWGSSA-N	0	0	439.782	5.223	50	30		IKEARN
Cc1cc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)oc2cc1C	ZINC000001878339	568917309	/nfs/dbraw/zinc/91/73/09/568917309.db2.gz	QIDWNTMDEVZCRT-ZLNXDXECSA-N	0	0	431.333	7.290	50	30		IKEARN
COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O	ZINC000001882813	568917397	/nfs/dbraw/zinc/91/73/97/568917397.db2.gz	SZVUSUBQCFYEGN-KIBLKLHPSA-N	0	0	447.705	6.920	50	30		IKEARN
C#CCOc1cccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)c1	ZINC000006463060	568919525	/nfs/dbraw/zinc/91/95/25/568919525.db2.gz	PKDBUMFGQCFBJW-UHFFFAOYSA-N	0	0	431.576	5.404	50	30		IKEARN
S=C(N/N=C/c1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21	ZINC000001951321	568923885	/nfs/dbraw/zinc/92/38/85/568923885.db2.gz	SMYQABHVRVYBGC-WYMPLXKRSA-N	0	0	428.344	5.687	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(-c4nc5ccccc5s4)cc3)cc2)cc1	ZINC000001951868	568923887	/nfs/dbraw/zinc/92/38/87/568923887.db2.gz	HENRLSVJJPRDNY-RDRPBHBLSA-N	0	0	448.547	7.306	50	30		IKEARN
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1	ZINC000006500816	568927884	/nfs/dbraw/zinc/92/78/84/568927884.db2.gz	OUUOMCCLLYKORX-MONKAWABSA-N	0	0	439.581	5.072	50	30		IKEARN
COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1	ZINC000064473589	568930533	/nfs/dbraw/zinc/93/05/33/568930533.db2.gz	YWZMOPFMPFKINM-UHFFFAOYSA-N	0	0	428.536	5.094	50	30		IKEARN
CCOc1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1	ZINC000064473811	568930537	/nfs/dbraw/zinc/93/05/37/568930537.db2.gz	IJKWRCXHQRJKCV-UHFFFAOYSA-N	0	0	434.927	5.014	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3o2)cc1	ZINC000027017093	568937948	/nfs/dbraw/zinc/93/79/48/568937948.db2.gz	IYWMJZGJVOBLCB-CAPFRKAQSA-N	0	0	429.472	5.667	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccc(C)cc1	ZINC000027024748	568939210	/nfs/dbraw/zinc/93/92/10/568939210.db2.gz	AFMOCADBQBPWKG-QPLCGJKRSA-N	0	0	429.545	6.097	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=Nc1cccc(Cl)c1Cl	ZINC000027024725	568939233	/nfs/dbraw/zinc/93/92/33/568939233.db2.gz	JNKJPJGCLNNFJX-NMWGTECJSA-N	0	0	434.348	6.120	50	30		IKEARN
FC(F)(F)c1cc(-c2ccccc2)nc(N=NCc2ccc(-c3ccc(Cl)cc3)o2)n1	ZINC000027024839	568939293	/nfs/dbraw/zinc/93/92/93/568939293.db2.gz	ROEXEQJCAGNKMJ-UVHMKAGCSA-N	0	0	442.828	6.522	50	30		IKEARN
O=C(/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2o1)c1ccc(Br)cc1	ZINC000027026249	568939476	/nfs/dbraw/zinc/93/94/76/568939476.db2.gz	NTODHMBJEKENAQ-QGOAFFKASA-N	0	0	438.708	6.667	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2cccs2)n1	ZINC000004612992	568940037	/nfs/dbraw/zinc/94/00/37/568940037.db2.gz	IYRMYBMNAPPNAO-FYSMJZIKSA-N	0	0	445.544	5.045	50	30		IKEARN
N#Cc1c(N[C@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002069275	568941279	/nfs/dbraw/zinc/94/12/79/568941279.db2.gz	URUMDWQFFQDLQU-HNNXBMFYSA-N	0	0	434.801	5.098	50	30		IKEARN
CCCCCCCc1ccc(/C=C/c2nc(C3CCC(CCCCCC)CC3)no2)cc1	ZINC000097957810	568989378	/nfs/dbraw/zinc/98/93/78/568989378.db2.gz	UWIOXUNFJMZIPB-BSYVCWPDSA-N	0	0	436.684	8.997	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238882228	569137596	/nfs/dbraw/zinc/13/75/96/569137596.db2.gz	CUSNQPJPCUMNGJ-TXTKFYIRSA-N	0	0	434.490	5.345	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000037229401	569140966	/nfs/dbraw/zinc/14/09/66/569140966.db2.gz	LHZZMHLXKOFUGQ-BRXSEODCSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
CN(C)c1ccc(CN(Cc2ccco2)c2oc(-c3cccc4ccccc43)nc2C#N)cc1	ZINC000170623784	569148336	/nfs/dbraw/zinc/14/83/36/569148336.db2.gz	NSLHPNMEPMSXJX-UHFFFAOYSA-N	0	0	448.526	6.232	50	30		IKEARN
COc1ccccc1N(CCC#N)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1	ZINC000010219903	569152820	/nfs/dbraw/zinc/15/28/20/569152820.db2.gz	LZTKVDUNKWSAKL-UHFFFAOYSA-N	0	0	428.517	5.170	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(Sc3ncccc3[N+](=O)[O-])n2)cc1	ZINC000013575406	569155786	/nfs/dbraw/zinc/15/57/86/569155786.db2.gz	QDTBECQJIOQNNH-UHFFFAOYSA-N	0	0	432.383	5.102	50	30		IKEARN
CC(C)c1c(C#N)c(N)nc(SC(C)(C)C(=O)Nc2cccc(Cl)c2Cl)c1C#N	ZINC000013578788	569155997	/nfs/dbraw/zinc/15/59/97/569155997.db2.gz	WWMRHOKPUNYNJB-UHFFFAOYSA-N	0	0	448.379	5.347	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)n1	ZINC000013579591	569156290	/nfs/dbraw/zinc/15/62/90/569156290.db2.gz	YZGKWOJHNQQHJN-UHFFFAOYSA-N	0	0	442.540	5.050	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000013814908	569157273	/nfs/dbraw/zinc/15/72/73/569157273.db2.gz	YVCXIROPPVUFHA-RUZDIDTESA-N	0	0	441.556	6.467	50	30		IKEARN
Cc1ccc(C)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1	ZINC000016730204	569160502	/nfs/dbraw/zinc/16/05/02/569160502.db2.gz	CCHKETOAVQQHGV-UHFFFAOYSA-N	0	0	447.507	6.048	50	30		IKEARN
CCCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N	ZINC000016733013	569160518	/nfs/dbraw/zinc/16/05/18/569160518.db2.gz	QWVJZLHKSFOJKC-UHFFFAOYSA-N	0	0	446.469	6.859	50	30		IKEARN
N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)n2)c1	ZINC000089851253	569166261	/nfs/dbraw/zinc/16/62/61/569166261.db2.gz	XVRCKAQJLUGAEI-UHFFFAOYSA-N	0	0	445.482	5.200	50	30		IKEARN
C[C@H](NC(=O)CSCc1ccc(C#N)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1	ZINC000089904487	569167038	/nfs/dbraw/zinc/16/70/38/569167038.db2.gz	MKEZSPQIFMKQBD-ZDUSSCGKSA-N	0	0	445.375	5.366	50	30		IKEARN
Cc1nn(CSc2nc(C(F)(F)F)cc(-c3ccccc3)c2C#N)c(C)c1[N+](=O)[O-]	ZINC000017098368	569173403	/nfs/dbraw/zinc/17/34/03/569173403.db2.gz	RTJARSFDGOCJJN-UHFFFAOYSA-N	0	0	433.415	5.110	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000017097827	569173541	/nfs/dbraw/zinc/17/35/41/569173541.db2.gz	JKPXEUQPMGRHHZ-UHFFFAOYSA-N	0	0	432.332	6.021	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000017159994	569175104	/nfs/dbraw/zinc/17/51/04/569175104.db2.gz	GGXZFQFEPIKPTM-MMTVBGGISA-N	0	0	440.518	6.136	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c3ccccc3n2)s1	ZINC000002083625	569177224	/nfs/dbraw/zinc/17/72/24/569177224.db2.gz	WMTVTOKVXOFWPH-UHFFFAOYSA-N	0	0	443.597	6.726	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1	ZINC000002081836	569177263	/nfs/dbraw/zinc/17/72/63/569177263.db2.gz	HGVVCJMXERAYRS-MRXNPFEDSA-N	0	0	442.584	6.647	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1ccc(COc3cccc(Cl)c3)o1)CCCCC2	ZINC000002097895	569178638	/nfs/dbraw/zinc/17/86/38/569178638.db2.gz	JVAMOARCMIRHPO-UHFFFAOYSA-N	0	0	426.925	5.966	50	30		IKEARN
CCc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3C2=O)cc1	ZINC000002098668	569179427	/nfs/dbraw/zinc/17/94/27/569179427.db2.gz	AWNRBKFZOYCAGD-CFRMEGHHSA-N	0	0	430.456	5.102	50	30	biogenic	IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1OC	ZINC000002100822	569179655	/nfs/dbraw/zinc/17/96/55/569179655.db2.gz	ZYHNCCHPRCWFCV-MXAYSNPKSA-N	0	0	444.483	5.663	50	30	biogenic	IKEARN
CCCCCCCOC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc21	ZINC000002390247	569180149	/nfs/dbraw/zinc/18/01/49/569180149.db2.gz	XKBYNATYMHDUDL-UHFFFAOYSA-N	0	0	426.354	6.792	50	30		IKEARN
C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2ccc(OC)c(OC)c2OC)C3=O)cc1	ZINC000002104848	569180178	/nfs/dbraw/zinc/18/01/78/569180178.db2.gz	INMKAJNEUBJWDH-OYKKKHCWSA-N	0	0	444.483	5.551	50	30	biogenic	IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl	ZINC000252430790	569183421	/nfs/dbraw/zinc/18/34/21/569183421.db2.gz	KAZZDRRNZVOQBJ-CHOJSVSXSA-N	0	0	441.402	7.030	50	30		IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O	ZINC000252430700	569183458	/nfs/dbraw/zinc/18/34/58/569183458.db2.gz	GAKVNINHIOJQFK-NTNOTESOSA-N	0	0	442.477	6.410	50	30		IKEARN
CCCCOc1ccc(C=Nc2ccc(N=Cc3ccc(OCCCC)cc3)cc2)cc1	ZINC000252438238	569183556	/nfs/dbraw/zinc/18/35/56/569183556.db2.gz	JGPJVRJLTHAEQE-UHFFFAOYSA-N	0	0	428.576	7.546	50	30		IKEARN
N#CCSc1ccccc1NC(=O)COC(=O)c1ccccc1NN=C1C=CC(=O)C=C1	ZINC000252457313	569184440	/nfs/dbraw/zinc/18/44/40/569184440.db2.gz	XZOTYCNGAVWDFP-UHFFFAOYSA-N	0	0	446.488	5.219	50	30		IKEARN
CCN(CC)c1ccc(C=Nc2ccccc2N=Cc2ccc(N(CC)CC)cc2)cc1	ZINC000252462500	569184752	/nfs/dbraw/zinc/18/47/52/569184752.db2.gz	STLPZBKWRGUEFT-UHFFFAOYSA-N	0	0	426.608	6.880	50	30		IKEARN
Cc1sc(N=NCc2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1	ZINC000252463247	569184755	/nfs/dbraw/zinc/18/47/55/569184755.db2.gz	ZZGTUTLCECXOMB-UHFFFAOYSA-N	0	0	431.492	5.923	50	30		IKEARN
COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1	ZINC000002130910	569184940	/nfs/dbraw/zinc/18/49/40/569184940.db2.gz	KLOVVVTVQKMDMX-VHQYDUIRSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
O=C(Oc1ccccc1/C=N/NC(=S)Nc1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000002543293	569185834	/nfs/dbraw/zinc/18/58/34/569185834.db2.gz	GDLFOVNGVZDJAJ-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)c1	ZINC000002553513	569185836	/nfs/dbraw/zinc/18/58/36/569185836.db2.gz	BXFYKVKEXOBKLH-WPWMEQJKSA-N	0	0	445.588	5.498	50	30		IKEARN
C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccccc1C	ZINC000002544622	569185888	/nfs/dbraw/zinc/18/58/88/569185888.db2.gz	ATTPWVCDOBYQCR-UHFFFAOYSA-N	0	0	441.988	5.077	50	30		IKEARN
CC(C)(C)C(=O)Nc1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1	ZINC000002158811	569187280	/nfs/dbraw/zinc/18/72/80/569187280.db2.gz	XBZDKGOIOSFKFB-UHFFFAOYSA-N	0	0	433.555	6.727	50	30		IKEARN
N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002164636	569188927	/nfs/dbraw/zinc/18/89/27/569188927.db2.gz	YVEOFOWVGGOEFV-UUYOSTAYSA-N	0	0	446.915	6.032	50	30		IKEARN
O=C1c2ccc([N+](=O)[O-])cc2N[C@@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1	ZINC000002192416	569190760	/nfs/dbraw/zinc/19/07/60/569190760.db2.gz	ULGSDNISNXSKFH-BLTFUYFMSA-N	0	0	441.274	5.502	50	30		IKEARN
N#Cc1c(SCc2nc3ccccc3[nH]2)nsc1SCc1nc2ccccc2[nH]1	ZINC000002192491	569190830	/nfs/dbraw/zinc/19/08/30/569190830.db2.gz	BNPWPVQZPHKKGJ-UHFFFAOYSA-N	0	0	434.575	5.352	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1	ZINC000252589310	569191722	/nfs/dbraw/zinc/19/17/22/569191722.db2.gz	AINQTJXLCMPTIW-DNKROPNVSA-N	0	0	428.557	6.062	50	30		IKEARN
CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252588670	569191740	/nfs/dbraw/zinc/19/17/40/569191740.db2.gz	ADJNNHIPEIGAFE-DNKROPNVSA-N	0	0	428.557	6.511	50	30		IKEARN
CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1	ZINC000252589420	569191747	/nfs/dbraw/zinc/19/17/47/569191747.db2.gz	AKOOWZMDMWNBHZ-UHFFFAOYSA-N	0	0	435.483	5.865	50	30		IKEARN
COc1ccccc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000252592786	569192613	/nfs/dbraw/zinc/19/26/13/569192613.db2.gz	BHJMIYJHPKGHJO-IXQMQDOZSA-N	0	0	442.584	6.737	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(CCOC)C1=O	ZINC000252592754	569192649	/nfs/dbraw/zinc/19/26/49/569192649.db2.gz	BGOFCPTWTLESKZ-SUOSWRNOSA-N	0	0	432.545	5.489	50	30		IKEARN
COc1ccccc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000252592785	569192696	/nfs/dbraw/zinc/19/26/96/569192696.db2.gz	BHJMIYJHPKGHJO-FOQODDTFSA-N	0	0	442.584	6.737	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C	ZINC000252593550	569192783	/nfs/dbraw/zinc/19/27/83/569192783.db2.gz	BKUSRCLCTMTBJE-NEAWXCLQSA-N	0	0	436.939	6.905	50	30		IKEARN
COc1cc(C=Nc2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000252592770	569192851	/nfs/dbraw/zinc/19/28/51/569192851.db2.gz	BGZCUHUTJGQSQM-UHFFFAOYSA-N	0	0	427.800	5.708	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C\c3ccc(SC)cc3)SC2=Nc2ccccc2)cc1	ZINC000252594018	569192938	/nfs/dbraw/zinc/19/29/38/569192938.db2.gz	BONVVIFJTJKCFX-MPVWDOOLSA-N	0	0	446.597	6.221	50	30		IKEARN
Brc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)cc1	ZINC000252594126	569192958	/nfs/dbraw/zinc/19/29/58/569192958.db2.gz	BPSQKYICWHFBQG-UHFFFAOYSA-N	0	0	443.300	7.268	50	30		IKEARN
Cc1ccc(O)c(C=Nc2ccc(Oc3ccc(N=Cc4cc(C)ccc4O)cc3)cc2)c1	ZINC000252593864	569192979	/nfs/dbraw/zinc/19/29/79/569192979.db2.gz	BNMMZHNTQUGUDE-UHFFFAOYSA-N	0	0	436.511	7.008	50	30		IKEARN
Cc1c(N=Cc2nn(-c3ccccc3)cc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000252596079	569193170	/nfs/dbraw/zinc/19/31/70/569193170.db2.gz	CGVSUPFFPUQZOJ-UHFFFAOYSA-N	0	0	433.515	5.088	50	30		IKEARN
CCOc1cc(N(CC)CC)ccc1/C=C1\SC(=Nc2ccc(OC)cc2)N(C)C1=O	ZINC000252596227	569193189	/nfs/dbraw/zinc/19/31/89/569193189.db2.gz	CHLBOIBYKICALE-IBORXNHRSA-N	0	0	439.581	5.174	50	30		IKEARN
CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1	ZINC000252596575	569193279	/nfs/dbraw/zinc/19/32/79/569193279.db2.gz	CKSWAVBXTMPXFF-UHFFFAOYSA-N	0	0	444.370	5.083	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000252597781	569193405	/nfs/dbraw/zinc/19/34/05/569193405.db2.gz	CVLCOTMAMDSXPO-MUJYFGONSA-N	0	0	434.492	5.652	50	30		IKEARN
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)o1	ZINC000252598777	569193506	/nfs/dbraw/zinc/19/35/06/569193506.db2.gz	DDVNIZFMKOWAJV-UHFFFAOYSA-N	0	0	428.404	5.522	50	30		IKEARN
Oc1cc(O)c(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Br	ZINC000252598965	569193513	/nfs/dbraw/zinc/19/35/13/569193513.db2.gz	DFSKPZKDUIZUFJ-UHFFFAOYSA-N	0	0	427.229	5.558	50	30		IKEARN
C(=Nc1ccc2c(c1)ncn2-c1ccccc1)c1nc2ccccc2n1Cc1ccccc1	ZINC000252601397	569193750	/nfs/dbraw/zinc/19/37/50/569193750.db2.gz	DZPQBVKHHBOOIB-UHFFFAOYSA-N	0	0	427.511	6.174	50	30		IKEARN
CCn1c2cc(C)c(C)cc2nc1N=Cc1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1	ZINC000252600981	569193789	/nfs/dbraw/zinc/19/37/89/569193789.db2.gz	DWPZGMQPYAXYQM-UHFFFAOYSA-N	0	0	443.591	7.052	50	30		IKEARN
Cc1cc2c(cc1C=Nc1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2	ZINC000252601981	569193969	/nfs/dbraw/zinc/19/39/69/569193969.db2.gz	FFCURMFIGBFHIR-UHFFFAOYSA-N	0	0	432.545	5.345	50	30		IKEARN
C=CCn1cc(/C=C2/SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21	ZINC000252602758	569194076	/nfs/dbraw/zinc/19/40/76/569194076.db2.gz	FKXSELWWZVAVTQ-XKEFNESHSA-N	0	0	445.544	5.238	50	30		IKEARN
Cc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C	ZINC000252603421	569194087	/nfs/dbraw/zinc/19/40/87/569194087.db2.gz	FQVLSWDMJUPTCT-MUBJZNLVSA-N	0	0	440.612	7.346	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C	ZINC000252603614	569194157	/nfs/dbraw/zinc/19/41/57/569194157.db2.gz	FSNQOLKXMCXULO-YZWRYSEFSA-N	0	0	428.513	5.841	50	30		IKEARN
CCOC(=O)CN1C(=S)N(c2ccccc2)C(=Nc2ccccc2)C1=Nc1ccccc1	ZINC000252603969	569194178	/nfs/dbraw/zinc/19/41/78/569194178.db2.gz	FVUYCJKZSKFUJQ-UHFFFAOYSA-N	0	0	442.544	5.117	50	30		IKEARN
COc1cccc2cc(-c3csc(NN=C(C)c4ccc(Cl)cc4)n3)c(=O)oc21	ZINC000252603979	569194194	/nfs/dbraw/zinc/19/41/94/569194194.db2.gz	FVZDCSUEUKYLHR-UHFFFAOYSA-N	0	0	425.897	5.415	50	30		IKEARN
CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000252605156	569194284	/nfs/dbraw/zinc/19/42/84/569194284.db2.gz	GGQIDQJAIYDGEX-BHHKCJQWSA-N	0	0	427.585	5.436	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc21	ZINC000252608156	569195259	/nfs/dbraw/zinc/19/52/59/569195259.db2.gz	HHKCIZKVWZREIN-QLMUGPIMSA-N	0	0	433.558	5.539	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(O)ccc2ccccc21	ZINC000252608155	569195262	/nfs/dbraw/zinc/19/52/62/569195262.db2.gz	HHKCIZKVWZREIN-JSYGVCDLSA-N	0	0	433.558	5.539	50	30		IKEARN
O=[N+]([O-])c1cc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)ccc1Cl	ZINC000252608603	569195332	/nfs/dbraw/zinc/19/53/32/569195332.db2.gz	HLSNRBQKSWSFBT-UHFFFAOYSA-N	0	0	445.693	6.620	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000252609586	569195393	/nfs/dbraw/zinc/19/53/93/569195393.db2.gz	HVDXBBFNUACQBW-UHFFFAOYSA-N	0	0	427.685	6.367	50	30		IKEARN
CCC/N=C1C(=N\CCC)\SC(=NN=Cc2ccccc2O)N\1c1ccc(F)cc1	ZINC000252611528	569197262	/nfs/dbraw/zinc/19/72/62/569197262.db2.gz	IKJDNYYQMRVVCM-BLLMTQLXSA-N	0	0	425.533	5.092	50	30		IKEARN
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1	ZINC000252611345	569197306	/nfs/dbraw/zinc/19/73/06/569197306.db2.gz	IJCKTLPHKMQYDC-BTXDWGDFSA-N	0	0	438.350	5.697	50	30		IKEARN
O=C(ON=C1CCCc2c3cc(C4CCCCC4)ccc3[nH]c21)c1ccc([N+](=O)[O-])cc1	ZINC000252613899	569197415	/nfs/dbraw/zinc/19/74/15/569197415.db2.gz	JEJISTTXHDGUTC-UHFFFAOYSA-N	0	0	431.492	6.021	50	30		IKEARN
Cc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1	ZINC000252613711	569197434	/nfs/dbraw/zinc/19/74/34/569197434.db2.gz	JDBFIODEXNKCJN-UHFFFAOYSA-N	0	0	447.321	8.121	50	30		IKEARN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000252612469	569197442	/nfs/dbraw/zinc/19/74/42/569197442.db2.gz	IUCQQKDEQJTAID-UHFFFAOYSA-N	0	0	431.404	5.199	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1	ZINC000252614397	569197517	/nfs/dbraw/zinc/19/75/17/569197517.db2.gz	JIPUVBHDVDMKSR-KXSRYFARSA-N	0	0	446.956	5.323	50	30		IKEARN
CC(=O)Nc1ccc(N=Cc2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000252614475	569197597	/nfs/dbraw/zinc/19/75/97/569197597.db2.gz	JKAHSOXJGAFGCN-UHFFFAOYSA-N	0	0	437.293	5.377	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OC)c3)C(=O)N2CC(C)C)cc1	ZINC000252614396	569197601	/nfs/dbraw/zinc/19/76/01/569197601.db2.gz	JIPUVBHDVDMKSR-CIOOEQDQSA-N	0	0	446.956	5.323	50	30		IKEARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000252617283	569197648	/nfs/dbraw/zinc/19/76/48/569197648.db2.gz	KPSOFTOEQSZFRM-UHFFFAOYSA-N	0	0	444.196	6.626	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252616595	569197658	/nfs/dbraw/zinc/19/76/58/569197658.db2.gz	KBLXMUMJJKKJAP-KISRHMMLSA-N	0	0	430.548	6.759	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC	ZINC000252616325	569197707	/nfs/dbraw/zinc/19/77/07/569197707.db2.gz	JZPDBACNEOGMFU-SIFMURAYSA-N	0	0	428.557	6.326	50	30		IKEARN
Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl	ZINC000252616666	569197731	/nfs/dbraw/zinc/19/77/31/569197731.db2.gz	KDEOOYRWKMDXQY-UHFFFAOYSA-N	0	0	442.354	5.358	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000252617897	569197807	/nfs/dbraw/zinc/19/78/07/569197807.db2.gz	LATHMBIBTZXTOU-KLJDGLGGSA-N	0	0	433.486	5.544	50	30		IKEARN
O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1	ZINC000252617474	569197867	/nfs/dbraw/zinc/19/78/67/569197867.db2.gz	KTNNCXFRXTVYMR-UHFFFAOYSA-N	0	0	441.468	6.187	50	30		IKEARN
CN1c2cc(Cl)ccc2S/C1=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252618126	569197956	/nfs/dbraw/zinc/19/79/56/569197956.db2.gz	LEGFWWCGZGFWME-XJIBWINFSA-N	0	0	449.988	6.519	50	30		IKEARN
CC[C@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000252619145	569198155	/nfs/dbraw/zinc/19/81/55/569198155.db2.gz	LNIFIALKAWDNAG-RYUSHCTJSA-N	0	0	440.565	5.123	50	30		IKEARN
COCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccccc1	ZINC000252619433	569198174	/nfs/dbraw/zinc/19/81/74/569198174.db2.gz	LPEWYPMWXQNSGF-MPVWDOOLSA-N	0	0	448.544	5.107	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252618609	569198184	/nfs/dbraw/zinc/19/81/84/569198184.db2.gz	LIPNXQLBCIZNOH-JOCHJYFZSA-N	0	0	445.544	5.250	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252620133	569199173	/nfs/dbraw/zinc/19/91/73/569199173.db2.gz	LXYQEMYXQSEUKH-DNKROPNVSA-N	0	0	430.573	6.561	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl	ZINC000252620339	569199285	/nfs/dbraw/zinc/19/92/85/569199285.db2.gz	MCCPLJFOMYLEGK-XOLKAKTPSA-N	0	0	442.968	5.927	50	30		IKEARN
CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000252621530	569201610	/nfs/dbraw/zinc/20/16/10/569201610.db2.gz	NAPOFXOYNJXIQX-GCNWNYGFSA-N	0	0	444.556	6.216	50	30		IKEARN
Cc1nnc(N=C(N2N=C(C)S[C@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1	ZINC000252621055	569201619	/nfs/dbraw/zinc/20/16/19/569201619.db2.gz	MRYZLGGBZOLKEJ-NRFANRHFSA-N	0	0	448.621	5.282	50	30		IKEARN
COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000252620932	569201654	/nfs/dbraw/zinc/20/16/54/569201654.db2.gz	MPKUGXXCDXKNSL-ZQXLJOGCSA-N	0	0	430.529	5.826	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000252621023	569201688	/nfs/dbraw/zinc/20/16/88/569201688.db2.gz	MRDUCHUHMFQMJK-UYJNXHFOSA-N	0	0	426.585	7.235	50	30		IKEARN
CCOc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000252621799	569201772	/nfs/dbraw/zinc/20/17/72/569201772.db2.gz	NGXRSFDDJYYEKR-GUGSDYAWSA-N	0	0	444.556	6.216	50	30		IKEARN
Clc1ccccc1-c1nc2cc(N=C/C=C\c3ccc(Br)cc3)ccc2o1	ZINC000252623004	569201874	/nfs/dbraw/zinc/20/18/74/569201874.db2.gz	OHPYJYQMIULWFR-HRPWZSTBSA-N	0	0	437.724	7.326	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2ccc(C=Nc3c(-c4ccco4)nc4ccccn43)o2)c(Cl)c1	ZINC000252622659	569201888	/nfs/dbraw/zinc/20/18/88/569201888.db2.gz	NZUWERNBMZBVHC-UHFFFAOYSA-N	0	0	432.823	6.167	50	30		IKEARN
Cc1c(N=Cc2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000252622534	569201908	/nfs/dbraw/zinc/20/19/08/569201908.db2.gz	NXQGDFSZBZGREB-UHFFFAOYSA-N	0	0	445.906	5.108	50	30		IKEARN
Clc1ccccc1-c1nc2cc(N=C/C=C/c3ccc(Br)cc3)ccc2o1	ZINC000252623003	569201913	/nfs/dbraw/zinc/20/19/13/569201913.db2.gz	OHPYJYQMIULWFR-HELKRTJESA-N	0	0	437.724	7.326	50	30		IKEARN
COc1ccc(C=NOC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1	ZINC000252623656	569202167	/nfs/dbraw/zinc/20/21/67/569202167.db2.gz	OWJKLMOYEVTDJW-UHFFFAOYSA-N	0	0	443.858	5.023	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(Cl)cc1	ZINC000252623708	569202186	/nfs/dbraw/zinc/20/21/86/569202186.db2.gz	OXQMEXUSNHIDJV-GSKQFGKRSA-N	0	0	431.970	5.343	50	30		IKEARN
CSc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252623369	569202187	/nfs/dbraw/zinc/20/21/87/569202187.db2.gz	OPLJQUSNFAWQNM-MPVWDOOLSA-N	0	0	430.598	6.834	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1	ZINC000252623858	569202297	/nfs/dbraw/zinc/20/22/97/569202297.db2.gz	PAYRFYHAYXRJCI-HOOGSHDOSA-N	0	0	439.540	5.680	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1cccc2ncccc12	ZINC000252623979	569202657	/nfs/dbraw/zinc/20/26/57/569202657.db2.gz	PDKWFJVQQMJIRQ-CVJJEBQVSA-N	0	0	432.574	5.619	50	30		IKEARN
CCOc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000252624185	569202677	/nfs/dbraw/zinc/20/26/77/569202677.db2.gz	PINVISQOLIUBCR-MLSYBWHESA-N	0	0	444.556	6.216	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1	ZINC000252625936	569203171	/nfs/dbraw/zinc/20/31/71/569203171.db2.gz	QSHQBXVYRIWIJZ-LAJNNLEESA-N	0	0	445.500	5.408	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=Nc2ccccc2)cc1	ZINC000252625935	569203182	/nfs/dbraw/zinc/20/31/82/569203182.db2.gz	QSHQBXVYRIWIJZ-IBORXNHRSA-N	0	0	445.500	5.408	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252625173	569203191	/nfs/dbraw/zinc/20/31/91/569203191.db2.gz	QEPHNXKTLMAJFR-YZWRYSEFSA-N	0	0	428.513	5.841	50	30		IKEARN
Cc1cc2nc(-c3cccc(N=C/C=C\c4cccc(Br)c4)c3)oc2c(C)c1	ZINC000252625965	569203205	/nfs/dbraw/zinc/20/32/05/569203205.db2.gz	QTDZWJFNXCCVQT-XYDYVDLRSA-N	0	0	431.333	7.290	50	30		IKEARN
O=C(Nc1ccc(N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	ZINC000252627042	569203295	/nfs/dbraw/zinc/20/32/95/569203295.db2.gz	RKVOIYPIDGWDSG-VPBYINSUSA-N	0	0	429.734	7.315	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)cc2)c1=O	ZINC000002215537	569203329	/nfs/dbraw/zinc/20/33/29/569203329.db2.gz	FEIMNYRGYCVUEN-UHFFFAOYSA-N	0	0	445.954	5.907	50	30		IKEARN
CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000252626800	569203398	/nfs/dbraw/zinc/20/33/98/569203398.db2.gz	RFVVUCLNNPKHOI-GQUXDKRHSA-N	0	0	444.556	6.216	50	30		IKEARN
CCOc1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1	ZINC000252627401	569203542	/nfs/dbraw/zinc/20/35/42/569203542.db2.gz	RTLJLZDGBLFTKC-FUSVKQJLSA-N	0	0	426.538	5.117	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1	ZINC000252628547	569203659	/nfs/dbraw/zinc/20/36/59/569203659.db2.gz	SSOHTJSQYFYSSO-MMKHHPBPSA-N	0	0	428.557	5.850	50	30		IKEARN
S=C(NN=Cc1ccc(Cl)cc1Cl)NC1c2ccccc2Oc2ccccc21	ZINC000252628295	569203704	/nfs/dbraw/zinc/20/37/04/569203704.db2.gz	SMYQABHVRVYBGC-UHFFFAOYSA-N	0	0	428.344	5.687	50	30		IKEARN
COc1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C	ZINC000252628815	569203754	/nfs/dbraw/zinc/20/37/54/569203754.db2.gz	SYKIJTGLLQMAQW-SIFMURAYSA-N	0	0	444.556	6.291	50	30		IKEARN
CCOc1ccc(C=Nc2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1	ZINC000252629041	569203757	/nfs/dbraw/zinc/20/37/57/569203757.db2.gz	TXNMYTCFCSGBMW-UHFFFAOYSA-N	0	0	427.451	6.526	50	30		IKEARN
O=C1CCCC/C1=C1/SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252629911	569203904	/nfs/dbraw/zinc/20/39/04/569203904.db2.gz	UQFVZTVHLXGIEC-GYYLHCQHSA-N	0	0	437.568	7.055	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C	ZINC000252629365	569203934	/nfs/dbraw/zinc/20/39/34/569203934.db2.gz	UELOCFQDPDIFTQ-IBGZPJMESA-N	0	0	427.957	5.103	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1	ZINC000252630267	569204050	/nfs/dbraw/zinc/20/40/50/569204050.db2.gz	UYEFUCBMVPRGOI-HOMYTQLHSA-N	0	0	446.956	5.467	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1	ZINC000252630266	569204053	/nfs/dbraw/zinc/20/40/53/569204053.db2.gz	UYEFUCBMVPRGOI-GIFQUSADSA-N	0	0	446.956	5.467	50	30		IKEARN
O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)NCCc1ccccc1	ZINC000252630458	569204070	/nfs/dbraw/zinc/20/40/70/569204070.db2.gz	VABQBJFUZNLOKJ-UHFFFAOYSA-N	0	0	447.585	5.204	50	30		IKEARN
Cc1ccc2oc(-c3cccc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1	ZINC000252630190	569204074	/nfs/dbraw/zinc/20/40/74/569204074.db2.gz	UWTOZTJZJWDZBR-UHFFFAOYSA-N	0	0	437.455	6.629	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C/c4cccc([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000252631404	569204438	/nfs/dbraw/zinc/20/44/38/569204438.db2.gz	VKSDRAQNEXCQDF-AGSYOJIDSA-N	0	0	425.488	7.116	50	30		IKEARN
COC(=O)c1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000252631834	569204601	/nfs/dbraw/zinc/20/46/01/569204601.db2.gz	VMWGBDZMGOXHLP-MLSYBWHESA-N	0	0	442.540	5.899	50	30		IKEARN
O=C(Oc1ccc(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1	ZINC000252631989	569204688	/nfs/dbraw/zinc/20/46/88/569204688.db2.gz	VNTJKZNWCYVSFE-UHFFFAOYSA-N	0	0	442.858	6.711	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccc(C)cc2)C(=O)N1c1ccccc1CC	ZINC000252632834	569204808	/nfs/dbraw/zinc/20/48/08/569204808.db2.gz	VXHMWLUKQHOKRS-OFGWUVNBSA-N	0	0	426.585	6.928	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1	ZINC000252632670	569205035	/nfs/dbraw/zinc/20/50/35/569205035.db2.gz	VWJDRYKVGRMRDT-IBGZPJMESA-N	0	0	429.973	5.245	50	30		IKEARN
Oc1cc(N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1	ZINC000252633125	569205588	/nfs/dbraw/zinc/20/55/88/569205588.db2.gz	VZVIXTXZGMNUNK-BLHKWVJFSA-N	0	0	425.340	7.391	50	30		IKEARN
COc1cc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O	ZINC000252634464	569206379	/nfs/dbraw/zinc/20/63/79/569206379.db2.gz	WOBPYWLILPGBNJ-XKEFNESHSA-N	0	0	430.529	5.826	50	30		IKEARN
O=C1c2ccccc2N[C@H](c2cccc3cccnc32)N1N=Cc1cccc2cccnc12	ZINC000252634649	569207570	/nfs/dbraw/zinc/20/75/70/569207570.db2.gz	WPVWBYOJTFBRAC-SANMLTNESA-N	0	0	429.483	5.384	50	30		IKEARN
CCCCc1cc(CCCC)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1	ZINC000252634836	569207789	/nfs/dbraw/zinc/20/77/89/569207789.db2.gz	WRRUFYVWLPFFTB-UHFFFAOYSA-N	0	0	438.660	6.908	50	30		IKEARN
CCCCCCCCCc1nc2sc3c(c2c(SCC(N)=O)n1)CC(C)(C)OC3	ZINC000002228100	569207976	/nfs/dbraw/zinc/20/79/76/569207976.db2.gz	LTULUJKNYZKZCF-UHFFFAOYSA-N	0	0	435.659	6.463	50	30		IKEARN
O=C(NC1CCCCC1)c1c(N=Cc2cccc(Cl)c2Cl)sc2c1CCCC2	ZINC000252636334	569208097	/nfs/dbraw/zinc/20/80/97/569208097.db2.gz	XHJRXSMLTWHYRJ-UHFFFAOYSA-N	0	0	435.420	6.747	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252638029	569208284	/nfs/dbraw/zinc/20/82/84/569208284.db2.gz	XYYLBIODGXJWHQ-NARSBJQYSA-N	0	0	426.585	7.235	50	30		IKEARN
Cc1ccc2oc(-c3cccc(N=Cc4cc5c(cc4Br)OCO5)c3C)nc2c1	ZINC000252638402	569208316	/nfs/dbraw/zinc/20/83/16/569208316.db2.gz	YCAWLUWDXCXSTB-UHFFFAOYSA-N	0	0	449.304	6.353	50	30		IKEARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1	ZINC000252638268	569208318	/nfs/dbraw/zinc/20/83/18/569208318.db2.gz	YAQQDEQVRJHYNY-SUOSWRNOSA-N	0	0	431.561	5.345	50	30		IKEARN
Clc1ccc(C=Nc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)o1	ZINC000252638916	569208325	/nfs/dbraw/zinc/20/83/25/569208325.db2.gz	YHCNJIRAIDAGSH-UHFFFAOYSA-N	0	0	443.333	8.219	50	30		IKEARN
O=[N+]([O-])c1ccc(Cn2cc(C=Nc3ccc(N4CCOCC4)cc3)c3ccccc32)cc1	ZINC000252639306	569208344	/nfs/dbraw/zinc/20/83/44/569208344.db2.gz	YJAKOAMKUVHCJK-UHFFFAOYSA-N	0	0	440.503	5.185	50	30		IKEARN
O=C1/C(=C/c2c(F)c(F)c(F)c(F)c2F)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252640211	569208526	/nfs/dbraw/zinc/20/85/26/569208526.db2.gz	YRJOGAFYKIZWSR-HLSCJSBPSA-N	0	0	446.400	6.191	50	30		IKEARN
CSc1nnc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000252640749	569208660	/nfs/dbraw/zinc/20/86/60/569208660.db2.gz	YWTTXIPPIQOKRK-UHFFFAOYSA-N	0	0	428.439	5.828	50	30		IKEARN
Cc1cc(Br)c(O)c(C=Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1	ZINC000252641145	569209362	/nfs/dbraw/zinc/20/93/62/569209362.db2.gz	ZAKNNVYAFPNNGJ-UHFFFAOYSA-N	0	0	441.712	6.675	50	30		IKEARN
N#Cc1c2c(sc1N=c1oc3ccccc3cc1C(=O)Nc1ccccc1F)CCCC2	ZINC000252666502	569209715	/nfs/dbraw/zinc/20/97/15/569209715.db2.gz	BRAMISPCCLCSJD-UHFFFAOYSA-N	0	0	443.503	5.869	50	30		IKEARN
C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)csc1=Nc1ccc(C)cc1	ZINC000252676175	569210353	/nfs/dbraw/zinc/21/03/53/569210353.db2.gz	WGGDGPOSHQUTFQ-UHFFFAOYSA-N	0	0	434.649	7.244	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000252694478	569210901	/nfs/dbraw/zinc/21/09/01/569210901.db2.gz	LHZZMHLXKOFUGQ-DLJCHUHSSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000252695081	569211051	/nfs/dbraw/zinc/21/10/51/569211051.db2.gz	UOCUEIOMIAYZNI-MYRQUBGUSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
Oc1ccc(Br)cc1/C=N/c1ccc2nc(-c3ccc(Cl)cc3)oc2c1	ZINC000003102947	569213066	/nfs/dbraw/zinc/21/30/66/569213066.db2.gz	QEJSRCALHGNRCK-FOKLQQMPSA-N	0	0	427.685	6.367	50	30		IKEARN
CCCCOC(=O)c1ccc(/N=C/c2cc(C)cc(I)c2O)cc1	ZINC000003131247	569213267	/nfs/dbraw/zinc/21/32/67/569213267.db2.gz	AWEAVGBQCWAPLK-CIAFOILYSA-N	0	0	437.277	5.013	50	30		IKEARN
Cc1ccc2nc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)oc2c1	ZINC000003112973	569213298	/nfs/dbraw/zinc/21/32/98/569213298.db2.gz	NPQPNYDLWPWHJT-FSJBWODESA-N	0	0	436.265	6.225	50	30		IKEARN
CCCCCCCCn1c(N)c(C(=O)NCc2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000002250924	569213840	/nfs/dbraw/zinc/21/38/40/569213840.db2.gz	ALOPEXGCUSQYQT-UHFFFAOYSA-N	0	0	443.595	5.766	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3	ZINC000002252228	569214157	/nfs/dbraw/zinc/21/41/57/569214157.db2.gz	JCQFDSHQQLOBFC-GOSISDBHSA-N	0	0	426.607	5.521	50	30		IKEARN
CCCCCNC(=O)c1c(N)n(/N=C/c2ccc(C(C)C)cc2)c2nc3ccccc3nc21	ZINC000002247872	569214612	/nfs/dbraw/zinc/21/46/12/569214612.db2.gz	MGAWLYYPIHYBDR-MUFRIFMGSA-N	0	0	442.567	5.092	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000002259235	569215439	/nfs/dbraw/zinc/21/54/39/569215439.db2.gz	XFDTZFCNPVJKED-HMUJPTBDSA-N	0	0	429.589	6.091	50	30		IKEARN
Cc1ccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccc(Cl)cc2Cl)cc1C	ZINC000027500046	569216483	/nfs/dbraw/zinc/21/64/83/569216483.db2.gz	NQBUJPRIXIZWBX-LSFURLLWSA-N	0	0	428.283	5.126	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002253580	569216587	/nfs/dbraw/zinc/21/65/87/569216587.db2.gz	RNCCOPQFVAJILX-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
COC(=O)OCc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000002270816	569217159	/nfs/dbraw/zinc/21/71/59/569217159.db2.gz	WVXPUNLPEJZMQM-UHFFFAOYSA-N	0	0	438.520	5.370	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12	ZINC000002273402	569217760	/nfs/dbraw/zinc/21/77/60/569217760.db2.gz	NWSONGAQAWTJGO-SSEXGKCCSA-N	0	0	431.535	7.092	50	30		IKEARN
O=C(Nc1ccc(F)c(Cl)c1)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002277167	569217902	/nfs/dbraw/zinc/21/79/02/569217902.db2.gz	UZVXKFBDLYJWFB-UHFFFAOYSA-N	0	0	448.697	5.640	50	30		IKEARN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1	ZINC000027519520	569218132	/nfs/dbraw/zinc/21/81/32/569218132.db2.gz	UUPXXSGBQLLEAH-ODLFYWEKSA-N	0	0	439.880	5.708	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2O)cc1	ZINC000036370848	569257765	/nfs/dbraw/zinc/25/77/65/569257765.db2.gz	BKOGUJNRCSWUNA-IOXAISTQSA-N	0	0	446.653	5.473	50	30		IKEARN
C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O	ZINC000253406714	569265359	/nfs/dbraw/zinc/26/53/59/569265359.db2.gz	JDWJFRUHQILALZ-ZIHVZMLCSA-N	0	0	428.440	5.292	50	30	biogenic	IKEARN
C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1ccco1)C3=O	ZINC000253406712	569265364	/nfs/dbraw/zinc/26/53/64/569265364.db2.gz	JDWJFRUHQILALZ-JJUBJSHISA-N	0	0	428.440	5.292	50	30	biogenic	IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Br)c1	ZINC000239235319	569268630	/nfs/dbraw/zinc/26/86/30/569268630.db2.gz	VTNNTZKPGDKDRD-UHFFFAOYSA-N	0	0	428.142	5.185	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)c1	ZINC000239309873	569268726	/nfs/dbraw/zinc/26/87/26/569268726.db2.gz	HWIHXMLIRVYVIF-QFZRFWILSA-N	0	0	438.612	6.248	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1OC	ZINC000245225950	569269461	/nfs/dbraw/zinc/26/94/61/569269461.db2.gz	AZMIHVADQVAYIW-UHFFFAOYSA-N	0	0	431.517	5.489	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000245238352	569269528	/nfs/dbraw/zinc/26/95/28/569269528.db2.gz	LJQHVTRFOZQNII-HIHCUNAASA-N	0	0	444.537	6.592	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000245239307	569269553	/nfs/dbraw/zinc/26/95/53/569269553.db2.gz	HNTMKSKJRZRWKS-AJKAXUQTSA-N	0	0	444.637	5.681	50	30	biogenic	IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000245238351	569269561	/nfs/dbraw/zinc/26/95/61/569269561.db2.gz	LJQHVTRFOZQNII-ATANXXGXSA-N	0	0	444.537	6.592	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000245253925	569269698	/nfs/dbraw/zinc/26/96/98/569269698.db2.gz	SZBWKZHLROZHJQ-IEOJDNJFSA-N	0	0	432.560	5.831	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21	ZINC000248114362	569270362	/nfs/dbraw/zinc/27/03/62/569270362.db2.gz	ZJUABQDERHSYQM-OYHZZYGJSA-N	0	0	440.605	5.634	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21	ZINC000248114358	569270412	/nfs/dbraw/zinc/27/04/12/569270412.db2.gz	ZJUABQDERHSYQM-JMTTVTNBSA-N	0	0	440.605	5.634	50	30		IKEARN
Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000252394538	569271155	/nfs/dbraw/zinc/27/11/55/569271155.db2.gz	PRKCVHTUMSBLLS-UHFFFAOYSA-N	0	0	443.363	5.225	50	30		IKEARN
Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000252394420	569271157	/nfs/dbraw/zinc/27/11/57/569271157.db2.gz	JSDFGTCPPGRDHW-UHFFFAOYSA-N	0	0	446.132	5.324	50	30		IKEARN
Cc1ccccc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2	ZINC000027547290	569271255	/nfs/dbraw/zinc/27/12/55/569271255.db2.gz	JVRWCERNINRVAY-QFIPXVFZSA-N	0	0	440.465	5.620	50	30		IKEARN
Cc1ccsc1[C@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2	ZINC000027547689	569271274	/nfs/dbraw/zinc/27/12/74/569271274.db2.gz	NRPBZKZATKYGSE-FQEVSTJZSA-N	0	0	446.494	5.682	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000027547232	569271314	/nfs/dbraw/zinc/27/13/14/569271314.db2.gz	AYQVTXATXUWCMP-JOCHJYFZSA-N	0	0	440.465	5.620	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)Nc3cccc(C(F)(F)F)c3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000027547236	569271331	/nfs/dbraw/zinc/27/13/31/569271331.db2.gz	AYQVTXATXUWCMP-QFIPXVFZSA-N	0	0	440.465	5.620	50	30		IKEARN
O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2	ZINC000002306127	569271633	/nfs/dbraw/zinc/27/16/33/569271633.db2.gz	AJJLZQJXFPNRAY-ZEQRLZLVSA-N	0	0	440.854	5.247	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000002305819	569271696	/nfs/dbraw/zinc/27/16/96/569271696.db2.gz	LTXNXMNFENGWCH-XKZIYDEJSA-N	0	0	435.980	6.256	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O	ZINC000252628827	569271921	/nfs/dbraw/zinc/27/19/21/569271921.db2.gz	SYSLHZGKUNLUIS-UCLUCITFSA-N	0	0	442.968	5.522	50	30		IKEARN
Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(Cl)cc1	ZINC000002309931	569272089	/nfs/dbraw/zinc/27/20/89/569272089.db2.gz	LFFNLDFKINXSEI-RPPGKUMJSA-N	0	0	436.968	5.280	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1	ZINC000002315644	569272453	/nfs/dbraw/zinc/27/24/53/569272453.db2.gz	UHJJUKFIROBXOD-UHFFFAOYSA-N	0	0	442.323	6.056	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O	ZINC000253499202	569272832	/nfs/dbraw/zinc/27/28/32/569272832.db2.gz	HESAJDXBMHQLJH-UGDXGDCNSA-N	0	0	445.434	7.293	50	30	biogenic	IKEARN
CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000253505575	569272959	/nfs/dbraw/zinc/27/29/59/569272959.db2.gz	GGQIDQJAIYDGEX-LSHGJVDWSA-N	0	0	427.585	5.436	50	30	biogenic	IKEARN
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1	ZINC000002320064	569273608	/nfs/dbraw/zinc/27/36/08/569273608.db2.gz	FIZRWWQVCBKOJZ-NWIBBQCFSA-N	0	0	445.972	5.027	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]21C	ZINC000254385791	569273794	/nfs/dbraw/zinc/27/37/94/569273794.db2.gz	CYPQELKXBYBDOE-ONZRNCOXSA-N	0	0	446.628	5.154	50	30		IKEARN
CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000254302376	569273818	/nfs/dbraw/zinc/27/38/18/569273818.db2.gz	HTZDJVPKUOXQMG-HYZZZALXSA-N	0	0	442.684	7.139	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]21C	ZINC000254611908	569273913	/nfs/dbraw/zinc/27/39/13/569273913.db2.gz	HAHDDRPLUQXNKO-MRKMJYKLSA-N	0	0	442.596	5.186	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]21C	ZINC000254611907	569273950	/nfs/dbraw/zinc/27/39/50/569273950.db2.gz	HAHDDRPLUQXNKO-MOWMVBNASA-N	0	0	442.596	5.186	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n([C@@H](C)c2ccccc2)c2nc3ccccc3nc12	ZINC000002334893	569274695	/nfs/dbraw/zinc/27/46/95/569274695.db2.gz	VAKSSZJZCBSMCS-SFHVURJKSA-N	0	0	430.552	5.903	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3	ZINC000002343830	569275300	/nfs/dbraw/zinc/27/53/00/569275300.db2.gz	CPNUWCVGVBRFDY-UHFFFAOYSA-N	0	0	430.598	6.092	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257348659	569280304	/nfs/dbraw/zinc/28/03/04/569280304.db2.gz	HVEXIRSOIACQFA-ZDZHHBAESA-N	0	0	430.677	7.378	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257348902	569280312	/nfs/dbraw/zinc/28/03/12/569280312.db2.gz	JVBJMRIVVNLPKI-UKCISVJFSA-N	0	0	433.677	6.024	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3	ZINC000257349210	569280399	/nfs/dbraw/zinc/28/03/99/569280399.db2.gz	MNPFRDKDRKYDAA-VXVRWMISSA-N	0	0	442.684	7.283	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@@H]4[C@@H]3CC[C@H]2C1	ZINC000257349963	569280507	/nfs/dbraw/zinc/28/05/07/569280507.db2.gz	SWTNFHMWIPZFLE-SNTQMXGVSA-N	0	0	448.647	6.860	50	30		IKEARN
CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257350122	569280525	/nfs/dbraw/zinc/28/05/25/569280525.db2.gz	UXGWFWJQNSRBBQ-QQABTQGOSA-N	0	0	426.685	7.895	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1	ZINC000257350205	569280544	/nfs/dbraw/zinc/28/05/44/569280544.db2.gz	VOPZSPZAIPUPAF-WROCLWCASA-N	0	0	444.637	5.681	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@@H]23)cc1	ZINC000257350147	569280594	/nfs/dbraw/zinc/28/05/94/569280594.db2.gz	VBLKGSKRRMCRKY-STSOKTRESA-N	0	0	444.637	5.681	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1	ZINC000257355591	569280777	/nfs/dbraw/zinc/28/07/77/569280777.db2.gz	BMEDGGDZYCTQMO-BKIUCWPRSA-N	0	0	442.621	5.601	50	30		IKEARN
C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O	ZINC000257357610	569280821	/nfs/dbraw/zinc/28/08/21/569280821.db2.gz	PBCULPOTNCGYFY-MSLHOTIOSA-N	0	0	442.596	5.328	50	30		IKEARN
C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@@H]2C)CC1=O	ZINC000257356411	569280839	/nfs/dbraw/zinc/28/08/39/569280839.db2.gz	HVPFVUHFUULZFU-WJFGYLIDSA-N	0	0	434.693	5.641	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1	ZINC000257357700	569281003	/nfs/dbraw/zinc/28/10/03/569281003.db2.gz	PMBSWZWCNKVWLV-VMKKCOKRSA-N	0	0	442.684	7.139	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000253498652	569283170	/nfs/dbraw/zinc/28/31/70/569283170.db2.gz	IBHLVHLIYYDTRV-NXCVOOECSA-N	0	0	439.728	8.494	50	30	biogenic	IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@@H]4[C@@H]3CC[C@H]2C1	ZINC000253500189	569283421	/nfs/dbraw/zinc/28/34/21/569283421.db2.gz	YSSYRCSUIQKJPD-SNUVQQOMSA-N	0	0	444.700	7.651	50	30	biogenic	IKEARN
CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000253501614	569283600	/nfs/dbraw/zinc/28/36/00/569283600.db2.gz	NKJYZYWCGKSMSV-XUESUMGVSA-N	0	0	442.640	6.360	50	30		IKEARN
C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]21C	ZINC000253531730	569283945	/nfs/dbraw/zinc/28/39/45/569283945.db2.gz	BZDQWOZFIUXHLF-SGBNRSCDSA-N	0	0	434.576	5.578	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000253532006	569284009	/nfs/dbraw/zinc/28/40/09/569284009.db2.gz	IKAYYSYGCHKPAB-KFLZDCCFSA-N	0	0	443.716	6.987	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O	ZINC000253532420	569284037	/nfs/dbraw/zinc/28/40/37/569284037.db2.gz	OMJIZRMQBBHMOY-QRSAIELUSA-N	0	0	441.453	7.444	50	30		IKEARN
CC(=O)Nc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000000634583	569284907	/nfs/dbraw/zinc/28/49/07/569284907.db2.gz	FGSMCNSAGSLONI-UHFFFAOYSA-N	0	0	445.526	5.960	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C#N)c3ccccc3n2)cc1OC	ZINC000000687017	569285091	/nfs/dbraw/zinc/28/50/91/569285091.db2.gz	DUPVIGUUZNPLGT-UHFFFAOYSA-N	0	0	443.528	5.721	50	30		IKEARN
COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc32)c(C#N)c1C	ZINC000000689280	569285092	/nfs/dbraw/zinc/28/50/92/569285092.db2.gz	MJGVBQSYDXEURX-UHFFFAOYSA-N	0	0	441.512	5.491	50	30		IKEARN
CCOc1ccc(N=C(C)/C=C2/SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1	ZINC000334157277	569285690	/nfs/dbraw/zinc/28/56/90/569285690.db2.gz	SWONQMMWZNRXGB-USRLXUPTSA-N	0	0	430.573	6.118	50	30		IKEARN
CCOc1ccc(N=C(C)/C=C2\SC[C@@](O)(c3ccccc3)N2c2ccccc2)cc1	ZINC000334157275	569285702	/nfs/dbraw/zinc/28/57/02/569285702.db2.gz	SWONQMMWZNRXGB-CZRUQARZSA-N	0	0	430.573	6.118	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O	ZINC000002356454	569286017	/nfs/dbraw/zinc/28/60/17/569286017.db2.gz	ZPBMBACIKDGMLR-DJJQPEHWSA-N	0	0	429.973	5.373	50	30		IKEARN
O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1cc(F)c(F)c(F)c1F	ZINC000002361405	569287624	/nfs/dbraw/zinc/28/76/24/569287624.db2.gz	FFBABYXJLGUEKZ-MFOYZWKCSA-N	0	0	430.378	5.792	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2C)SC1=S	ZINC000002362725	569287853	/nfs/dbraw/zinc/28/78/53/569287853.db2.gz	XTVKCSWGBRAPIZ-STZFKDTASA-N	0	0	447.585	5.244	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21	ZINC000002371831	569289085	/nfs/dbraw/zinc/28/90/85/569289085.db2.gz	HBHARBUWBQALLU-UHFFFAOYSA-N	0	0	444.535	5.486	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21	ZINC000002373698	569289222	/nfs/dbraw/zinc/28/92/22/569289222.db2.gz	QYCYSWIJDNCLGW-UHFFFAOYSA-N	0	0	430.552	5.900	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000008386258	569289635	/nfs/dbraw/zinc/28/96/35/569289635.db2.gz	MYLRRMCIZNUWJQ-UHFFFAOYSA-N	0	0	426.972	7.541	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccccc2)nc2c(c1-c1cccs1)-c1ccccc1C2=O	ZINC000008411818	569289681	/nfs/dbraw/zinc/28/96/81/569289681.db2.gz	BLIRSHDZPHXMCO-UHFFFAOYSA-N	0	0	438.533	5.868	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(SCc2ccc(Cl)cc2)cc1-c1ccccc1	ZINC000008426362	569289687	/nfs/dbraw/zinc/28/96/87/569289687.db2.gz	NSFPEBNCRVKXMU-UHFFFAOYSA-N	0	0	425.944	6.972	50	30		IKEARN
CCOC(=O)CCSc1nc(-c2ccc(C)cc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000008441082	569289773	/nfs/dbraw/zinc/28/97/73/569289773.db2.gz	FMRRZXRRQDQSFC-UHFFFAOYSA-N	0	0	432.545	5.650	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCSCc1ccccc1	ZINC000008448609	569289787	/nfs/dbraw/zinc/28/97/87/569289787.db2.gz	VIQSWFZUXJOSHG-UHFFFAOYSA-N	0	0	438.621	7.313	50	30		IKEARN
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1	ZINC000008445785	569289834	/nfs/dbraw/zinc/28/98/34/569289834.db2.gz	DOKDMEICTIOQNM-UHFFFAOYSA-N	0	0	449.019	7.622	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2ccccc2)cc1-c1cccs1	ZINC000008451074	569289881	/nfs/dbraw/zinc/28/98/81/569289881.db2.gz	DAKKPGLQMOPWPR-UHFFFAOYSA-N	0	0	427.554	6.080	50	30		IKEARN
N#Cc1c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)sc1Nc1cccc(C(F)(F)F)c1	ZINC000008451010	569289916	/nfs/dbraw/zinc/28/99/16/569289916.db2.gz	QSDFWDHGLCXXAQ-UHFFFAOYSA-N	0	0	445.510	6.363	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(C(F)F)nc1SCc1cc2c(cc1Cl)OCO2	ZINC000008455948	569289958	/nfs/dbraw/zinc/28/99/58/569289958.db2.gz	AYZJUSPDVOLENV-UHFFFAOYSA-N	0	0	430.863	6.232	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(c1-c1ccccc1)COCC2	ZINC000008706712	569290067	/nfs/dbraw/zinc/29/00/67/569290067.db2.gz	UNOAIEXAERSESG-UHFFFAOYSA-N	0	0	435.936	5.077	50	30		IKEARN
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3sc4c(c3C#N)CCC4)c2n1	ZINC000008745375	569290144	/nfs/dbraw/zinc/29/01/44/569290144.db2.gz	BNADBLXYEKLGNT-UHFFFAOYSA-N	0	0	432.332	5.289	50	30		IKEARN
Cc1c(-c2ccccc2Cl)noc1-c1nc2c(C#N)c(-c3ccc(Cl)cc3)ccn2n1	ZINC000008762554	569290341	/nfs/dbraw/zinc/29/03/41/569290341.db2.gz	MWKQIXOFDDICBJ-UHFFFAOYSA-N	0	0	446.297	6.205	50	30		IKEARN
Clc1cccc(Cl)c1CO/N=C/c1c(Sc2ccccc2)nc2sccn12	ZINC000008855337	569291166	/nfs/dbraw/zinc/29/11/66/569291166.db2.gz	SRRQSANQMMQIGM-SSDVNMTOSA-N	0	0	434.373	6.405	50	30		IKEARN
FCCCOc1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1	ZINC000008855506	569291311	/nfs/dbraw/zinc/29/13/11/569291311.db2.gz	SKFWWFUBQJGNAI-UHFFFAOYSA-N	0	0	434.311	6.198	50	30		IKEARN
C#CCn1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1	ZINC000008857058	569291411	/nfs/dbraw/zinc/29/14/11/569291411.db2.gz	MGHBWEHTFDEJSJ-UHFFFAOYSA-N	0	0	449.406	7.449	50	30		IKEARN
O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008857176	569291413	/nfs/dbraw/zinc/29/14/13/569291413.db2.gz	XALPLJYVXBOZQV-HDHZYAPQSA-N	0	0	432.820	5.419	50	30		IKEARN
O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008857177	569291420	/nfs/dbraw/zinc/29/14/20/569291420.db2.gz	XALPLJYVXBOZQV-GBPUDXIESA-N	0	0	432.820	5.419	50	30		IKEARN
Cc1cccc(CSc2nc(-c3cccc(C(F)(F)F)c3)c3c(c2C#N)CCCC3)c1	ZINC000008857423	569291575	/nfs/dbraw/zinc/29/15/75/569291575.db2.gz	KYUYEIGITKLQGZ-UHFFFAOYSA-N	0	0	438.518	7.119	50	30		IKEARN
N#Cc1c(Oc2ccc(Cl)cc2Cl)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F	ZINC000008857347	569291605	/nfs/dbraw/zinc/29/16/05/569291605.db2.gz	VEGGJODGVCPKGF-UHFFFAOYSA-N	0	0	443.639	7.392	50	30		IKEARN
Cc1nnsc1/C(=N/c1ccc(Cl)cc1Cl)Oc1cccc(C(F)(F)F)c1	ZINC000008873361	569291708	/nfs/dbraw/zinc/29/17/08/569291708.db2.gz	ZHYZJRFRGPDLAV-KQWNVCNZSA-N	0	0	432.254	6.329	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008888192	569291908	/nfs/dbraw/zinc/29/19/08/569291908.db2.gz	PVCQIYANENDXBU-NOBPMBFOSA-N	0	0	436.895	5.981	50	30		IKEARN
COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888219	569291966	/nfs/dbraw/zinc/29/19/66/569291966.db2.gz	NSHLIMBWNHJGRP-FLUWZFHISA-N	0	0	441.861	5.992	50	30		IKEARN
O=C(C/C=N/OCc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccc(F)cc1	ZINC000008888415	569292050	/nfs/dbraw/zinc/29/20/50/569292050.db2.gz	CSLSVKAZZYYXMI-KKMKTNMSSA-N	0	0	446.305	6.487	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N	ZINC000009130396	569293956	/nfs/dbraw/zinc/29/39/56/569293956.db2.gz	FHPOTEJYQQSYNE-GDBMZVCRSA-N	0	0	449.458	5.193	50	30		IKEARN
CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(F)c3)n2c1C	ZINC000065315883	569294247	/nfs/dbraw/zinc/29/42/47/569294247.db2.gz	QBZQAECMJFLWMV-UHFFFAOYSA-N	0	0	434.496	5.171	50	30		IKEARN
N#Cc1ccccc1COc1ccc2ccccc2c1/C=C1/NC(=O)N(c2ccccc2)C1=O	ZINC000009260712	569294814	/nfs/dbraw/zinc/29/48/14/569294814.db2.gz	MIPXVWUCLJUECP-PCLIKHOPSA-N	0	0	445.478	5.388	50	30		IKEARN
N#Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1	ZINC000009261215	569294837	/nfs/dbraw/zinc/29/48/37/569294837.db2.gz	KSEKEIZJSKVVQT-KEBDBYFISA-N	0	0	438.867	5.847	50	30		IKEARN
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(OC)cc2)cc1	ZINC000009309214	569295206	/nfs/dbraw/zinc/29/52/06/569295206.db2.gz	FXLVFPPWWAKSNL-UHFFFAOYSA-N	0	0	442.544	5.506	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1c(Cl)cccc1Cl)CCCC3	ZINC000002388164	569295602	/nfs/dbraw/zinc/29/56/02/569295602.db2.gz	AOTOVFXUBDUZOJ-UHFFFAOYSA-N	0	0	437.417	6.122	50	30		IKEARN
COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)c1	ZINC000009597836	569297415	/nfs/dbraw/zinc/29/74/15/569297415.db2.gz	FUETUFSSHFXHMC-HNNXBMFYSA-N	0	0	435.549	5.687	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(CC)cc2)c1=O	ZINC000002398392	569298714	/nfs/dbraw/zinc/29/87/14/569298714.db2.gz	XSTAOZJOICHLTM-UHFFFAOYSA-N	0	0	439.563	5.816	50	30		IKEARN
C=C(C)CSc1nc(SCc2ccccc2)nc2sc3c(c21)CC(C)(C)OC3	ZINC000002403373	569299883	/nfs/dbraw/zinc/29/98/83/569299883.db2.gz	VVQGUKOORLZHJU-UHFFFAOYSA-N	0	0	428.648	6.503	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)C1CCCCC1	ZINC000002406404	569300244	/nfs/dbraw/zinc/30/02/44/569300244.db2.gz	JQRVOCZURAIOEB-NDENLUEZSA-N	0	0	427.294	5.551	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O	ZINC000002408854	569300481	/nfs/dbraw/zinc/30/04/81/569300481.db2.gz	KKRHWCUOOKZTMP-UHFFFAOYSA-N	0	0	443.526	5.702	50	30		IKEARN
N#Cc1c(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)sc2c1CCCC2	ZINC000002420192	569300785	/nfs/dbraw/zinc/30/07/85/569300785.db2.gz	VNTVFDMASFOWOE-UHFFFAOYSA-N	0	0	426.497	5.524	50	30		IKEARN
CC(C)(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1	ZINC000002414254	569301288	/nfs/dbraw/zinc/30/12/88/569301288.db2.gz	GYLYNPFQYSJXBG-MSXFZWOLSA-N	0	0	442.467	5.548	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1	ZINC000002416937	569301494	/nfs/dbraw/zinc/30/14/94/569301494.db2.gz	RZWGJNIUSNQWAG-QFIPXVFZSA-N	0	0	444.874	5.156	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(Cl)cc1	ZINC000002417720	569301571	/nfs/dbraw/zinc/30/15/71/569301571.db2.gz	IJVLLSIISYVHLN-JAIQZWGSSA-N	0	0	445.685	6.482	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c(OC)c1	ZINC000002418294	569301577	/nfs/dbraw/zinc/30/15/77/569301577.db2.gz	RQVBOYVJJZCQLX-AQHIEDMUSA-N	0	0	440.854	5.692	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(C)cc2)c1=O	ZINC000002424269	569302353	/nfs/dbraw/zinc/30/23/53/569302353.db2.gz	WMPAKOAVWWWSTJ-UHFFFAOYSA-N	0	0	439.563	5.622	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2CCCCCC)c1=O	ZINC000002425314	569302522	/nfs/dbraw/zinc/30/25/22/569302522.db2.gz	CLJDCTCTTMXGEQ-UHFFFAOYSA-N	0	0	433.600	6.154	50	30		IKEARN
COc1ccc(OC)c(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1	ZINC000002427224	569302630	/nfs/dbraw/zinc/30/26/30/569302630.db2.gz	BRPFOMTUFIAXNP-RMORIDSASA-N	0	0	440.854	5.692	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O	ZINC000002427329	569302638	/nfs/dbraw/zinc/30/26/38/569302638.db2.gz	OFRHJWWNRXPRAP-UHFFFAOYSA-N	0	0	439.563	5.871	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1ccccc1F	ZINC000011865065	569303099	/nfs/dbraw/zinc/30/30/99/569303099.db2.gz	VQSLIPXJXCNSAX-JAIQZWGSSA-N	0	0	439.236	5.424	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4Cl)ccc3C2=O)cc1	ZINC000011869310	569303127	/nfs/dbraw/zinc/30/31/27/569303127.db2.gz	SFCXPZLWKWLWTE-MYKKPKGFSA-N	0	0	439.338	7.312	50	30		IKEARN
O=C(/C=C/c1ccc(F)cc1)c1cc(Br)ccc1OC(=O)c1cccs1	ZINC000011867670	569303138	/nfs/dbraw/zinc/30/31/38/569303138.db2.gz	VIBOKXOLACOGOL-WEVVVXLNSA-N	0	0	431.282	5.765	50	30		IKEARN
O=C1ON(c2ccccc2)[C@@H](c2cccc3ccccc32)N1c1ccc(Cl)c(Cl)c1	ZINC000002442072	569304233	/nfs/dbraw/zinc/30/42/33/569304233.db2.gz	GZCATTISNWQGAU-QHCPKHFHSA-N	0	0	435.310	7.224	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)cc(OC)c1OC	ZINC000002448790	569304712	/nfs/dbraw/zinc/30/47/12/569304712.db2.gz	MNIPXZHJJJJJIV-FBHDLOMBSA-N	0	0	436.435	5.047	50	30		IKEARN
CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1	ZINC000002450557	569304996	/nfs/dbraw/zinc/30/49/96/569304996.db2.gz	RJNNANDABJZSRA-IYXZIDLBSA-N	0	0	432.608	6.063	50	30		IKEARN
N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@](=O)c1cccc(C(F)(F)F)c1	ZINC000012957150	569305021	/nfs/dbraw/zinc/30/50/21/569305021.db2.gz	LFKYEUMNBVOIIG-PMERELPUSA-N	0	0	432.398	5.135	50	30		IKEARN
COc1cccc(C(=O)Nc2ccc([S@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1	ZINC000012952881	569305156	/nfs/dbraw/zinc/30/51/56/569305156.db2.gz	KHXADZLRNWOGED-HKBQPEDESA-N	0	0	444.434	5.005	50	30		IKEARN
C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1	ZINC000013014238	569306331	/nfs/dbraw/zinc/30/63/31/569306331.db2.gz	MWNONHQLNVGGRZ-QGZVFWFLSA-N	0	0	443.503	5.953	50	30		IKEARN
COc1ccc2c(c1)nc(SCC(=O)Nc1cccc(C#N)c1)cc2-c1ccccc1	ZINC000013018103	569307255	/nfs/dbraw/zinc/30/72/55/569307255.db2.gz	PSEHVWIHWOIYQN-UHFFFAOYSA-N	0	0	425.513	5.513	50	30		IKEARN
Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1	ZINC000013029894	569307370	/nfs/dbraw/zinc/30/73/70/569307370.db2.gz	HBOYJQFJUUYZRX-UHFFFAOYSA-N	0	0	427.533	5.056	50	30		IKEARN
CCOc1cc(/C=C/C(=O)Nc2cccc(C#N)c2)ccc1OCCOc1ccc(F)cc1	ZINC000013075654	569308741	/nfs/dbraw/zinc/30/87/41/569308741.db2.gz	PZQHZNAREKGEGZ-NTUHNPAUSA-N	0	0	446.478	5.206	50	30		IKEARN
CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)/C=C/c1ccc(C#N)cc1	ZINC000013108800	569310251	/nfs/dbraw/zinc/31/02/51/569310251.db2.gz	CBNZGKSQTBBWJR-ACCUITESSA-N	0	0	432.545	5.269	50	30		IKEARN
Cc1cc(SCC(=O)Nc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N	ZINC000013134617	569311361	/nfs/dbraw/zinc/31/13/61/569311361.db2.gz	AXAUVUIFIJEETN-UHFFFAOYSA-N	0	0	441.343	5.705	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]12	ZINC000254397362	569316623	/nfs/dbraw/zinc/31/66/23/569316623.db2.gz	FVWJYYTZTCVBKE-UJZGQTOSSA-N	0	0	442.728	6.997	50	30		IKEARN
Cc1nc2cc(CNC(=O)c3cnn(-c4ccc(F)cc4)c3C(C)C)ccc2n1C1CC1	ZINC000328590121	569316830	/nfs/dbraw/zinc/31/68/30/569316830.db2.gz	DEEAASRZNDGFNR-UHFFFAOYSA-N	0	0	431.515	5.633	50	30		IKEARN
Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000328591510	569316932	/nfs/dbraw/zinc/31/69/32/569316932.db2.gz	NOJSUQRFZNVUIH-WAIKUNEKSA-N	0	0	428.454	6.272	50	30		IKEARN
O=C(NCCCSc1ccccn1)[C@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	ZINC000328591585	569317034	/nfs/dbraw/zinc/31/70/34/569317034.db2.gz	ZLJLEBJLGLYZCY-QGZVFWFLSA-N	0	0	438.380	5.132	50	30		IKEARN
C[C@H](CNC(=O)C[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1	ZINC000328596274	569317826	/nfs/dbraw/zinc/31/78/26/569317826.db2.gz	ACMXXXDIHBGZSY-DLBZAZTESA-N	0	0	445.629	6.030	50	30		IKEARN
CCCCOc1ccc(-c2c(C#N)c(N)nc(SCc3ccc(Cl)cc3)c2C#N)cc1	ZINC000019337684	569318478	/nfs/dbraw/zinc/31/84/78/569318478.db2.gz	MGZHKQRTYQEZAS-UHFFFAOYSA-N	0	0	448.979	6.199	50	30		IKEARN
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](CC(C)(C)C)c1ccc(Cl)cc1	ZINC000078870169	569319643	/nfs/dbraw/zinc/31/96/43/569319643.db2.gz	DZKXYCPUMLCATK-OAQYLSRUSA-N	0	0	437.975	5.098	50	30		IKEARN
C=CCn1c(S[C@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1ccco1	ZINC000079024313	569322580	/nfs/dbraw/zinc/32/25/80/569322580.db2.gz	OEMJGDSLVVRWDI-FQEVSTJZSA-N	0	0	441.516	5.656	50	30		IKEARN
C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC	ZINC000019596579	569323014	/nfs/dbraw/zinc/32/30/14/569323014.db2.gz	GHKKZAQQDQAHDA-UHFFFAOYSA-N	0	0	447.575	5.071	50	30		IKEARN
Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc(C#N)cc1F	ZINC000019631061	569323991	/nfs/dbraw/zinc/32/39/91/569323991.db2.gz	FYMZDWCLUVSXDK-UHFFFAOYSA-N	0	0	440.261	6.373	50	30		IKEARN
CSc1nc(Nc2cccc(Br)c2)c(C#N)c(-c2ccc(Cl)cc2)n1	ZINC000019820622	569330085	/nfs/dbraw/zinc/33/00/85/569330085.db2.gz	ZJRITOTZNFPSKT-UHFFFAOYSA-N	0	0	431.746	5.897	50	30		IKEARN
COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCCC4)cc2OC)cc1	ZINC000019840915	569330138	/nfs/dbraw/zinc/33/01/38/569330138.db2.gz	SUNRMQDUYXRLGB-UHFFFAOYSA-N	0	0	443.547	5.458	50	30		IKEARN
N#Cc1c(N)nc2c(c1-c1ccc(COc3cccc(Br)c3)o1)CCCCC2	ZINC000019841013	569330234	/nfs/dbraw/zinc/33/02/34/569330234.db2.gz	KALQLCNTLIUXHL-UHFFFAOYSA-N	0	0	438.325	5.406	50	30		IKEARN
N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(Br)cc3)o1)CCCCC2	ZINC000019840935	569330256	/nfs/dbraw/zinc/33/02/56/569330256.db2.gz	QJSLORZWWZTGMO-UHFFFAOYSA-N	0	0	438.325	5.406	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccc(Cl)cc2)CC1	ZINC000019857508	569330371	/nfs/dbraw/zinc/33/03/71/569330371.db2.gz	WFBVEEJVGAWHOL-UHFFFAOYSA-N	0	0	443.982	5.206	50	30		IKEARN
CCCc1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000020057844	569332780	/nfs/dbraw/zinc/33/27/80/569332780.db2.gz	IRACIFTWIRYNOE-UHFFFAOYSA-N	0	0	443.982	5.287	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)cc1	ZINC000020075581	569333772	/nfs/dbraw/zinc/33/37/72/569333772.db2.gz	MHTNWCADCODRQN-WGOQTCKBSA-N	0	0	438.572	5.300	50	30		IKEARN
COc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccc(C)cc2)ccc2ccccc21	ZINC000020075292	569333821	/nfs/dbraw/zinc/33/38/21/569333821.db2.gz	NXFDLBOQEXPKGQ-YZSQISJMSA-N	0	0	431.513	5.675	50	30		IKEARN
C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C	ZINC000020111722	569334516	/nfs/dbraw/zinc/33/45/16/569334516.db2.gz	XHSRFCRGSWRBSP-KYRPUADMSA-N	0	0	425.569	5.551	50	30	biogenic	IKEARN
O=C1/C(=C\c2ccc(Br)s2)CC/C1=C/c1ccc(Br)s1	ZINC000020115363	569335005	/nfs/dbraw/zinc/33/50/05/569335005.db2.gz	JCHGHRDQLMPPJN-XOHWUJONSA-N	0	0	430.186	6.165	50	30		IKEARN
Cc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1	ZINC000020131516	569335346	/nfs/dbraw/zinc/33/53/46/569335346.db2.gz	HFIHHZAWPCHJDQ-UHFFFAOYSA-N	0	0	426.545	5.662	50	30		IKEARN
CC(C)[C@@H]1c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2NC2=C1C(=O)CC(C)(C)C2	ZINC000020134462	569335691	/nfs/dbraw/zinc/33/56/91/569335691.db2.gz	CVHNDELSLUPQBT-KRWDZBQOSA-N	0	0	444.000	5.524	50	30		IKEARN
C=CCSC1=N/C(=C/c2ccc(OC(C)C)cc2)C(=O)N1c1ccc(OC)c(Cl)c1	ZINC000020152132	569336608	/nfs/dbraw/zinc/33/66/08/569336608.db2.gz	FPMODSGDTICMFM-DEDYPNTBSA-N	0	0	442.968	5.799	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Cl)ccc3n2)cc1OC	ZINC000020259277	569358452	/nfs/dbraw/zinc/35/84/52/569358452.db2.gz	PJMHXLKAMAWQJB-UHFFFAOYSA-N	0	0	449.919	5.758	50	30		IKEARN
N#CC[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)Nc1ccc(Cl)cc1	ZINC000020366109	569362159	/nfs/dbraw/zinc/36/21/59/569362159.db2.gz	NLMYZJUNNPNMCN-ZDUSSCGKSA-N	0	0	433.217	5.350	50	30		IKEARN
COc1c2c(cc3c1[C@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2	ZINC000020410457	569364016	/nfs/dbraw/zinc/36/40/16/569364016.db2.gz	SCRVHZJAEBYCPQ-FQEVSTJZSA-N	0	0	441.955	5.121	50	30	biogenic	IKEARN
C=CCN1C(=S)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C	ZINC000096278255	569389097	/nfs/dbraw/zinc/38/90/97/569389097.db2.gz	CKFDOFQBRZLEMP-FQEVSTJZSA-N	0	0	445.510	5.344	50	30		IKEARN
CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1	ZINC000096315874	569392772	/nfs/dbraw/zinc/39/27/72/569392772.db2.gz	GTRFNHUQKVSITM-CYVLTUHYSA-N	0	0	434.583	7.261	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1	ZINC000096346569	569397217	/nfs/dbraw/zinc/39/72/17/569397217.db2.gz	MVJQJXABALXQCO-RTBURBONSA-N	0	0	426.545	5.811	50	30		IKEARN
CC(=O)O[C@]1(c2ccoc2)C(=O)C(C2(c3ccccc3)SCCCS2)=C1OC(C)C	ZINC000096564372	569401332	/nfs/dbraw/zinc/40/13/32/569401332.db2.gz	UEADJTXCKASNNA-JOCHJYFZSA-N	0	0	444.574	5.023	50	30		IKEARN
C=CCN1C(=O)c2c3c(sc2N[C@@H]1SCc1cccc(Cl)c1Cl)CCCC3	ZINC000096592225	569401900	/nfs/dbraw/zinc/40/19/00/569401900.db2.gz	AHOXELPSWZCGFT-FQEVSTJZSA-N	0	0	439.433	6.204	50	30		IKEARN
Cc1cc(C(C)(C)C)cc(C)c1C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000334163617	569402188	/nfs/dbraw/zinc/40/21/88/569402188.db2.gz	YXGLUWIXSPJAHF-XNTDXEJSSA-N	0	0	432.991	7.729	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC	ZINC000028052535	569406772	/nfs/dbraw/zinc/40/67/72/569406772.db2.gz	VHXXFYJDKOXMIE-BXKMTCNYSA-N	0	0	430.504	5.267	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC	ZINC000028052529	569406800	/nfs/dbraw/zinc/40/68/00/569406800.db2.gz	TWCIAMNXLKVWJP-HOYKHHGWSA-N	0	0	430.504	5.267	50	30		IKEARN
COc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O	ZINC000028052261	569406825	/nfs/dbraw/zinc/40/68/25/569406825.db2.gz	LLRSHVCWDRHYSA-IVZQSRNASA-N	0	0	436.895	5.309	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000028051609	569406835	/nfs/dbraw/zinc/40/68/35/569406835.db2.gz	HYLJVUKIDKABHT-KKSFZXQISA-N	0	0	435.321	5.704	50	30		IKEARN
COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052305	569406865	/nfs/dbraw/zinc/40/68/65/569406865.db2.gz	DMOJYYSNYXAHLQ-VGSWGCGISA-N	0	0	448.906	5.381	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C	ZINC000028182514	569408751	/nfs/dbraw/zinc/40/87/51/569408751.db2.gz	PSEBQWOVGNVVAW-GATIEOLUSA-N	0	0	429.447	5.521	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21	ZINC000028182678	569408761	/nfs/dbraw/zinc/40/87/61/569408761.db2.gz	HIGJXBUSINTZNE-YSMPRRRNSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21	ZINC000028182621	569408789	/nfs/dbraw/zinc/40/87/89/569408789.db2.gz	IANJMAAMINZOIL-ROTLSHHCSA-N	0	0	447.893	6.649	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21	ZINC000028182842	569408890	/nfs/dbraw/zinc/40/88/90/569408890.db2.gz	NZJVEMLDYNICJQ-AXKXHUOPSA-N	0	0	430.548	5.461	50	30		IKEARN
Cc1cc(C(=O)COC(=O)c2ccc(C#N)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	ZINC000002617268	569410363	/nfs/dbraw/zinc/41/03/63/569410363.db2.gz	LVHQHDYBLVJPSV-UHFFFAOYSA-N	0	0	427.287	5.312	50	30		IKEARN
C=CCn1c(SCCCC(=O)Nc2c(C)cccc2C)nc2sc(C)c(C)c2c1=O	ZINC000002619515	569410725	/nfs/dbraw/zinc/41/07/25/569410725.db2.gz	AVQKYXBIHPFUKL-UHFFFAOYSA-N	0	0	441.622	5.389	50	30		IKEARN
C=CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccccc1	ZINC000002619903	569410822	/nfs/dbraw/zinc/41/08/22/569410822.db2.gz	GSQNYPQHYUVFIJ-UHFFFAOYSA-N	0	0	440.572	5.129	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1	ZINC000215673425	569411288	/nfs/dbraw/zinc/41/12/88/569411288.db2.gz	IPAFZAPWNDPTMC-LJQANCHMSA-N	0	0	444.604	5.773	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c21	ZINC000002625520	569411676	/nfs/dbraw/zinc/41/16/76/569411676.db2.gz	KIBFRPNSJHRPMB-UHFFFAOYSA-N	0	0	438.871	5.040	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002631376	569412476	/nfs/dbraw/zinc/41/24/76/569412476.db2.gz	MRJVZEUPGDNYIN-UHFFFAOYSA-N	0	0	431.565	5.031	50	30		IKEARN
C=CCOc1ccc(CN(C)CC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	ZINC000002646169	569414236	/nfs/dbraw/zinc/41/42/36/569414236.db2.gz	JGWNAMGKENZHPV-UHFFFAOYSA-N	0	0	448.950	5.206	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(COCC(F)(F)C(F)F)cc3)sc2C1	ZINC000002727887	569418651	/nfs/dbraw/zinc/41/86/51/569418651.db2.gz	ZWBAPQVGRLOZAO-GFCCVEGCSA-N	0	0	440.462	5.414	50	30		IKEARN
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)sc2C1	ZINC000002742231	569419844	/nfs/dbraw/zinc/41/98/44/569419844.db2.gz	KMVQYZAWHWLFOY-SBUREZEXSA-N	0	0	432.614	6.607	50	30		IKEARN
Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)sc2c1	ZINC000002740657	569419878	/nfs/dbraw/zinc/41/98/78/569419878.db2.gz	FLBNUXFKJHFBST-ZDUSSCGKSA-N	0	0	443.037	7.200	50	30		IKEARN
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1Cl	ZINC000002742692	569419946	/nfs/dbraw/zinc/41/99/46/569419946.db2.gz	FOJWDYCGLLYXFJ-UHFFFAOYSA-N	0	0	448.379	5.114	50	30		IKEARN
C=CCOc1ccc(Br)c([C@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1	ZINC000002746628	569420060	/nfs/dbraw/zinc/42/00/60/569420060.db2.gz	MLGUBIKPNRFAGR-QHCPKHFHSA-N	0	0	449.348	6.093	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Br)cc3)sc2C1	ZINC000002753091	569420347	/nfs/dbraw/zinc/42/03/47/569420347.db2.gz	IWAOPYIYVVRETN-KDHUCADRSA-N	0	0	443.410	6.185	50	30		IKEARN
Oc1ccc(/N=C/C=C/c2ccc(Cl)cc2Cl)cc1-c1nc2ccccc2s1	ZINC000002756857	569420351	/nfs/dbraw/zinc/42/03/51/569420351.db2.gz	FSCVJISZUKFERC-UMKNWRDPSA-N	0	0	425.340	7.391	50	30		IKEARN
Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br	ZINC000002790907	569421530	/nfs/dbraw/zinc/42/15/30/569421530.db2.gz	BYNAUSKQQZFGOL-OLZOCXBDSA-N	0	0	449.418	5.238	50	30		IKEARN
C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000002790829	569421571	/nfs/dbraw/zinc/42/15/71/569421571.db2.gz	ZXFJQVARNFMMEO-CHWSQXEVSA-N	0	0	449.418	5.005	50	30		IKEARN
Cc1nn([C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br	ZINC000002790909	569421612	/nfs/dbraw/zinc/42/16/12/569421612.db2.gz	BYNAUSKQQZFGOL-CHWSQXEVSA-N	0	0	449.418	5.238	50	30		IKEARN
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc12	ZINC000002792308	569421615	/nfs/dbraw/zinc/42/16/15/569421615.db2.gz	ZCRXLYUKWVLFRP-UHFFFAOYSA-N	0	0	439.584	6.371	50	30		IKEARN
Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2n1	ZINC000002804514	569422512	/nfs/dbraw/zinc/42/25/12/569422512.db2.gz	MAKMLIKPFOARDP-UHFFFAOYSA-N	0	0	441.560	5.316	50	30		IKEARN
CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F	ZINC000670420946	569422953	/nfs/dbraw/zinc/42/29/53/569422953.db2.gz	DBUAPPJYRIGNCY-VXGBXAGGSA-N	0	0	430.238	5.362	50	30		IKEARN
CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F	ZINC000670420945	569423066	/nfs/dbraw/zinc/42/30/66/569423066.db2.gz	DBUAPPJYRIGNCY-RYUDHWBXSA-N	0	0	430.238	5.362	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1	ZINC000002880200	569423965	/nfs/dbraw/zinc/42/39/65/569423965.db2.gz	YKFVCOQAAONHKV-OAHLLOKOSA-N	0	0	440.524	5.770	50	30		IKEARN
N#Cc1ccccc1NC(=O)CCSc1nc2ccc(Cl)cc2c(-c2ccccc2)n1	ZINC000002883734	569424089	/nfs/dbraw/zinc/42/40/89/569424089.db2.gz	FMWZMRCOSVPWAJ-UHFFFAOYSA-N	0	0	444.947	5.943	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)c(Cl)c2)ccc1Sc1ccccc1	ZINC000003028604	569436474	/nfs/dbraw/zinc/43/64/74/569436474.db2.gz	QPHDPPDNORGEBI-FSJBWODESA-N	0	0	433.316	6.604	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])cc1	ZINC000003028590	569436480	/nfs/dbraw/zinc/43/64/80/569436480.db2.gz	NYKSDEXOHXQEEK-WYMPLXKRSA-N	0	0	447.343	6.912	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1	ZINC000003028564	569436511	/nfs/dbraw/zinc/43/65/11/569436511.db2.gz	CIOJSEUNDAJRGQ-WYMPLXKRSA-N	0	0	447.343	6.912	50	30		IKEARN
Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)c1	ZINC000003041813	569438484	/nfs/dbraw/zinc/43/84/84/569438484.db2.gz	XFJYORQPNFBYJP-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1cccc(NC(=O)c2ccccc2)c1	ZINC000003043802	569438515	/nfs/dbraw/zinc/43/85/15/569438515.db2.gz	AJHHMLFJNSMPOL-MUFRIFMGSA-N	0	0	445.482	5.376	50	30		IKEARN
CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21	ZINC000230138111	569439191	/nfs/dbraw/zinc/43/91/91/569439191.db2.gz	WVXXEBLHRGPWQV-YXRNEHCBSA-N	0	0	446.635	6.498	50	30		IKEARN
O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1cccc(C(F)(F)F)c1	ZINC000003063848	569439607	/nfs/dbraw/zinc/43/96/07/569439607.db2.gz	VZSIOPSNXWQWFN-HFTWOUSFSA-N	0	0	444.840	5.827	50	30		IKEARN
O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)cc1Cl	ZINC000003063916	569439622	/nfs/dbraw/zinc/43/96/22/569439622.db2.gz	BNXQEUQTLCCECS-QLYXXIJNSA-N	0	0	445.733	6.115	50	30		IKEARN
Cc1c(Cl)cccc1/N=C/c1ccc(OC(=O)c2ccc([N+](=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000003079809	569439874	/nfs/dbraw/zinc/43/98/74/569439874.db2.gz	QHYHJTLMWXPQJP-UFFVCSGVSA-N	0	0	429.772	5.028	50	30		IKEARN
Oc1c(F)cccc1/C=N/c1ccc(Oc2ccc(/N=C/c3cccc(F)c3O)cc2)cc1	ZINC000003087072	569439908	/nfs/dbraw/zinc/43/99/08/569439908.db2.gz	QFSKVYNRQCMLKO-CMNXJCJSSA-N	0	0	444.437	6.670	50	30		IKEARN
Cc1ccc2sc(-c3ccc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3)nc2c1	ZINC000003085094	569439946	/nfs/dbraw/zinc/43/99/46/569439946.db2.gz	GWGROCOPQRKQKE-CCVNUDIWSA-N	0	0	446.934	8.075	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccs1	ZINC000230213199	569440145	/nfs/dbraw/zinc/44/01/45/569440145.db2.gz	XQRHHEAEMRWLDQ-YTFSRNRJSA-N	0	0	441.943	5.686	50	30		IKEARN
COC(=O)Nc1ccc(SC(=O)CSC(F)(F)C(F)(F)C(F)(F)F)cc1	ZINC000003098923	569440162	/nfs/dbraw/zinc/44/01/62/569440162.db2.gz	DDEBVSGREHSMLH-UHFFFAOYSA-N	0	0	425.347	5.007	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000003100780	569440233	/nfs/dbraw/zinc/44/02/33/569440233.db2.gz	BLERJTVSKPHGNG-JOCHJYFZSA-N	0	0	438.524	5.075	50	30		IKEARN
CSc1cc(-c2ccc(Cl)cc2)n(Cc2ccc(Cl)c(Cl)c2)c(=O)c1C#N	ZINC000003105325	569440291	/nfs/dbraw/zinc/44/02/91/569440291.db2.gz	MDVXTDFMZWUFPC-UHFFFAOYSA-N	0	0	435.763	6.117	50	30		IKEARN
CSc1sc(C(=O)Nc2ccc(F)c(Cl)c2)c(-c2ccc(Cl)cc2)c1C#N	ZINC000003120098	569440364	/nfs/dbraw/zinc/44/03/64/569440364.db2.gz	FUBQHYZXPIGMGV-UHFFFAOYSA-N	0	0	437.348	6.707	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@H]3c2ccccc2)cc1	ZINC000003133492	569440707	/nfs/dbraw/zinc/44/07/07/569440707.db2.gz	JYQLFXRCUAMMQO-QYTZQGLJSA-N	0	0	432.519	7.208	50	30		IKEARN
Cc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000003133436	569440709	/nfs/dbraw/zinc/44/07/09/569440709.db2.gz	ALEFMTZWRAUYNF-WHNPURCTSA-N	0	0	436.938	7.853	50	30		IKEARN
COc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(OC)cc3)[C@@H]2c2ccccc2)cc1	ZINC000003133475	569440737	/nfs/dbraw/zinc/44/07/37/569440737.db2.gz	KMGJEOONQRBYEI-QYTZQGLJSA-N	0	0	448.518	6.908	50	30		IKEARN
N#Cc1c(NCc2ccccc2)nc(-c2ccccn2)nc1-c1cccc(C(F)(F)F)c1	ZINC000003133820	569440742	/nfs/dbraw/zinc/44/07/42/569440742.db2.gz	ZGBZUOKPRJWYGI-UHFFFAOYSA-N	0	0	431.421	5.708	50	30		IKEARN
CCCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccccc1	ZINC000003158166	569441001	/nfs/dbraw/zinc/44/10/01/569441001.db2.gz	OKFNIQJJKNNDNR-JOCHJYFZSA-N	0	0	437.565	5.408	50	30		IKEARN
CCCC[C@@H](CC)Cn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(F)cc1	ZINC000003169270	569441131	/nfs/dbraw/zinc/44/11/31/569441131.db2.gz	USCHVSWARHJZMV-QGZVFWFLSA-N	0	0	443.526	6.064	50	30		IKEARN
Cc1cc2nnc(SCCC(=O)Nc3sc4c(c3C#N)CCCC4)n2c2ccccc12	ZINC000003195601	569441555	/nfs/dbraw/zinc/44/15/55/569441555.db2.gz	NYYWPYJYNHUWHJ-UHFFFAOYSA-N	0	0	447.589	5.124	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O	ZINC000003195147	569441567	/nfs/dbraw/zinc/44/15/67/569441567.db2.gz	XJIORJRAKUASEK-UHFFFAOYSA-N	0	0	429.516	6.158	50	30		IKEARN
C=COc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003199723	569441584	/nfs/dbraw/zinc/44/15/84/569441584.db2.gz	GXPQQIRSQJMPTA-UHFFFAOYSA-N	0	0	430.467	6.694	50	30		IKEARN
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)c1	ZINC000003212022	569441721	/nfs/dbraw/zinc/44/17/21/569441721.db2.gz	SBFYQLFRZBNFFU-UHFFFAOYSA-N	0	0	427.592	7.323	50	30		IKEARN
CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000003219223	569441899	/nfs/dbraw/zinc/44/18/99/569441899.db2.gz	LGKUDIHGIWPUOR-UHFFFAOYSA-N	0	0	444.556	5.802	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)OCC(=O)N(CCC#N)c3ccccc3)c3ccccc3n2)cc1	ZINC000003219559	569441901	/nfs/dbraw/zinc/44/19/01/569441901.db2.gz	OYRWOKIYOXMQOI-UHFFFAOYSA-N	0	0	449.510	5.314	50	30		IKEARN
N#Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	ZINC000003232556	569442346	/nfs/dbraw/zinc/44/23/46/569442346.db2.gz	QXNQWKRNKNOBCD-UHFFFAOYSA-N	0	0	436.920	5.299	50	30		IKEARN
N#Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1	ZINC000003243890	569442692	/nfs/dbraw/zinc/44/26/92/569442692.db2.gz	UFAYOEPPYJZJCO-UHFFFAOYSA-N	0	0	432.455	5.059	50	30		IKEARN
CC[C@@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O	ZINC000003244150	569442704	/nfs/dbraw/zinc/44/27/04/569442704.db2.gz	KLEMNTVKTPEXQB-GOSISDBHSA-N	0	0	448.592	5.215	50	30		IKEARN
CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc21	ZINC000003255108	569443012	/nfs/dbraw/zinc/44/30/12/569443012.db2.gz	ITNARQCETQLHME-UHFFFAOYSA-N	0	0	447.528	5.808	50	30		IKEARN
N#Cc1c2nc3ccccc3nc2n(Cc2ccccc2)c1NC(=O)/C=C/c1ccccc1	ZINC000003261071	569443218	/nfs/dbraw/zinc/44/32/18/569443218.db2.gz	NAEICXRISLRCSX-FOCLMDBBSA-N	0	0	429.483	5.156	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc3ccccc3c1)sc1c2CCC1	ZINC000003267060	569443423	/nfs/dbraw/zinc/44/34/23/569443423.db2.gz	PMYCYZDQEWSSMQ-UHFFFAOYSA-N	0	0	432.570	5.261	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)cs2)cc1	ZINC000003299346	569444359	/nfs/dbraw/zinc/44/43/59/569444359.db2.gz	UKHLHNMUONSEIE-UHFFFAOYSA-N	0	0	449.495	5.058	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3OCC)s2)c1C	ZINC000003309143	569445354	/nfs/dbraw/zinc/44/53/54/569445354.db2.gz	SEXKFYNUVZKMOG-UHFFFAOYSA-N	0	0	428.583	5.260	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)OCc1csc(-c2ccccc2)n1	ZINC000003354325	569447552	/nfs/dbraw/zinc/44/75/52/569447552.db2.gz	QBDJQEFUJBRDFI-UHFFFAOYSA-N	0	0	428.538	6.190	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s2)cc1	ZINC000003355524	569447597	/nfs/dbraw/zinc/44/75/97/569447597.db2.gz	POZPYTLYIWRSLK-UHFFFAOYSA-N	0	0	442.569	5.550	50	30		IKEARN
COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2)cc1Cl	ZINC000003359869	569447822	/nfs/dbraw/zinc/44/78/22/569447822.db2.gz	NIDZZOGVFNBPBG-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(CC)cccc2CC)nc2sc(C)c(C)c2c1=O	ZINC000003361896	569447909	/nfs/dbraw/zinc/44/79/09/569447909.db2.gz	QJLQWBYJWCRMEF-UHFFFAOYSA-N	0	0	441.622	5.116	50	30		IKEARN
N#C[C@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1	ZINC000003366223	569448139	/nfs/dbraw/zinc/44/81/39/569448139.db2.gz	KRVHDTCPMVGTAD-NZQKXSOJSA-N	0	0	440.528	5.007	50	30		IKEARN
N#C[C@@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1	ZINC000003366234	569448141	/nfs/dbraw/zinc/44/81/41/569448141.db2.gz	KRVHDTCPMVGTAD-OFNKIYASSA-N	0	0	440.528	5.007	50	30		IKEARN
N#C[C@H](Cc1ccccc1)Sc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1	ZINC000003366231	569448152	/nfs/dbraw/zinc/44/81/52/569448152.db2.gz	KRVHDTCPMVGTAD-REWPJTCUSA-N	0	0	440.528	5.007	50	30		IKEARN
CCCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc21	ZINC000003368538	569448260	/nfs/dbraw/zinc/44/82/60/569448260.db2.gz	MSVGXOFQMYYDQE-UHFFFAOYSA-N	0	0	443.565	6.059	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)c3ccccc3OCc3ccccc3Cl)cc2)cc1	ZINC000003376113	569448614	/nfs/dbraw/zinc/44/86/14/569448614.db2.gz	GXADJVSKBHSDEY-UHFFFAOYSA-N	0	0	439.898	6.677	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nnc1-c1cccc(C)c1	ZINC000003378096	569448683	/nfs/dbraw/zinc/44/86/83/569448683.db2.gz	SSEMPWRFGMVOCA-UHFFFAOYSA-N	0	0	448.379	5.181	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(CC)cc2c1=O	ZINC000003446734	569451378	/nfs/dbraw/zinc/45/13/78/569451378.db2.gz	DRNNYEBOIPDFSD-UHFFFAOYSA-N	0	0	435.574	5.090	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)CSC(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000003447042	569451437	/nfs/dbraw/zinc/45/14/37/569451437.db2.gz	LXZYEWAPSWXKGB-UHFFFAOYSA-N	0	0	435.548	6.653	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1	ZINC000217799481	569453377	/nfs/dbraw/zinc/45/33/77/569453377.db2.gz	OGVUEVZLBVSKDA-HQOKVJKCSA-N	0	0	448.858	5.111	50	30	biogenic	IKEARN
C=C(C)COc1ccccc1[C@@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O	ZINC000218112263	569456346	/nfs/dbraw/zinc/45/63/46/569456346.db2.gz	OITGNENIPHFEMQ-BIFQTZPZSA-N	0	0	439.467	5.094	50	30	biogenic	IKEARN
CC(C)Cc1c(C#N)c(SCC(=O)c2ccc(Br)cc2)nc2c1CCCC2	ZINC000003879152	569456773	/nfs/dbraw/zinc/45/67/73/569456773.db2.gz	IOOZBAXCVOLDKH-UHFFFAOYSA-N	0	0	443.410	5.768	50	30		IKEARN
Cc1[nH]c2ccccc2c1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000004016916	569458209	/nfs/dbraw/zinc/45/82/09/569458209.db2.gz	XIVDZQQARCPIPT-WGOQTCKBSA-N	0	0	434.507	5.595	50	30		IKEARN
COc1c2c(cc3c1[C@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2	ZINC000004028209	569458253	/nfs/dbraw/zinc/45/82/53/569458253.db2.gz	SSFGQCRZUFDDEM-ZKMZRDRYSA-N	0	0	425.569	5.241	50	30	biogenic	IKEARN
N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccccc1)CC/C2=C/c1ccccc1	ZINC000031934156	569458458	/nfs/dbraw/zinc/45/84/58/569458458.db2.gz	ULUYMMFZEHEIJN-MOHJPFBDSA-N	0	0	430.576	7.399	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000004073569	569458650	/nfs/dbraw/zinc/45/86/50/569458650.db2.gz	IBHLVHLIYYDTRV-ABDZCSFESA-N	0	0	439.728	8.494	50	30	biogenic	IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1	ZINC000004074964	569458655	/nfs/dbraw/zinc/45/86/55/569458655.db2.gz	NSTOXWAGNZTKNY-NIYFSFCBSA-N	0	0	427.479	5.141	50	30		IKEARN
FC(F)(F)c1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000004080723	569458663	/nfs/dbraw/zinc/45/86/63/569458663.db2.gz	MPXXGOZXIGCONM-JFLMPSFJSA-N	0	0	449.440	5.824	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(c2ccc(O)cc2)C1=O	ZINC000004109161	569459148	/nfs/dbraw/zinc/45/91/48/569459148.db2.gz	UPPQVMCUFAJDIF-ZMPCKTLKSA-N	0	0	447.541	5.277	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cc3ccc(OC)c(OC)c3)sc2C1	ZINC000004156081	569460586	/nfs/dbraw/zinc/46/05/86/569460586.db2.gz	UDUQVXVCJJJQOK-MRXNPFEDSA-N	0	0	426.582	5.359	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc([N+](=O)[O-])o1)N2	ZINC000004165205	569460620	/nfs/dbraw/zinc/46/06/20/569460620.db2.gz	MIXRBHVLJOQBJI-HSZRJFAPSA-N	0	0	429.432	5.005	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C	ZINC000032189138	569460705	/nfs/dbraw/zinc/46/07/05/569460705.db2.gz	FMKZYCFZDCXDQH-ZMOGYAJESA-N	0	0	436.855	5.057	50	30		IKEARN
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)cc1OC	ZINC000004186253	569460805	/nfs/dbraw/zinc/46/08/05/569460805.db2.gz	DDMQVOJODFMUKX-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
COc1ccccc1NC(=NC(=O)c1ccc(Cl)cc1)NCCc1c[nH]c2ccccc12	ZINC000066437603	569462154	/nfs/dbraw/zinc/46/21/54/569462154.db2.gz	JOQNBIBRAGVABX-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2)cc1	ZINC000066437681	569462162	/nfs/dbraw/zinc/46/21/62/569462162.db2.gz	OHRPEWSPPFTGAA-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)cc1	ZINC000066437678	569462209	/nfs/dbraw/zinc/46/22/09/569462209.db2.gz	DGQKBSUQSYCLGN-UHFFFAOYSA-N	0	0	440.547	5.234	50	30		IKEARN
CCC[C@H](C#N)C(NC(=O)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1	ZINC000008431188	569464233	/nfs/dbraw/zinc/46/42/33/569464233.db2.gz	COUWWYKITBTFJN-JOCHJYFZSA-N	0	0	447.376	6.063	50	30		IKEARN
COC(=O)[C@@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1	ZINC000008451268	569465101	/nfs/dbraw/zinc/46/51/01/569465101.db2.gz	CWKQEQWNBPDTFO-QHCPKHFHSA-N	0	0	442.565	6.355	50	30		IKEARN
CCCCCCCCCCCCCCNc1c2ccccc2nc2c1C(=O)CC(C)(C)C2	ZINC000008453857	569465162	/nfs/dbraw/zinc/46/51/62/569465162.db2.gz	ZGUUWQAJJCXSKT-UHFFFAOYSA-N	0	0	436.684	8.503	50	30		IKEARN
O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000008694235	569470057	/nfs/dbraw/zinc/47/00/57/569470057.db2.gz	ZUCDXCDTCAMUQB-GOTSBHOMSA-N	0	0	443.959	6.053	50	30		IKEARN
CCOc1ccc(C(=O)CC(N=Nc2nc(-c3ccccc3)cs2)C(F)(F)F)cc1	ZINC000008694814	569470166	/nfs/dbraw/zinc/47/01/66/569470166.db2.gz	CMAJJKNKVNSUHY-XHPQRKPJSA-N	0	0	433.455	5.812	50	30		IKEARN
CSc1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1	ZINC000008695515	569470190	/nfs/dbraw/zinc/47/01/90/569470190.db2.gz	QOMIDTHELRGFPC-LFVJCYFKSA-N	0	0	427.537	5.527	50	30		IKEARN
Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2cn(CCC#N)nc2-c2ccccc2)c1	ZINC000008721435	569471683	/nfs/dbraw/zinc/47/16/83/569471683.db2.gz	YWFHZQNERSRJIK-AREMUKBSSA-N	0	0	433.515	5.543	50	30		IKEARN
C=CCNc1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1	ZINC000008733607	569472513	/nfs/dbraw/zinc/47/25/13/569472513.db2.gz	WDJXOUYGFJQWLY-UHFFFAOYSA-N	0	0	448.444	6.966	50	30		IKEARN
N#Cc1ccc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Br)cc1	ZINC000008733535	569472517	/nfs/dbraw/zinc/47/25/17/569472517.db2.gz	XWVUWUDKZMGDQB-UHFFFAOYSA-N	0	0	435.268	6.553	50	30		IKEARN
CCN(CC)c1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N	ZINC000008762241	569474295	/nfs/dbraw/zinc/47/42/95/569474295.db2.gz	HJAXPFCUNASHGS-UHFFFAOYSA-N	0	0	442.510	6.173	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2c(Cl)cccc2Cl)ccc1SCc1ccccc1	ZINC000008762680	569474338	/nfs/dbraw/zinc/47/43/38/569474338.db2.gz	LURIGFFCUVIWNZ-WYMPLXKRSA-N	0	0	447.343	6.745	50	30		IKEARN
C[C@@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1	ZINC000008763348	569474385	/nfs/dbraw/zinc/47/43/85/569474385.db2.gz	ZTAJNUUCTRKCMJ-IAYWTGDDSA-N	0	0	429.545	5.090	50	30		IKEARN
CC(C)(C)c1ccc(CSc2nc(-c3ccc(Cl)cc3)c3c(c2C#N)CCCC3)cc1	ZINC000008763297	569474441	/nfs/dbraw/zinc/47/44/41/569474441.db2.gz	HGVJYXRGTROLKY-UHFFFAOYSA-N	0	0	447.047	7.742	50	30		IKEARN
COc1ccc(N2C(SC)=N/C(=N\c3cccc(C(F)(F)F)c3)C23CCCCC3)cc1	ZINC000008763988	569474455	/nfs/dbraw/zinc/47/44/55/569474455.db2.gz	REIGONRQIWHGBO-OOAXWGSJSA-N	0	0	447.526	6.686	50	30		IKEARN
Cc1ccc([C@@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1	ZINC000008781565	569475629	/nfs/dbraw/zinc/47/56/29/569475629.db2.gz	GLSDWIARAGBKDB-QFIPXVFZSA-N	0	0	448.950	6.329	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1	ZINC000008782283	569475806	/nfs/dbraw/zinc/47/58/06/569475806.db2.gz	IQUCGUDURTXEDY-DXPJPUQTSA-N	0	0	448.925	6.467	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O	ZINC000008791187	569476155	/nfs/dbraw/zinc/47/61/55/569476155.db2.gz	KOEWWJHCGXOYSZ-QQAHGDJHSA-N	0	0	430.887	6.243	50	30	biogenic	IKEARN
COc1ccc(/C=C/C(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)c(OC)c1OC	ZINC000008809470	569476514	/nfs/dbraw/zinc/47/65/14/569476514.db2.gz	VEZKSGMIWGTDTD-RVDMUPIBSA-N	0	0	432.472	5.136	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1	ZINC000008820968	569477153	/nfs/dbraw/zinc/47/71/53/569477153.db2.gz	UBHSKOIJTFDGFS-YBFXNURJSA-N	0	0	445.327	6.154	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008827731	569477685	/nfs/dbraw/zinc/47/76/85/569477685.db2.gz	FULOFADDMZMQLB-HSZRJFAPSA-N	0	0	446.503	5.288	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008827732	569477689	/nfs/dbraw/zinc/47/76/89/569477689.db2.gz	FULOFADDMZMQLB-QHCPKHFHSA-N	0	0	446.503	5.288	50	30		IKEARN
Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\C2CCCCC2)cc1	ZINC000008842899	569478451	/nfs/dbraw/zinc/47/84/51/569478451.db2.gz	ORCVMQIXEABWQC-QDJRPKQISA-N	0	0	435.618	6.175	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2cccs2)nc1SCCC(=O)Nc1nccs1	ZINC000008843599	569478501	/nfs/dbraw/zinc/47/85/01/569478501.db2.gz	DZCGMWFLAMGITB-UHFFFAOYSA-N	0	0	440.497	5.278	50	30		IKEARN
COc1ccc(CCNc2oc(-c3ccc(COc4ccc(C)cc4)o3)nc2C#N)cc1	ZINC000008844492	569478611	/nfs/dbraw/zinc/47/86/11/569478611.db2.gz	VYJVHYNKVQSWMR-UHFFFAOYSA-N	0	0	429.476	5.357	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000008854689	569479616	/nfs/dbraw/zinc/47/96/16/569479616.db2.gz	WJQZBUOPUBDDJG-OAQYLSRUSA-N	0	0	437.417	5.797	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@H]2c1ccccc1	ZINC000008854651	569479627	/nfs/dbraw/zinc/47/96/27/569479627.db2.gz	WRCJNJHZYXADIT-DEOSSOPVSA-N	0	0	446.547	6.407	50	30		IKEARN
Cc1ccn2c(/C=N/OCc3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)nc2c1	ZINC000008855354	569479693	/nfs/dbraw/zinc/47/96/93/569479693.db2.gz	SEHJEEPYJFLYTF-RPPGKUMJSA-N	0	0	444.749	6.821	50	30		IKEARN
Clc1ccc(SC/C(=N\OCc2ccc(Cl)cc2Cl)c2ccccc2)cc1	ZINC000008855276	569479701	/nfs/dbraw/zinc/47/97/01/569479701.db2.gz	LWAUVHMHAHHGHE-NJNXFGOHSA-N	0	0	436.791	7.360	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCCC(=O)c1ccc(F)cc1	ZINC000008856208	569479711	/nfs/dbraw/zinc/47/97/11/569479711.db2.gz	LLTKTNGIQAZFEI-UHFFFAOYSA-N	0	0	438.527	6.791	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000008857937	569479878	/nfs/dbraw/zinc/47/98/78/569479878.db2.gz	HBLGLZQWEYAKKR-JOCHJYFZSA-N	0	0	448.906	5.307	50	30		IKEARN
CC(N=Nc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1)c1ccc(Cl)cc1	ZINC000008871996	569480868	/nfs/dbraw/zinc/48/08/68/569480868.db2.gz	NFLMPAKLXLCXRF-MTDXEUNCSA-N	0	0	442.011	5.122	50	30		IKEARN
C=CCc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(CC=C)C2=O)cc1	ZINC000008872398	569480954	/nfs/dbraw/zinc/48/09/54/569480954.db2.gz	AQKNXGWCMBJCMB-XLNRJJMWSA-N	0	0	437.586	5.260	50	30		IKEARN
CCOc1ccccc1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000008872368	569480956	/nfs/dbraw/zinc/48/09/56/569480956.db2.gz	NHVSBZZENAFUNC-KOEQRZSOSA-N	0	0	425.496	5.204	50	30		IKEARN
COc1ccc(-c2nc(N=NCc3ccc(OC)cc3OC)sc2-c2ccccc2)cc1	ZINC000008872769	569481033	/nfs/dbraw/zinc/48/10/33/569481033.db2.gz	RYPZMXSRTGJBGH-WGOQTCKBSA-N	0	0	445.544	5.949	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1ccc(F)cc1	ZINC000039841567	569481902	/nfs/dbraw/zinc/48/19/02/569481902.db2.gz	DYFKMFABLDBEOD-UHFFFAOYSA-N	0	0	433.870	6.197	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C	ZINC000008894181	569483623	/nfs/dbraw/zinc/48/36/23/569483623.db2.gz	SKDSIEVORVZBEE-IBGZPJMESA-N	0	0	438.936	5.505	50	30		IKEARN
Oc1ccccc1N=NC(=NN=c1[nH]c2ccccc2n1Cc1ccccc1)c1ccccc1	ZINC000008926297	569487225	/nfs/dbraw/zinc/48/72/25/569487225.db2.gz	NWJILJNACPMLER-JBIZZRMRSA-N	0	0	446.514	6.348	50	30		IKEARN
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccccc3)c2CO1	ZINC000008934599	569487940	/nfs/dbraw/zinc/48/79/40/569487940.db2.gz	RGZSQWSJLLHCNE-UHFFFAOYSA-N	0	0	432.907	5.387	50	30		IKEARN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000008934783	569487970	/nfs/dbraw/zinc/48/79/70/569487970.db2.gz	XJRNJVPPRHJVJP-OAQYLSRUSA-N	0	0	446.528	5.108	50	30		IKEARN
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@H]2c2cccs2)c1C#N	ZINC000008936461	569488003	/nfs/dbraw/zinc/48/80/03/569488003.db2.gz	ACGLIPLICULNBP-NRFANRHFSA-N	0	0	436.556	5.001	50	30		IKEARN
Cc1cc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000008958983	569490285	/nfs/dbraw/zinc/49/02/85/569490285.db2.gz	RUAKEVKLRHDZSC-PCLIKHOPSA-N	0	0	439.899	5.851	50	30		IKEARN
N#Cc1c(SCC(=O)c2cccs2)nc(-c2ccccc2)cc1-c1ccc(F)cc1	ZINC000008965143	569491324	/nfs/dbraw/zinc/49/13/24/569491324.db2.gz	XVSGCDDUCJOZOS-UHFFFAOYSA-N	0	0	430.529	6.463	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)c1ccc(F)cc1	ZINC000008965444	569491425	/nfs/dbraw/zinc/49/14/25/569491425.db2.gz	VTJPSTIBDKHSKF-UHFFFAOYSA-N	0	0	442.490	6.540	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@@H](C(F)(F)F)C3)s2)cc1	ZINC000040140472	569491595	/nfs/dbraw/zinc/49/15/95/569491595.db2.gz	QZLAYNKWUAXCBM-ZIAGYGMSSA-N	0	0	426.489	5.009	50	30		IKEARN
C=CCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1	ZINC000008966346	569491773	/nfs/dbraw/zinc/49/17/73/569491773.db2.gz	KACGBNFAWPVYOF-GFCCVEGCSA-N	0	0	429.958	5.749	50	30		IKEARN
COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1ccc(C)c(C)c1	ZINC000008984162	569494690	/nfs/dbraw/zinc/49/46/90/569494690.db2.gz	CKKLSIBGNGWFTG-YZSQISJMSA-N	0	0	449.507	5.514	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008985584	569494847	/nfs/dbraw/zinc/49/48/47/569494847.db2.gz	XDMMNKSTZOZEBT-OAQYLSRUSA-N	0	0	448.544	5.448	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccc(OC)c4)ccc3C2=O)c2ccccc21	ZINC000008990553	569495028	/nfs/dbraw/zinc/49/50/28/569495028.db2.gz	UYMBDJMZLHKKOW-AFUMVMLFSA-N	0	0	439.467	5.505	50	30		IKEARN
COC(=O)c1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008990345	569495044	/nfs/dbraw/zinc/49/50/44/569495044.db2.gz	GIDXKFVGVVMQDH-RGEXLXHISA-N	0	0	443.455	5.055	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c2ccccc21	ZINC000008993586	569495512	/nfs/dbraw/zinc/49/55/12/569495512.db2.gz	WPOMVAFQPOBABC-AFUMVMLFSA-N	0	0	443.930	6.818	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000008996267	569495794	/nfs/dbraw/zinc/49/57/94/569495794.db2.gz	DXCFOPCZNVXJEO-HSZRJFAPSA-N	0	0	442.515	5.171	50	30		IKEARN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000009007962	569496161	/nfs/dbraw/zinc/49/61/61/569496161.db2.gz	AWHNIOPWOJZCQF-QFIPXVFZSA-N	0	0	446.890	5.083	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009015442	569496712	/nfs/dbraw/zinc/49/67/12/569496712.db2.gz	GGQVKOBJGQNUHL-AIIPKAINSA-N	0	0	440.455	5.086	50	30		IKEARN
O=C(/C=C/c1ccc(F)cc1)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009019335	569496910	/nfs/dbraw/zinc/49/69/10/569496910.db2.gz	GAOLPZLKIQWAIE-QDEBKDIKSA-N	0	0	425.799	5.503	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1	ZINC000009019320	569496929	/nfs/dbraw/zinc/49/69/29/569496929.db2.gz	FUBHKXHBINXWTC-JOCHJYFZSA-N	0	0	433.891	5.440	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009019404	569496937	/nfs/dbraw/zinc/49/69/37/569496937.db2.gz	WPKZLRUQCYVOOI-QHCPKHFHSA-N	0	0	445.515	5.364	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccc(Br)cc2)c1	ZINC000009031494	569497105	/nfs/dbraw/zinc/49/71/05/569497105.db2.gz	IHNXHIQAMLENNP-PKNBQFBNSA-N	0	0	443.318	5.635	50	30		IKEARN
Clc1ccc(CN=Nc2nc(-c3ccccc3Cl)nc3ccccc32)c(Cl)c1	ZINC000009034260	569497244	/nfs/dbraw/zinc/49/72/44/569497244.db2.gz	HBLQDBGVYGYQRM-BRJLIKDPSA-N	0	0	427.722	6.703	50	30		IKEARN
COc1cccc(C(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)c1	ZINC000009034239	569497259	/nfs/dbraw/zinc/49/72/59/569497259.db2.gz	DQMZDQOJGWJDFG-UHFFFAOYSA-N	0	0	428.435	5.623	50	30		IKEARN
Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1	ZINC000009041630	569497556	/nfs/dbraw/zinc/49/75/56/569497556.db2.gz	REQADNDMPFXOST-VULFUBBASA-N	0	0	442.320	5.987	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009043379	569497817	/nfs/dbraw/zinc/49/78/17/569497817.db2.gz	QNFJCCBMDFQFHQ-NRFANRHFSA-N	0	0	432.545	5.666	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCCC)cc2)cc1	ZINC000009046639	569498378	/nfs/dbraw/zinc/49/83/78/569498378.db2.gz	XDMYLYYKULHGBB-XCZPVHLTSA-N	0	0	440.543	6.283	50	30		IKEARN
N#Cc1c2c(c(-c3ccccc3)nc1SCc1ccc(Cl)cc1Cl)CCCC2	ZINC000009065456	569499649	/nfs/dbraw/zinc/49/96/49/569499649.db2.gz	IIHCNFULRIKKOW-UHFFFAOYSA-N	0	0	425.384	7.098	50	30		IKEARN
O=c1c2c(nc(N/N=C/c3ccncc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1	ZINC000009065931	569499856	/nfs/dbraw/zinc/49/98/56/569499856.db2.gz	KXGQOUITEBFROH-NDZAJKAJSA-N	0	0	447.542	5.108	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000009086400	569500642	/nfs/dbraw/zinc/50/06/42/569500642.db2.gz	OBKVRMXWDIVQAK-UHFFFAOYSA-N	0	0	432.854	6.267	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000009087293	569500846	/nfs/dbraw/zinc/50/08/46/569500846.db2.gz	RIZHIWRNUHMCIA-QHCPKHFHSA-N	0	0	447.918	5.830	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(N(C)C)cc2)cc1Cl	ZINC000009088964	569500899	/nfs/dbraw/zinc/50/08/99/569500899.db2.gz	HSNBXIRHSVPVTM-QHCPKHFHSA-N	0	0	446.934	5.497	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009109336	569501918	/nfs/dbraw/zinc/50/19/18/569501918.db2.gz	MKCLAPWUSSIDLX-XYOKQWHBSA-N	0	0	437.835	5.372	50	30		IKEARN
C[C@@H]1C/C(=C\c2ccc(Br)o2)C(=O)/C(=C\c2ccc(Br)o2)C1	ZINC000245294811	569502378	/nfs/dbraw/zinc/50/23/78/569502378.db2.gz	APRXJXKHNDDTQQ-YPSSQUIVSA-N	0	0	426.104	5.864	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2ccc(O)cc2)C1=O	ZINC000009113274	569502470	/nfs/dbraw/zinc/50/24/70/569502470.db2.gz	KFYQNHNBVNUTEK-SXGWCWSVSA-N	0	0	436.316	5.243	50	30		IKEARN
CCOc1ccc(/C=C2\C[C@H](C)C/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC	ZINC000245309125	569502538	/nfs/dbraw/zinc/50/25/38/569502538.db2.gz	BJDCCWRIZUGCMN-FEUMLFTPSA-N	0	0	436.548	5.967	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009123666	569504210	/nfs/dbraw/zinc/50/42/10/569504210.db2.gz	BSYQYOZIPXRRSY-OAQYLSRUSA-N	0	0	426.497	5.388	50	30		IKEARN
Cc1ccc(C[C@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	ZINC000009127134	569505098	/nfs/dbraw/zinc/50/50/98/569505098.db2.gz	FTXQUHLYBKMXMY-AUSIDOKSSA-N	0	0	449.599	5.489	50	30		IKEARN
Cc1ccc(C[C@@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	ZINC000009127135	569505115	/nfs/dbraw/zinc/50/51/15/569505115.db2.gz	FTXQUHLYBKMXMY-CVDCTZTESA-N	0	0	449.599	5.489	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc(F)c(Cl)c2)c1	ZINC000009127866	569505298	/nfs/dbraw/zinc/50/52/98/569505298.db2.gz	VPNBMJUFHLGZOQ-UHFFFAOYSA-N	0	0	439.899	5.334	50	30		IKEARN
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009152918	569507908	/nfs/dbraw/zinc/50/79/08/569507908.db2.gz	LWOYRPHWLYYKAS-FQEVSTJZSA-N	0	0	433.939	5.939	50	30		IKEARN
COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009152915	569507960	/nfs/dbraw/zinc/50/79/60/569507960.db2.gz	KBQUSGHVQXUMDC-JOCHJYFZSA-N	0	0	443.547	5.603	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1	ZINC000009159119	569508571	/nfs/dbraw/zinc/50/85/71/569508571.db2.gz	KIGURNGXGWPURC-MTJSOVHGSA-N	0	0	425.267	6.137	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009174371	569509598	/nfs/dbraw/zinc/50/95/98/569509598.db2.gz	WITXNGJCWMBPKR-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000009175110	569509720	/nfs/dbraw/zinc/50/97/20/569509720.db2.gz	ZSLQAZFYMCBOJZ-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccccc4Cl)nc3c12	ZINC000009184447	569509909	/nfs/dbraw/zinc/50/99/09/569509909.db2.gz	DMWPWSLVBIUDIU-RPPGKUMJSA-N	0	0	436.947	5.405	50	30		IKEARN
CC[C@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009196754	569510970	/nfs/dbraw/zinc/51/09/70/569510970.db2.gz	DDCGVESJPRQDSU-WCQPBMKCSA-N	0	0	430.577	5.150	50	30		IKEARN
C[C@@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000009199510	569511121	/nfs/dbraw/zinc/51/11/21/569511121.db2.gz	QFOAKMHXJAKBRU-MRXNPFEDSA-N	0	0	436.606	5.253	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1	ZINC000009215676	569511964	/nfs/dbraw/zinc/51/19/64/569511964.db2.gz	WPFQZLCDZWOGCW-AZGAKELHSA-N	0	0	430.935	6.456	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009243115	569514795	/nfs/dbraw/zinc/51/47/95/569514795.db2.gz	NXOUPXDCLRTMHD-NOTUDOMSSA-N	0	0	443.474	5.407	50	30		IKEARN
CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O	ZINC000009271996	569517826	/nfs/dbraw/zinc/51/78/26/569517826.db2.gz	FMMOZPPXADXNAA-FIPJQYBPSA-N	0	0	448.361	5.222	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1	ZINC000009272083	569517871	/nfs/dbraw/zinc/51/78/71/569517871.db2.gz	ZHQYSJCZMJRFFK-AFMDSPMNSA-N	0	0	440.568	6.059	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009271589	569517873	/nfs/dbraw/zinc/51/78/73/569517873.db2.gz	YBYAGDZELJVOKD-NRFANRHFSA-N	0	0	426.497	5.388	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000009272348	569517929	/nfs/dbraw/zinc/51/79/29/569517929.db2.gz	BFBQHFCODFMFJQ-HXUWFJFHSA-N	0	0	442.298	5.673	50	30		IKEARN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009272868	569518004	/nfs/dbraw/zinc/51/80/04/569518004.db2.gz	HJFUXBSXJKJLGI-QFIPXVFZSA-N	0	0	446.890	5.081	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000009272963	569518030	/nfs/dbraw/zinc/51/80/30/569518030.db2.gz	BNCHRZHHDKYFIN-JOCHJYFZSA-N	0	0	440.524	5.696	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009273020	569518056	/nfs/dbraw/zinc/51/80/56/569518056.db2.gz	ZMVXXGLRNXCNKH-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2cc(C)ccc2[nH]c1=O	ZINC000009292902	569520066	/nfs/dbraw/zinc/52/00/66/569520066.db2.gz	CZJCOVRUHFWGSY-CCVNUDIWSA-N	0	0	434.503	5.238	50	30		IKEARN
Oc1c(C=[NH+][N-]c2ncnc3scc(-c4ccccc4)c32)cc2c3c1CCCN3CCC2	ZINC000009293579	569520274	/nfs/dbraw/zinc/52/02/74/569520274.db2.gz	NSBBHYXZLSLVGW-XODNFHPESA-N	0	0	441.560	5.209	50	30		IKEARN
COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2C#N)C1=O	ZINC000009296202	569520385	/nfs/dbraw/zinc/52/03/85/569520385.db2.gz	LJKOXWJRENCPTK-UCQKPKSFSA-N	0	0	442.496	5.387	50	30		IKEARN
CCCc1cc(SCc2ccc(Cl)cc2Cl)n2c3ccccc3nc2c1C#N	ZINC000009307170	569521405	/nfs/dbraw/zinc/52/14/05/569521405.db2.gz	GELZSBPLSVWPHG-UHFFFAOYSA-N	0	0	426.372	6.911	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2ccc(OC)cc2)n2c3ccccc3nc2c1C#N	ZINC000009308487	569521517	/nfs/dbraw/zinc/52/15/17/569521517.db2.gz	JELQMTMAMFNCQN-UHFFFAOYSA-N	0	0	430.533	5.051	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000009333839	569523132	/nfs/dbraw/zinc/52/31/32/569523132.db2.gz	DTIKOKWTKCGQDW-OAQYLSRUSA-N	0	0	446.572	5.840	50	30		IKEARN
CCOc1ccc2nc(-c3ccc(NCC(=O)Nc4ccccc4C#N)cc3)sc2c1	ZINC000009338592	569523671	/nfs/dbraw/zinc/52/36/71/569523671.db2.gz	WRWGYMSWNAPRRK-UHFFFAOYSA-N	0	0	428.517	5.284	50	30		IKEARN
COc1cc(C(=O)N=C2Nc3ccccc3N=C(C)[C@H]2c2ccccc2)cc(OC)c1OC	ZINC000009340100	569523768	/nfs/dbraw/zinc/52/37/68/569523768.db2.gz	XAXXPBMVXIXMNA-QHCPKHFHSA-N	0	0	443.503	5.253	50	30		IKEARN
COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1	ZINC000009344881	569524080	/nfs/dbraw/zinc/52/40/80/569524080.db2.gz	XMHJAHMAVCZNBK-NXUGVVLJSA-N	0	0	449.580	5.049	50	30		IKEARN
CC(=O)N(/C=C1\Sc2ccccc2C1=O)c1ccccc1-c1nc2ccccc2c(=O)o1	ZINC000009346040	569524208	/nfs/dbraw/zinc/52/42/08/569524208.db2.gz	RDTIVKSZESGQRP-HMAPJEAMSA-N	0	0	440.480	5.038	50	30		IKEARN
CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@H]1c1ccccc1	ZINC000009348035	569524385	/nfs/dbraw/zinc/52/43/85/569524385.db2.gz	FMFNUCYYKLIUEQ-QHCPKHFHSA-N	0	0	448.482	5.037	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(C(F)(F)F)cc1	ZINC000009348919	569524605	/nfs/dbraw/zinc/52/46/05/569524605.db2.gz	QYLQTRKLPHWKAH-SFHVURJKSA-N	0	0	425.410	5.161	50	30		IKEARN
N#Cc1cc(C(=O)c2cccs2)c(C(F)(F)F)nc1SCC(=O)c1ccccc1	ZINC000009355628	569525271	/nfs/dbraw/zinc/52/52/71/569525271.db2.gz	YJHYWQIRYRHFFX-UHFFFAOYSA-N	0	0	432.448	5.240	50	30		IKEARN
CCCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1	ZINC000009358290	569525618	/nfs/dbraw/zinc/52/56/18/569525618.db2.gz	WYVIQTDQUKLAOC-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1	ZINC000009359088	569525660	/nfs/dbraw/zinc/52/56/60/569525660.db2.gz	NFUIYLGWKYQGAO-IRLDBZIGSA-N	0	0	439.939	5.221	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009363615	569525965	/nfs/dbraw/zinc/52/59/65/569525965.db2.gz	YWRNAGSEERWSRA-JOCHJYFZSA-N	0	0	449.934	6.009	50	30		IKEARN
C=CCn1c(Sc2nc(-c3cccnc3)nc3ccccc32)nnc1C1CCCCC1	ZINC000009377139	569527426	/nfs/dbraw/zinc/52/74/26/569527426.db2.gz	QAPBMFCIOZBBPZ-UHFFFAOYSA-N	0	0	428.565	5.668	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000009379859	569527778	/nfs/dbraw/zinc/52/77/78/569527778.db2.gz	ALMHUHLBSFVWIG-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000009380130	569527796	/nfs/dbraw/zinc/52/77/96/569527796.db2.gz	XCUAWQHGEKFLGL-JOCHJYFZSA-N	0	0	431.875	5.326	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000009379962	569527836	/nfs/dbraw/zinc/52/78/36/569527836.db2.gz	JANGBGBWWOSSEW-IBGZPJMESA-N	0	0	428.271	5.365	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000009380537	569527856	/nfs/dbraw/zinc/52/78/56/569527856.db2.gz	STGLCLJCVUQQJK-FQEVSTJZSA-N	0	0	440.337	5.337	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000009380304	569527888	/nfs/dbraw/zinc/52/78/88/569527888.db2.gz	YKUIWDOCWKLGNG-MMTVBGGISA-N	0	0	440.562	7.103	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000009380470	569527906	/nfs/dbraw/zinc/52/79/06/569527906.db2.gz	BFKTYGRUIHVHPY-XMMPIXPASA-N	0	0	445.946	6.555	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000009380552	569527950	/nfs/dbraw/zinc/52/79/50/569527950.db2.gz	RWXQMXUNKHPHCM-OAQYLSRUSA-N	0	0	448.316	5.540	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000009380687	569527985	/nfs/dbraw/zinc/52/79/85/569527985.db2.gz	JNEQRSUNGPWPNL-QFIPXVFZSA-N	0	0	433.891	5.440	50	30		IKEARN
N#CC(=NNc1cc(C(F)(F)F)ccc1Cl)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000009404404	569529663	/nfs/dbraw/zinc/52/96/63/569529663.db2.gz	KFIXSVKNQLZXBG-JFLMPSFJSA-N	0	0	441.265	6.475	50	30		IKEARN
C=CCn1c2ccccc2c2nnc(SCCCC(=O)c3ccc(C(C)(C)C)cc3)nc21	ZINC000009408838	569530701	/nfs/dbraw/zinc/53/07/01/569530701.db2.gz	DVVFRKHOZRRVAG-UHFFFAOYSA-N	0	0	444.604	6.218	50	30		IKEARN
C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1	ZINC000009410252	569531310	/nfs/dbraw/zinc/53/13/10/569531310.db2.gz	QTUVQJSRVSPSKJ-UHFFFAOYSA-N	0	0	435.833	5.726	50	30		IKEARN
O=c1c2c(nc(N/N=C/c3ccccc3)n1-c1ccccc1)-c1ccccc1CC21CCCC1	ZINC000009410623	569531369	/nfs/dbraw/zinc/53/13/69/569531369.db2.gz	DACJFTBFSSAZPH-TWKHWXDSSA-N	0	0	446.554	5.713	50	30		IKEARN
C=CCn1c2ccccc2nc1SCc1csc(CC(=O)Nc2ccc(C)cc2)n1	ZINC000009414082	569531959	/nfs/dbraw/zinc/53/19/59/569531959.db2.gz	KQCDKNQGNPKNKA-UHFFFAOYSA-N	0	0	434.590	5.461	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc2C#N)cc1	ZINC000009419714	569532614	/nfs/dbraw/zinc/53/26/14/569532614.db2.gz	RYXSNKQZXKZPBH-UHFFFAOYSA-N	0	0	446.475	5.548	50	30		IKEARN
COc1cc(OC)cc(C(=O)/C(=C\c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)c1	ZINC000009420538	569532631	/nfs/dbraw/zinc/53/26/31/569532631.db2.gz	NJGQVLWVLVSSBB-CPNJWEJPSA-N	0	0	430.416	5.177	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2O/C1=C\c1c(F)cccc1Cl	ZINC000009420258	569532668	/nfs/dbraw/zinc/53/26/68/569532668.db2.gz	JWJKFFLWSJNNSQ-JAIQZWGSSA-N	0	0	448.830	5.002	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4F)c3C)C2=O)c2ccccc21	ZINC000009421935	569532828	/nfs/dbraw/zinc/53/28/28/569532828.db2.gz	WKKKPHVCKBADSO-ZVHZXABRSA-N	0	0	441.458	5.944	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4F)ccc3C2=O)c2ccccc21	ZINC000009422684	569532897	/nfs/dbraw/zinc/53/28/97/569532897.db2.gz	UREXVPYNLFKIIK-ZMOGYAJESA-N	0	0	427.431	5.636	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21	ZINC000009422462	569532900	/nfs/dbraw/zinc/53/29/00/569532900.db2.gz	DYAJMHFFXWIEHA-VULFUBBASA-N	0	0	425.484	5.865	50	30		IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1	ZINC000009422871	569532917	/nfs/dbraw/zinc/53/29/17/569532917.db2.gz	ATICBBYZAXWNOL-ZVHZXABRSA-N	0	0	439.467	5.331	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc(SCc3ccc(C#N)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000009423332	569532967	/nfs/dbraw/zinc/53/29/67/569532967.db2.gz	DXFFEHIMWOHUBZ-INIZCTEOSA-N	0	0	429.511	6.287	50	30		IKEARN
N#Cc1c(SCC(=O)NC2CCCCC2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000009423976	569533000	/nfs/dbraw/zinc/53/30/00/569533000.db2.gz	TYKZIUAEHDGGMJ-UHFFFAOYSA-N	0	0	425.501	5.242	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C	ZINC000009423644	569533022	/nfs/dbraw/zinc/53/30/22/569533022.db2.gz	RNZYUJBZGAKCMM-BRJLIKDPSA-N	0	0	443.474	5.830	50	30		IKEARN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000009424259	569533095	/nfs/dbraw/zinc/53/30/95/569533095.db2.gz	UUMOJUBWCNJEIZ-JLCFBVMHSA-N	0	0	449.890	5.035	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O	ZINC000009424823	569533142	/nfs/dbraw/zinc/53/31/42/569533142.db2.gz	FFUJAZBXOGCWLY-WCQPBMKCSA-N	0	0	431.561	5.483	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc32)cc1OC	ZINC000009427571	569533351	/nfs/dbraw/zinc/53/33/51/569533351.db2.gz	AJVXZQZIZXKFAP-JVWAILMASA-N	0	0	442.519	5.547	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1	ZINC000009433263	569534555	/nfs/dbraw/zinc/53/45/55/569534555.db2.gz	ZPNSYCMRUOZQQI-DHIUTWEWSA-N	0	0	429.545	5.195	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@H]1c1cccs1	ZINC000009433265	569534577	/nfs/dbraw/zinc/53/45/77/569534577.db2.gz	ZPNSYCMRUOZQQI-XZOQPEGZSA-N	0	0	429.545	5.195	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009433836	569534616	/nfs/dbraw/zinc/53/46/16/569534616.db2.gz	YQOXTSAJEXQPOE-QHCPKHFHSA-N	0	0	447.462	5.016	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009433843	569534662	/nfs/dbraw/zinc/53/46/62/569534662.db2.gz	QTVOMAAFYBSOLN-JOCHJYFZSA-N	0	0	446.459	5.090	50	30		IKEARN
COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O	ZINC000009433982	569534693	/nfs/dbraw/zinc/53/46/93/569534693.db2.gz	QSUKHSAPCDIWRD-VWLOTQADSA-N	0	0	429.497	5.487	50	30		IKEARN
COc1ccc(-c2oc(NC(=O)Cc3ccccc3)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000009434550	569534699	/nfs/dbraw/zinc/53/46/99/569534699.db2.gz	BQNRXKCEVAXBMZ-UHFFFAOYSA-N	0	0	438.483	5.684	50	30		IKEARN
C=CCn1c2ccccc2nc1NCc1cc(Br)cc(Br)c1O	ZINC000009435211	569534792	/nfs/dbraw/zinc/53/47/92/569534792.db2.gz	KLBBBOFJNKBLAW-UHFFFAOYSA-N	0	0	437.135	5.065	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12	ZINC000009435372	569534806	/nfs/dbraw/zinc/53/48/06/569534806.db2.gz	VXSONIWLWGALGC-RPPGKUMJSA-N	0	0	436.947	5.405	50	30		IKEARN
CCc1cccc(CC)c1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000009443064	569535683	/nfs/dbraw/zinc/53/56/83/569535683.db2.gz	RVLOVHDYKWXUDP-UHFFFAOYSA-N	0	0	428.561	5.523	50	30		IKEARN
CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCc4ccccc4)nnc3c2CO1	ZINC000009446651	569535945	/nfs/dbraw/zinc/53/59/45/569535945.db2.gz	CBOLXXKLUTYYHU-UHFFFAOYSA-N	0	0	441.560	5.488	50	30		IKEARN
CSc1nnc(CCCNC(=O)c2ccccc2-c2ccccc2C#N)n1C1CCCC1	ZINC000009454707	569536665	/nfs/dbraw/zinc/53/66/65/569536665.db2.gz	KUYYQYQYUUCLCX-UHFFFAOYSA-N	0	0	445.592	5.016	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O	ZINC000009462663	569537293	/nfs/dbraw/zinc/53/72/93/569537293.db2.gz	QPSMUHWMGMTHMJ-MLKPGFSBSA-N	0	0	429.589	6.173	50	30		IKEARN
CCc1cc(S[C@H](C)c2nnc(-c3ccccc3)o2)n2c3ccccc3nc2c1C#N	ZINC000009468624	569538662	/nfs/dbraw/zinc/53/86/62/569538662.db2.gz	GISRTWMRYGBLRX-OAHLLOKOSA-N	0	0	425.517	5.825	50	30		IKEARN
O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2	ZINC000009476831	569539085	/nfs/dbraw/zinc/53/90/85/569539085.db2.gz	YGYWXFZFWTVZJZ-UVSJPBNCSA-N	0	0	446.886	5.915	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009480224	569539396	/nfs/dbraw/zinc/53/93/96/569539396.db2.gz	VXFFBEAWRRNHIE-UHFFFAOYSA-N	0	0	434.609	5.776	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1	ZINC000009494402	569540903	/nfs/dbraw/zinc/54/09/03/569540903.db2.gz	PDRVXBFJQMIYBD-SFHVURJKSA-N	0	0	443.638	5.479	50	30		IKEARN
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc32)cc1Cl	ZINC000009508065	569542209	/nfs/dbraw/zinc/54/22/09/569542209.db2.gz	GXXWXUREHHRUHR-UHFFFAOYSA-N	0	0	448.910	5.692	50	30		IKEARN
N#Cc1ccc(-n2c(SCCCC(=O)c3cccs3)nc3ccccc3c2=O)cc1	ZINC000009512111	569542900	/nfs/dbraw/zinc/54/29/00/569542900.db2.gz	IVVBXIDHIOKSDV-UHFFFAOYSA-N	0	0	431.542	5.074	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1	ZINC000009517106	569543559	/nfs/dbraw/zinc/54/35/59/569543559.db2.gz	WRZKECVQFDUESC-UHFFFAOYSA-N	0	0	442.540	6.144	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000009530891	569545086	/nfs/dbraw/zinc/54/50/86/569545086.db2.gz	PUNJQDNEQDEVMZ-LHSJRXKWSA-N	0	0	425.315	6.248	50	30		IKEARN
C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1	ZINC000009548939	569546581	/nfs/dbraw/zinc/54/65/81/569546581.db2.gz	XCMFLYGVLPHBDZ-JOCHJYFZSA-N	0	0	444.535	5.742	50	30		IKEARN
COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O	ZINC000009553427	569546720	/nfs/dbraw/zinc/54/67/20/569546720.db2.gz	SAVWUDZQPJJYQN-SANMLTNESA-N	0	0	440.499	5.222	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(Cl)cc2)nc(-c2cccs2)c2c1CCCC2	ZINC000009554222	569546791	/nfs/dbraw/zinc/54/67/91/569546791.db2.gz	QQFAKSFIHZRQPD-UHFFFAOYSA-N	0	0	439.993	5.945	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1c(Cl)cccc1Cl	ZINC000009577482	569548245	/nfs/dbraw/zinc/54/82/45/569548245.db2.gz	GPQRKZJRYOKPNK-NDENLUEZSA-N	0	0	447.295	5.377	50	30		IKEARN
C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@@H]1COc2ccccc2O1	ZINC000009578519	569548345	/nfs/dbraw/zinc/54/83/45/569548345.db2.gz	SWKGAJHBMAUKTG-NRFANRHFSA-N	0	0	447.516	5.006	50	30		IKEARN
N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1	ZINC000009585957	569549609	/nfs/dbraw/zinc/54/96/09/569549609.db2.gz	UTBKBMBWSUQOAN-UHFFFAOYSA-N	0	0	445.935	5.190	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@@H](c3ccccc3Cl)C12	ZINC000009597402	569550962	/nfs/dbraw/zinc/55/09/62/569550962.db2.gz	YJIAKZCIYDVBLB-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
CC(=[NH+]Cc1ccc(F)cc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1-c1ccccc1	ZINC000009635837	569554652	/nfs/dbraw/zinc/55/46/52/569554652.db2.gz	HGMLPDPARCTNCY-JVWAILMASA-N	0	0	442.519	5.591	50	30		IKEARN
C=CCNC(=S)N/N=C/c1cn(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12	ZINC000009635934	569554665	/nfs/dbraw/zinc/55/46/65/569554665.db2.gz	OVSHEMLXHIQVNM-WPWMEQJKSA-N	0	0	434.609	5.002	50	30		IKEARN
CCOc1ccc(-c2nc3n(n2)[C@H](c2ccc(OC)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731815	569564703	/nfs/dbraw/zinc/56/47/03/569564703.db2.gz	ONSIDAQBKWUIQJ-HSZRJFAPSA-N	0	0	444.535	5.011	50	30		IKEARN
CCOc1ccc(-c2nc3n(n2)[C@@H](c2ccc(OC)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731816	569564711	/nfs/dbraw/zinc/56/47/11/569564711.db2.gz	ONSIDAQBKWUIQJ-QHCPKHFHSA-N	0	0	444.535	5.011	50	30		IKEARN
N#CCSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1C1CCCCC1	ZINC000009775501	569567003	/nfs/dbraw/zinc/56/70/03/569567003.db2.gz	RWPSYRNHTNIVFO-UHFFFAOYSA-N	0	0	442.635	5.353	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SC(c1ccccc1)c1ccccc1)CCCC3	ZINC000009779238	569567406	/nfs/dbraw/zinc/56/74/06/569567406.db2.gz	ONFJZZGFYLCNGL-UHFFFAOYSA-N	0	0	444.625	6.405	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1	ZINC000009790734	569568210	/nfs/dbraw/zinc/56/82/10/569568210.db2.gz	XLXWZEPFJNLZEQ-AWEZNQCLSA-N	0	0	431.920	5.199	50	30		IKEARN
Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)c(C#N)c(C)c1C	ZINC000009794515	569568406	/nfs/dbraw/zinc/56/84/06/569568406.db2.gz	MONHPYVQMOUKCO-SFHVURJKSA-N	0	0	436.562	5.003	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3ccccc3F)C12	ZINC000009856574	569571599	/nfs/dbraw/zinc/57/15/99/569571599.db2.gz	PHBJNRDSUUILQZ-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(Cl)c4)nn32)cc1	ZINC000009856496	569571615	/nfs/dbraw/zinc/57/16/15/569571615.db2.gz	JOFRKQLKNDNFEO-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3ccccc3F)C12	ZINC000009856569	569571623	/nfs/dbraw/zinc/57/16/23/569571623.db2.gz	RMZBRMGTRPFGKU-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1	ZINC000009856498	569571624	/nfs/dbraw/zinc/57/16/24/569571624.db2.gz	ADNDRQUZAXNHGK-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccc4Cl)nn32)cc1	ZINC000009856499	569571627	/nfs/dbraw/zinc/57/16/27/569571627.db2.gz	ADNDRQUZAXNHGK-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861340	569572025	/nfs/dbraw/zinc/57/20/25/569572025.db2.gz	YWXRZJRAAOSIAX-HSZRJFAPSA-N	0	0	429.347	6.300	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2ncnc3sccc32)c1C#N	ZINC000009866593	569572239	/nfs/dbraw/zinc/57/22/39/569572239.db2.gz	OTHBLQLWCRSKAI-UHFFFAOYSA-N	0	0	425.583	5.217	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)S2)cc1C	ZINC000009907459	569573145	/nfs/dbraw/zinc/57/31/45/569573145.db2.gz	XNOKXFABQVUTMD-KGENOOAVSA-N	0	0	436.537	5.094	50	30		IKEARN
CCOC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCC3)cc1	ZINC000009907617	569573200	/nfs/dbraw/zinc/57/32/00/569573200.db2.gz	SXBOSDDPMOKAMX-VULFUBBASA-N	0	0	436.508	5.556	50	30		IKEARN
COc1ccc(C2=NN([C@@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1	ZINC000009933307	569573743	/nfs/dbraw/zinc/57/37/43/569573743.db2.gz	NJYDEZOSBWRDCZ-RPWUZVMVSA-N	0	0	446.348	5.874	50	30		IKEARN
CC(C)c1ccc(-c2c3c(nc(SCC(=O)Nc4ccccc4)c2C#N)CCC3)cc1	ZINC000009968633	569575926	/nfs/dbraw/zinc/57/59/26/569575926.db2.gz	OCSVRSQSNVXWFK-UHFFFAOYSA-N	0	0	427.573	5.963	50	30		IKEARN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccccc2)cc1Cl	ZINC000009969589	569576087	/nfs/dbraw/zinc/57/60/87/569576087.db2.gz	VNIBCCUKEMSFMR-OAQYLSRUSA-N	0	0	437.879	5.110	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009969606	569576104	/nfs/dbraw/zinc/57/61/04/569576104.db2.gz	DHZZBLSWDRXUME-HSZRJFAPSA-N	0	0	443.455	5.203	50	30		IKEARN
COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1	ZINC000009971261	569576285	/nfs/dbraw/zinc/57/62/85/569576285.db2.gz	HUYXGJWAGCRFOS-UZSLGNBGSA-N	0	0	426.516	6.241	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1C1CCCCC1	ZINC000009983872	569576613	/nfs/dbraw/zinc/57/66/13/569576613.db2.gz	ZTELNEOZMWRTBY-UHFFFAOYSA-N	0	0	449.418	5.314	50	30		IKEARN
CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1sc2c(c1C#N)CCCC2	ZINC000009971561	569576316	/nfs/dbraw/zinc/57/63/16/569576316.db2.gz	NXLFEMSJJVDVJP-GOSISDBHSA-N	0	0	438.578	5.018	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013695	569577098	/nfs/dbraw/zinc/57/70/98/569577098.db2.gz	WYWPCRNZUDUEQG-DEOSSOPVSA-N	0	0	432.539	5.631	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013569	569577107	/nfs/dbraw/zinc/57/71/07/569577107.db2.gz	IMHRVJQTZDTWAW-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccccc3)c2C)nnc1-c1ccoc1C	ZINC000010021851	569577235	/nfs/dbraw/zinc/57/72/35/569577235.db2.gz	OLHSGHXMHJHEIK-UHFFFAOYSA-N	0	0	446.576	5.474	50	30		IKEARN
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC(C(=O)Nc2ccccc2)CC1	ZINC000010083084	569577716	/nfs/dbraw/zinc/57/77/16/569577716.db2.gz	VXAJQVICSBSNIB-UHFFFAOYSA-N	0	0	437.927	5.454	50	30		IKEARN
Cc1cc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1	ZINC000010201668	569578951	/nfs/dbraw/zinc/57/89/51/569578951.db2.gz	LCEKOKZRQRRBJG-SNVBAGLBSA-N	0	0	438.456	5.116	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)Nc1c(Cl)cc(Cl)cc1Cl	ZINC000010237911	569579689	/nfs/dbraw/zinc/57/96/89/569579689.db2.gz	DTXROJRAKAGJKG-UHFFFAOYSA-N	0	0	426.756	5.913	50	30		IKEARN
N#CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	ZINC000020042300	569587032	/nfs/dbraw/zinc/58/70/32/569587032.db2.gz	SZVPCFOASTVRSZ-UHFFFAOYSA-N	0	0	437.528	5.002	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C	ZINC000027527980	122575671	/nfs/dbraw/zinc/57/56/71/122575671.db2.gz	BAQGGTWHWFIMHJ-AGGBOBLOSA-N	0	0	428.557	5.676	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(O)cc1	ZINC000000985525	291397735	/nfs/dbraw/zinc/39/77/35/291397735.db2.gz	KUNGZANNQKGWNF-UHFFFAOYSA-N	0	0	441.571	6.282	50	30	biogenic,in-vitro	IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2	ZINC000000631008	193863845	/nfs/dbraw/zinc/86/38/45/193863845.db2.gz	GVFVTHRQZMBLLI-DXPJPUQTSA-N	0	0	444.918	6.048	50	30		IKEARN
CCOc1ccc2nc3sc(C(=O)Nc4sc5c(c4C#N)CCCC5)c(N)c3cc2c1	ZINC000006134262	193880041	/nfs/dbraw/zinc/88/00/41/193880041.db2.gz	USDKUDZYCXPHNL-UHFFFAOYSA-N	0	0	448.573	5.495	50	30		IKEARN
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1	ZINC000006177752	193888450	/nfs/dbraw/zinc/88/84/50/193888450.db2.gz	QAVGOCZZKVGYNY-JHMRYYBSSA-N	0	0	437.531	5.094	50	30		IKEARN
COc1ccc(-c2cc(C3CC3)nc(SCC(=O)Nc3ccccc3Cl)c2C#N)cc1	ZINC000006181822	193888861	/nfs/dbraw/zinc/88/88/61/193888861.db2.gz	PAHXADINDJNJJY-UHFFFAOYSA-N	0	0	449.963	5.890	50	30		IKEARN
Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)o1	ZINC000008614961	132288680	/nfs/dbraw/zinc/28/86/80/132288680.db2.gz	IFMHVLPNIQKVAR-UHFFFAOYSA-N	0	0	440.503	5.020	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccc(Cl)cc31)CCC2	ZINC000008856114	132296381	/nfs/dbraw/zinc/29/63/81/132296381.db2.gz	ZENWZDSYMPICQH-UHFFFAOYSA-N	0	0	449.988	6.017	50	30		IKEARN
Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)cc(-c3ccccc3)c2c1	ZINC000009335071	518218370	/nfs/dbraw/zinc/21/83/70/518218370.db2.gz	BYLVTWNOBYXDAI-JFLMPSFJSA-N	0	0	441.332	6.592	50	30		IKEARN
C#CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C	ZINC000002093929	518315631	/nfs/dbraw/zinc/31/56/31/518315631.db2.gz	JNRVMJGWQKYZGA-UHFFFAOYSA-N	0	0	443.566	5.798	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC	ZINC000009295938	518317028	/nfs/dbraw/zinc/31/70/28/518317028.db2.gz	ONLPZLXFPNNZMR-BOPFTXTBSA-N	0	0	434.300	5.255	50	30		IKEARN
C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1	ZINC000012342942	518455140	/nfs/dbraw/zinc/45/51/40/518455140.db2.gz	WLRGDZXANHXURB-QRQIAZFYSA-N	0	0	441.512	5.926	50	30		IKEARN
C/C(=N/OCc1ccccc1C#N)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843462	518457817	/nfs/dbraw/zinc/45/78/17/518457817.db2.gz	HLNPWUWOEAAEOC-GTWSWNCMSA-N	0	0	437.518	6.713	50	30		IKEARN
C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843460	518457918	/nfs/dbraw/zinc/45/79/18/518457918.db2.gz	OMHJHUJPRHIDOT-OFWBYEQRSA-N	0	0	426.535	7.149	50	30		IKEARN
C/C(=N\Nc1c(Cl)cncc1Cl)c1cc2cc(Br)ccc2oc1=O	ZINC000012343288	518463836	/nfs/dbraw/zinc/46/38/36/518463836.db2.gz	FUPDQRULPJWESU-ODCIPOBUSA-N	0	0	427.085	5.093	50	30		IKEARN
C/C(=N\NC(=S)NC(C)(C)C)c1sc(-c2ncc(C(F)(F)F)cc2Cl)nc1C	ZINC000012369895	518464099	/nfs/dbraw/zinc/46/40/99/518464099.db2.gz	DFVMWRWYXNWUGH-YCPBAFNGSA-N	0	0	449.955	5.172	50	30		IKEARN
CC(N=Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccc(OCc2ccccc2)cc1	ZINC000013893634	518466558	/nfs/dbraw/zinc/46/65/58/518466558.db2.gz	HPAOCGFJUZYEFB-YZSQISJMSA-N	0	0	444.516	6.133	50	30		IKEARN
C/C(=N\Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3)c1ccccc1	ZINC000012650709	518469057	/nfs/dbraw/zinc/46/90/57/518469057.db2.gz	BAZSWVFNELLLQD-JVWAILMASA-N	0	0	444.560	5.135	50	30		IKEARN
C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1	ZINC000013564406	518584648	/nfs/dbraw/zinc/58/46/48/518584648.db2.gz	FYGNZWIUSAWRQA-RRPNLBNLSA-N	0	0	439.555	5.041	50	30		IKEARN
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21	ZINC000035895320	518595637	/nfs/dbraw/zinc/59/56/37/518595637.db2.gz	SDLIEYULIJAVBE-KKUQBAQOSA-N	0	0	431.539	5.982	50	30		IKEARN
C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3ccc4[nH]ccc4c3)c(C)c2cc1Cl	ZINC000009134513	518612093	/nfs/dbraw/zinc/61/20/93/518612093.db2.gz	NHCGUXIIHOFNOL-UHFFFAOYSA-N	0	0	436.895	5.372	50	30		IKEARN
C=C(C)COc1ccc(-c2nc(N)nc(C(F)(F)F)c2-c2ccc(OC)cc2)c(O)c1	ZINC000012475098	518613516	/nfs/dbraw/zinc/61/35/16/518613516.db2.gz	KEIPVPAPVZOVCH-UHFFFAOYSA-N	0	0	431.414	5.081	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3)c2c1	ZINC000011866444	518616540	/nfs/dbraw/zinc/61/65/40/518616540.db2.gz	BCEACQWQOXGUAK-UHFFFAOYSA-N	0	0	427.500	6.624	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1C1CCCCC1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002294371	518624515	/nfs/dbraw/zinc/62/45/15/518624515.db2.gz	OGBCOTWFFJMYAK-UHFFFAOYSA-N	0	0	434.649	6.842	50	30	biogenic	IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3	ZINC000002183461	518625014	/nfs/dbraw/zinc/62/50/14/518625014.db2.gz	YAMQBWHQAPQMQQ-SFHVURJKSA-N	0	0	438.662	6.326	50	30		IKEARN
C=C(C)CSc1nnc(SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)s1	ZINC000039976025	518626495	/nfs/dbraw/zinc/62/64/95/518626495.db2.gz	ARYUMAQZFJAVMX-IBGZPJMESA-N	0	0	441.647	5.399	50	30		IKEARN
C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5	ZINC000001241886	518626508	/nfs/dbraw/zinc/62/65/08/518626508.db2.gz	DXFNYLFUTDNYGX-UHFFFAOYSA-N	0	0	429.574	5.711	50	30		IKEARN
C=C(C)CSc1nnc2n1c(=O)c1c(n2CC(=C)C)-c2ccccc2CC12CCCCC2	ZINC000002372018	518626743	/nfs/dbraw/zinc/62/67/43/518626743.db2.gz	QNYRSILYQOEEJU-UHFFFAOYSA-N	0	0	446.620	5.560	50	30		IKEARN
C=C(C)CSc1nnc2n1-c1nnc(SCC(=C)C)n1-c1sc3c(c1-2)CCCC3	ZINC000001247263	518627044	/nfs/dbraw/zinc/62/70/44/518627044.db2.gz	YCIZGKXWFYFWCC-UHFFFAOYSA-N	0	0	442.639	5.105	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]43C)[C@@H]12	ZINC000254397364	518645240	/nfs/dbraw/zinc/64/52/40/518645240.db2.gz	FVWJYYTZTCVBKE-YLGWIKJRSA-N	0	0	442.728	6.997	50	30		IKEARN
C=CC=C(SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1	ZINC000009317454	518656206	/nfs/dbraw/zinc/65/62/06/518656206.db2.gz	DIAHCWJBJROACT-MFOYZWKCSA-N	0	0	428.604	5.158	50	30		IKEARN
C=C1[C@@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000013304914	518667558	/nfs/dbraw/zinc/66/75/58/518667558.db2.gz	RVFAOPJSTKZSIX-HZPDHXFCSA-N	0	0	430.118	5.680	50	30		IKEARN
C=C1[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@H]1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000001462545	518668391	/nfs/dbraw/zinc/66/83/91/518668391.db2.gz	RVFAOPJSTKZSIX-HOTGVXAUSA-N	0	0	430.118	5.680	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@H]2CCCO2)o1	ZINC000036203566	518698913	/nfs/dbraw/zinc/69/89/13/518698913.db2.gz	AZNSZVCTZFAKBK-OAQYLSRUSA-N	0	0	429.626	5.951	50	30		IKEARN
C=CCN(C(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1	ZINC000015608256	518733969	/nfs/dbraw/zinc/73/39/69/518733969.db2.gz	SCIBXCQJYQFECW-HSZRJFAPSA-N	0	0	429.545	5.293	50	30		IKEARN
C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1	ZINC000009433154	518737101	/nfs/dbraw/zinc/73/71/01/518737101.db2.gz	SNTCFGIOXNQWRE-DQEYMECFSA-N	0	0	444.600	5.904	50	30		IKEARN
C=CCN(C(=O)c1c2c(nc3ccccc31)C(=O)N(C1CCCCC1)C2)c1ccccc1	ZINC000021915227	518737448	/nfs/dbraw/zinc/73/74/48/518737448.db2.gz	KAUJGOVAGVZLPR-UHFFFAOYSA-N	0	0	425.532	5.356	50	30		IKEARN
C=CCN(C(=O)c1cccc(OC(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	ZINC000012821867	518739138	/nfs/dbraw/zinc/73/91/38/518739138.db2.gz	QSXWDTAAZFVDCU-UHFFFAOYSA-N	0	0	431.420	5.153	50	30		IKEARN
C=CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc(-c2ccccc2)cs1	ZINC000019203892	518740247	/nfs/dbraw/zinc/74/02/47/518740247.db2.gz	WLKMAFQAZYVFNM-UHFFFAOYSA-N	0	0	433.558	5.775	50	30		IKEARN
C=CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2c(s1)CCCC2	ZINC000032719087	518740712	/nfs/dbraw/zinc/74/07/12/518740712.db2.gz	JCBKAUBUFJAXIA-UHFFFAOYSA-N	0	0	440.594	5.147	50	30		IKEARN
C=CCN(CC=C)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)cc1	ZINC000013138349	518765409	/nfs/dbraw/zinc/76/54/09/518765409.db2.gz	LAFGWQRWZGBUCE-UHFFFAOYSA-N	0	0	438.984	5.189	50	30		IKEARN
C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)Nc1ccc(C)cc1	ZINC000036115090	518796022	/nfs/dbraw/zinc/79/60/22/518796022.db2.gz	FBFAAOJVLVHWLU-UHFFFAOYSA-N	0	0	435.593	6.374	50	30		IKEARN
C=CCN(Cc1csc(COc2cccc(C)c2C)n1)C(=O)c1ccc(Cl)cc1	ZINC000036031730	518796728	/nfs/dbraw/zinc/79/67/28/518796728.db2.gz	UYPXNJHWRLFXGN-UHFFFAOYSA-N	0	0	426.969	5.821	50	30		IKEARN
C=CCN(Cc1nccn1Cc1ccc(Cl)c(Cl)c1)C(=O)c1cccc(OC)c1	ZINC000035979831	518801825	/nfs/dbraw/zinc/80/18/25/518801825.db2.gz	ZRYKPVCICUEQHU-UHFFFAOYSA-N	0	0	430.335	5.075	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2ccccc2C)ccc1Cl	ZINC000012891976	518816651	/nfs/dbraw/zinc/81/66/51/518816651.db2.gz	REMBHUYNBJALCE-UHFFFAOYSA-N	0	0	440.952	5.282	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S	ZINC000019798302	518824401	/nfs/dbraw/zinc/82/44/01/518824401.db2.gz	SDJHHVOKJHTZSI-WQRHYEAKSA-N	0	0	449.956	5.454	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	ZINC000013809710	518831959	/nfs/dbraw/zinc/83/19/59/518831959.db2.gz	GDVIPIGFMFXACN-CPNJWEJPSA-N	0	0	435.526	5.348	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccccc3Cl)c2)SC1=S	ZINC000012343719	518833586	/nfs/dbraw/zinc/83/35/86/518833586.db2.gz	OOTZKPQJCFBXAU-HMMYKYKNSA-N	0	0	445.993	5.575	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1	ZINC000019800819	518847724	/nfs/dbraw/zinc/84/77/24/518847724.db2.gz	QEDZPCJTDQBXSY-SUPWZFAMSA-N	0	0	449.473	5.297	50	30		IKEARN
C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Br)cc1	ZINC000027489096	518853268	/nfs/dbraw/zinc/85/32/68/518853268.db2.gz	KYCLETROIHSORM-XMMPIXPASA-N	0	0	443.344	6.329	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3cccc4ccccc43)cc2-c2ccccc2S1(=O)=O	ZINC000033271894	518875949	/nfs/dbraw/zinc/87/59/49/518875949.db2.gz	NOGKAOAMDQJIJD-UHFFFAOYSA-N	0	0	440.524	5.454	50	30		IKEARN
C=CCNC(=O)/C(NC(=O)c1ccccc1)=C(\Sc1ccc(Cl)cc1)c1ccccc1	ZINC000002065397	518880255	/nfs/dbraw/zinc/88/02/55/518880255.db2.gz	BCCVPYSEHREEFF-GHVJWSGMSA-N	0	0	448.975	5.533	50	30		IKEARN
C=CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1	ZINC000002449261	518949381	/nfs/dbraw/zinc/94/93/81/518949381.db2.gz	QZKDVHUVNNHPQY-LGJNPRDNSA-N	0	0	446.016	5.343	50	30		IKEARN
C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2)n1	ZINC000008873831	518961542	/nfs/dbraw/zinc/96/15/42/518961542.db2.gz	OWJQTQAYKKOLID-UHFFFAOYSA-N	0	0	448.444	6.966	50	30		IKEARN
CC(C)(C)c1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O	ZINC000012381543	518990285	/nfs/dbraw/zinc/99/02/85/518990285.db2.gz	XOPUESJIOIAWEL-PKAZHMFMSA-N	0	0	428.020	5.797	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1OCC	ZINC000036245346	519000144	/nfs/dbraw/zinc/00/01/44/519000144.db2.gz	WEJKNKHXSKYPOW-CSKARUKUSA-N	0	0	426.310	5.837	50	30		IKEARN
C=CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1	ZINC000012908864	519010981	/nfs/dbraw/zinc/01/09/81/519010981.db2.gz	HXXFQLGKLAWEKU-UYRXBGFRSA-N	0	0	425.941	5.078	50	30		IKEARN
C=CCOc1ccc(/C=C(/C(=O)c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1	ZINC000008779097	519011461	/nfs/dbraw/zinc/01/14/61/519011461.db2.gz	VLUPEUDLWZGSSO-CLCOLTQESA-N	0	0	439.511	6.605	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OCC	ZINC000009232820	519015530	/nfs/dbraw/zinc/01/55/30/519015530.db2.gz	DYYFOROXQUWCDA-YBFXNURJSA-N	0	0	449.956	5.848	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(F)cc2)cc1	ZINC000013551470	519030081	/nfs/dbraw/zinc/03/00/81/519030081.db2.gz	FNUUFYIDPPKJOL-NOZRDPDXSA-N	0	0	445.450	5.541	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000012194259	519030547	/nfs/dbraw/zinc/03/05/47/519030547.db2.gz	FJEKASOJDJPVBY-YIXXDRMTSA-N	0	0	442.515	5.511	50	30		IKEARN
C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000002077028	519030556	/nfs/dbraw/zinc/03/05/56/519030556.db2.gz	BXFDDFILJYVWMO-UHFFFAOYSA-N	0	0	449.591	5.575	50	30		IKEARN
C=CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c32)CCCC4)cc1	ZINC000013141525	519033700	/nfs/dbraw/zinc/03/37/00/519033700.db2.gz	IZFHMOUHDJLIDZ-UHFFFAOYSA-N	0	0	442.588	5.833	50	30		IKEARN
C=CCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1	ZINC000020892394	519049517	/nfs/dbraw/zinc/04/95/17/519049517.db2.gz	WPCHVZGVYJGXNQ-OAQYLSRUSA-N	0	0	425.941	5.174	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCC(C)C)n2Cc1cccc(C(F)(F)F)c1	ZINC000035924520	519064027	/nfs/dbraw/zinc/06/40/27/519064027.db2.gz	UFVGNFNSVTWAKT-UHFFFAOYSA-N	0	0	430.470	5.659	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1cc(F)ccc1F	ZINC000035927875	519064200	/nfs/dbraw/zinc/06/42/00/519064200.db2.gz	AYPRRJAWQWCFHZ-UHFFFAOYSA-N	0	0	432.470	5.463	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)Nc1ccc(C)c(C)c1)n2Cc1ccc(F)cc1F	ZINC000035924523	519064317	/nfs/dbraw/zinc/06/43/17/519064317.db2.gz	DJJDQJIPKHNDOD-UHFFFAOYSA-N	0	0	446.497	6.402	50	30		IKEARN
C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1	ZINC000044087842	519083357	/nfs/dbraw/zinc/08/33/57/519083357.db2.gz	RSLWXNJEVJLTSX-UHFFFAOYSA-N	0	0	429.294	7.143	50	30		IKEARN
C=CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@@](C)(CC)Cc2ccccc2-1	ZINC000002375513	519093111	/nfs/dbraw/zinc/09/31/11/519093111.db2.gz	QYMZBLJVEQHERN-SANMLTNESA-N	0	0	442.588	5.108	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1scc([O-])[n+]1-c1ccc(C)cc1	ZINC000025560101	519121495	/nfs/dbraw/zinc/12/14/95/519121495.db2.gz	NOLUZRYEKYMDJC-UHFFFAOYSA-N	0	0	441.001	5.618	50	30		IKEARN
C=CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)Nc1ccccc1	ZINC000044085767	519148376	/nfs/dbraw/zinc/14/83/76/519148376.db2.gz	WTWVPSZPHWQICV-UHFFFAOYSA-N	0	0	428.355	5.229	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(C)=O)s/c1=N\c1cccc(Cl)c1Cl	ZINC000027015891	519148747	/nfs/dbraw/zinc/14/87/47/519148747.db2.gz	NLZKYLLDXPJXAY-DAFNUICNSA-N	0	0	432.376	6.209	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccccc1Cl	ZINC000245226349	519149865	/nfs/dbraw/zinc/14/98/65/519149865.db2.gz	SFFRKNZZMKEFCL-UHFFFAOYSA-N	0	0	435.936	6.134	50	30		IKEARN
C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1ccc(Cl)cc1	ZINC000044085749	519151039	/nfs/dbraw/zinc/15/10/39/519151039.db2.gz	UBKLYJDDSISYJX-UHFFFAOYSA-N	0	0	428.901	5.029	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(F)cc1Cl)CCCCC3	ZINC000003336594	519158943	/nfs/dbraw/zinc/15/89/43/519158943.db2.gz	TWGPDZIPMMPVFB-UHFFFAOYSA-N	0	0	434.989	5.998	50	30		IKEARN
C=CCn1c(CN(C)Cc2ccc(-c3ccccc3C)cc2)nnc1SC[C@@H]1CCCO1	ZINC000055182729	519179557	/nfs/dbraw/zinc/17/95/57/519179557.db2.gz	QWBYJVSUEFAZFR-QHCPKHFHSA-N	0	0	448.636	5.343	50	30		IKEARN
C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1c(F)cccc1Cl	ZINC000013843837	519183197	/nfs/dbraw/zinc/18/31/97/519183197.db2.gz	UUNRDWZPIRDXAT-UHFFFAOYSA-N	0	0	445.991	6.425	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1C	ZINC000009307673	519185499	/nfs/dbraw/zinc/18/54/99/519185499.db2.gz	PWEYYZISCIRZHR-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1	ZINC000012788172	519191009	/nfs/dbraw/zinc/19/10/09/519191009.db2.gz	KQWLXFUCIGLKKH-CQSZACIVSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCn1c(SCC(=O)N(c2ccccc2)C2CCCCC2)nnc1-c1ccoc1C	ZINC000013117224	519200588	/nfs/dbraw/zinc/20/05/88/519200588.db2.gz	PMEYFXMFIKEJMN-UHFFFAOYSA-N	0	0	436.581	5.491	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1C	ZINC000002355494	519211964	/nfs/dbraw/zinc/21/19/64/519211964.db2.gz	GFCJMTFRPJKUQA-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(C)c1	ZINC000002447668	519212924	/nfs/dbraw/zinc/21/29/24/519212924.db2.gz	LBXSJSCFRBUDBZ-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1	ZINC000009307519	519213123	/nfs/dbraw/zinc/21/31/23/519213123.db2.gz	WCRPHRAPCVDZSM-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc2ccccc2n1	ZINC000000816368	519216139	/nfs/dbraw/zinc/21/61/39/519216139.db2.gz	SWTSURAYEJKJNG-UHFFFAOYSA-N	0	0	429.549	5.027	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1	ZINC000015018912	519218302	/nfs/dbraw/zinc/21/83/02/519218302.db2.gz	DKFCSSWRSRFWLQ-UHFFFAOYSA-N	0	0	442.903	5.401	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1C12CC3CC(CC(C3)C1)C2	ZINC000012379133	519222152	/nfs/dbraw/zinc/22/21/52/519222152.db2.gz	MLTONZZBNYIBJT-UHFFFAOYSA-N	0	0	443.016	5.316	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nc2sc(C)c(C)c2c1=O	ZINC000013513308	519222296	/nfs/dbraw/zinc/22/22/96/519222296.db2.gz	NHYUOJUKPZJWPQ-UHFFFAOYSA-N	0	0	435.574	5.145	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002544701	519222754	/nfs/dbraw/zinc/22/27/54/519222754.db2.gz	UFCKIACKAZXZJH-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(OC)cc1	ZINC000002444439	519223589	/nfs/dbraw/zinc/22/35/89/519223589.db2.gz	LLFFGYWZILMYNO-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)nnc1C(C)C	ZINC000017095596	519225672	/nfs/dbraw/zinc/22/56/72/519225672.db2.gz	RUVYCEPEUWPOPE-UHFFFAOYSA-N	0	0	427.599	5.059	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	ZINC000002292164	519231263	/nfs/dbraw/zinc/23/12/63/519231263.db2.gz	ZBYISUQVRYYTTR-CYBMUJFWSA-N	0	0	445.009	5.397	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3	ZINC000003267514	519231795	/nfs/dbraw/zinc/23/17/95/519231795.db2.gz	ZSTFECXNXDJWGP-UHFFFAOYSA-N	0	0	438.618	5.405	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1[C@H]1COc2ccccc2O1	ZINC000009605893	519233165	/nfs/dbraw/zinc/23/31/65/519233165.db2.gz	IIWIDWWVLSOZEH-HSZRJFAPSA-N	0	0	443.528	5.105	50	30		IKEARN
C=CCn1c(SCc2ccc(C(C)(C)C)cc2)nc2sc(-c3ccccc3)cc2c1=O	ZINC000001896246	519238534	/nfs/dbraw/zinc/23/85/34/519238534.db2.gz	PTUVHTQLOQYLAU-UHFFFAOYSA-N	0	0	446.641	6.901	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847678	519240087	/nfs/dbraw/zinc/24/00/87/519240087.db2.gz	AQTBPGABTPVYIP-UHFFFAOYSA-N	0	0	436.364	5.747	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H]1COc2ccccc2O1	ZINC000013110217	519240162	/nfs/dbraw/zinc/24/01/62/519240162.db2.gz	DLXLREYHFKOVOH-SFHVURJKSA-N	0	0	434.348	5.576	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847686	519240629	/nfs/dbraw/zinc/24/06/29/519240629.db2.gz	HIUYFQRTQFBYKP-UHFFFAOYSA-N	0	0	436.364	5.747	50	30		IKEARN
C=CCn1c(SCc2cccc(C(=O)NCc3ccc(F)cc3)c2)nnc1-c1ccco1	ZINC000096292061	519241596	/nfs/dbraw/zinc/24/15/96/519241596.db2.gz	ZGTPQSOQWKIYIP-UHFFFAOYSA-N	0	0	448.523	5.086	50	30		IKEARN
C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	ZINC000002222936	519241806	/nfs/dbraw/zinc/24/18/06/519241806.db2.gz	BOCFYODNFBMCMG-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc(OCC)cc3)n2)nnc1-c1ccncc1	ZINC000014247586	519245380	/nfs/dbraw/zinc/24/53/80/519245380.db2.gz	BTBVHDYQOFRAKW-UHFFFAOYSA-N	0	0	435.578	5.341	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)Oc1ccc(C(C)C)cc1	ZINC000017095675	519245515	/nfs/dbraw/zinc/24/55/15/519245515.db2.gz	HZBVHBGKSMFTNF-KRWDZBQOSA-N	0	0	428.001	6.673	50	30		IKEARN
C=CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nc2ccccc21	ZINC000011650450	519246477	/nfs/dbraw/zinc/24/64/77/519246477.db2.gz	YAESIGUITAGELE-UHFFFAOYSA-N	0	0	434.590	5.964	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C	ZINC000013020033	519257664	/nfs/dbraw/zinc/25/76/64/519257664.db2.gz	BDNPSYOEYREVBD-CYBMUJFWSA-N	0	0	436.459	5.171	50	30		IKEARN
C=CCn1c(Sc2ncc(C(F)(F)F)cc2Cl)nnc1-c1ccccc1OC	ZINC000095946820	519259264	/nfs/dbraw/zinc/25/92/64/519259264.db2.gz	GNCPNUPHSWYIOJ-UHFFFAOYSA-N	0	0	426.851	5.358	50	30		IKEARN
CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000012856308	519259150	/nfs/dbraw/zinc/25/91/50/519259150.db2.gz	BEFUWMVQNXRZDW-WRONEBCDSA-N	0	0	438.571	7.337	50	30		IKEARN
C=CCn1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013114907	519259806	/nfs/dbraw/zinc/25/98/06/519259806.db2.gz	GWKHTAVDCJCUSM-QGZVFWFLSA-N	0	0	445.592	6.332	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC(F)F)c(OC)c3)c12	ZINC000012684756	519266020	/nfs/dbraw/zinc/26/60/20/519266020.db2.gz	LKUKKQSCWUCMMG-PKNBQFBNSA-N	0	0	437.446	5.290	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)cc(Cl)c3OC)c12	ZINC000035178734	519267314	/nfs/dbraw/zinc/26/73/14/519267314.db2.gz	KWVMQIZNTAUQOB-KTKRTIGZSA-N	0	0	440.330	5.995	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3c(C)nn(CC(C)C)c3Cl)c12	ZINC000096925863	519267563	/nfs/dbraw/zinc/26/75/63/519267563.db2.gz	VBXQUIUFBWOYQF-QXMHVHEDSA-N	0	0	435.959	5.494	50	30		IKEARN
C=CCn1c2ccccc2nc1SCc1nnc(-c2ccccc2Br)o1	ZINC000009670054	519268919	/nfs/dbraw/zinc/26/89/19/519268919.db2.gz	RKKYVWGUUVCGHT-UHFFFAOYSA-N	0	0	427.327	5.327	50	30		IKEARN
C=COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095676761	519294251	/nfs/dbraw/zinc/29/42/51/519294251.db2.gz	UCRSPYLHWASUKR-UHFFFAOYSA-N	0	0	440.102	5.047	50	30		IKEARN
C=C[C@H]1C=C(COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]2OC(C)(C)O[C@@H]21	ZINC000091297402	519300689	/nfs/dbraw/zinc/30/06/89/519300689.db2.gz	PTIHDIXARMLYBE-XDAJTCOGSA-N	0	0	438.567	6.257	50	30		IKEARN
CC(C)(O)C#Cc1ccc(CN2CCc3c4ccccc4[nH]c3[C@@H]2c2cccc(O)c2)cc1	ZINC000020999283	519332447	/nfs/dbraw/zinc/33/24/47/519332447.db2.gz	ZHFAJQYSASOATN-NDEPHWFRSA-N	0	0	436.555	5.144	50	30		IKEARN
CC(C)Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)cc1	ZINC000013658240	519430891	/nfs/dbraw/zinc/43/08/91/519430891.db2.gz	CFWITKNMMCOARG-XHPQRKPJSA-N	0	0	439.382	6.111	50	30		IKEARN
CC(=O)N(c1nc(/C=C2/CCOc3ccc(F)cc3C2=O)cs1)c1ccc(F)cc1F	ZINC000096129812	519474559	/nfs/dbraw/zinc/47/45/59/519474559.db2.gz	AMTZHCDQPTVLJV-JYRVWZFOSA-N	0	0	444.434	5.294	50	30		IKEARN
CC(=O)N(c1nc(/C=C\C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C	ZINC000096305200	519476290	/nfs/dbraw/zinc/47/62/90/519476290.db2.gz	LPDAQFYGEIOTBQ-QXMHVHEDSA-N	0	0	444.478	6.359	50	30		IKEARN
CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2c(Cl)cccc2Cl)C1=O	ZINC000003069877	519609476	/nfs/dbraw/zinc/60/94/76/519609476.db2.gz	SPPJFZOSDLPQHZ-CLCOLTQESA-N	0	0	439.726	5.487	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@]21C	ZINC000257348658	519645554	/nfs/dbraw/zinc/64/55/54/519645554.db2.gz	HVEXIRSOIACQFA-UPBWCNJYSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257350702	519645799	/nfs/dbraw/zinc/64/57/99/519645799.db2.gz	ZJFYDPFCQFKJHC-AXNXTQODSA-N	0	0	430.677	7.740	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000257348901	519646007	/nfs/dbraw/zinc/64/60/07/519646007.db2.gz	JVBJMRIVVNLPKI-HZGIUJRKSA-N	0	0	433.677	6.024	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2)CC(C)C	ZINC000013682392	519717862	/nfs/dbraw/zinc/71/78/62/519717862.db2.gz	JQULBHOFWPHMQW-AFPJDJCSSA-N	0	0	448.390	6.429	50	30		IKEARN
CC(=O)Nc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000017179840	519727562	/nfs/dbraw/zinc/72/75/62/519727562.db2.gz	KGYNRTBLXDPDRW-UHFFFAOYSA-N	0	0	425.536	5.958	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1	ZINC000014605388	519734769	/nfs/dbraw/zinc/73/47/69/519734769.db2.gz	GDMYJMAPRZGDDJ-SANMLTNESA-N	0	0	431.580	5.075	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1	ZINC000013568552	519781640	/nfs/dbraw/zinc/78/16/40/519781640.db2.gz	VNLHLXBIHDGYKZ-QYBDOPJKSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N	ZINC000038534884	519782076	/nfs/dbraw/zinc/78/20/76/519782076.db2.gz	YAGABWFIBDLYFJ-MUFRIFMGSA-N	0	0	436.467	7.362	50	30		IKEARN
CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1cccs1)C2	ZINC000013568543	519784923	/nfs/dbraw/zinc/78/49/23/519784923.db2.gz	XNPQQCZYFCCLKP-MRDQGFSESA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3cc(OCC(=O)OCc4ccccc4)ccc3C2=O)cc1	ZINC000013570026	519834265	/nfs/dbraw/zinc/83/42/65/519834265.db2.gz	GGUKEGPZIBBTMC-QFEZKATASA-N	0	0	428.484	5.548	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000102607556	519839379	/nfs/dbraw/zinc/83/93/79/519839379.db2.gz	KKJNQEZOLFNTKR-HOGKFDNTSA-N	0	0	435.907	5.678	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1	ZINC000021722891	519883943	/nfs/dbraw/zinc/88/39/43/519883943.db2.gz	AIWDFLWXFYSPMZ-XMMPIXPASA-N	0	0	433.552	5.431	50	30		IKEARN
CCNC(=S)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1	ZINC000008997103	519903436	/nfs/dbraw/zinc/90/34/36/519903436.db2.gz	QVVUBRKUPNRMHT-QHCPKHFHSA-N	0	0	435.593	5.206	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000018116547	519910874	/nfs/dbraw/zinc/91/08/74/519910874.db2.gz	LFYMAAVEQYMJLZ-VWLOTQADSA-N	0	0	447.535	5.928	50	30		IKEARN
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253586541	519938929	/nfs/dbraw/zinc/93/89/29/519938929.db2.gz	DOMWKUIIPQCAJU-IHFIBMCWSA-N	0	0	428.613	5.970	50	30		IKEARN
CCCCCC/C=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095681788	519945214	/nfs/dbraw/zinc/94/52/14/519945214.db2.gz	JNMMIYWYYKPWFO-BQYQJAHWSA-N	0	0	430.248	7.252	50	30		IKEARN
CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000102990262	519960995	/nfs/dbraw/zinc/96/09/95/519960995.db2.gz	MGEZIJXPNADMCO-QFEZKATASA-N	0	0	438.519	6.376	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@@H](C)CC	ZINC000102991035	519961491	/nfs/dbraw/zinc/96/14/91/519961491.db2.gz	DILPGWNXQGHZIB-QHCPKHFHSA-N	0	0	440.628	5.839	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1	ZINC000072400086	519970284	/nfs/dbraw/zinc/97/02/84/519970284.db2.gz	NKQFKJYKCVDLPT-KHPPLWFESA-N	0	0	440.624	8.044	50	30	in-vitro	IKEARN
CCCCCCCCC(=O)N1CCN(c2nc(C3CC3)nc3sc(C)c(C)c32)CC1	ZINC000102996141	519971711	/nfs/dbraw/zinc/97/17/11/519971711.db2.gz	VACAQHZYAVJWPY-UHFFFAOYSA-N	0	0	428.646	5.585	50	30		IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000252441228	519980186	/nfs/dbraw/zinc/98/01/86/519980186.db2.gz	LBERVHLCXUMDOT-SYHBSSCQSA-N	0	0	442.684	7.571	50	30		IKEARN
CCCCCCCCCCCC(=O)N1CCC2(CC1)Nc1cc(Cl)ccc1C(=O)N2	ZINC000102999836	519982186	/nfs/dbraw/zinc/98/21/86/519982186.db2.gz	KLGJQHXSQTZZKY-UHFFFAOYSA-N	0	0	434.024	5.735	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1	ZINC000008449914	519983316	/nfs/dbraw/zinc/98/33/16/519983316.db2.gz	VGVWHIWQHBELQY-UHFFFAOYSA-N	0	0	429.004	7.452	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCc1c[nH]c2ccc(O)cc12	ZINC000064858533	519992514	/nfs/dbraw/zinc/99/25/14/519992514.db2.gz	FKWHKBXVLNKTGT-UHFFFAOYSA-N	0	0	442.688	7.794	50	30	in-vitro	IKEARN
CCCCCCCCCCCCCCCCCC(=O)O/N=C1\CCc2cc(OC)ccc21	ZINC000008427260	519992685	/nfs/dbraw/zinc/99/26/85/519992685.db2.gz	HAWPHJBFQGNYHZ-ORIPQNMZSA-N	0	0	443.672	8.150	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)OC[C@@]1(CO)CCCO1	ZINC000101020996	519994854	/nfs/dbraw/zinc/99/48/54/519994854.db2.gz	NNCZMROTQMDGEM-VWLOTQADSA-N	0	0	427.670	6.516	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)c(N)c1	ZINC000100990526	520000438	/nfs/dbraw/zinc/00/04/38/520000438.db2.gz	ZILOAZTVOLFCRO-UHFFFAOYSA-N	0	0	431.086	7.145	50	30		IKEARN
CCCCCCCCCCCCCCCCNc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000096021522	520001885	/nfs/dbraw/zinc/00/18/85/520001885.db2.gz	VQQZTFUBNMNCQU-UHFFFAOYSA-N	0	0	446.683	8.561	50	30		IKEARN
CCCCCCCCCCCCCCC[C@H](O)CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000096094920	520005866	/nfs/dbraw/zinc/00/58/66/520005866.db2.gz	PWZJXSPDNGIODC-GOTSBHOMSA-O	0	0	444.677	5.311	50	30	in-vitro	IKEARN
CCCCCCCCCCCCNC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(C)=O	ZINC000097997098	520010222	/nfs/dbraw/zinc/01/02/22/520010222.db2.gz	ZFYRMQFKUCQZMW-DEOSSOPVSA-N	0	0	446.632	5.052	50	30		IKEARN
CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@H]21	ZINC000230006041	520011189	/nfs/dbraw/zinc/01/11/89/520011189.db2.gz	WHLBCNRCXJZXMF-VNXMGFANSA-N	0	0	428.610	5.320	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1	ZINC000097952975	520017596	/nfs/dbraw/zinc/01/75/96/520017596.db2.gz	MUUVYRSJUZVUTP-XMMPIXPASA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1	ZINC000097954680	520018011	/nfs/dbraw/zinc/01/80/11/520018011.db2.gz	ZIAWBIRTRVUACD-XMMPIXPASA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCCCOC(=O)c1cccc(Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000102102974	520020950	/nfs/dbraw/zinc/02/09/50/520020950.db2.gz	ZHPZKCMNKIXXJZ-UHFFFAOYSA-N	0	0	443.500	6.544	50	30		IKEARN
CCCCCCCCCCOc1ccc(/C=N/c2ccc(OCC3=CCOCC3)cc2)cc1	ZINC000100858387	520021119	/nfs/dbraw/zinc/02/11/19/520021119.db2.gz	CKOIOZPSWBGYQT-JJKYIXSRSA-N	0	0	449.635	7.682	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O	ZINC000002062877	520022240	/nfs/dbraw/zinc/02/22/40/520022240.db2.gz	MKKYDYZZUMRNHG-UHFFFAOYSA-N	0	0	435.564	6.402	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(C)c2)c2nc3ccccc3nc21	ZINC000102818095	520029208	/nfs/dbraw/zinc/02/92/08/520029208.db2.gz	OVGQHQKHUOFDFI-UHFFFAOYSA-N	0	0	444.579	6.372	50	30		IKEARN
CCCCCCCCCn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C	ZINC000097950524	520030681	/nfs/dbraw/zinc/03/06/81/520030681.db2.gz	PXFVKROMEQHXED-UHFFFAOYSA-N	0	0	449.020	5.120	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/SC(=S)N(Nc3ccccc3)C2=O)cc1	ZINC000103038249	520042756	/nfs/dbraw/zinc/04/27/56/520042756.db2.gz	FPAHKPIGHJWKQI-RELWKKBWSA-N	0	0	440.634	6.654	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1	ZINC000097997900	520043242	/nfs/dbraw/zinc/04/32/42/520043242.db2.gz	VRQNXTFIYLKSON-QLYXXIJNSA-N	0	0	449.591	6.949	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccccc1	ZINC000050860251	520047918	/nfs/dbraw/zinc/04/79/18/520047918.db2.gz	VSFDCALZSHNYNN-UHFFFAOYSA-N	0	0	438.619	7.225	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1	ZINC000050704702	520048063	/nfs/dbraw/zinc/04/80/63/520048063.db2.gz	ARPKSXSDHKDPJO-UHFFFAOYSA-N	0	0	445.010	7.968	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(/N=C3\c4cc(F)ccc4NC3=O)cc2)cc1	ZINC000033355895	520050183	/nfs/dbraw/zinc/05/01/83/520050183.db2.gz	JYBTVXGFPCGVBM-UHFFFAOYSA-N	0	0	428.551	7.469	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21	ZINC000097953038	520053866	/nfs/dbraw/zinc/05/38/66/520053866.db2.gz	FTYRNCAFQRHGCW-UHFFFAOYSA-N	0	0	429.568	5.473	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21	ZINC000002349038	520054017	/nfs/dbraw/zinc/05/40/17/520054017.db2.gz	XAZRMXZBDHGZMH-UHFFFAOYSA-N	0	0	443.551	5.059	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000101285160	520059476	/nfs/dbraw/zinc/05/94/76/520059476.db2.gz	HMLZKWOPDZSXTP-HSZRJFAPSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000059503807	520060183	/nfs/dbraw/zinc/06/01/83/520060183.db2.gz	KOOQSRKTRUFHRG-HSZRJFAPSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCSc1ncnc2c3c4c(c(-c5ccccc5)nc3sc21)CCC4	ZINC000053319294	520067151	/nfs/dbraw/zinc/06/71/51/520067151.db2.gz	LPMSBAODQYLMBV-UHFFFAOYSA-N	0	0	433.646	7.458	50	30		IKEARN
CCCCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21	ZINC000002420845	520071388	/nfs/dbraw/zinc/07/13/88/520071388.db2.gz	BANLSISJZGVLBP-UHFFFAOYSA-N	0	0	443.595	5.500	50	30		IKEARN
CCCCCCCn1cc(OC(=O)CCC)c2c3nc4ccccc4n3c(CCC)nc21	ZINC000002350327	520072462	/nfs/dbraw/zinc/07/24/62/520072462.db2.gz	SGKLOHKJBLFNFF-UHFFFAOYSA-N	0	0	434.584	6.466	50	30		IKEARN
CC/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC	ZINC000002185323	520207701	/nfs/dbraw/zinc/20/77/01/520207701.db2.gz	JFBIQWUQAAUWBX-OOROLWMESA-N	0	0	428.863	5.931	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1	ZINC000002296712	520228653	/nfs/dbraw/zinc/22/86/53/520228653.db2.gz	GUZYPJMBECRBKG-QHCPKHFHSA-N	0	0	425.569	5.423	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000001079485	520254625	/nfs/dbraw/zinc/25/46/25/520254625.db2.gz	UOYPBBMXWYNOKZ-MRXNPFEDSA-N	0	0	426.419	5.037	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1ccc(Cl)cc1Cl	ZINC000001079568	520256163	/nfs/dbraw/zinc/25/61/63/520256163.db2.gz	WVLPDWFBZYBTDB-QGZVFWFLSA-N	0	0	432.322	6.296	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Br)cc1	ZINC000019721014	520258077	/nfs/dbraw/zinc/25/80/77/520258077.db2.gz	DGVQUIVMQBNTKQ-FPOVZHCZSA-N	0	0	434.333	5.491	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@@H]2c2ccc(Cl)cc2)C1	ZINC000021658655	520259433	/nfs/dbraw/zinc/25/94/33/520259433.db2.gz	OFBJWBOXZRGQKN-HSZRJFAPSA-N	0	0	448.910	5.770	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000008781194	520259818	/nfs/dbraw/zinc/25/98/18/520259818.db2.gz	IRAFJWCEGJOZKT-HSZRJFAPSA-N	0	0	432.907	6.602	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1cccc(Br)c1)OCO3	ZINC000012349572	520260023	/nfs/dbraw/zinc/26/00/23/520260023.db2.gz	BKRIASRLTWHDJO-FQEVSTJZSA-N	0	0	426.310	5.378	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccco1	ZINC000021722218	520261610	/nfs/dbraw/zinc/26/16/10/520261610.db2.gz	UVXGBJSEOUUXHN-HSZRJFAPSA-N	0	0	431.492	5.399	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@@H]2c1ccco1	ZINC000021722206	520262194	/nfs/dbraw/zinc/26/21/94/520262194.db2.gz	AUEIMCPMWHAKJR-XMMPIXPASA-N	0	0	445.494	6.267	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@H]2c1ccccc1	ZINC000021722107	520262211	/nfs/dbraw/zinc/26/22/11/520262211.db2.gz	CTZAQFNJTNQTIO-DFBJGRDBSA-N	0	0	445.563	5.192	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1cccs1	ZINC000015826261	520262238	/nfs/dbraw/zinc/26/22/38/520262238.db2.gz	WMYGIGQHVGXWGL-QHCPKHFHSA-N	0	0	447.560	5.867	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccco1	ZINC000021722220	520262249	/nfs/dbraw/zinc/26/22/49/520262249.db2.gz	UVXGBJSEOUUXHN-QHCPKHFHSA-N	0	0	431.492	5.399	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@H]2c1cccs1	ZINC000021356132	520262352	/nfs/dbraw/zinc/26/23/52/520262352.db2.gz	TXLDGBORDSRBLL-DEOSSOPVSA-N	0	0	446.547	6.344	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@@H]2c1ccccc1Cl	ZINC000009313318	520265313	/nfs/dbraw/zinc/26/53/13/520265313.db2.gz	YLBHACCMDZAHFA-HHHXNRCGSA-N	0	0	442.990	7.157	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1nc3ccccc3[nH]1)[C@@H]2c1ccccc1	ZINC000009281385	520265351	/nfs/dbraw/zinc/26/53/51/520265351.db2.gz	LSFLZNUJDFQEQS-MUUNZHRXSA-N	0	0	448.570	6.380	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)c3cccs3)[C@@H]2c2ccccc2)C1	ZINC000009482808	520265531	/nfs/dbraw/zinc/26/55/31/520265531.db2.gz	CJXHSLSYBRACAX-JOCHJYFZSA-N	0	0	429.545	5.600	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@@H]2c1ccco1	ZINC000021722795	520265974	/nfs/dbraw/zinc/26/59/74/520265974.db2.gz	HGFWPISOQPDINR-XMMPIXPASA-N	0	0	448.544	5.285	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@H]2c1ccc(Cl)cc1	ZINC000000664336	520268299	/nfs/dbraw/zinc/26/82/99/520268299.db2.gz	WSDGGKBASRLSBF-FQEVSTJZSA-N	0	0	437.923	5.011	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000002255636	520271106	/nfs/dbraw/zinc/27/11/06/520271106.db2.gz	DWOIAUIMPXLSLC-SSEXGKCCSA-N	0	0	429.563	7.816	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850246	520274352	/nfs/dbraw/zinc/27/43/52/520274352.db2.gz	HJFCDOZPRJQOBK-IBGZPJMESA-N	0	0	431.005	5.872	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850127	520274410	/nfs/dbraw/zinc/27/44/10/520274410.db2.gz	JNIOXNAYSSONJO-IBGZPJMESA-N	0	0	431.005	5.872	50	30		IKEARN
CC1(C)CC(=O)C=C(Nc2ccc(C34C[C@H]5C[C@H](CC(Br)(C5)C3)C4)cc2)C1	ZINC000100098702	520287811	/nfs/dbraw/zinc/28/78/11/520287811.db2.gz	CVDCNTZSJSSRKK-APNWDRHGSA-N	0	0	428.414	7.006	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1	ZINC000036602819	520288103	/nfs/dbraw/zinc/28/81/03/520288103.db2.gz	RREADCRJTXDABK-RUZDIDTESA-N	0	0	441.571	7.292	50	30		IKEARN
CCCOc1ccc(/C=C/C(=O)c2ccc3c(c2)Nc2ccccc2S3)c(OCCC)c1	ZINC000012546855	520320284	/nfs/dbraw/zinc/32/02/84/520320284.db2.gz	BSXCEIFYZAJMOI-JLHYYAGUSA-N	0	0	445.584	7.369	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccccc2F)cc1C	ZINC000013122084	520331320	/nfs/dbraw/zinc/33/13/20/520331320.db2.gz	WUFDHUTXBVGMFP-HSZRJFAPSA-N	0	0	446.478	5.101	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccc(F)cc1)C2	ZINC000016293760	520485719	/nfs/dbraw/zinc/48/57/19/520485719.db2.gz	NYOLGTHMWYXCMV-BVZFJXPGSA-N	0	0	449.522	5.149	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000008444086	520486103	/nfs/dbraw/zinc/48/61/03/520486103.db2.gz	UPIFDHKHXHBGTB-AREMUKBSSA-N	0	0	432.564	6.028	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2	ZINC000020650017	520495626	/nfs/dbraw/zinc/49/56/26/520495626.db2.gz	RWQVKVXQJZLEOR-HMAPJEAMSA-N	0	0	448.390	6.717	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccccc13)O2	ZINC000020648360	520496149	/nfs/dbraw/zinc/49/61/49/520496149.db2.gz	WEINRUDCSGIPGT-YZSQISJMSA-N	0	0	446.591	6.385	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(C(=O)OC)cc1)O2	ZINC000020663572	520496833	/nfs/dbraw/zinc/49/68/33/520496833.db2.gz	CWPAXVVMKCWARC-KQWNVCNZSA-N	0	0	437.536	5.197	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1	ZINC000019827930	520498409	/nfs/dbraw/zinc/49/84/09/520498409.db2.gz	PKAPHACYLSPAAN-CYFREDJKSA-N	0	0	435.951	5.573	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1	ZINC000001184399	520499953	/nfs/dbraw/zinc/49/99/53/520499953.db2.gz	BQEAGWNBPANOMQ-OPAMFIHVSA-N	0	0	439.602	5.395	50	30		IKEARN
CC1(C)CS/C(=N\CCc2ccccc2)N1C(=O)c1cccnc1Sc1ccccc1	ZINC000013129633	520515722	/nfs/dbraw/zinc/51/57/22/520515722.db2.gz	BAXCSXFKHRPQSV-PNHLSOANSA-N	0	0	447.629	5.799	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1OC	ZINC000013286330	520556693	/nfs/dbraw/zinc/55/66/93/520556693.db2.gz	SJRCFQVRCGPLPQ-BEIQUOEZSA-N	0	0	425.579	5.469	50	30		IKEARN
CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	ZINC000002060633	520559033	/nfs/dbraw/zinc/55/90/33/520559033.db2.gz	XHTPKSASFCGETM-LJQANCHMSA-N	0	0	449.620	5.414	50	30		IKEARN
CC1(C)Cc2c(sc3nc(C4CCCCC4)n(/N=C/c4ccc(F)cc4)c(=O)c23)CO1	ZINC000002269561	520577123	/nfs/dbraw/zinc/57/71/23/520577123.db2.gz	KBWNRIWEIUOYRP-LGJNPRDNSA-N	0	0	439.556	5.378	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1	ZINC000012527441	520618664	/nfs/dbraw/zinc/61/86/64/520618664.db2.gz	XDDFFJMOICQQRS-MHWRWJLKSA-N	0	0	444.531	5.065	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OCC	ZINC000012464993	520631940	/nfs/dbraw/zinc/63/19/40/520631940.db2.gz	CIMKPWCYDIVTHT-ATVHPVEESA-N	0	0	447.354	5.138	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1	ZINC000012605953	520633905	/nfs/dbraw/zinc/63/39/05/520633905.db2.gz	ZQGOIHPVFKKDCR-JLPGSUDCSA-N	0	0	444.556	5.864	50	30		IKEARN
CCOc1cc(/C=C2\Sc3ccccc3C2=O)cc(I)c1OC	ZINC000000649687	520638181	/nfs/dbraw/zinc/63/81/81/520638181.db2.gz	HERMCXVZVCSPNV-YBEGLDIGSA-N	0	0	438.286	5.028	50	30		IKEARN
CCOc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(F)cc1	ZINC000002123442	520691185	/nfs/dbraw/zinc/69/11/85/520691185.db2.gz	FLYDMYKOYVKCLC-UHFFFAOYSA-N	0	0	436.866	5.919	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000001441112	520779730	/nfs/dbraw/zinc/77/97/30/520779730.db2.gz	PEDBJMZWQJGIIB-MHZLTWQESA-N	0	0	427.500	5.837	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013492	520805638	/nfs/dbraw/zinc/80/56/38/520805638.db2.gz	LMOMWKOSFYAEJB-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	ZINC000010013487	520805682	/nfs/dbraw/zinc/80/56/82/520805682.db2.gz	FJSMDQJXVWOXQR-NRFANRHFSA-N	0	0	428.866	5.225	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C2=C(CCCC2=O)N1	ZINC000001010250	520807499	/nfs/dbraw/zinc/80/74/99/520807499.db2.gz	ONFNMQBVMJHACL-NRFANRHFSA-N	0	0	426.438	5.312	50	30		IKEARN
CCOc1ccc(-c2csc(N(/N=C/c3ccc4c(c3)OCO4)c3ccccc3)n2)cc1	ZINC000025560179	520812942	/nfs/dbraw/zinc/81/29/42/520812942.db2.gz	OZHKBXNNFKQDBH-CVKSISIWSA-N	0	0	443.528	6.110	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001183784	520814357	/nfs/dbraw/zinc/81/43/57/520814357.db2.gz	ZTEHWVZATXHWEJ-IVZQSRNASA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000861071	520818710	/nfs/dbraw/zinc/81/87/10/520818710.db2.gz	YROSDODVBIPNCI-RXFWQSSRSA-N	0	0	445.534	5.673	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000666628	520819839	/nfs/dbraw/zinc/81/98/39/520819839.db2.gz	IYGDBOCEZSZGLS-DEOSSOPVSA-N	0	0	436.596	5.233	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1	ZINC000001155930	520820793	/nfs/dbraw/zinc/82/07/93/520820793.db2.gz	GAPWZHICPGVRHT-XMMPIXPASA-N	0	0	447.531	5.027	50	30		IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002062029	520821344	/nfs/dbraw/zinc/82/13/44/520821344.db2.gz	ZWJUESPZACRXLF-DEOSSOPVSA-N	0	0	449.522	5.052	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001456566	520822057	/nfs/dbraw/zinc/82/20/57/520822057.db2.gz	NFVGQWMKSVJSOC-HXOBKFHXSA-N	0	0	437.561	5.015	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848680	520823145	/nfs/dbraw/zinc/82/31/45/520823145.db2.gz	JXDCVZKEBIJJLD-DEOSSOPVSA-N	0	0	449.978	5.730	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1	ZINC000000718181	520824664	/nfs/dbraw/zinc/82/46/64/520824664.db2.gz	AEKKKQZGFKZCDI-JOCHJYFZSA-N	0	0	441.449	5.417	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)cc2Cl)C1C(=O)c1ccccc1	ZINC000012416645	520828286	/nfs/dbraw/zinc/82/82/86/520828286.db2.gz	MBAKNYDGHLYQIR-QFIPXVFZSA-N	0	0	434.326	6.515	50	30		IKEARN
CCOc1ccc(-n2c(C)cc([C@@H]3c4c(C)[nH]nc4NC4=C3C(=O)CC(C)(C)C4)c2C)cc1	ZINC000012583543	520832492	/nfs/dbraw/zinc/83/24/92/520832492.db2.gz	XHAYHRUOCUGOEQ-XMMPIXPASA-N	0	0	444.579	5.725	50	30		IKEARN
CCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(OCC)c1	ZINC000014257478	520855210	/nfs/dbraw/zinc/85/52/10/520855210.db2.gz	UJTBVSPSHANVKH-WSDLNYQXSA-N	0	0	446.370	5.816	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1	ZINC000009030803	520857113	/nfs/dbraw/zinc/85/71/13/520857113.db2.gz	XKFUFHLEJRHHES-CLCOLTQESA-N	0	0	441.527	6.829	50	30		IKEARN
CCOc1ccc(/N=C2\S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000019865389	520861061	/nfs/dbraw/zinc/86/10/61/520861061.db2.gz	XZNYWKZYTUABSV-KWPJTZOTSA-N	0	0	444.556	6.293	50	30		IKEARN
CCCCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1	ZINC000012589564	520893962	/nfs/dbraw/zinc/89/39/62/520893962.db2.gz	OBMCIYAZZWVEQS-XMMPIXPASA-N	0	0	442.563	5.782	50	30		IKEARN
CC1C/C(=C\c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1	ZINC000006172526	520899958	/nfs/dbraw/zinc/89/99/58/520899958.db2.gz	DPCPTISPIMFHIU-BQWARBPISA-N	0	0	446.182	6.678	50	30		IKEARN
CC1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1	ZINC000004547106	520900957	/nfs/dbraw/zinc/90/09/57/520900957.db2.gz	KQLODMNRFYNBPZ-IFQMDVHZSA-N	0	0	426.170	7.766	50	30		IKEARN
CCOC(=O)Cc1ccc(/N=C/c2ccc(N(CC(C)C)CC(C)C)c([N+](=O)[O-])c2)cc1	ZINC000008855049	520904954	/nfs/dbraw/zinc/90/49/54/520904954.db2.gz	IGZUHXJOCCNLEQ-CVKSISIWSA-N	0	0	439.556	5.569	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006078500	520924160	/nfs/dbraw/zinc/92/41/60/520924160.db2.gz	LWLJPUIMQDIKSN-VWLOTQADSA-N	0	0	449.639	5.149	50	30		IKEARN
CCCCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1	ZINC000036611888	520977933	/nfs/dbraw/zinc/97/79/33/520977933.db2.gz	PTJXCVUKMLEYAD-DHRITJCHSA-N	0	0	446.523	5.651	50	30		IKEARN
CCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850769	520978869	/nfs/dbraw/zinc/97/88/69/520978869.db2.gz	KLJWGWQOMKMPBK-HXUWFJFHSA-N	0	0	426.586	5.227	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(=O)CC)c1ccccc1-2	ZINC000032997078	520980237	/nfs/dbraw/zinc/98/02/37/520980237.db2.gz	NKUZGTZAGUXRPV-HSZRJFAPSA-N	0	0	445.548	5.137	50	30		IKEARN
CCOc1ccc(N(CCC#N)C(=O)CN(Cc2ccccc2C(F)(F)F)C2CC2)cc1	ZINC000059387332	521029074	/nfs/dbraw/zinc/02/90/74/521029074.db2.gz	YEDFBWZARQFJNL-UHFFFAOYSA-N	0	0	445.485	5.015	50	30		IKEARN
CCOC(=O)[C@@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl	ZINC000012859055	521066523	/nfs/dbraw/zinc/06/65/23/521066523.db2.gz	MDFJEMXDADDZCP-IZHXIWSZSA-N	0	0	440.298	5.016	50	30		IKEARN
CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1	ZINC000021722328	521092300	/nfs/dbraw/zinc/09/23/00/521092300.db2.gz	MPPAOJDPMZISDT-RUZDIDTESA-N	0	0	443.503	5.891	50	30		IKEARN
CCCC[C@@H]1S/C(=N/N=C/c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000013617276	521118459	/nfs/dbraw/zinc/11/84/59/521118459.db2.gz	LEHKLFXCYIZPJE-AKBOQNEDSA-N	0	0	443.616	6.481	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000051366985	521118867	/nfs/dbraw/zinc/11/88/67/521118867.db2.gz	WLVVQLIZCFBEMH-MLKPGFSBSA-N	0	0	445.588	5.873	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000012648741	521168162	/nfs/dbraw/zinc/16/81/62/521168162.db2.gz	YLNFDTSZCDVHIG-WGDIFIGCSA-N	0	0	446.934	6.244	50	30		IKEARN
CCOc1ccc(OCCNC(=O)c2ccccc2SCc2ccc(C#N)cc2)cc1	ZINC000012895315	521175970	/nfs/dbraw/zinc/17/59/70/521175970.db2.gz	HLFHVHZAOITRGI-UHFFFAOYSA-N	0	0	432.545	5.058	50	30		IKEARN
CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1	ZINC000009731846	521242164	/nfs/dbraw/zinc/24/21/64/521242164.db2.gz	NJAVUQHUCUXTIU-JOCHJYFZSA-N	0	0	448.954	5.655	50	30		IKEARN
CCOc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012346920	521248570	/nfs/dbraw/zinc/24/85/70/521248570.db2.gz	WQOFDWNGZPMCLV-NRFANRHFSA-N	0	0	429.520	5.177	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2cccc(C(F)(F)F)c2)NC1=O	ZINC000015016291	521296482	/nfs/dbraw/zinc/29/64/82/521296482.db2.gz	VNVBIXCRPPKJLE-MOSHPQCFSA-N	0	0	442.462	6.149	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1	ZINC000027527946	521367167	/nfs/dbraw/zinc/36/71/67/521367167.db2.gz	XGARXZOHWZUNPN-CRIWNOGGSA-N	0	0	428.605	6.832	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)c(Cl)c1	ZINC000013286477	521513600	/nfs/dbraw/zinc/51/36/00/521513600.db2.gz	IRZMPEFICQNLLK-QUOYTPRUSA-N	0	0	445.997	5.651	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000096179145	521532459	/nfs/dbraw/zinc/53/24/59/521532459.db2.gz	LIPNXQLBCIZNOH-PSCYQSDVSA-N	0	0	445.544	5.250	50	30		IKEARN
CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000008779957	521579596	/nfs/dbraw/zinc/57/95/96/521579596.db2.gz	JKHGYJATRXVMIK-RUZDIDTESA-N	0	0	444.575	5.636	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012563298	521617162	/nfs/dbraw/zinc/61/71/62/521617162.db2.gz	OSEUYHUNOPAQFS-GOSISDBHSA-N	0	0	429.969	6.087	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2	ZINC000012579504	521617726	/nfs/dbraw/zinc/61/77/26/521617726.db2.gz	ORLCPCJHIRPNPH-QGZVFWFLSA-N	0	0	435.467	5.817	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1SCC(=O)Nc1ccc(CC#N)cc1	ZINC000026056500	521636464	/nfs/dbraw/zinc/63/64/64/521636464.db2.gz	FSSVUWCYRIDCIO-UHFFFAOYSA-N	0	0	432.471	5.262	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2cccc(C)c2)c2c(C)oc(C)c21	ZINC000009065361	521638319	/nfs/dbraw/zinc/63/83/19/521638319.db2.gz	VHTYZDDJVHKENV-VXPUYCOJSA-N	0	0	429.516	6.015	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccc(OC)cc13)O2	ZINC000020647119	521649366	/nfs/dbraw/zinc/64/93/66/521649366.db2.gz	YQNUFVWNSQQJSQ-AFUMVMLFSA-N	0	0	448.563	5.614	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccc(Cl)cc2C)c(C)n1	ZINC000032973118	521650959	/nfs/dbraw/zinc/65/09/59/521650959.db2.gz	CLMVHELQGKWBLF-UHFFFAOYSA-N	0	0	441.938	5.101	50	30		IKEARN
CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N[C@H](C)CC12CC3CC(CC(C3)C1)C2	ZINC000065304871	521677936	/nfs/dbraw/zinc/67/79/36/521677936.db2.gz	PYTBGZISYBCEOL-DKERFCRFSA-N	0	0	441.616	5.164	50	30		IKEARN
CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1	ZINC000021356382	521711791	/nfs/dbraw/zinc/71/17/91/521711791.db2.gz	ZOPMHFYKLCHVJZ-QHCPKHFHSA-N	0	0	437.540	5.032	50	30		IKEARN
CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1	ZINC000021722869	521711874	/nfs/dbraw/zinc/71/18/74/521711874.db2.gz	SLRMXMXCJNOQNQ-VWLOTQADSA-N	0	0	447.579	5.439	50	30		IKEARN
CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1	ZINC000036611413	521791615	/nfs/dbraw/zinc/79/16/15/521791615.db2.gz	WXKCDJIXOMLWJQ-NUGSKGIGSA-N	0	0	444.866	5.425	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1	ZINC000036611487	521792823	/nfs/dbraw/zinc/79/28/23/521792823.db2.gz	HIOQHIZYNSATGO-WSDLNYQXSA-N	0	0	428.901	5.358	50	30		IKEARN
CCSc1nnc(C)n1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000036611394	521793844	/nfs/dbraw/zinc/79/38/44/521793844.db2.gz	FCZQLMAWZAAJLL-ODCIPOBUSA-N	0	0	445.759	5.713	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1	ZINC000008438053	521805164	/nfs/dbraw/zinc/80/51/64/521805164.db2.gz	SMEIBFKIOWIDLV-HUOZHCEOSA-N	0	0	434.561	5.914	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=N/c1cnn(C)c1C(=O)Nc1cccc(Cl)c1	ZINC000000850516	521837131	/nfs/dbraw/zinc/83/71/31/521837131.db2.gz	NRBUWVZAMOLDMD-NUGSKGIGSA-N	0	0	437.714	5.392	50	30		IKEARN
CCc1ccccc1NC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000021722682	521872067	/nfs/dbraw/zinc/87/20/67/521872067.db2.gz	ZSVXZNDQMRWIIZ-HHHXNRCGSA-N	0	0	441.531	5.461	50	30		IKEARN
COc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)cc(Cl)c1OC	ZINC000013076283	521921285	/nfs/dbraw/zinc/92/12/85/521921285.db2.gz	GANPHQJZEVJECL-ATVHPVEESA-N	0	0	435.932	6.390	50	30		IKEARN
COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000002941315	521958191	/nfs/dbraw/zinc/95/81/91/521958191.db2.gz	OERFJZDXUYBERT-HYARGMPZSA-N	0	0	438.526	5.101	50	30		IKEARN
COc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)Nc1ccccc1Cl	ZINC000013063447	521965215	/nfs/dbraw/zinc/96/52/15/521965215.db2.gz	GBUSOKAPJFIHFR-XMHGGMMESA-N	0	0	447.918	5.579	50	30		IKEARN
COc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000103748326	521998911	/nfs/dbraw/zinc/99/89/11/521998911.db2.gz	ZVVHEEOKUZGKEE-YDZHTSKRSA-N	0	0	435.392	5.257	50	30		IKEARN
COc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000072334093	522012472	/nfs/dbraw/zinc/01/24/72/522012472.db2.gz	SAQSPBPPASJDJO-DHRITJCHSA-N	0	0	449.850	6.006	50	30		IKEARN
CN(C)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3n2C(F)(F)F)cc1	ZINC000013068616	522129233	/nfs/dbraw/zinc/12/92/33/522129233.db2.gz	MKUVIFUUCSVVCN-SILNSSARSA-N	0	0	435.449	6.002	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br	ZINC000068732082	522249511	/nfs/dbraw/zinc/24/95/11/522249511.db2.gz	KZFXJLHNDOQRRG-RUZDIDTESA-N	0	0	447.376	6.342	50	30		IKEARN
COC(=O)c1ccccc1-c1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)o1	ZINC000018136972	522252714	/nfs/dbraw/zinc/25/27/14/522252714.db2.gz	YFUKDNFDIIYZKM-XDHOZWIPSA-N	0	0	438.892	5.278	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C	ZINC000000804420	522307711	/nfs/dbraw/zinc/30/77/11/522307711.db2.gz	FOSTUEWWNKDYCU-UHFFFAOYSA-N	0	0	437.580	5.456	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1	ZINC000009260618	522310453	/nfs/dbraw/zinc/31/04/53/522310453.db2.gz	AHAXEKYNBCOJMM-UHFFFAOYSA-N	0	0	439.294	6.044	50	30		IKEARN
COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1ccc(Cl)cc1Cl	ZINC000012950868	522400067	/nfs/dbraw/zinc/40/00/67/522400067.db2.gz	DXLGNPSSIAYASH-AUEPDCJTSA-N	0	0	438.698	5.170	50	30		IKEARN
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	ZINC000012545433	522514768	/nfs/dbraw/zinc/51/47/68/522514768.db2.gz	PLPHQZUDGGMOMQ-LLVKDONJSA-N	0	0	443.878	5.370	50	30		IKEARN
COc1cc(Cl)cc(/C=N/c2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1O	ZINC000022612082	522534312	/nfs/dbraw/zinc/53/43/12/522534312.db2.gz	KNHCKVQFMMQSOT-RPPGKUMJSA-N	0	0	437.952	5.296	50	30		IKEARN
CN(CCC#N)C(=O)COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21	ZINC000012539910	522668748	/nfs/dbraw/zinc/66/87/48/522668748.db2.gz	NOJQKLWNCHJVED-UHFFFAOYSA-N	0	0	449.510	5.098	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccc(C)cc2)c1	ZINC000035847755	522838281	/nfs/dbraw/zinc/83/82/81/522838281.db2.gz	FPAAZXSPOXRDRS-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000000627439	522877181	/nfs/dbraw/zinc/87/71/81/522877181.db2.gz	DCHYFSAAGOEXQS-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1	ZINC000001434667	522882862	/nfs/dbraw/zinc/88/28/62/522882862.db2.gz	QGBBCDVTQWDVTP-IVZQSRNASA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(Sc2ccccc2)o1	ZINC000000654035	522884415	/nfs/dbraw/zinc/88/44/15/522884415.db2.gz	SMAQQHDNAMPQGO-OAQYLSRUSA-N	0	0	429.497	5.172	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000797780	522885346	/nfs/dbraw/zinc/88/53/46/522885346.db2.gz	ORJGVVCQYURSQT-OAQYLSRUSA-N	0	0	431.875	5.341	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000797781	522888096	/nfs/dbraw/zinc/88/80/96/522888096.db2.gz	ORJGVVCQYURSQT-NRFANRHFSA-N	0	0	431.875	5.341	50	30		IKEARN
COc1cc2c(cc1OC)CC(C)(C)N(C)C(C(=O)c1c(C)n(C)c3cc(C)ccc31)=C2	ZINC000062001459	523023597	/nfs/dbraw/zinc/02/35/97/523023597.db2.gz	WHICLONRJAYFHR-UHFFFAOYSA-N	0	0	432.564	5.303	50	30	biogenic	IKEARN
COc1cc2c(cc1OC)[C@@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2	ZINC000023450809	523037972	/nfs/dbraw/zinc/03/79/72/523037972.db2.gz	IZCHXABDGJZTPY-MRXNPFEDSA-N	0	0	444.915	5.364	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348494	523115174	/nfs/dbraw/zinc/11/51/74/523115174.db2.gz	GCRIWPLHBVKSPY-VLSSOZHTSA-N	0	0	444.612	5.265	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cc(OC)ccc2OC)cc1	ZINC000013148371	523239935	/nfs/dbraw/zinc/23/99/35/523239935.db2.gz	NVQIHOXUVYTHOU-RVDMUPIBSA-N	0	0	440.499	5.461	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=C(/C(=O)c3ccccc3)c3nc4ccccc4[nH]3)ccc21	ZINC000012559563	523275520	/nfs/dbraw/zinc/27/55/20/523275520.db2.gz	MVRBBBXASCMHMB-CLCOLTQESA-N	0	0	441.534	7.114	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21	ZINC000020649756	523305559	/nfs/dbraw/zinc/30/55/59/523305559.db2.gz	MMZUPYWJHZJXHG-GDQCRLHRSA-N	0	0	446.547	5.366	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(C)cc4)c3C)C2=O)c2ccccc21	ZINC000009423620	523306234	/nfs/dbraw/zinc/30/62/34/523306234.db2.gz	XHXLKYJBFVAGKL-MFKUBSTISA-N	0	0	437.495	6.113	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21	ZINC000028182596	523308251	/nfs/dbraw/zinc/30/82/51/523308251.db2.gz	GQWIGWHKQSVVMS-KSEXSDGBSA-N	0	0	449.503	5.007	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000009271945	523400033	/nfs/dbraw/zinc/40/00/33/523400033.db2.gz	KMLLDMKCWPJFHI-VZUCSPMQSA-N	0	0	447.443	5.036	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2cccc(-n3cccc3)c2)cc1COc1cccc(Cl)c1	ZINC000036611183	523403102	/nfs/dbraw/zinc/40/31/02/523403102.db2.gz	ABLQFSIARXYYQS-ZRDIBKRKSA-N	0	0	443.930	6.614	50	30		IKEARN
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000012437351	523419495	/nfs/dbraw/zinc/41/94/95/523419495.db2.gz	SRHPYMJSPOOPMI-RCCKNPSSSA-N	0	0	427.500	5.445	50	30		IKEARN
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1CSc1nc2ccccc2s1	ZINC000001762133	523419981	/nfs/dbraw/zinc/41/99/81/523419981.db2.gz	ICKQDWXVBXZGBR-XMHGGMMESA-N	0	0	443.593	6.810	50	30		IKEARN
CC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O	ZINC000013597214	523420789	/nfs/dbraw/zinc/42/07/89/523420789.db2.gz	SGZYKMMJIROBTI-WWFKBGPPSA-N	0	0	437.568	6.237	50	30		IKEARN
COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)c(OC)c1	ZINC000012419930	523445437	/nfs/dbraw/zinc/44/54/37/523445437.db2.gz	QOSLWYWLLHQDSV-YSURURNPSA-N	0	0	425.407	5.431	50	30		IKEARN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009041174	523566460	/nfs/dbraw/zinc/56/64/60/523566460.db2.gz	DYQWWXXDCPZJAQ-HSZRJFAPSA-N	0	0	431.488	5.190	50	30		IKEARN
CC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000013617239	523606284	/nfs/dbraw/zinc/60/62/84/523606284.db2.gz	HUHMPQIMRFPRLA-BQHJCBTJSA-N	0	0	447.560	5.101	50	30		IKEARN
CC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2cccc3ccccc32)C1=O	ZINC000009380052	523607474	/nfs/dbraw/zinc/60/74/74/523607474.db2.gz	SGZYKMMJIROBTI-IOYLVGNBSA-N	0	0	437.568	6.237	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccccc2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973289	523635439	/nfs/dbraw/zinc/63/54/39/523635439.db2.gz	UWFGOXYFXNWPBB-UHFFFAOYSA-N	0	0	431.584	5.084	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C	ZINC000032972211	523639466	/nfs/dbraw/zinc/63/94/66/523639466.db2.gz	NWLNLZVRIALOKM-UHFFFAOYSA-N	0	0	431.584	5.350	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl	ZINC000013482298	523664910	/nfs/dbraw/zinc/66/49/10/523664910.db2.gz	SRSOJXJDJDRYLG-PJFOTGOESA-N	0	0	431.319	5.224	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1	ZINC000012466096	523665383	/nfs/dbraw/zinc/66/53/83/523665383.db2.gz	JNAAZPVXVYVNER-CKBSFLJSSA-N	0	0	431.319	5.224	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@@H](C)C3)[C@H]2c2ccco2)cc1	ZINC000009332487	523678134	/nfs/dbraw/zinc/67/81/34/523678134.db2.gz	PMKHIXTVTHTQKW-IVCQMTBJSA-N	0	0	428.488	5.355	50	30		IKEARN
CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O	ZINC000001461726	523739253	/nfs/dbraw/zinc/73/92/53/523739253.db2.gz	ANDLIIJVOZICIW-UHFFFAOYSA-N	0	0	431.507	5.448	50	30		IKEARN
CCc1ccc(/N=C2/S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1	ZINC000012467282	523874733	/nfs/dbraw/zinc/87/47/33/523874733.db2.gz	AINQTJXLCMPTIW-RWBSCQHUSA-N	0	0	428.557	6.062	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002082237	523876366	/nfs/dbraw/zinc/87/63/66/523876366.db2.gz	OMVXEYJMJIXGKS-JTUXUYRKSA-N	0	0	432.614	6.990	50	30		IKEARN
CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1	ZINC000021355744	523972788	/nfs/dbraw/zinc/97/27/88/523972788.db2.gz	XFARLUOGFIBODQ-MHZLTWQESA-N	0	0	441.531	5.461	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1	ZINC000035982121	524006502	/nfs/dbraw/zinc/00/65/02/524006502.db2.gz	QHSIPLRFUZZWRP-CQSIOLINSA-N	0	0	431.532	5.096	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000035817501	524006826	/nfs/dbraw/zinc/00/68/26/524006826.db2.gz	JESQQNXVXJKARR-CQSIOLINSA-N	0	0	433.523	5.529	50	30		IKEARN
CN(C)C(=O)Oc1cccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c1	ZINC000001004226	524008223	/nfs/dbraw/zinc/00/82/23/524008223.db2.gz	KKWOYVBXBGCBGL-UHFFFAOYSA-N	0	0	437.536	5.147	50	30		IKEARN
CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@@H](C)c2ccccc2)cc1	ZINC000012749584	524008374	/nfs/dbraw/zinc/00/83/74/524008374.db2.gz	ZLBDBWDRDPLGIC-SFHVURJKSA-N	0	0	441.560	5.447	50	30		IKEARN
CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000008435196	524032037	/nfs/dbraw/zinc/03/20/37/524032037.db2.gz	LEGFWWCGZGFWME-CCSRSWJSSA-N	0	0	449.988	6.519	50	30		IKEARN
CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc(C(F)(F)F)nc2ccccc21	ZINC000012562411	524034256	/nfs/dbraw/zinc/03/42/56/524034256.db2.gz	CSUGHDSBSCHVAU-UNOMPAQXSA-N	0	0	443.494	5.621	50	30		IKEARN
CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1	ZINC000064874159	524052597	/nfs/dbraw/zinc/05/25/97/524052597.db2.gz	DTDXSJZCBRQEGY-QHCPKHFHSA-N	0	0	446.938	5.373	50	30		IKEARN
CCc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1	ZINC000064873996	524052616	/nfs/dbraw/zinc/05/26/16/524052616.db2.gz	UWEGGUDNYVHHRN-DEOSSOPVSA-N	0	0	440.547	5.356	50	30		IKEARN
CCc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984409	524071368	/nfs/dbraw/zinc/07/13/68/524071368.db2.gz	GPBLXYXBFOJHNS-UHFFFAOYSA-N	0	0	435.520	5.655	50	30		IKEARN
CNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccc(OC)cc1	ZINC000021722388	524077094	/nfs/dbraw/zinc/07/70/94/524077094.db2.gz	UPRZMAGQQCKCLP-CRICUBBOSA-N	0	0	443.503	5.002	50	30		IKEARN
CNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1	ZINC000021722386	524077115	/nfs/dbraw/zinc/07/71/15/524077115.db2.gz	UPRZMAGQQCKCLP-NSYGIPOTSA-N	0	0	443.503	5.002	50	30		IKEARN
Cc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1	ZINC000002166306	524086352	/nfs/dbraw/zinc/08/63/52/524086352.db2.gz	ZUXCKQDXJCPZCG-CCVNUDIWSA-N	0	0	447.321	8.121	50	30		IKEARN
COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008857108	524109236	/nfs/dbraw/zinc/10/92/36/524109236.db2.gz	CTIPLYGVRCKMJB-SXWXDVRUSA-N	0	0	431.488	5.157	50	30		IKEARN
COc1ccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3cccc(Cl)c3)c2C)cc1	ZINC000035843373	524110454	/nfs/dbraw/zinc/11/04/54/524110454.db2.gz	BRZJRBPXCAOGQS-CEUNXORHSA-N	0	0	444.962	7.056	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2C)cc1	ZINC000008439399	524110677	/nfs/dbraw/zinc/11/06/77/524110677.db2.gz	OBYCXPGPWMCKQI-RUZDIDTESA-N	0	0	445.559	5.351	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O	ZINC000013568530	524130804	/nfs/dbraw/zinc/13/08/04/524130804.db2.gz	LXXCBZMSVOQMKD-MQNRADLISA-N	0	0	446.934	6.034	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O	ZINC000013568532	524130858	/nfs/dbraw/zinc/13/08/58/524130858.db2.gz	LXXCBZMSVOQMKD-BZQUYTCOSA-N	0	0	446.934	6.034	50	30		IKEARN
Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1	ZINC000013284017	524144223	/nfs/dbraw/zinc/14/42/23/524144223.db2.gz	YUAKGFDGJYFRRK-UHFFFAOYSA-N	0	0	425.863	6.233	50	30		IKEARN
Cc1cccc(/C=C\C(=O)c2c(=O)n(C(C)C)c3ccccc3c2-c2ccc(Cl)cc2)c1	ZINC000222335425	524152769	/nfs/dbraw/zinc/15/27/69/524152769.db2.gz	PSBSCCSRGOWPKJ-WJDWOHSUSA-N	0	0	441.958	7.107	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000001434743	524172816	/nfs/dbraw/zinc/17/28/16/524172816.db2.gz	CAMUSSBJXLSYGW-WXTAPIANSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1OC	ZINC000000709515	524186649	/nfs/dbraw/zinc/18/66/49/524186649.db2.gz	OJVSDPMGDOHGSH-WXTAPIANSA-N	0	0	426.516	5.683	50	30		IKEARN
Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000021356346	524190118	/nfs/dbraw/zinc/19/01/18/524190118.db2.gz	BVYIGKSZOMPRNC-RUZDIDTESA-N	0	0	448.544	5.266	50	30		IKEARN
Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1	ZINC000008384604	524212417	/nfs/dbraw/zinc/21/24/17/524212417.db2.gz	OQZASONRRBHPCD-GMQQYTKMSA-N	0	0	429.523	5.588	50	30		IKEARN
Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1c(Cl)n(C)nc1C(F)(F)F	ZINC000020615360	524228676	/nfs/dbraw/zinc/22/86/76/524228676.db2.gz	PCABFJHFGNOOSK-KVSWJAHQSA-N	0	0	435.921	6.619	50	30		IKEARN
Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1	ZINC000252679493	524242765	/nfs/dbraw/zinc/24/27/65/524242765.db2.gz	NIUOLHPWJOKCPA-QYWGPUAJSA-N	0	0	446.506	6.252	50	30		IKEARN
COc1cccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/OC(C)=O)oc21	ZINC000067350844	524255115	/nfs/dbraw/zinc/25/51/15/524255115.db2.gz	GPEMBOVLYMUNRS-GFMRDNFCSA-N	0	0	426.881	5.264	50	30		IKEARN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1	ZINC000002181380	524282733	/nfs/dbraw/zinc/28/27/33/524282733.db2.gz	MACBUBYXLZAEDI-LGJNPRDNSA-N	0	0	449.576	6.534	50	30		IKEARN
COc1ccccc1-c1nnc(S[C@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000009127077	524292317	/nfs/dbraw/zinc/29/23/17/524292317.db2.gz	PBRUGJDPXMVVSU-FQEVSTJZSA-N	0	0	446.963	5.823	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21	ZINC000020683596	524299502	/nfs/dbraw/zinc/29/95/02/524299502.db2.gz	KHZHNLYHGABBRR-XBJXUOPSSA-N	0	0	446.576	5.050	50	30		IKEARN
COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1S[C@H](C)C#N	ZINC000009209122	524299686	/nfs/dbraw/zinc/29/96/86/524299686.db2.gz	BLQNXUMHAQWJRA-GOSISDBHSA-N	0	0	442.544	5.526	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21	ZINC000020683612	524299803	/nfs/dbraw/zinc/29/98/03/524299803.db2.gz	KHZHNLYHGABBRR-NVVXQYLJSA-N	0	0	446.576	5.050	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2cc(OCc3c(F)cccc3Cl)ccc2C1=O	ZINC000002411656	524317652	/nfs/dbraw/zinc/31/76/52/524317652.db2.gz	QBXJVZOFNGZRQZ-MBUAGSHXSA-N	0	0	436.866	6.239	50	30		IKEARN
C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	ZINC000328596700	524325707	/nfs/dbraw/zinc/32/57/07/524325707.db2.gz	QKPPTHHBOPUPFY-ZDUSSCGKSA-N	0	0	426.423	5.151	50	30		IKEARN
Cc1cc(C)c(S(=O)(=O)Oc2ccc(/C=N/c3cccc(C(F)(F)F)c3)cc2)c(C)c1	ZINC000025559054	524326818	/nfs/dbraw/zinc/32/68/18/524326818.db2.gz	YHTJQMJJLBOWDZ-MZJWZYIUSA-N	0	0	447.478	6.149	50	30		IKEARN
COc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1OC	ZINC000001235766	524328001	/nfs/dbraw/zinc/32/80/01/524328001.db2.gz	KPNMKLBBPBUSOP-YWROOUKNSA-N	0	0	432.501	5.218	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)c1	ZINC000020132693	524409664	/nfs/dbraw/zinc/40/96/64/524409664.db2.gz	AVHJOCWMEUDNDD-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)c1	ZINC000021722336	524427856	/nfs/dbraw/zinc/42/78/56/524427856.db2.gz	TVHYJLMBXAXXSD-RUZDIDTESA-N	0	0	443.572	6.577	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1	ZINC000020558776	524486340	/nfs/dbraw/zinc/48/63/40/524486340.db2.gz	LYIWTAALJKVTCE-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1	ZINC000020575671	524486725	/nfs/dbraw/zinc/48/67/25/524486725.db2.gz	DMUHXMDTHMGMTA-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843466	524492275	/nfs/dbraw/zinc/49/22/75/524492275.db2.gz	KSAVSOGBECVXDD-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
Cc1cccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1	ZINC000020575726	524529286	/nfs/dbraw/zinc/52/92/86/524529286.db2.gz	LHZZYHSNRRJNJX-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(F)cc2)c1	ZINC000013286051	524532269	/nfs/dbraw/zinc/53/22/69/524532269.db2.gz	XGHFKLYZRCEBSE-NPGCFZLRSA-N	0	0	447.560	6.313	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)c1	ZINC000013286048	524532330	/nfs/dbraw/zinc/53/23/30/524532330.db2.gz	UTIRDWYKPIHXFQ-SLJQUXCSSA-N	0	0	443.597	6.482	50	30		IKEARN
COc1ccc(NC(=O)ONC(=N)c2ccc(Oc3c(Cl)cncc3Cl)cc2)cc1	ZINC000012369963	524580960	/nfs/dbraw/zinc/58/09/60/524580960.db2.gz	VZQLOEJGSDZCBV-UHFFFAOYSA-N	0	0	447.278	5.058	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@@H]2c2cccs2)n1	ZINC000001051195	524582054	/nfs/dbraw/zinc/58/20/54/524582054.db2.gz	IYRMYBMNAPPNAO-UPCLLVRISA-N	0	0	445.544	5.045	50	30		IKEARN
Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1C	ZINC000021722317	524628818	/nfs/dbraw/zinc/62/88/18/524628818.db2.gz	FXWOBPGWIFFPJH-RUZDIDTESA-N	0	0	427.504	6.109	50	30		IKEARN
COc1ccc(NC(=S)N/N=C2\CC3(CCCCC3)Oc3ccc(O)cc32)cc1Cl	ZINC000020682677	524665938	/nfs/dbraw/zinc/66/59/38/524665938.db2.gz	LNDRBEJEUWDKGB-XIEYBQDHSA-N	0	0	445.972	5.230	50	30		IKEARN
Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)o1	ZINC000013548723	524719637	/nfs/dbraw/zinc/71/96/37/524719637.db2.gz	BFHPEEGDNAPDDT-YBFXNURJSA-N	0	0	429.328	6.453	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2	ZINC000001430774	524748693	/nfs/dbraw/zinc/74/86/93/524748693.db2.gz	OVFUNMHMPDLFNT-KRWDZBQOSA-N	0	0	432.545	5.035	50	30		IKEARN
COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000000861342	524761904	/nfs/dbraw/zinc/76/19/04/524761904.db2.gz	FAGKBBGHAXKAHP-QUGAMOGWSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc(OC)c(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c1	ZINC000012572556	524800259	/nfs/dbraw/zinc/80/02/59/524800259.db2.gz	UFYBMNAMROTYCB-XYOKQWHBSA-N	0	0	445.902	5.762	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1	ZINC000000781599	524805476	/nfs/dbraw/zinc/80/54/76/524805476.db2.gz	CPBIHIHWHZSILW-GYCJOSAFSA-N	0	0	437.561	5.070	50	30		IKEARN
Cc1cccc(S/C(=N/S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1	ZINC000000715316	524810136	/nfs/dbraw/zinc/81/01/36/524810136.db2.gz	BOFUPXFEXBFWCH-LSDHQDQOSA-N	0	0	446.391	5.685	50	30		IKEARN
COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000000861343	524819129	/nfs/dbraw/zinc/81/91/29/524819129.db2.gz	FAGKBBGHAXKAHP-WGDIFIGCSA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)Cc1ccccc1	ZINC000039425545	524878302	/nfs/dbraw/zinc/87/83/02/524878302.db2.gz	ZCWUACZQDIUOPI-KGENOOAVSA-N	0	0	426.007	5.044	50	30		IKEARN
Cc1cccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)c1	ZINC000001429562	524886815	/nfs/dbraw/zinc/88/68/15/524886815.db2.gz	QTVPNSUSRZFCHD-LJQANCHMSA-N	0	0	444.600	5.971	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)c1	ZINC000013568519	524912302	/nfs/dbraw/zinc/91/23/02/524912302.db2.gz	SYCGTWZEFYLLFC-LAUBAEHRSA-N	0	0	433.548	5.006	50	30		IKEARN
COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(Cl)c(Cl)c1	ZINC000078549521	524978243	/nfs/dbraw/zinc/97/82/43/524978243.db2.gz	FEEPHGRPKJSATG-INIZCTEOSA-N	0	0	443.334	5.051	50	30		IKEARN
COc1ccc(Oc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1	ZINC000015979816	524992654	/nfs/dbraw/zinc/99/26/54/524992654.db2.gz	QCEZYIGCIVTCMK-WTDSWWLTSA-N	0	0	444.270	6.599	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)nc1	ZINC000018206099	525021214	/nfs/dbraw/zinc/02/12/14/525021214.db2.gz	CYCYNJMNVMKCRD-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C	ZINC000021722288	525148785	/nfs/dbraw/zinc/14/87/85/525148785.db2.gz	FCKGNHMEIJGGMQ-VWLOTQADSA-N	0	0	427.504	6.109	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000019762478	525218797	/nfs/dbraw/zinc/21/87/97/525218797.db2.gz	ZWMDYDWSLZDAAN-CJFMBICVSA-N	0	0	431.532	5.008	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1	ZINC000000812876	525230027	/nfs/dbraw/zinc/23/00/27/525230027.db2.gz	NKZJACGFXGJYRH-MYUZEXMDSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC	ZINC000000709670	525231317	/nfs/dbraw/zinc/23/13/17/525231317.db2.gz	BMGCNEXJQXCUPY-HFJWLAOPSA-N	0	0	427.504	5.078	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1C(F)(F)F	ZINC000012785429	525252953	/nfs/dbraw/zinc/25/29/53/525252953.db2.gz	XORKWXRUEGMXBP-UHFFFAOYSA-N	0	0	431.311	5.610	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)cc1	ZINC000064874116	525254775	/nfs/dbraw/zinc/25/47/75/525254775.db2.gz	CSJKXBYZKGQKTB-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(F)cc2)cc1	ZINC000064873970	525255854	/nfs/dbraw/zinc/25/58/54/525255854.db2.gz	ICOLSOBTVNBSDX-HSZRJFAPSA-N	0	0	444.510	5.241	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(F)c(F)c2)cc1C	ZINC000064775613	525256119	/nfs/dbraw/zinc/25/61/19/525256119.db2.gz	ABERDVLOSHBRIR-QHCPKHFHSA-N	0	0	448.473	5.052	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)cc1	ZINC000064874114	525256321	/nfs/dbraw/zinc/25/63/21/525256321.db2.gz	CSJKXBYZKGQKTB-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1cccc(Cl)c1	ZINC000064874261	525264329	/nfs/dbraw/zinc/26/43/29/525264329.db2.gz	MELTVQQZSJJIPE-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc(NC(=S)C2=C(NCCc3c[nH]c4ccccc34)CC(C)(C)CC2=O)cc1C	ZINC000019727921	525265090	/nfs/dbraw/zinc/26/50/90/525265090.db2.gz	DEQZFNCOOQPLOZ-UHFFFAOYSA-N	0	0	445.632	6.000	50	30		IKEARN
Cc1ccc(NC2=C(C(=O)c3ccccc3)[C@H](c3ccccc3)N(c3ccccn3)C2=O)cc1	ZINC000008407920	525266952	/nfs/dbraw/zinc/26/69/52/525266952.db2.gz	HPJZGHZBCROJNA-MHZLTWQESA-N	0	0	445.522	5.727	50	30		IKEARN
COc1ccc([C@@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020849716	525278715	/nfs/dbraw/zinc/27/87/15/525278715.db2.gz	JDILMGGGTVZLCL-FQEVSTJZSA-N	0	0	444.491	5.194	50	30		IKEARN
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)c1ccccc1	ZINC000012876932	525350601	/nfs/dbraw/zinc/35/06/01/525350601.db2.gz	RSZHYTMCURJIHZ-FTIQDDARSA-N	0	0	434.576	5.561	50	30	biogenic	IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O	ZINC000252430701	525351769	/nfs/dbraw/zinc/35/17/69/525351769.db2.gz	GAKVNINHIOJQFK-YPNDZAIESA-N	0	0	442.477	6.410	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1	ZINC000018180931	525392794	/nfs/dbraw/zinc/39/27/94/525392794.db2.gz	BNIZRPPVKJKMQP-VWLOTQADSA-N	0	0	448.563	5.503	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC	ZINC000009559907	525395893	/nfs/dbraw/zinc/39/58/93/525395893.db2.gz	GIPWOQUJELTBGT-CZUORRHYSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC	ZINC000000709641	525398176	/nfs/dbraw/zinc/39/81/76/525398176.db2.gz	MTEXHNHGKQLPMQ-DNOBIOAJSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC	ZINC000000883252	525398288	/nfs/dbraw/zinc/39/82/88/525398288.db2.gz	NOHJYOJEXDRYDO-DNOBIOAJSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1	ZINC000102580660	525405122	/nfs/dbraw/zinc/40/51/22/525405122.db2.gz	ALQJVCLZXJUQKW-FQRUVTKNSA-N	0	0	447.534	6.539	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000013568555	525429841	/nfs/dbraw/zinc/42/98/41/525429841.db2.gz	BNQZVNDPPTXWIL-MRDQGFSESA-N	0	0	446.934	6.034	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	ZINC000000708740	525430178	/nfs/dbraw/zinc/43/01/78/525430178.db2.gz	UOVHWDQSTBWHMY-RUZDIDTESA-N	0	0	443.543	6.175	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000001217704	525430531	/nfs/dbraw/zinc/43/05/31/525430531.db2.gz	PIKWZUCRTCRENM-HFJWLAOPSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1OC	ZINC000000815912	525431106	/nfs/dbraw/zinc/43/11/06/525431106.db2.gz	AVDNCSPUPQTZCG-PIIWDFAUSA-N	0	0	440.543	5.992	50	30		IKEARN
Cc1ccc(OCc2nnc(SCc3cccc(C#N)c3)n2Cc2ccccc2)cc1C	ZINC000016286137	525453445	/nfs/dbraw/zinc/45/34/45/525453445.db2.gz	MEPSJATUVICICD-UHFFFAOYSA-N	0	0	440.572	5.686	50	30		IKEARN
Cc1ccc(Oc2ccc(NC(=O)C3CCN(/C=C/C(=O)C(F)(F)F)CC3)cc2)cc1	ZINC000015980727	525474223	/nfs/dbraw/zinc/47/42/23/525474223.db2.gz	YDXBKJUYNZEAEG-NTCAYCPXSA-N	0	0	432.442	5.083	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C(Nc2ccccc2)c2ccccc2Br)cc1	ZINC000018029419	525480474	/nfs/dbraw/zinc/48/04/74/525480474.db2.gz	DNWCEZSQAPLOIB-UHFFFAOYSA-N	0	0	429.339	5.005	50	30		IKEARN
Cc1ccc(S(=O)(=O)CC/C(=N\OCc2cccc(F)c2)c2ccc(Cl)cc2)cc1	ZINC000012954924	525485500	/nfs/dbraw/zinc/48/55/00/525485500.db2.gz	UTYPQGKECHOHSU-WNAAXNPUSA-N	0	0	445.943	5.572	50	30		IKEARN
COc1ccc2c(c1)/C(=N/NC(=S)Nc1ccc(Oc3ccccc3)cc1)CC(C)(C)O2	ZINC000020683591	525505421	/nfs/dbraw/zinc/50/54/21/525505421.db2.gz	JZRJFUMRKWZZJP-HPNDGRJYSA-N	0	0	447.560	5.739	50	30		IKEARN
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@@H](c3ccc(Br)cc3)[C@@H]1CC2	ZINC000018127943	525507908	/nfs/dbraw/zinc/50/79/08/525507908.db2.gz	WORYLAZEPKLIAL-GLKBCMMNSA-N	0	0	439.353	5.274	50	30		IKEARN
Cc1c(/N=C/c2ccccc2OC(=O)c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C	ZINC000002262606	525520946	/nfs/dbraw/zinc/52/09/46/525520946.db2.gz	OZAUPUPIKGQSNL-JVWAILMASA-N	0	0	445.906	5.108	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000013591034	525521405	/nfs/dbraw/zinc/52/14/05/525521405.db2.gz	DHWCOHRLBXKPKB-DHRITJCHSA-N	0	0	426.303	5.802	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000252448901	525532778	/nfs/dbraw/zinc/53/27/78/525532778.db2.gz	SDYMIDMUFXWPCF-RLQYWUBHSA-N	0	0	438.514	6.415	50	30		IKEARN
Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C	ZINC000021722820	525561401	/nfs/dbraw/zinc/56/14/01/525561401.db2.gz	AGQWWMJHABFVAB-VWLOTQADSA-N	0	0	448.544	5.266	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2	ZINC000009312173	525591215	/nfs/dbraw/zinc/59/12/15/525591215.db2.gz	UOSHNJLDXINYON-JOCHJYFZSA-N	0	0	441.369	5.993	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4)ccc3C1=O)cn2C	ZINC000009422281	525600337	/nfs/dbraw/zinc/60/03/37/525600337.db2.gz	MNFBGVXLSMDJHY-WYMPLXKRSA-N	0	0	425.440	5.022	50	30		IKEARN
Cc1ccc(-c2c3c4c(sc3nc3c2C[C@](C#N)(c2ccccc2)CC3)CCCC4)cc1	ZINC000009512366	525712857	/nfs/dbraw/zinc/71/28/57/525712857.db2.gz	HKDACAUNLZMPAN-GDLZYMKVSA-N	0	0	434.608	7.101	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c3ccccc3n2)c(C)c1	ZINC000013002439	525728343	/nfs/dbraw/zinc/72/83/43/525728343.db2.gz	WOOPKQGSYATLQV-UHFFFAOYSA-N	0	0	441.531	5.018	50	30		IKEARN
Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)o2)cc1Cl	ZINC000012284811	525742047	/nfs/dbraw/zinc/74/20/47/525742047.db2.gz	SODJNMUBRYUUIM-VQHVLOKHSA-N	0	0	437.322	8.026	50	30		IKEARN
COc1cccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1	ZINC000049538701	525761118	/nfs/dbraw/zinc/76/11/18/525761118.db2.gz	PWWXUHILWSNGJC-UYRXBGFRSA-N	0	0	444.487	5.021	50	30		IKEARN
COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c1OC	ZINC000020650982	525767003	/nfs/dbraw/zinc/76/70/03/525767003.db2.gz	UQNYGRMLIMRYTC-FMCGGJTJSA-N	0	0	439.552	5.140	50	30		IKEARN
COc1cccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1OC	ZINC000009215581	525767484	/nfs/dbraw/zinc/76/74/84/525767484.db2.gz	YLWXIYQPGAHYOH-JJFYIABZSA-N	0	0	440.854	5.692	50	30		IKEARN
COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1OC	ZINC000002432929	525768378	/nfs/dbraw/zinc/76/83/78/525768378.db2.gz	NHALFUIWFHBRER-MTJSOVHGSA-N	0	0	436.847	5.193	50	30		IKEARN
COc1cccc(/C=C2\Sc3ccccc3C2=O)c1OCc1ccc(Cl)cc1Cl	ZINC000013590713	525770060	/nfs/dbraw/zinc/77/00/60/525770060.db2.gz	BOLZBKPITIHMJR-NHDPSOOVSA-N	0	0	443.351	6.911	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccccc4Cl)cc3)n2)cc1	ZINC000009925852	525781393	/nfs/dbraw/zinc/78/13/93/525781393.db2.gz	CZPMPYCAHRLXGE-VULFUBBASA-N	0	0	447.947	6.437	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1	ZINC000064874081	525792170	/nfs/dbraw/zinc/79/21/70/525792170.db2.gz	XQSGFJVHESHMTG-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccsc1/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000012955559	525817115	/nfs/dbraw/zinc/81/71/15/525817115.db2.gz	HKTBNOQEZATRBJ-GJISQHIDSA-N	0	0	442.967	7.914	50	30		IKEARN
Cc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1C	ZINC000003066536	525823567	/nfs/dbraw/zinc/82/35/67/525823567.db2.gz	UMWQPQQYVDAXMW-UXHLAJHPSA-N	0	0	432.523	7.441	50	30		IKEARN
Cc1ccsc1[C@@H]1c2c(C)nn(-c3cccc(Cl)c3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000014361057	525885550	/nfs/dbraw/zinc/88/55/50/525885550.db2.gz	CTAKUWBJEVMYHL-OAQYLSRUSA-N	0	0	437.996	6.405	50	30		IKEARN
Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccc(Cl)cc2)CCCC4)cc1	ZINC000012650497	525893565	/nfs/dbraw/zinc/89/35/65/525893565.db2.gz	XDMNSWDLCWHEDU-VULFUBBASA-N	0	0	448.979	5.734	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000253497761	525914067	/nfs/dbraw/zinc/91/40/67/525914067.db2.gz	ANTLLZHQDMIOLB-YXKQFYMKSA-N	0	0	447.446	6.959	50	30	biogenic	IKEARN
C[C@@H](O[C@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000089224316	525915813	/nfs/dbraw/zinc/91/58/13/525915813.db2.gz	AFBDSAJOMZYQAI-CNOZUTPLSA-N	0	0	437.355	5.628	50	30	world	IKEARN
Cc1c2c(ccc1OC(=O)c1ccc(Cl)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009420958	525932279	/nfs/dbraw/zinc/93/22/79/525932279.db2.gz	XZAFPBFHOUMQDZ-YDZHTSKRSA-N	0	0	443.886	5.976	50	30		IKEARN
Cc1c2c(ccc1OCc1cccc(Cl)c1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422246	525935085	/nfs/dbraw/zinc/93/50/85/525935085.db2.gz	IONAXSZBJDZEKE-ZMOGYAJESA-N	0	0	429.903	6.335	50	30		IKEARN
Cc1c2c(ccc1OCc1c(F)cccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422345	525935196	/nfs/dbraw/zinc/93/51/96/525935196.db2.gz	SKHUFRCZPOGCOW-WYMPLXKRSA-N	0	0	447.893	6.474	50	30		IKEARN
Cc1ccc(/C(CC23CC4CC(C2)CC(C/C(=N/O)c2ccc(C)s2)(C4)C3)=N\O)s1	ZINC000013756561	525941734	/nfs/dbraw/zinc/94/17/34/525941734.db2.gz	QXSANBYNEGSURI-DQIQZUARSA-N	0	0	442.650	6.850	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102860209	525945216	/nfs/dbraw/zinc/94/52/16/525945216.db2.gz	LSMHGTKATUANNY-ZHHPLPSFSA-N	0	0	429.516	5.507	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1	ZINC000009283055	525970469	/nfs/dbraw/zinc/97/04/69/525970469.db2.gz	UPLFVCCMLNRHSE-LDADJPATSA-N	0	0	426.950	6.284	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4cccc(F)c4)nn32)cc1	ZINC000020850490	525987160	/nfs/dbraw/zinc/98/71/60/525987160.db2.gz	FCTGPFJVYUOKLL-QFIPXVFZSA-N	0	0	448.567	5.676	50	30		IKEARN
C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000021683167	526008602	/nfs/dbraw/zinc/00/86/02/526008602.db2.gz	OAIWNGQUWHMHFK-HNNXBMFYSA-N	0	0	426.592	5.091	50	30		IKEARN
Cc1ccc(C(=O)/C=C/c2ccc(COc3ccc(Br)cc3Cl)o2)cc1	ZINC000020602398	526015161	/nfs/dbraw/zinc/01/51/61/526015161.db2.gz	RIWKCTSTNKQPIB-MDZDMXLPSA-N	0	0	431.713	6.479	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1[N+](=O)[O-]	ZINC000000861114	526043357	/nfs/dbraw/zinc/04/33/57/526043357.db2.gz	MBGAFOVYUZEWKC-NIYFSFCBSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1cc(/C=C2\CC/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)c(C)n1-c1ccccc1	ZINC000004762428	526091679	/nfs/dbraw/zinc/09/16/79/526091679.db2.gz	RPBOEZYGGFKWQO-FQHZWJPGSA-N	0	0	446.594	7.332	50	30		IKEARN
CSc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000021722932	526125382	/nfs/dbraw/zinc/12/53/82/526125382.db2.gz	RAKVWSBFRPGOKR-DEOSSOPVSA-N	0	0	445.544	6.214	50	30		IKEARN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012652104	526143526	/nfs/dbraw/zinc/14/35/26/526143526.db2.gz	IMIYEASXSPIHHA-SANMLTNESA-N	0	0	442.946	6.469	50	30		IKEARN
Cc1cc(C(=O)CSc2nc(CCc3ccccc3)c3c(c2C#N)CCCC3)c(C)n1C	ZINC000012635193	526214914	/nfs/dbraw/zinc/21/49/14/526214914.db2.gz	UOQGWCMGHZOHRI-UHFFFAOYSA-N	0	0	443.616	5.548	50	30		IKEARN
CSc1nc2ccc(/N=C/c3ccc(Sc4nccn4C)c([N+](=O)[O-])c3)cc2s1	ZINC000012428204	526216489	/nfs/dbraw/zinc/21/64/89/526216489.db2.gz	MJVRWGWESRIFNK-SRZZPIQSSA-N	0	0	441.563	5.562	50	30		IKEARN
COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O	ZINC000011869604	526218747	/nfs/dbraw/zinc/21/87/47/526218747.db2.gz	DQKAQYMMVPTNJI-ZLBXDVNXSA-N	0	0	428.440	5.095	50	30	biogenic	IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1	ZINC000036611369	526225717	/nfs/dbraw/zinc/22/57/17/526225717.db2.gz	XOTQPZVNMUSSJI-SSDVNMTOSA-N	0	0	428.901	5.276	50	30		IKEARN
Cc1ccc(C(=O)[C@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000035489179	526241940	/nfs/dbraw/zinc/24/19/40/526241940.db2.gz	LATHMBIBTZXTOU-WEWMWRJBSA-N	0	0	433.486	5.544	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000009043174	526268512	/nfs/dbraw/zinc/26/85/12/526268512.db2.gz	XMCCXPYRDDZXTN-HXUWFJFHSA-N	0	0	439.298	5.167	50	30		IKEARN
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1	ZINC000048365397	526276777	/nfs/dbraw/zinc/27/67/77/526276777.db2.gz	HGOTYGPFFGWLBC-UHFFFAOYSA-N	0	0	435.959	5.250	50	30		IKEARN
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	ZINC000032908836	526277343	/nfs/dbraw/zinc/27/73/43/526277343.db2.gz	QKBNZFTXLSETMI-UHFFFAOYSA-N	0	0	430.596	5.453	50	30		IKEARN
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1/N=C1\SCC(=O)N1CC(C)C	ZINC000017094367	526290363	/nfs/dbraw/zinc/29/03/63/526290363.db2.gz	XOHCADDXOGODKQ-QOCHGBHMSA-N	0	0	425.385	5.074	50	30		IKEARN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000012652126	526300657	/nfs/dbraw/zinc/30/06/57/526300657.db2.gz	BGINIRZEPREMEX-RUZDIDTESA-N	0	0	434.967	6.427	50	30		IKEARN
Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1ccc(-c2nc3ccccc3s2)o1	ZINC000012684775	526314956	/nfs/dbraw/zinc/31/49/56/526314956.db2.gz	DTOKKZMWUMFVAG-ACCUITESSA-N	0	0	438.512	5.900	50	30		IKEARN
O=C(C=C=CCSc1nnc(-c2cccc3ccccc32)o1)c1ccc([N+](=O)[O-])cc1	ZINC000010034869	526319563	/nfs/dbraw/zinc/31/95/63/526319563.db2.gz	KGTSMVUHXKZJHA-UHFFFAOYSA-N	0	0	429.457	5.167	50	30		IKEARN
Fc1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(N3CCCCC3)n2)cc1	ZINC000008397357	526355417	/nfs/dbraw/zinc/35/54/17/526355417.db2.gz	YAMFACUMKIPIEB-WPWMEQJKSA-N	0	0	441.514	5.344	50	30		IKEARN
Oc1ccccc1CN=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1	ZINC000013304963	526369961	/nfs/dbraw/zinc/36/99/61/526369961.db2.gz	JPGWXONZVVNIMI-MFKUBSTISA-N	0	0	445.320	5.725	50	30		IKEARN
Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@H]12	ZINC000012375287	526369975	/nfs/dbraw/zinc/36/99/75/526369975.db2.gz	PPJFANUQDXSZTQ-WUVSORNESA-N	0	0	426.516	5.656	50	30		IKEARN
O=C(O/N=C/c1c(F)cccc1Cl)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F	ZINC000002153091	526414400	/nfs/dbraw/zinc/41/44/00/526414400.db2.gz	COJVDNDPUVWPDH-JQAMDZJQSA-N	0	0	446.187	5.528	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2cccs2)N2C=Cc3ccccc3[C@H]21	ZINC000020507154	526429692	/nfs/dbraw/zinc/42/96/92/526429692.db2.gz	KHTWMFGHUATBSM-ZDXQCDESSA-N	0	0	425.488	5.297	50	30		IKEARN
N#CC1(C#N)[C@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21	ZINC000020814322	526430709	/nfs/dbraw/zinc/43/07/09/526430709.db2.gz	QZNUVBSFMIMCKU-AKFKNWHVSA-N	0	0	425.488	5.297	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000008926469	526431014	/nfs/dbraw/zinc/43/10/14/526431014.db2.gz	OXCIYJZVMDHYKH-SMIHKQSGSA-N	0	0	436.902	5.019	50	30		IKEARN
N#CC1(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)CCCCC1	ZINC000009595412	526437326	/nfs/dbraw/zinc/43/73/26/526437326.db2.gz	AYBXVAAROKKXGP-UHFFFAOYSA-N	0	0	428.608	5.301	50	30		IKEARN
O=C(Oc1ccc(/C=C2/Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl	ZINC000033347588	526438458	/nfs/dbraw/zinc/43/84/58/526438458.db2.gz	FWVAUVWZIOZWNX-RGVLZGJSSA-N	0	0	427.308	6.542	50	30		IKEARN
N#CC1(c2ccccc2)C/C(=C\c2ccccc2Cl)C(=O)/C(=C/c2ccccc2Cl)C1	ZINC000025424860	526439403	/nfs/dbraw/zinc/43/94/03/526439403.db2.gz	UQKCZQYCSDNAOB-NNFYUIBOSA-N	0	0	444.361	7.285	50	30		IKEARN
N#CCC[C@@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1	ZINC000012558062	526465365	/nfs/dbraw/zinc/46/53/65/526465365.db2.gz	WVPXDRSKAKXGGJ-HNNXBMFYSA-N	0	0	432.940	5.605	50	30		IKEARN
N#CCCn1cc(/C=C\C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc21	ZINC000096912765	526465737	/nfs/dbraw/zinc/46/57/37/526465737.db2.gz	NWRWOYNTZGUVHM-DSTYWPJMSA-N	0	0	440.572	5.932	50	30		IKEARN
N#CCCn1cc(/C=C\C(=O)N2CCC(c3nc4ccccc4s3)CC2)c2ccccc21	ZINC000096565413	526466619	/nfs/dbraw/zinc/46/66/19/526466619.db2.gz	DBEBMEDFGOSAFN-KHPPLWFESA-N	0	0	440.572	5.584	50	30		IKEARN
N#CCCn1cc(C(=O)CN2CCC(c3nc4ccccc4s3)CC2)c2ccccc21	ZINC000058173617	526466721	/nfs/dbraw/zinc/46/67/21/526466721.db2.gz	MISHNZJBHMZFAD-UHFFFAOYSA-N	0	0	428.561	5.227	50	30		IKEARN
N#CCCn1cc(/C=C\C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21	ZINC000096578749	526466883	/nfs/dbraw/zinc/46/68/83/526466883.db2.gz	VLEYJOXJXIIDKX-GHYICZDASA-N	0	0	440.572	5.584	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc(Cl)cc1	ZINC000013097502	526467594	/nfs/dbraw/zinc/46/75/94/526467594.db2.gz	SVSLTKPRECYPQG-QHCPKHFHSA-N	0	0	425.923	6.376	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1ccc(Cl)cc1	ZINC000012651179	526467803	/nfs/dbraw/zinc/46/78/03/526467803.db2.gz	RKWYVGHMYSXMJU-UHFFFAOYSA-N	0	0	441.922	6.113	50	30		IKEARN
N#CCN(C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1	ZINC000009466916	526469628	/nfs/dbraw/zinc/46/96/28/526469628.db2.gz	ZLPNTDWTWVILHP-UHFFFAOYSA-N	0	0	436.587	5.516	50	30		IKEARN
N#CCN(Cc1ccccc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S	ZINC000040155488	526471485	/nfs/dbraw/zinc/47/14/85/526471485.db2.gz	CKPNAIBIJUSRSL-UHFFFAOYSA-N	0	0	429.524	5.193	50	30		IKEARN
N#CCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000002634150	526480287	/nfs/dbraw/zinc/48/02/87/526480287.db2.gz	XNUQTMGWQYNWPH-UHFFFAOYSA-N	0	0	429.254	5.876	50	30		IKEARN
N#CCc1ccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c32)cc1	ZINC000012533889	526484680	/nfs/dbraw/zinc/48/46/80/526484680.db2.gz	NNMUUSILSLEVIB-UHFFFAOYSA-N	0	0	447.589	5.062	50	30		IKEARN
N#C[C@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1	ZINC000013148084	526504092	/nfs/dbraw/zinc/50/40/92/526504092.db2.gz	NOZFJVJCQZHKGF-FQEVSTJZSA-N	0	0	434.540	5.558	50	30		IKEARN
N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F	ZINC000001389524	526511356	/nfs/dbraw/zinc/51/13/56/526511356.db2.gz	FGFBGJULTWVNAN-GFCCVEGCSA-N	0	0	426.276	5.231	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2cccs2)nc1SCCN1CCOCC1	ZINC000020814256	526515823	/nfs/dbraw/zinc/51/58/23/526515823.db2.gz	GNONEPDKKDHPSG-UHFFFAOYSA-N	0	0	442.009	5.426	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)NC1CCCCC1	ZINC000016425943	526517025	/nfs/dbraw/zinc/51/70/25/526517025.db2.gz	KTDMLSBJOKKLJV-UHFFFAOYSA-N	0	0	433.499	5.570	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)c2c1CCCC2	ZINC000008986470	526530865	/nfs/dbraw/zinc/53/08/65/526530865.db2.gz	VYSSCQKSSVMKKB-UHFFFAOYSA-N	0	0	431.413	7.160	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(-c2ccccc2)cc1/C=C\c1ccc2c(c1)OCCO2	ZINC000033502839	526533880	/nfs/dbraw/zinc/53/38/80/526533880.db2.gz	OFLWHDSRSVAYBP-BENRWUELSA-N	0	0	429.479	5.968	50	30		IKEARN
N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(Br)cc1	ZINC000033011050	526580815	/nfs/dbraw/zinc/58/08/15/526580815.db2.gz	BUYIABIYSAQWIX-UHFFFAOYSA-N	0	0	442.313	5.253	50	30		IKEARN
N#Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1	ZINC000020523323	526586160	/nfs/dbraw/zinc/58/61/60/526586160.db2.gz	KTLNRAOEESBNJO-VYIQYICTSA-N	0	0	444.288	5.552	50	30		IKEARN
N#Cc1ccc(Cc2cnc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)s2)cc1	ZINC000012783780	526631858	/nfs/dbraw/zinc/63/18/58/526631858.db2.gz	VQLYVLMYKNHZRD-UHFFFAOYSA-N	0	0	444.541	5.172	50	30		IKEARN
O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000012636813	526636904	/nfs/dbraw/zinc/63/69/04/526636904.db2.gz	DSZVJUOPOWGAMO-UHFFFAOYSA-N	0	0	432.295	5.448	50	30		IKEARN
N#Cc1ccc(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)cc1Cl	ZINC000015532690	526653788	/nfs/dbraw/zinc/65/37/88/526653788.db2.gz	PMMJFNTVQOBYMV-UHFFFAOYSA-N	0	0	432.730	5.279	50	30		IKEARN
O=C(c1ccc(C(F)(F)F)c(F)c1)N1CCC(Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000022643283	526663852	/nfs/dbraw/zinc/66/38/52/526663852.db2.gz	LMMMNDPMMLDTEJ-UHFFFAOYSA-N	0	0	433.367	5.958	50	30		IKEARN
N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c(Cl)c1	ZINC000012794739	526671902	/nfs/dbraw/zinc/67/19/02/526671902.db2.gz	XYJNGJYSIGEWFF-LJQANCHMSA-N	0	0	445.862	5.308	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009575285	526676696	/nfs/dbraw/zinc/67/66/96/526676696.db2.gz	SCVOZDPFOPEBOP-ZSEKCTLFSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2	ZINC000033026470	526676819	/nfs/dbraw/zinc/67/68/19/526676819.db2.gz	AKLUZVOIEKVLJU-ASSNKEHSSA-N	0	0	441.314	5.954	50	30		IKEARN
N#Cc1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)o1	ZINC000012469248	526733625	/nfs/dbraw/zinc/73/36/25/526733625.db2.gz	VBNGACPOONQMPX-UCQKPKSFSA-N	0	0	438.533	6.377	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1	ZINC000012691177	526733698	/nfs/dbraw/zinc/73/36/98/526733698.db2.gz	RSQMPSBZZQQTBA-UHFFFAOYSA-N	0	0	433.515	5.462	50	30		IKEARN
N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1	ZINC000015012051	526736605	/nfs/dbraw/zinc/73/66/05/526736605.db2.gz	JNRVANJSPHKXBH-OEAKJJBVSA-N	0	0	442.565	5.539	50	30		IKEARN
N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1	ZINC000012757248	526738620	/nfs/dbraw/zinc/73/86/20/526738620.db2.gz	RGKVPMLJMVKWKK-VQTJNVASSA-N	0	0	435.618	5.491	50	30		IKEARN
N#Cc1ccccc1Cn1c(CN2CCCCC2)nc2scc(-c3cccs3)c2c1=O	ZINC000012865614	526739040	/nfs/dbraw/zinc/73/90/40/526739040.db2.gz	CHHHQMHGNFIRBJ-UHFFFAOYSA-N	0	0	446.601	5.092	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1N1CCCCCC1	ZINC000033324482	526784951	/nfs/dbraw/zinc/78/49/51/526784951.db2.gz	AIRSHBWWRNTJAH-UHFFFAOYSA-N	0	0	442.313	5.528	50	30		IKEARN
O=C(c1cccc2ccccc21)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1	ZINC000012652178	526785024	/nfs/dbraw/zinc/78/50/24/526785024.db2.gz	GRHIJDUPTQCUDF-LJAQVGFWSA-N	0	0	444.534	6.661	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000000669925	526798301	/nfs/dbraw/zinc/79/83/01/526798301.db2.gz	KQWSHJJCECJSCG-RUZDIDTESA-N	0	0	439.471	5.412	50	30		IKEARN
N=C(NOC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(CSc2ccccn2)c1	ZINC000013658418	526810694	/nfs/dbraw/zinc/81/06/94/526810694.db2.gz	YPCLWBRDGHYSAZ-UHFFFAOYSA-N	0	0	432.332	5.158	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccccc1	ZINC000021722024	526827144	/nfs/dbraw/zinc/82/71/44/526827144.db2.gz	BJDHASRHBIEXCH-VWLOTQADSA-N	0	0	429.545	5.367	50	30		IKEARN
Cc1sc2nc(C)nc(S[C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c2c1C	ZINC000022168230	526890547	/nfs/dbraw/zinc/89/05/47/526890547.db2.gz	UYYYFIHBQCNOGK-AWEZNQCLSA-N	0	0	428.558	5.183	50	30		IKEARN
Clc1ccc(-c2nc3cc(N=Cc4cccc(Br)c4)ccc3[nH]2)c(Cl)c1	ZINC000013550458	526936304	/nfs/dbraw/zinc/93/63/04/526936304.db2.gz	YUGJGHIOFVXWQU-BHGWPJFGSA-N	0	0	445.147	7.050	50	30		IKEARN
O=C1/C(=C/c2c[nH]c3ccc(Br)cc23)S/C(=N\c2ccccc2)N1C1CC1	ZINC000008497079	526938566	/nfs/dbraw/zinc/93/85/66/526938566.db2.gz	IJCKTLPHKMQYDC-XUYYCWMVSA-N	0	0	438.350	5.697	50	30		IKEARN
Clc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(Cl)c1	ZINC000008934990	526938512	/nfs/dbraw/zinc/93/85/12/526938512.db2.gz	BLTRMNJIPYPTKN-DNTJNYDQSA-N	0	0	427.154	6.325	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C\c1ccc(Cl)cc1	ZINC000020115393	526939910	/nfs/dbraw/zinc/93/99/10/526939910.db2.gz	OSUWILFLOHLUFU-HOFJZWJUSA-N	0	0	434.366	6.545	50	30		IKEARN
O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000013575678	526940138	/nfs/dbraw/zinc/94/01/38/526940138.db2.gz	JSBIVTUUISRGHS-CPFLNSBHSA-N	0	0	445.456	5.132	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000013550173	526940411	/nfs/dbraw/zinc/94/04/11/526940411.db2.gz	CGSSCFISYSKLIY-NJMAKWBESA-N	0	0	435.892	6.057	50	30		IKEARN
O=C1C(=NNc2ccccc2)c2cc(Cl)ccc2N1Cc1cccc(C(F)(F)F)c1	ZINC000100327170	526948116	/nfs/dbraw/zinc/94/81/16/526948116.db2.gz	VFLBDEVHPPWTGU-VFCFBJKWSA-N	0	0	429.829	5.722	50	30		IKEARN
O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](c2ccc3c(c2)OCO3)C1	ZINC000020224102	526959780	/nfs/dbraw/zinc/95/97/80/526959780.db2.gz	VACBLZYETQTWCE-QGZVFWFLSA-N	0	0	449.494	5.288	50	30		IKEARN
Clc1ccc(Sc2oc(/C=N/c3ccc4c(c3)OCO4)cc2Br)cc1	ZINC000015227481	526960837	/nfs/dbraw/zinc/96/08/37/526960837.db2.gz	MGUNXPOXDALTPO-ZVBGSRNCSA-N	0	0	436.714	6.326	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2	ZINC000009264145	526966095	/nfs/dbraw/zinc/96/60/95/526966095.db2.gz	YFWSVQLVBLNGDU-AREMUKBSSA-N	0	0	449.381	7.174	50	30		IKEARN
O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)O2	ZINC000001158127	526966468	/nfs/dbraw/zinc/96/64/68/526966468.db2.gz	UMDLNCHRTUPMSS-UHFFFAOYSA-N	0	0	434.919	6.047	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@H](c3ccc(Cl)cc3)C12	ZINC000020135527	526966493	/nfs/dbraw/zinc/96/64/93/526966493.db2.gz	XFVXPCDOBHLLPI-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1	ZINC000009559935	527023279	/nfs/dbraw/zinc/02/32/79/527023279.db2.gz	JUEYCOQFLNHMEV-CVDCTZTESA-N	0	0	427.475	5.622	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196235	527024895	/nfs/dbraw/zinc/02/48/95/527024895.db2.gz	JIBVDMOFOBRWAP-PSLXWICFSA-N	0	0	435.932	6.088	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2	ZINC000000709500	527024971	/nfs/dbraw/zinc/02/49/71/527024971.db2.gz	KMNOZBRXYDIKND-BVZFJXPGSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12	ZINC000009243060	527032103	/nfs/dbraw/zinc/03/21/03/527032103.db2.gz	ZBQOOGVMABWGQS-MZNJEOGPSA-N	0	0	426.907	5.500	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196232	527032445	/nfs/dbraw/zinc/03/24/45/527032445.db2.gz	JIBVDMOFOBRWAP-FATZIPQQSA-N	0	0	435.932	6.088	50	30		IKEARN
O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1	ZINC000009559936	527032649	/nfs/dbraw/zinc/03/26/49/527032649.db2.gz	JUEYCOQFLNHMEV-WMZHIEFXSA-N	0	0	427.475	5.622	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2	ZINC000000709499	527032754	/nfs/dbraw/zinc/03/27/54/527032754.db2.gz	KMNOZBRXYDIKND-IQGLISFBSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095660893	527033398	/nfs/dbraw/zinc/03/33/98/527033398.db2.gz	ALKGBVQDMOFBFB-UHFFFAOYSA-N	0	0	448.310	5.869	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000000729593	527033779	/nfs/dbraw/zinc/03/37/79/527033779.db2.gz	PNGNWPJWZXHUKW-ZLOXQWCVSA-N	0	0	441.383	7.034	50	30		IKEARN
O=C1N(c2cccc(C(F)(F)F)c2)/C(=N/c2cccc(C(F)(F)F)c2)SC12CC2	ZINC000095629524	527039464	/nfs/dbraw/zinc/03/94/64/527039464.db2.gz	MLCRTQZBRKUHCG-QQXSKIMKSA-N	0	0	430.373	6.024	50	30		IKEARN
O=C1c2c(ccc(Br)c2Cl)NC1=CNCc1ccc(Cl)cc1Cl	ZINC000100444444	527119314	/nfs/dbraw/zinc/11/93/14/527119314.db2.gz	KZROVECMBCWBLY-NTUHNPAUSA-N	0	0	432.532	5.649	50	30		IKEARN
O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1c(F)cccc1Cl	ZINC000001861506	527123525	/nfs/dbraw/zinc/12/35/25/527123525.db2.gz	KSPRSBXIRCWOJQ-NHDPSOOVSA-N	0	0	425.799	5.583	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\C=C\c1ccccc1	ZINC000013551152	527124491	/nfs/dbraw/zinc/12/44/91/527124491.db2.gz	DMZXBOSPPFZBPO-KACMKLLYSA-N	0	0	438.888	5.280	50	30		IKEARN
NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1ccc(Cl)c(Cl)c1	ZINC000034769455	527136464	/nfs/dbraw/zinc/13/64/64/527136464.db2.gz	RKEAEUIGQRUTDR-UHFFFAOYSA-N	0	0	436.751	5.487	50	30		IKEARN
O=S(=O)(/N=C/c1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1	ZINC000003028408	527160989	/nfs/dbraw/zinc/16/09/89/527160989.db2.gz	LSAMVLKQPXGBON-ZVHZXABRSA-N	0	0	433.360	5.360	50	30		IKEARN
O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	ZINC000021722354	527200691	/nfs/dbraw/zinc/20/06/91/527200691.db2.gz	UXMJPCZSTGZVAR-QHCPKHFHSA-N	0	0	433.508	6.100	50	30		IKEARN
O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	ZINC000049872331	527244775	/nfs/dbraw/zinc/24/47/75/527244775.db2.gz	XWIMTSBJNRIAGD-UHFFFAOYSA-N	0	0	437.283	5.544	50	30		IKEARN
O=S(=O)(Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1)c1ccccc1	ZINC000014257463	527262069	/nfs/dbraw/zinc/26/20/69/527262069.db2.gz	IDRRGLKPSDHCRX-HZHRSRAPSA-N	0	0	435.530	5.024	50	30		IKEARN
O=[N+]([O-])C(C=Nc1cccc(Br)c1)=CNc1cccc(Br)c1	ZINC000100701493	527318416	/nfs/dbraw/zinc/31/84/16/527318416.db2.gz	UENBASIZYBEXNQ-SUQUQSPJSA-N	0	0	425.080	5.144	50	30		IKEARN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N=NC1c2ccccc2-c2ccccc21	ZINC000012601152	527328069	/nfs/dbraw/zinc/32/80/69/527328069.db2.gz	FPOGTZVZNXREAT-UHFFFAOYSA-N	0	0	428.326	5.367	50	30		IKEARN
O=C(Nc1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1)c1cccs1	ZINC000022879367	527329439	/nfs/dbraw/zinc/32/94/39/527329439.db2.gz	XKNVHVQCPCEXKZ-UHFFFAOYSA-N	0	0	428.538	5.714	50	30		IKEARN
O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000012960310	527343895	/nfs/dbraw/zinc/34/38/95/527343895.db2.gz	NKAJMJNCVXJYNQ-BGEKPKEUSA-N	0	0	436.895	5.852	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1	ZINC000014923660	527359187	/nfs/dbraw/zinc/35/91/87/527359187.db2.gz	AHQRGEMLHBQZBL-WSDLNYQXSA-N	0	0	426.816	5.181	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=N/c2csc3nc(-c4ccccc4)cc(-c4ccccc4)c23)c1	ZINC000101257821	527385236	/nfs/dbraw/zinc/38/52/36/527385236.db2.gz	LQLCVVCYQHQZBQ-JVWAILMASA-N	0	0	435.508	7.289	50	30		IKEARN
O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1	ZINC000012629310	527395251	/nfs/dbraw/zinc/39/52/51/527395251.db2.gz	WMXBFICETBXZPQ-PQHDRGKASA-N	0	0	443.572	5.280	50	30		IKEARN
O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1	ZINC000012629313	527396626	/nfs/dbraw/zinc/39/66/26/527396626.db2.gz	WMXBFICETBXZPQ-WNMDNWPKSA-N	0	0	443.572	5.280	50	30		IKEARN
O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000012959259	527417201	/nfs/dbraw/zinc/41/72/01/527417201.db2.gz	BOZHKOACNZJEFC-GHOZOMOVSA-N	0	0	432.820	5.419	50	30		IKEARN
O=[S@@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1	ZINC000012958198	527425674	/nfs/dbraw/zinc/42/56/74/527425674.db2.gz	SDWYPPGZQZCWFS-NOMMVBCKSA-N	0	0	439.751	5.759	50	30		IKEARN
O=C(N/C=N/OCc1ccc(Cl)cc1Cl)NOCc1ccc(Cl)c(Cl)c1	ZINC000012956289	527434590	/nfs/dbraw/zinc/43/45/90/527434590.db2.gz	DNBSWVAHYWHWHV-UHFFFAOYSA-N	0	0	437.110	5.191	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000012347979	527456054	/nfs/dbraw/zinc/45/60/54/527456054.db2.gz	BLVYYHHPVIVNLD-XMMPIXPASA-N	0	0	433.511	5.397	50	30		IKEARN
O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCCC3	ZINC000008934338	527458849	/nfs/dbraw/zinc/45/88/49/527458849.db2.gz	VEMMUFPKBXYMHM-VULFUBBASA-N	0	0	448.979	5.485	50	30		IKEARN
O=C(CSCc1cc(-c2cccs2)on1)Nc1cccc(NCC(F)(F)F)c1	ZINC000328591396	527504254	/nfs/dbraw/zinc/50/42/54/527504254.db2.gz	BUMVHPKVMVMTSV-UHFFFAOYSA-N	0	0	427.473	5.899	50	30		IKEARN
Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012604540	527528376	/nfs/dbraw/zinc/52/83/76/527528376.db2.gz	ASHLEVLTHOHXEG-XMMPIXPASA-N	0	0	444.554	5.586	50	30		IKEARN
Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012604538	527528953	/nfs/dbraw/zinc/52/89/53/527528953.db2.gz	ASHLEVLTHOHXEG-DEOSSOPVSA-N	0	0	444.554	5.586	50	30		IKEARN
Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000015980928	527530616	/nfs/dbraw/zinc/53/06/16/527530616.db2.gz	YGCOJOQDHKRULJ-NTUHNPAUSA-N	0	0	448.548	5.818	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccco2)nc1-c1ccc(Cl)cc1)c1cccs1	ZINC000016753174	527540016	/nfs/dbraw/zinc/54/00/16/527540016.db2.gz	KRTLQFAQNQYAJJ-SRZZPIQSSA-N	0	0	428.926	5.816	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000013569350	527553642	/nfs/dbraw/zinc/55/36/42/527553642.db2.gz	NJBKABMZUCSEPZ-RXFWQSSRSA-N	0	0	448.526	5.240	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018199727	527553884	/nfs/dbraw/zinc/55/38/84/527553884.db2.gz	VLYFPWGBPONZCI-KOSHJBKYSA-N	0	0	438.556	5.595	50	30		IKEARN
Cc1nn(-c2ccccc2)cc1/C=C1\CC(C)C/C(=C/c2cn(-c3ccccc3)nc2C)C1=O	ZINC000021487132	527557658	/nfs/dbraw/zinc/55/76/58/527557658.db2.gz	PTKFOYVJYITOSK-JVBWRSBESA-N	0	0	448.570	6.141	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21	ZINC000072193906	527596457	/nfs/dbraw/zinc/59/64/57/527596457.db2.gz	IHJRFJPQJFYAPL-IHWZAFJDSA-N	0	0	443.930	5.303	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21	ZINC000072193905	527597333	/nfs/dbraw/zinc/59/73/33/527597333.db2.gz	IHJRFJPQJFYAPL-GMRPVLNISA-N	0	0	443.930	5.303	50	30		IKEARN
O=C(C=CNc1ccc(Cl)cc1F)c1ccc(OCc2c(F)cccc2Cl)cc1	ZINC000100418345	527598602	/nfs/dbraw/zinc/59/86/02/527598602.db2.gz	IAXGGQMDCTZXJU-ZHACJKMWSA-N	0	0	434.269	6.659	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000012566316	527603100	/nfs/dbraw/zinc/60/31/00/527603100.db2.gz	DSJYWMYLPQTSSY-ZRDIBKRKSA-N	0	0	429.928	7.704	50	30		IKEARN
O=C(/C=C/c1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1)c1ccccc1	ZINC000020509962	527612870	/nfs/dbraw/zinc/61/28/70/527612870.db2.gz	YGDXBCKMROYHHD-PQHBRNLVSA-N	0	0	428.535	6.938	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(Cl)cc1C	ZINC000032972576	527628214	/nfs/dbraw/zinc/62/82/14/527628214.db2.gz	BYSVPSBNDAHASN-UHFFFAOYSA-N	0	0	437.975	5.014	50	30		IKEARN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1Cl	ZINC000008438691	527630075	/nfs/dbraw/zinc/63/00/75/527630075.db2.gz	AYRZFHJNKMIXRS-RFAWQRTRSA-N	0	0	429.903	5.518	50	30		IKEARN
O=C(/C=C/c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1	ZINC000097359938	527633484	/nfs/dbraw/zinc/63/34/84/527633484.db2.gz	FCMDBCYIDNQJGM-ZCJKAFFOSA-N	0	0	430.503	7.271	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O	ZINC000009419379	527633868	/nfs/dbraw/zinc/63/38/68/527633868.db2.gz	QTPQJWDEWHKIOE-TXTIWSOFSA-N	0	0	447.284	5.684	50	30		IKEARN
O=C(C=C1NC(c2ccccc2)=C(c2ccccc2)C1=O)c1ccc(Br)cc1	ZINC000002305416	527651567	/nfs/dbraw/zinc/65/15/67/527651567.db2.gz	OAWZWXUFVBUOMH-HKWRFOASSA-N	0	0	430.301	5.257	50	30		IKEARN
O=C(/C=C\c1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000035223389	527655196	/nfs/dbraw/zinc/65/51/96/527655196.db2.gz	RZNXCPVJWOQYTG-WQLSENKSSA-N	0	0	438.376	5.454	50	30		IKEARN
O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)cc1	ZINC000033740032	527656386	/nfs/dbraw/zinc/65/63/86/527656386.db2.gz	WXKQREZLZURXNV-QPEQYQDCSA-N	0	0	439.496	6.099	50	30		IKEARN
O=C(C(=O)c1ccc(C#Cc2ccc(F)cc2)cc1)c1ccc(C#Cc2ccc(F)cc2)cc1	ZINC000002304154	527667491	/nfs/dbraw/zinc/66/74/91/527667491.db2.gz	YRMRMRMSNRNNNK-UHFFFAOYSA-N	0	0	446.452	5.830	50	30		IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccc(C)cc2)CC1	ZINC000005354709	535077812	/nfs/dbraw/zinc/07/78/12/535077812.db2.gz	LKGUWMGDYINCHI-UHFFFAOYSA-N	0	0	437.591	5.645	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000626573	555512930	/nfs/dbraw/zinc/51/29/30/555512930.db2.gz	RTRJDKRKYJMMAP-IBGZPJMESA-N	0	0	432.358	5.005	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000000626970	555512989	/nfs/dbraw/zinc/51/29/89/555512989.db2.gz	YGGFGMYIPDTDLB-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000628604	555513757	/nfs/dbraw/zinc/51/37/57/555513757.db2.gz	ZCQCQARHSHQXHQ-UHFFFAOYSA-N	0	0	449.978	6.573	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000628602	555513783	/nfs/dbraw/zinc/51/37/83/555513783.db2.gz	YHWWFAYHZHMFBP-HSZRJFAPSA-N	0	0	439.939	5.767	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000000630715	555514637	/nfs/dbraw/zinc/51/46/37/555514637.db2.gz	LYLCHAAMYDNCQX-MMTVBGGISA-N	0	0	439.559	5.741	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000000649740	555522477	/nfs/dbraw/zinc/52/24/77/555522477.db2.gz	CUAQGFKCHYSLKC-JOCHJYFZSA-N	0	0	439.353	5.612	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000000666735	555528602	/nfs/dbraw/zinc/52/86/02/555528602.db2.gz	TZHQCUTUDAQUHL-QFQXNSOFSA-N	0	0	445.559	5.256	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl	ZINC000000668370	555529935	/nfs/dbraw/zinc/52/99/35/555529935.db2.gz	BWBNFUAXBGAFBL-HSZRJFAPSA-N	0	0	443.374	6.546	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc([N+](=O)[O-])c1)N2	ZINC000000669927	555530381	/nfs/dbraw/zinc/53/03/81/555530381.db2.gz	KQWSHJJCECJSCG-VWLOTQADSA-N	0	0	439.471	5.412	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1O[C@H](C)CC	ZINC000000671962	555531537	/nfs/dbraw/zinc/53/15/37/555531537.db2.gz	BELHMXOTTYPSEN-DNOBIOAJSA-N	0	0	446.591	6.417	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1	ZINC000000676838	555535202	/nfs/dbraw/zinc/53/52/02/555535202.db2.gz	HTMLOCJJKALHQD-CPJLOUKISA-N	0	0	430.529	5.765	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000000681726	555537418	/nfs/dbraw/zinc/53/74/18/555537418.db2.gz	MWVFFRFOJIOESC-SIBVEZHUSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c[nH]c3ccccc32)cc1	ZINC000000681731	555537431	/nfs/dbraw/zinc/53/74/31/555537431.db2.gz	SGENHWCBNUIGCF-JMQGSBJISA-N	0	0	435.527	6.156	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1	ZINC000000681735	555537463	/nfs/dbraw/zinc/53/74/63/555537463.db2.gz	MNMDEHXZKFJNTK-CRICUBBOSA-N	0	0	443.459	5.108	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000000681724	555537492	/nfs/dbraw/zinc/53/74/92/555537492.db2.gz	MWVFFRFOJIOESC-BCHFMIIMSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000681877	555537707	/nfs/dbraw/zinc/53/77/07/555537707.db2.gz	UNQYSMUMZWEZGU-QYBDOPJKSA-N	0	0	441.487	5.583	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1Cl	ZINC000000682658	555538227	/nfs/dbraw/zinc/53/82/27/555538227.db2.gz	CTZAXLCKRMFICN-HXUWFJFHSA-N	0	0	448.872	6.045	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1Cl	ZINC000000682659	555538231	/nfs/dbraw/zinc/53/82/31/555538231.db2.gz	CTZAXLCKRMFICN-FQEVSTJZSA-N	0	0	448.872	6.045	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	ZINC000000709538	555546412	/nfs/dbraw/zinc/54/64/12/555546412.db2.gz	JQNXMVSIJFLSCI-MMTVBGGISA-N	0	0	440.543	6.073	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)s2)cc1OC	ZINC000000709634	555546426	/nfs/dbraw/zinc/54/64/26/555546426.db2.gz	SQPJLGCMLIETMA-QLXKLKPCSA-N	0	0	446.572	6.053	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC	ZINC000000709516	555546462	/nfs/dbraw/zinc/54/64/62/555546462.db2.gz	OJVSDPMGDOHGSH-QYBDOPJKSA-N	0	0	426.516	5.683	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2	ZINC000000709464	555546494	/nfs/dbraw/zinc/54/64/94/555546494.db2.gz	KFDGLDPNDVLWLR-LMKMVOKYSA-N	0	0	445.906	6.228	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O	ZINC000000709477	555546525	/nfs/dbraw/zinc/54/65/25/555546525.db2.gz	UEXIRONLZCSIGY-XMMPIXPASA-N	0	0	430.504	5.267	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1OC	ZINC000000709517	555546536	/nfs/dbraw/zinc/54/65/36/555546536.db2.gz	OJVSDPMGDOHGSH-HFJWLAOPSA-N	0	0	426.516	5.683	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000709963	555546819	/nfs/dbraw/zinc/54/68/19/555546819.db2.gz	HJCKFKPMUDVFJX-IQGLISFBSA-N	0	0	434.461	6.685	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(O)c2)cc1OC	ZINC000000709640	555546825	/nfs/dbraw/zinc/54/68/25/555546825.db2.gz	MTEXHNHGKQLPMQ-XRHLQHRESA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC	ZINC000000709952	555546850	/nfs/dbraw/zinc/54/68/50/555546850.db2.gz	CCSSORKAWNHSNJ-DNOBIOAJSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC	ZINC000000709673	555546872	/nfs/dbraw/zinc/54/68/72/555546872.db2.gz	BMGCNEXJQXCUPY-DWXRJYCRSA-N	0	0	427.504	5.078	50	30		IKEARN
CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br	ZINC000000710620	555547130	/nfs/dbraw/zinc/54/71/30/555547130.db2.gz	DREGCMXRRNUOIK-XCLFUZPHSA-N	0	0	446.385	5.395	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/c4ccc(OC)c(Br)c4)ccc3o2)cc1	ZINC000000711646	555547473	/nfs/dbraw/zinc/54/74/73/555547473.db2.gz	LUXANNRSYYJYCU-ZMOGYAJESA-N	0	0	437.293	6.025	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O	ZINC000000718068	555549347	/nfs/dbraw/zinc/54/93/47/555549347.db2.gz	LEWZYXRJQLNBGU-AKJBCIBTSA-N	0	0	446.934	6.034	50	30	biogenic,in-vitro	IKEARN
COc1cc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000000718230	555549479	/nfs/dbraw/zinc/54/94/79/555549479.db2.gz	OQNRXDDJICPRGJ-HSZRJFAPSA-N	0	0	430.504	5.134	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c1OC	ZINC000000720131	555549650	/nfs/dbraw/zinc/54/96/50/555549650.db2.gz	SUQRXGNRUNKAAR-OWJWWREXSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12	ZINC000000720842	555549869	/nfs/dbraw/zinc/54/98/69/555549869.db2.gz	HDMIDZMGSQUFQA-ADXZGYQBSA-N	0	0	446.506	6.031	50	30		IKEARN
CCOc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000720755	555549889	/nfs/dbraw/zinc/54/98/89/555549889.db2.gz	ZHVJSRZXIJMSLS-QHCPKHFHSA-N	0	0	440.971	6.283	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O	ZINC000000729455	555552622	/nfs/dbraw/zinc/55/26/22/555552622.db2.gz	GNKHAOYTTTZSRO-BSEYFRJRSA-N	0	0	448.544	5.450	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000752193	555553627	/nfs/dbraw/zinc/55/36/27/555553627.db2.gz	ZCUGSWXAZIKTEJ-QHCPKHFHSA-N	0	0	435.951	5.687	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccsc2)cc1	ZINC000000781162	555555054	/nfs/dbraw/zinc/55/50/54/555555054.db2.gz	PVQUMWOXIGBNQT-QFIPXVFZSA-N	0	0	437.561	5.104	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	ZINC000000781132	555555057	/nfs/dbraw/zinc/55/50/57/555555057.db2.gz	COCBLBSQRYDPIB-XRHLQHRESA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c(OC)c1	ZINC000000781131	555555066	/nfs/dbraw/zinc/55/50/66/555555066.db2.gz	COCBLBSQRYDPIB-MYUZEXMDSA-N	0	0	426.516	5.683	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781255	555555231	/nfs/dbraw/zinc/55/52/31/555555231.db2.gz	LNQPVILKDZBTBG-KSFYIVLOSA-N	0	0	425.525	5.200	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1	ZINC000000805505	555559948	/nfs/dbraw/zinc/55/99/48/555559948.db2.gz	BFLSOFSVIURLKS-NGOKVRLYSA-N	0	0	440.543	6.073	50	30		IKEARN
COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC	ZINC000000806598	555560046	/nfs/dbraw/zinc/56/00/46/555560046.db2.gz	PQFJEWKLYNXFGB-VWLOTQADSA-N	0	0	431.513	5.579	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2F)cc1OC	ZINC000000812853	555560864	/nfs/dbraw/zinc/56/08/64/555560864.db2.gz	KEJCZAYCFMYQRW-CRYYWNKWSA-N	0	0	444.506	5.822	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1	ZINC000000821076	555563840	/nfs/dbraw/zinc/56/38/40/555563840.db2.gz	BMNWLYWOLFZPFA-CCLHPLFOSA-N	0	0	445.559	5.826	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000822769	555564590	/nfs/dbraw/zinc/56/45/90/555564590.db2.gz	URHCQHNCKYUNEI-YADARESESA-N	0	0	435.951	5.653	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000000844131	555568772	/nfs/dbraw/zinc/56/87/72/555568772.db2.gz	SJNPZJQFLYAIKK-HXOBKFHXSA-N	0	0	439.914	5.404	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc2c(cc1Cl)OCO2	ZINC000000851458	555570442	/nfs/dbraw/zinc/57/04/42/555570442.db2.gz	MZHUNDCNEGIOGO-VWLOTQADSA-N	0	0	431.919	6.531	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000000853746	555570790	/nfs/dbraw/zinc/57/07/90/555570790.db2.gz	WYHRPDDRWYVJSZ-RLWLMLJZSA-N	0	0	445.559	5.399	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12	ZINC000000869997	555574972	/nfs/dbraw/zinc/57/49/72/555574972.db2.gz	RWPGUUJGDRLQDU-GDLZYMKVSA-N	0	0	432.523	6.487	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(C)o1	ZINC000000872436	555575537	/nfs/dbraw/zinc/57/55/37/555575537.db2.gz	IGNKQYZXOGECOQ-XHCCPWGMSA-N	0	0	426.516	5.899	50	30		IKEARN
CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)s1	ZINC000000883349	555578329	/nfs/dbraw/zinc/57/83/29/555578329.db2.gz	PZWAYNKZLXUSCB-QUGAMOGWSA-N	0	0	430.573	6.299	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC	ZINC000000883386	555578376	/nfs/dbraw/zinc/57/83/76/555578376.db2.gz	BXJTUGWLCUHXTK-GDJIYFAZSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC	ZINC000000883401	555578386	/nfs/dbraw/zinc/57/83/86/555578386.db2.gz	RVKAPMSAJHNMDA-LMKMVOKYSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2	ZINC000000970925	555591558	/nfs/dbraw/zinc/59/15/58/555591558.db2.gz	CSZDKWFUAMZIAD-NSYGIPOTSA-N	0	0	434.461	6.685	50	30		IKEARN
Oc1cc(O)c(/C=N/c2ccc3sc(-c4ccccc4)nc3c2)cc1Br	ZINC000000974061	555592110	/nfs/dbraw/zinc/59/21/10/555592110.db2.gz	HJILGPZMXYAJAD-SSDVNMTOSA-N	0	0	425.307	5.888	50	30		IKEARN
Clc1ccc2[nH]c3c(c2c1)CCC/C3=N\N=C1/CCCc2c3cc(Cl)ccc3[nH]c21	ZINC000000977892	555592834	/nfs/dbraw/zinc/59/28/34/555592834.db2.gz	ORICKPRFFDPIKK-VFIVCBTMSA-N	0	0	435.358	6.822	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1	ZINC000000986590	555595115	/nfs/dbraw/zinc/59/51/15/555595115.db2.gz	ZTASUGYKTPNPGU-BCHFMIIMSA-N	0	0	442.584	6.305	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(F)cc1	ZINC000000993758	555597672	/nfs/dbraw/zinc/59/76/72/555597672.db2.gz	LMMGMZUBXLIXJQ-AREMUKBSSA-N	0	0	440.518	6.283	50	30		IKEARN
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1	ZINC000000994450	555598028	/nfs/dbraw/zinc/59/80/28/555598028.db2.gz	YXYXZFJSIGFFCZ-VWLOTQADSA-N	0	0	426.516	6.045	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001022101	555603699	/nfs/dbraw/zinc/60/36/99/555603699.db2.gz	JMIPJZLQDGJHKC-CCLHPLFOSA-N	0	0	442.559	5.319	50	30		IKEARN
Cc1[nH]nc(N=Cc2ccc(OCc3ccccc3)cc2)c1-c1cccc(Br)c1	ZINC000001030263	555605592	/nfs/dbraw/zinc/60/55/92/555605592.db2.gz	QTOZMAVBNFKXQP-CVKSISIWSA-N	0	0	446.348	6.477	50	30		IKEARN
FC(F)(F)c1cccc(/N=C/c2c(Sc3ccc(Cl)cc3)nc3sccn23)c1	ZINC000001035794	555608070	/nfs/dbraw/zinc/60/80/70/555608070.db2.gz	QYOGQHJBSMLSAT-BHGWPJFGSA-N	0	0	437.899	6.970	50	30		IKEARN
Cc1cc(C)c2c(c1)occ(C1C3=C(CC(C)(C)CC3=O)OC3=C1C(=O)CC(C)(C)C3)c2=O	ZINC000001042427	555610117	/nfs/dbraw/zinc/61/01/17/555610117.db2.gz	JGHKBXSNRCIZRU-UHFFFAOYSA-N	0	0	446.543	5.810	50	30		IKEARN
CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1	ZINC000001066556	555618769	/nfs/dbraw/zinc/61/87/69/555618769.db2.gz	TYMIGKASUDASBX-XHCCPWGMSA-N	0	0	425.532	5.848	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccn2)cc1	ZINC000001066558	555618797	/nfs/dbraw/zinc/61/87/97/555618797.db2.gz	TYMIGKASUDASBX-PPHZAIPVSA-N	0	0	425.532	5.848	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F	ZINC000001074525	555623211	/nfs/dbraw/zinc/62/32/11/555623211.db2.gz	XDKMKSMRMGPQFU-NSYGIPOTSA-N	0	0	449.522	5.148	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccsc2)cc1OC	ZINC000001097760	555628133	/nfs/dbraw/zinc/62/81/33/555628133.db2.gz	ONWRRUVUXMKAKW-CRICUBBOSA-N	0	0	432.545	5.745	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001123525	555639012	/nfs/dbraw/zinc/63/90/12/555639012.db2.gz	BHOVGMRNGZGRNQ-BCHFMIIMSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001123518	555639138	/nfs/dbraw/zinc/63/91/38/555639138.db2.gz	BHOVGMRNGZGRNQ-AFMDSPMNSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1cccc(N2C(N)=C(C(=O)c3ccccc3)[C@@H](c3cccnc3)C3=C2CCCC3=O)c1	ZINC000001124485	555640009	/nfs/dbraw/zinc/64/00/09/555640009.db2.gz	FSEAJXXMNHSWOK-DEOSSOPVSA-N	0	0	435.527	5.054	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccccc1OCc1ccccc1Cl	ZINC000001126862	555641320	/nfs/dbraw/zinc/64/13/20/555641320.db2.gz	OWEOKUOWFOPUEG-XMMPIXPASA-N	0	0	448.975	5.438	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1	ZINC000001129556	555643663	/nfs/dbraw/zinc/64/36/63/555643663.db2.gz	DGPWEHMZLRGBKU-NRFANRHFSA-N	0	0	433.847	5.458	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl	ZINC000001130013	555643934	/nfs/dbraw/zinc/64/39/34/555643934.db2.gz	CCPSBZYGMFJUEL-FATZIPQQSA-N	0	0	443.877	5.153	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1c(F)cccc1Cl	ZINC000001130016	555643988	/nfs/dbraw/zinc/64/39/88/555643988.db2.gz	CCPSBZYGMFJUEL-QKFKETGDSA-N	0	0	443.877	5.153	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000001130190	555644008	/nfs/dbraw/zinc/64/40/08/555644008.db2.gz	YDGAXONAICYVCT-NRFANRHFSA-N	0	0	426.438	5.312	50	30		IKEARN
Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1	ZINC000001130415	555644325	/nfs/dbraw/zinc/64/43/25/555644325.db2.gz	RSQCHAOFARIGAM-HSZRJFAPSA-N	0	0	441.556	5.116	50	30		IKEARN
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001147915	555654683	/nfs/dbraw/zinc/65/46/83/555654683.db2.gz	AWIYDOPOGWXPKE-NSYGIPOTSA-N	0	0	429.451	5.713	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(OCc3ccc([N+](=O)[O-])cc3)cc1)C1=C(CCCC1=O)O2	ZINC000001156874	555659318	/nfs/dbraw/zinc/65/93/18/555659318.db2.gz	ZYLDEVSRPIGTEK-UHFFFAOYSA-N	0	0	445.471	5.302	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1cccc(Br)c1	ZINC000001171355	555666677	/nfs/dbraw/zinc/66/66/77/555666677.db2.gz	YTQYBNLISSVMAD-HSZRJFAPSA-N	0	0	433.349	6.307	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	ZINC000001175588	555669463	/nfs/dbraw/zinc/66/94/63/555669463.db2.gz	PHUCGVPECAHFDE-OAQYLSRUSA-N	0	0	428.866	5.225	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000001177194	555670305	/nfs/dbraw/zinc/67/03/05/555670305.db2.gz	KRQRITBIGHTDQJ-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001183824	555673099	/nfs/dbraw/zinc/67/30/99/555673099.db2.gz	DWULHNLCQUHIJD-QRQCRPRQSA-N	0	0	427.591	5.370	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001184785	555673354	/nfs/dbraw/zinc/67/33/54/555673354.db2.gz	XXKWQIVCAMYFML-GAJHUEQPSA-N	0	0	439.552	5.448	50	30		IKEARN
CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001187429	555674900	/nfs/dbraw/zinc/67/49/00/555674900.db2.gz	IXJOWDDYUDDZQR-YMVPSHTBSA-N	0	0	445.544	5.250	50	30		IKEARN
CCOc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001187433	555674970	/nfs/dbraw/zinc/67/49/70/555674970.db2.gz	IXJOWDDYUDDZQR-MCMRFMRISA-N	0	0	445.544	5.250	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	ZINC000001199302	555677869	/nfs/dbraw/zinc/67/78/69/555677869.db2.gz	MMIJTDNGKZNQHE-UZTOHYMASA-N	0	0	442.946	6.261	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202506	555679063	/nfs/dbraw/zinc/67/90/63/555679063.db2.gz	JEBIZTUAMZAJHH-QFQXNSOFSA-N	0	0	427.544	5.534	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1	ZINC000001202687	555679070	/nfs/dbraw/zinc/67/90/70/555679070.db2.gz	LGJDTSPXJNLJLU-ZHRRBRCNSA-N	0	0	442.342	5.528	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202517	555679106	/nfs/dbraw/zinc/67/91/06/555679106.db2.gz	JEBIZTUAMZAJHH-LVXARBLLSA-N	0	0	427.544	5.534	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202713	555679364	/nfs/dbraw/zinc/67/93/64/555679364.db2.gz	BRXDEBWFHMZQRS-IBVKSMDESA-N	0	0	445.534	5.673	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc(Cl)cc1)N2	ZINC000001202882	555679423	/nfs/dbraw/zinc/67/94/23/555679423.db2.gz	VYWNXLFAJOZAHZ-RUZDIDTESA-N	0	0	428.919	6.157	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202716	555679442	/nfs/dbraw/zinc/67/94/42/555679442.db2.gz	BRXDEBWFHMZQRS-RXFWQSSRSA-N	0	0	445.534	5.673	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000001204593	555680010	/nfs/dbraw/zinc/68/00/10/555680010.db2.gz	OFFYFBDLLLMXKK-AOMKIAJQSA-N	0	0	425.887	5.014	50	30		IKEARN
O=C(c1ccccc1)c1cc(Cl)ccc1NC=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000001207994	555681331	/nfs/dbraw/zinc/68/13/31/555681331.db2.gz	BTSXZAFGVUOXIJ-UHFFFAOYSA-N	0	0	429.903	5.583	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Br)C2=C(CCCC2=O)N1	ZINC000001213393	555683110	/nfs/dbraw/zinc/68/31/10/555683110.db2.gz	GMUGSLOUSBOHRG-OAQYLSRUSA-N	0	0	444.369	5.293	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000001215702	555683965	/nfs/dbraw/zinc/68/39/65/555683965.db2.gz	ZCEACTMKSLSULO-PPHZAIPVSA-N	0	0	426.516	5.689	50	30		IKEARN
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1	ZINC000001219215	555685053	/nfs/dbraw/zinc/68/50/53/555685053.db2.gz	FRBKOIJENMRIFX-JOCHJYFZSA-N	0	0	432.907	5.189	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000001219701	555685342	/nfs/dbraw/zinc/68/53/42/555685342.db2.gz	WDLUUDAGFQCRQK-NRESZANFSA-N	0	0	445.902	5.531	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccs3)C12	ZINC000001283604	555689074	/nfs/dbraw/zinc/68/90/74/555689074.db2.gz	LYLKXALWDMFGQR-SFHVURJKSA-N	0	0	428.970	5.307	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(F)cc1	ZINC000001434668	555696431	/nfs/dbraw/zinc/69/64/31/555696431.db2.gz	QGBBCDVTQWDVTP-QRQCRPRQSA-N	0	0	425.887	5.014	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccccc1Br	ZINC000001440480	555697415	/nfs/dbraw/zinc/69/74/15/555697415.db2.gz	JAYHHPYWRXRBIJ-HSZRJFAPSA-N	0	0	433.349	6.307	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccccc1Br	ZINC000001440481	555697423	/nfs/dbraw/zinc/69/74/23/555697423.db2.gz	JAYHHPYWRXRBIJ-QHCPKHFHSA-N	0	0	433.349	6.307	50	30		IKEARN
CCOC(=O)c1c(NC2=CC(=O)C[C@H](c3ccc(OC)cc3)C2)sc2c1CCCC2	ZINC000001444536	555698420	/nfs/dbraw/zinc/69/84/20/555698420.db2.gz	PEKCAGZINQHBCG-MRXNPFEDSA-N	0	0	425.550	5.255	50	30		IKEARN
Cc1ccccc1-c1nc2cc(/N=C/c3cc4c(cc3Br)OCO4)ccc2o1	ZINC000001445267	555698767	/nfs/dbraw/zinc/69/87/67/555698767.db2.gz	HYVIWFNKWSDMNG-BHGWPJFGSA-N	0	0	435.277	6.045	50	30		IKEARN
Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1	ZINC000001446274	555699101	/nfs/dbraw/zinc/69/91/01/555699101.db2.gz	OEYYIIQKGKVDPR-UKILVPOCSA-N	0	0	441.512	5.694	50	30		IKEARN
CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000001459244	555700287	/nfs/dbraw/zinc/70/02/87/555700287.db2.gz	AWCFAQPUAJPTMI-UZTOHYMASA-N	0	0	427.523	5.871	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000001459780	555700508	/nfs/dbraw/zinc/70/05/08/555700508.db2.gz	QKJLPLLSTSADJN-XMMPIXPASA-N	0	0	437.495	5.610	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000001459779	555700583	/nfs/dbraw/zinc/70/05/83/555700583.db2.gz	QKJLPLLSTSADJN-DEOSSOPVSA-N	0	0	437.495	5.610	50	30		IKEARN
COc1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1	ZINC000001740142	555711463	/nfs/dbraw/zinc/71/14/63/555711463.db2.gz	YIIGEADLQIYKRE-OVVQPSECSA-N	0	0	435.955	5.084	50	30		IKEARN
N#Cc1c(SCC(=O)c2cc3ccccc3o2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000100233208	555722280	/nfs/dbraw/zinc/72/22/80/555722280.db2.gz	VXFVTVJZTIWEBV-UYRXBGFRSA-N	0	0	438.430	7.034	50	30		IKEARN
N#Cc1c(/N=C/c2cc(Br)ccc2O)oc(-c2ccccc2)c1-c1ccccc1	ZINC000001885229	555722706	/nfs/dbraw/zinc/72/27/06/555722706.db2.gz	DGXDMOMSKOTVMF-JFLMPSFJSA-N	0	0	443.300	6.704	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C(SCc2ccccc2)SCc2ccccc2)cc1	ZINC000001896409	555723305	/nfs/dbraw/zinc/72/33/05/555723305.db2.gz	KIXSGVGCNWFQHC-UHFFFAOYSA-N	0	0	427.616	5.907	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCC)c(OC)c1	ZINC000002055152	555730357	/nfs/dbraw/zinc/73/03/57/555730357.db2.gz	XUSXREMOXJOAHW-XMMPIXPASA-N	0	0	441.568	5.185	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1	ZINC000002055156	555730382	/nfs/dbraw/zinc/73/03/82/555730382.db2.gz	OJJOXPNKKIAKSJ-LJQANCHMSA-N	0	0	432.358	5.006	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000002057057	555731081	/nfs/dbraw/zinc/73/10/81/555731081.db2.gz	UDSFBCNQXCPMGT-DEOSSOPVSA-N	0	0	446.547	6.407	50	30		IKEARN
N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060630	555731691	/nfs/dbraw/zinc/73/16/91/555731691.db2.gz	KUJYAGWKVLBMSY-UHFFFAOYSA-N	0	0	441.600	5.527	50	30	biogenic	IKEARN
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O	ZINC000002062864	555732484	/nfs/dbraw/zinc/73/24/84/555732484.db2.gz	FHKIVRHVEDXIOA-UHFFFAOYSA-N	0	0	434.319	5.921	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000002066168	555733341	/nfs/dbraw/zinc/73/33/41/555733341.db2.gz	BGXNTKHLBHZYLC-HXUWFJFHSA-N	0	0	436.379	5.941	50	30		IKEARN
CCCCN(CCCC)C1=C(C(=O)c2ccccc2)N(CC)S(=O)(=O)c2ccccc21	ZINC000002066485	555733715	/nfs/dbraw/zinc/73/37/15/555733715.db2.gz	RKDBVJMQEAOXMX-UHFFFAOYSA-N	0	0	440.609	5.165	50	30		IKEARN
O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl	ZINC000002068764	555733962	/nfs/dbraw/zinc/73/39/62/555733962.db2.gz	IUZVZCXMSWUNFC-JAIQZWGSSA-N	0	0	427.308	6.542	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000002069356	555734233	/nfs/dbraw/zinc/73/42/33/555734233.db2.gz	JOVBHZCZJRRXEQ-QHCPKHFHSA-N	0	0	441.568	5.041	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000002073016	555735162	/nfs/dbraw/zinc/73/51/62/555735162.db2.gz	NEUHYIQTLUDKOE-AOMKIAJQSA-N	0	0	441.980	5.716	50	30		IKEARN
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(CCC#N)c2ccccc12	ZINC000002075369	555735748	/nfs/dbraw/zinc/73/57/48/555735748.db2.gz	LJRGXNHXZMJEAK-UHFFFAOYSA-N	0	0	436.555	6.941	50	30		IKEARN
CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC	ZINC000002076488	555735957	/nfs/dbraw/zinc/73/59/57/555735957.db2.gz	FXLCHAHQBTVRRJ-MZURAFEFSA-N	0	0	444.984	5.630	50	30		IKEARN
Nc1ccccc1/N=C1/C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O	ZINC000002077878	555736006	/nfs/dbraw/zinc/73/60/06/555736006.db2.gz	KCWZGDITJUVXIB-BXVZCJGGSA-N	0	0	430.511	5.978	50	30		IKEARN
O=C1C(=O)N(N(c2ccccc2)c2ccccc2)C(c2ccccc2)=C1Cc1ccccc1	ZINC000002077883	555736043	/nfs/dbraw/zinc/73/60/43/555736043.db2.gz	OLYUEWGUUXMOBK-UHFFFAOYSA-N	0	0	430.507	5.805	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccc(C)cc2)C(=O)N1c1ccccc1CC	ZINC000002081631	555738155	/nfs/dbraw/zinc/73/81/55/555738155.db2.gz	VXHMWLUKQHOKRS-ZEHKLFRWSA-N	0	0	426.585	6.928	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC	ZINC000002082267	555738651	/nfs/dbraw/zinc/73/86/51/555738651.db2.gz	ZJXFXNJPTOKNLR-ZEHKLFRWSA-N	0	0	442.584	6.629	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000002092392	555741403	/nfs/dbraw/zinc/74/14/03/555741403.db2.gz	WOWVYLDBBKOZML-LMTJQJACSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1ccc(/C=N/OC(=O)COc2cccc(Cl)c2)cc1COc1ccc(F)cc1	ZINC000002098284	555742353	/nfs/dbraw/zinc/74/23/53/555742353.db2.gz	OWJKLMOYEVTDJW-LGJNPRDNSA-N	0	0	443.858	5.023	50	30		IKEARN
CSc1nnc(-c2ccccc2)n1/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000002104437	555742966	/nfs/dbraw/zinc/74/29/66/555742966.db2.gz	YWTTXIPPIQOKRK-DHRITJCHSA-N	0	0	428.439	5.828	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1ccc(Br)cc1)OC1=C2C(=O)c2ccccc21	ZINC000002139337	555747891	/nfs/dbraw/zinc/74/78/91/555747891.db2.gz	JXAHPKGSADSYCK-QHCPKHFHSA-N	0	0	449.300	5.651	50	30	biogenic	IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@H]2c1ccccc1	ZINC000002151198	555749633	/nfs/dbraw/zinc/74/96/33/555749633.db2.gz	UKNIOFICYOMGDJ-VWLOTQADSA-N	0	0	448.566	5.987	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1	ZINC000002151321	555749701	/nfs/dbraw/zinc/74/97/01/555749701.db2.gz	DGRQHEBQMCKXCC-RUZDIDTESA-N	0	0	434.539	5.659	50	30		IKEARN
Cc1ccc(/N=C2/S/C(=C\c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1	ZINC000002168231	555751436	/nfs/dbraw/zinc/75/14/36/555751436.db2.gz	PAYRFYHAYXRJCI-IIZUOHISSA-N	0	0	439.540	5.680	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1	ZINC000002173317	555752451	/nfs/dbraw/zinc/75/24/51/555752451.db2.gz	RZODHAXXAPBNNY-PDGQHHTCSA-N	0	0	442.949	5.984	50	30		IKEARN
C=CCc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O	ZINC000002174505	555752463	/nfs/dbraw/zinc/75/24/63/555752463.db2.gz	SNMGRZFHHGGUDW-UNOMPAQXSA-N	0	0	428.941	5.373	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3	ZINC000002183416	555754595	/nfs/dbraw/zinc/75/45/95/555754595.db2.gz	BXAJRIBHNNEOQK-UHFFFAOYSA-N	0	0	442.650	6.397	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3	ZINC000002183483	555754641	/nfs/dbraw/zinc/75/46/41/555754641.db2.gz	FYCUAADPEGICQK-UHFFFAOYSA-N	0	0	426.651	6.448	50	30		IKEARN
C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000002187588	555755535	/nfs/dbraw/zinc/75/55/35/555755535.db2.gz	HVIFNIJXFXKMIU-UHFFFAOYSA-N	0	0	436.548	5.660	50	30		IKEARN
CC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000002199711	555757208	/nfs/dbraw/zinc/75/72/08/555757208.db2.gz	VBQVKXRTWMFEIQ-OAQYLSRUSA-N	0	0	443.981	5.481	50	30		IKEARN
Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002239317	555761212	/nfs/dbraw/zinc/76/12/12/555761212.db2.gz	JSDFGTCPPGRDHW-IFRROFPPSA-N	0	0	446.132	5.324	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccccc4o3)c2C)c1O	ZINC000002257248	555763134	/nfs/dbraw/zinc/76/31/34/555763134.db2.gz	XATOCZXWRYBSIQ-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)[C@@H](C)CCC3	ZINC000002298463	555766619	/nfs/dbraw/zinc/76/66/19/555766619.db2.gz	KRDBRXHSUNQNGH-KRWDZBQOSA-N	0	0	426.651	6.950	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1	ZINC000002320905	555768212	/nfs/dbraw/zinc/76/82/12/555768212.db2.gz	TYPNHNNGNDVJIU-HCWGUIKXSA-N	0	0	441.398	5.801	50	30		IKEARN
COc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1	ZINC000002506408	555784712	/nfs/dbraw/zinc/78/47/12/555784712.db2.gz	MFQMBPDSNLOOMZ-CVKSISIWSA-N	0	0	445.523	5.008	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1	ZINC000002542928	555786772	/nfs/dbraw/zinc/78/67/72/555786772.db2.gz	TZUCEZLTSYQAKJ-WPWMEQJKSA-N	0	0	445.588	5.498	50	30		IKEARN
CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	ZINC000002573750	555788213	/nfs/dbraw/zinc/78/82/13/555788213.db2.gz	HAAUAOQFPSNHAJ-LJQANCHMSA-N	0	0	442.968	5.054	50	30		IKEARN
COc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000002578279	555788577	/nfs/dbraw/zinc/78/85/77/555788577.db2.gz	SJGXMTJLBAXGIP-ZVHZXABRSA-N	0	0	425.941	5.248	50	30		IKEARN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)N(Cc1ccccc1F)CC2	ZINC000034667497	555791748	/nfs/dbraw/zinc/79/17/48/555791748.db2.gz	YPWTUUKWFBFQLO-CCLHPLFOSA-N	0	0	444.550	5.043	50	30		IKEARN
CCCCCCCCCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc21	ZINC000002753079	555810593	/nfs/dbraw/zinc/81/05/93/555810593.db2.gz	XBNQFXDAVXSIQJ-UHFFFAOYSA-N	0	0	432.564	6.501	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000002755324	555810886	/nfs/dbraw/zinc/81/08/86/555810886.db2.gz	NDYYYUREJCRBGO-AREMUKBSSA-N	0	0	427.544	5.807	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000002757846	555811555	/nfs/dbraw/zinc/81/15/55/555811555.db2.gz	RWXTWGDPYNQHNG-OFVILXPXSA-N	0	0	447.600	5.345	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1	ZINC000002762198	555813130	/nfs/dbraw/zinc/81/31/30/555813130.db2.gz	SXMZLGGLKKFOMY-KSFYIVLOSA-N	0	0	425.525	5.202	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1F	ZINC000002762221	555813154	/nfs/dbraw/zinc/81/31/54/555813154.db2.gz	GQGIMMCFOKBJSU-QRQCRPRQSA-N	0	0	425.525	5.202	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO	ZINC000002773364	555816419	/nfs/dbraw/zinc/81/64/19/555816419.db2.gz	PQDRYJRFUAPZNV-HHHXNRCGSA-N	0	0	429.516	5.283	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000002784245	555820091	/nfs/dbraw/zinc/82/00/91/555820091.db2.gz	YNMSAXPRGZAOGJ-YADARESESA-N	0	0	435.951	5.655	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1	ZINC000002784246	555820186	/nfs/dbraw/zinc/82/01/86/555820186.db2.gz	YNMSAXPRGZAOGJ-DVECYGJZSA-N	0	0	435.951	5.655	50	30		IKEARN
Cc1ccc(CN2c3ccc(Cl)cc3[C@@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1	ZINC000034707185	555821875	/nfs/dbraw/zinc/82/18/75/555821875.db2.gz	ZDYOQYKUGJUPFX-YYFQYTQESA-N	0	0	431.919	5.055	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002796112	555822183	/nfs/dbraw/zinc/82/21/83/555822183.db2.gz	ZMINNEZOMLJMAP-QFIPXVFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1	ZINC000002795941	555822220	/nfs/dbraw/zinc/82/22/20/555822220.db2.gz	NQHKQGZIBRBZBL-FQEVSTJZSA-N	0	0	446.385	5.396	50	30		IKEARN
Cc1ccc2c(c1)/C(=C1/S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2	ZINC000002807282	555826654	/nfs/dbraw/zinc/82/66/54/555826654.db2.gz	PGTGMJXKKDIUMY-YZYICMKNSA-N	0	0	439.540	5.743	50	30		IKEARN
COc1cccc(/C=C2\N=C(SCc3ccccc3)SC2=O)c1OCc1ccccc1	ZINC000002822389	555830045	/nfs/dbraw/zinc/83/00/45/555830045.db2.gz	LLJSAXOVIAHFHT-QNGOZBTKSA-N	0	0	447.581	6.178	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1	ZINC000002844405	555836938	/nfs/dbraw/zinc/83/69/38/555836938.db2.gz	YVXMMMIGPJJACV-HFJWLAOPSA-N	0	0	449.522	5.656	50	30		IKEARN
CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000002861941	555845104	/nfs/dbraw/zinc/84/51/04/555845104.db2.gz	ZUCGBBVKTIUPGD-RUZDIDTESA-N	0	0	448.519	5.266	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1	ZINC000002865485	555847051	/nfs/dbraw/zinc/84/70/51/555847051.db2.gz	NBBHMJXMRLARDM-HRAATJIYSA-N	0	0	439.342	6.363	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@H](C)Oc1ccccc1	ZINC000002865484	555847071	/nfs/dbraw/zinc/84/70/71/555847071.db2.gz	NBBHMJXMRLARDM-KKSFZXQISA-N	0	0	439.342	6.363	50	30		IKEARN
O=C(C=CNc1ccc(Oc2ccc(NC=CC(=O)C(F)(F)F)cc2)cc1)C(F)(F)F	ZINC000002875023	555851752	/nfs/dbraw/zinc/85/17/52/555851752.db2.gz	WCMMLZJYHFELTI-WGDLNXRISA-N	0	0	444.331	5.593	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc3c(c2)OCO3)C1=O	ZINC000002902438	555861019	/nfs/dbraw/zinc/86/10/19/555861019.db2.gz	QHQHLTCPWHOYGY-FYJGNVAPSA-N	0	0	445.496	5.112	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCC#N	ZINC000002912774	555862342	/nfs/dbraw/zinc/86/23/42/555862342.db2.gz	ITBXDBVCFSZDFC-HHHXNRCGSA-N	0	0	438.527	6.060	50	30		IKEARN
O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])cc1	ZINC000002991719	555875205	/nfs/dbraw/zinc/87/52/05/555875205.db2.gz	FBUKWIFOOWKFBS-UHFFFAOYSA-N	0	0	440.271	5.145	50	30		IKEARN
O/N=C/c1ccc(OC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1	ZINC000002999297	555877291	/nfs/dbraw/zinc/87/72/91/555877291.db2.gz	PDHPYWNJTHUSSJ-LHSRNITLSA-N	0	0	429.303	5.349	50	30		IKEARN
N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)C2=O)c1	ZINC000034734301	555878775	/nfs/dbraw/zinc/87/87/75/555878775.db2.gz	AHXRKGSAVUDMDI-UHFFFAOYSA-N	0	0	444.922	5.296	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl	ZINC000003065900	555884540	/nfs/dbraw/zinc/88/45/40/555884540.db2.gz	XVDBULGDXDEIJG-HNNXBMFYSA-N	0	0	439.861	6.561	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1OC	ZINC000003094440	555885747	/nfs/dbraw/zinc/88/57/47/555885747.db2.gz	NLLFPOVFGPSXNB-JOCHJYFZSA-N	0	0	441.568	5.041	50	30		IKEARN
O=C(ON=C(c1cccs1)c1cccs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003127692	555889978	/nfs/dbraw/zinc/88/99/78/555889978.db2.gz	OQODXEQUYOGKCC-UHFFFAOYSA-N	0	0	449.397	6.457	50	30		IKEARN
CCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O	ZINC000003137965	555891148	/nfs/dbraw/zinc/89/11/48/555891148.db2.gz	LYMOYQUXYKGBLT-UHFFFAOYSA-N	0	0	426.425	5.232	50	30		IKEARN
Cc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccc(Cl)cc2)cc1	ZINC000003157720	555892696	/nfs/dbraw/zinc/89/26/96/555892696.db2.gz	ZIDXTXSTXUAQOB-UHFFFAOYSA-N	0	0	432.950	7.753	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O	ZINC000003216108	555899556	/nfs/dbraw/zinc/89/95/56/555899556.db2.gz	BQQHJYDVOZTUBE-UHFFFAOYSA-N	0	0	441.955	6.438	50	30		IKEARN
N#CCCn1cc(C(=O)N(c2ccccc2)c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000003356883	555926653	/nfs/dbraw/zinc/92/66/53/555926653.db2.gz	NBFQKKHTWKVASG-UHFFFAOYSA-N	0	0	437.459	5.350	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1cccs1	ZINC000003639487	555943023	/nfs/dbraw/zinc/94/30/23/555943023.db2.gz	AISMWPYDQOWCRL-VOIUYBSRSA-N	0	0	437.561	5.072	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccc(F)cc1	ZINC000003639564	555943060	/nfs/dbraw/zinc/94/30/60/555943060.db2.gz	XGTVBDHKQSNKBC-AVRWGWEMSA-N	0	0	449.522	5.149	50	30		IKEARN
Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@H](C(=O)c3ccc(C)cc3)C2)cc1	ZINC000003648540	555943889	/nfs/dbraw/zinc/94/38/89/555943889.db2.gz	WNIMNXOYTCWXFQ-OAQYLSRUSA-N	0	0	425.553	6.213	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C	ZINC000003667442	555945232	/nfs/dbraw/zinc/94/52/32/555945232.db2.gz	SYKIJTGLLQMAQW-HXNPFYCNSA-N	0	0	444.556	6.291	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004043965	555955170	/nfs/dbraw/zinc/95/51/70/555955170.db2.gz	CDZJJLMRMQTLMI-RUZDIDTESA-N	0	0	436.596	5.377	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000004044001	555955255	/nfs/dbraw/zinc/95/52/55/555955255.db2.gz	LPRZIIKGLMNTQR-QFQXNSOFSA-N	0	0	444.575	5.067	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004047866	555955466	/nfs/dbraw/zinc/95/54/66/555955466.db2.gz	UXBLMKHKNIFXDS-PPHZAIPVSA-N	0	0	443.978	6.386	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004047868	555955508	/nfs/dbraw/zinc/95/55/08/555955508.db2.gz	UXBLMKHKNIFXDS-WINIVTDRSA-N	0	0	443.978	6.386	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)nc1	ZINC000004048028	555955586	/nfs/dbraw/zinc/95/55/86/555955586.db2.gz	SRKMMBAFNGJPOB-PGGKNCGUSA-N	0	0	435.242	5.461	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004059642	555956256	/nfs/dbraw/zinc/95/62/56/555956256.db2.gz	DZUNJFLGANAYID-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004061681	555956858	/nfs/dbraw/zinc/95/68/58/555956858.db2.gz	SEXTWCBGUMZWDP-XMMPIXPASA-N	0	0	437.580	5.565	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1	ZINC000004064686	555957140	/nfs/dbraw/zinc/95/71/40/555957140.db2.gz	GTAYUCKXHAMCRM-WVXBCFDCSA-N	0	0	446.550	6.828	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1	ZINC000004065032	555957422	/nfs/dbraw/zinc/95/74/22/555957422.db2.gz	PUBGMKLSHJCVGM-XRHLQHRESA-N	0	0	442.515	5.389	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1	ZINC000004065118	555957475	/nfs/dbraw/zinc/95/74/75/555957475.db2.gz	HFWYMXXBUFGSLR-PPHZAIPVSA-N	0	0	444.962	6.718	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000004067209	555957774	/nfs/dbraw/zinc/95/77/74/555957774.db2.gz	AVJGPYYMGUTUTI-SANMLTNESA-N	0	0	445.559	5.229	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004067282	555957835	/nfs/dbraw/zinc/95/78/35/555957835.db2.gz	OUFAUOJWDOVOML-RUZDIDTESA-N	0	0	445.559	5.221	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000004078005	555958358	/nfs/dbraw/zinc/95/83/58/555958358.db2.gz	NNEXSNHINRWDGU-LMKMVOKYSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000004078870	555958534	/nfs/dbraw/zinc/95/85/34/555958534.db2.gz	LBSCKXDYZKHMGB-QUGAMOGWSA-N	0	0	444.918	6.048	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2	ZINC000004080043	555958867	/nfs/dbraw/zinc/95/88/67/555958867.db2.gz	IENZLPCPVYGBNZ-LMKMVOKYSA-N	0	0	435.354	6.973	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004081160	555958900	/nfs/dbraw/zinc/95/89/00/555958900.db2.gz	WWIXZOWECVWWJU-JOCHJYFZSA-N	0	0	430.470	6.424	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000004082011	555958949	/nfs/dbraw/zinc/95/89/49/555958949.db2.gz	GUPPYNAVRNACFU-NSYGIPOTSA-N	0	0	435.354	6.973	50	30		IKEARN
CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1	ZINC000004098965	555962184	/nfs/dbraw/zinc/96/21/84/555962184.db2.gz	QQODLKZGRKWIFG-ZAAXVRCTSA-N	0	0	434.294	6.317	50	30	in-man	IKEARN
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1	ZINC000004178648	555974187	/nfs/dbraw/zinc/97/41/87/555974187.db2.gz	KYSUVDCHKJDXNG-ZVHZXABRSA-N	0	0	439.309	5.226	50	30		IKEARN
S=C(N/N=C/c1ccccc1OCc1cccc(Br)c1)NC1CCCCC1	ZINC000004209985	555976445	/nfs/dbraw/zinc/97/64/45/555976445.db2.gz	PTBOWZYEXAQCOP-OEAKJJBVSA-N	0	0	446.414	5.159	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2	ZINC000004417962	555993917	/nfs/dbraw/zinc/99/39/17/555993917.db2.gz	INFUVSOZCYBBND-VWLOTQADSA-N	0	0	437.580	5.709	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1	ZINC000004552157	556000846	/nfs/dbraw/zinc/00/08/46/556000846.db2.gz	BEPYDKGHSWSSOC-SDNWHVSQSA-N	0	0	426.428	5.008	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794637	556012093	/nfs/dbraw/zinc/01/20/93/556012093.db2.gz	SLOZAVCBNVVGHZ-RUZDIDTESA-N	0	0	434.580	5.751	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC	ZINC000006089736	556076233	/nfs/dbraw/zinc/07/62/33/556076233.db2.gz	UYDAAXFSHMLTJY-WGDIFIGCSA-N	0	0	446.572	6.135	50	30		IKEARN
Cc1cc(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccc(Br)cc1	ZINC000006177783	556079569	/nfs/dbraw/zinc/07/95/69/556079569.db2.gz	CHMMRYNERNPVPI-WSDLNYQXSA-N	0	0	432.159	6.370	50	30		IKEARN
CCSC1=N/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)S1	ZINC000006271258	556083233	/nfs/dbraw/zinc/08/32/33/556083233.db2.gz	RFEPLNLXGVKRFF-WJDWOHSUSA-N	0	0	434.380	5.752	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc([N+](=O)[O-])cc2)C1=O	ZINC000006378665	556085930	/nfs/dbraw/zinc/08/59/30/556085930.db2.gz	XYZRQGMWCWQDSS-ZHZULCJRSA-N	0	0	446.484	5.292	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000006407941	556087002	/nfs/dbraw/zinc/08/70/02/556087002.db2.gz	GFBWHKMHZFPNDT-QRQCRPRQSA-N	0	0	427.591	5.431	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(C)c1	ZINC000006442926	556087579	/nfs/dbraw/zinc/08/75/79/556087579.db2.gz	DBKOVHVHAYCADO-DEOSSOPVSA-N	0	0	430.548	5.246	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1	ZINC000006459951	556089637	/nfs/dbraw/zinc/08/96/37/556089637.db2.gz	YKPAGHFWHBMDOY-VLSFKVKESA-N	0	0	429.903	5.831	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1	ZINC000006498941	556091625	/nfs/dbraw/zinc/09/16/25/556091625.db2.gz	VKWBHSAKGOIDEP-DWXRJYCRSA-N	0	0	428.488	5.209	50	30		IKEARN
COc1ccc(-c2oc(/N=C/c3ccccc3Cl)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000007060085	556114104	/nfs/dbraw/zinc/11/41/04/556114104.db2.gz	PPWOYGMSDNJJIG-MUFRIFMGSA-N	0	0	442.902	6.906	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)c1c(/N=C/c2ccccc2Cl)sc2c1CCCC2	ZINC000002744107	556136411	/nfs/dbraw/zinc/13/64/11/556136411.db2.gz	NYXOCHVERNNHLF-DHRITJCHSA-N	0	0	429.372	6.937	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	ZINC000002889468	556147469	/nfs/dbraw/zinc/14/74/69/556147469.db2.gz	JAUIPVXDVZRUEM-CQSZACIVSA-N	0	0	438.618	5.361	50	30		IKEARN
O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1/N=C/c1cccs1	ZINC000008382951	556158917	/nfs/dbraw/zinc/15/89/17/556158917.db2.gz	OYGWISIQDFMKCR-RWPZCVJISA-N	0	0	448.507	5.815	50	30		IKEARN
CCCCCC(=O)/C=C/[C@H]1[C@H](OC(=O)c2ccc(-c3ccccc3)cc2)C[C@@H]2OC(=O)C[C@H]12	ZINC000008385687	556161451	/nfs/dbraw/zinc/16/14/51/556161451.db2.gz	KVAPQSSLLZXBHI-LMXHIZBGSA-N	0	0	446.543	5.536	50	30		IKEARN
O=C1C/C(=N\N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21	ZINC000008385422	556161516	/nfs/dbraw/zinc/16/15/16/556161516.db2.gz	PGUFQQJWSLCLJN-JQSWZAHZSA-N	0	0	429.932	5.751	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1	ZINC000008386260	556161838	/nfs/dbraw/zinc/16/18/38/556161838.db2.gz	NTAYZZVHWJFUFS-UHFFFAOYSA-N	0	0	426.557	6.257	50	30		IKEARN
CCOC(=O)c1c(/N=C/c2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1	ZINC000008386538	556162115	/nfs/dbraw/zinc/16/21/15/556162115.db2.gz	FEHPCASFCOIWHD-JFLMPSFJSA-N	0	0	445.540	6.518	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(O)ccc2ccccc21	ZINC000008386506	556162152	/nfs/dbraw/zinc/16/21/52/556162152.db2.gz	HHKCIZKVWZREIN-ZMPCKTLKSA-N	0	0	433.558	5.539	50	30		IKEARN
COc1cc(/C=C2\CCC/C(=C\c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O	ZINC000008396850	556163846	/nfs/dbraw/zinc/16/38/46/556163846.db2.gz	HVOVCVCXCXFKMY-MKFXEVHTSA-N	0	0	435.303	5.642	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000008396796	556163887	/nfs/dbraw/zinc/16/38/87/556163887.db2.gz	AZSQKYMBAGGFGD-SANMLTNESA-N	0	0	445.559	5.577	50	30		IKEARN
c1ccc(/N=C2C(=N\c3ccccc3)\S/C(=N\C3CCCCC3)N\2C2CCCCC2)cc1	ZINC000008399107	556165073	/nfs/dbraw/zinc/16/50/73/556165073.db2.gz	TXPDBMSODBCQAQ-KMQPISCYSA-N	0	0	444.648	7.517	50	30		IKEARN
CCOC(=O)CN1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1	ZINC000008399321	556165370	/nfs/dbraw/zinc/16/53/70/556165370.db2.gz	FVUYCJKZSKFUJQ-AORWUECESA-N	0	0	442.544	5.117	50	30		IKEARN
COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1OC(C)C	ZINC000008399696	556165577	/nfs/dbraw/zinc/16/55/77/556165577.db2.gz	UCQHXBRMZRORQK-KEBDBYFISA-N	0	0	444.700	5.186	50	30		IKEARN
CCOc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1	ZINC000008399865	556165600	/nfs/dbraw/zinc/16/56/00/556165600.db2.gz	FZFSZHXVPDKCMF-ZBISPMLPSA-N	0	0	445.566	7.192	50	30		IKEARN
Cc1cc(C=[NH+][N-]c2cccc3cccnc32)cc(C=NNc2cccc3cccnc32)c1O	ZINC000008400275	556165839	/nfs/dbraw/zinc/16/58/39/556165839.db2.gz	CAJKUNQVRKQFLC-RVSCTIAXSA-N	0	0	446.514	5.689	50	30		IKEARN
COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C/c3ccc(SC)cc3)cc2)cc1	ZINC000008417735	556167692	/nfs/dbraw/zinc/16/76/92/556167692.db2.gz	WKYOUHBZULHIMX-FZSIALSZSA-N	0	0	433.529	5.331	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000008430522	556170440	/nfs/dbraw/zinc/17/04/40/556170440.db2.gz	PNGNWPJWZXHUKW-JCQPUDPBSA-N	0	0	441.383	7.034	50	30		IKEARN
O=C(/C=C/c1cn(C[C@@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1	ZINC000008430760	556170442	/nfs/dbraw/zinc/17/04/42/556170442.db2.gz	LVUSTTLJPLEOCA-VIOKTNGOSA-N	0	0	428.557	5.023	50	30		IKEARN
O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCCC3	ZINC000008431510	556171069	/nfs/dbraw/zinc/17/10/69/556171069.db2.gz	NNIKZWXCCWWWAT-AFUMVMLFSA-N	0	0	441.000	5.941	50	30		IKEARN
COc1ccc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1Cl	ZINC000008434829	556172714	/nfs/dbraw/zinc/17/27/14/556172714.db2.gz	URWRZNMVWVLYGW-ODLFYWEKSA-N	0	0	445.327	6.154	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)c1	ZINC000008437364	556173651	/nfs/dbraw/zinc/17/36/51/556173651.db2.gz	QYSXCIYVRRBUSS-FBCBFZTJSA-N	0	0	445.866	5.450	50	30		IKEARN
CCOc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008439500	556175799	/nfs/dbraw/zinc/17/57/99/556175799.db2.gz	FDTIDYNSCPMNCV-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440806	556176546	/nfs/dbraw/zinc/17/65/46/556176546.db2.gz	POSXQJOKESEPML-QFIPXVFZSA-N	0	0	435.476	5.138	50	30		IKEARN
COc1cc(/C=C2\CC/C(=C\c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C	ZINC000008444324	556179033	/nfs/dbraw/zinc/17/90/33/556179033.db2.gz	BPFXIWBXTKYKNV-JFMUQQRKSA-N	0	0	436.548	6.108	50	30		IKEARN
N=C(N/N=C1/c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccccc1Cl	ZINC000008446365	556180192	/nfs/dbraw/zinc/18/01/92/556180192.db2.gz	KLMQZKAIVVHJGY-QLYXXIJNSA-N	0	0	434.952	5.049	50	30		IKEARN
CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1	ZINC000008451931	556182383	/nfs/dbraw/zinc/18/23/83/556182383.db2.gz	DVEURUIBUFCIJC-VCICBFQVSA-N	0	0	425.513	5.371	50	30		IKEARN
CCCCCCCCCCCCCC(=O)Nc1ccc(I)cc1	ZINC000008452340	556182803	/nfs/dbraw/zinc/18/28/03/556182803.db2.gz	KVWVPCKZFPRETN-UHFFFAOYSA-N	0	0	429.386	6.931	50	30		IKEARN
CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N\c1ccccc1	ZINC000008452573	556183106	/nfs/dbraw/zinc/18/31/06/556183106.db2.gz	PAJLDDXCQWORLE-GCXIQGEKSA-N	0	0	434.948	6.153	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1	ZINC000008454089	556184742	/nfs/dbraw/zinc/18/47/42/556184742.db2.gz	KFEZUKLYFFFVLZ-CVKSISIWSA-N	0	0	427.529	6.092	50	30		IKEARN
CCCCCCCCCCCCCCCCNc1c2ccccc2nc2c1C(=O)CCC2	ZINC000008453875	556184786	/nfs/dbraw/zinc/18/47/86/556184786.db2.gz	COXXMAXAHUIFES-UHFFFAOYSA-N	0	0	436.684	8.647	50	30		IKEARN
C/C(=N\OC(=O)c1ccc(Cl)cc1)c1cnn(-c2cc(C(F)(F)F)cc(C)n2)c1C	ZINC000008616729	556192961	/nfs/dbraw/zinc/19/29/61/556192961.db2.gz	ZXUFQOPELAPDPR-KKMKTNMSSA-N	0	0	436.821	5.137	50	30		IKEARN
C/C(=N\OCc1cccc(C(=O)N=[S@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1	ZINC000008648473	556196223	/nfs/dbraw/zinc/19/62/23/556196223.db2.gz	JTBBXGSNDACVEM-CNRUIPLNSA-N	0	0	440.952	5.578	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C/c1ccccc1	ZINC000008721446	556203002	/nfs/dbraw/zinc/20/30/02/556203002.db2.gz	MEBYLSQVZSCHEG-QHLVILHISA-N	0	0	448.566	6.484	50	30		IKEARN
COc1ccc(C(=O)/C=C\c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1	ZINC000008733356	556204355	/nfs/dbraw/zinc/20/43/55/556204355.db2.gz	YCYQULDYTBVOSU-AUWJEWJLSA-N	0	0	436.529	5.284	50	30		IKEARN
CC(C)Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000008738515	556205011	/nfs/dbraw/zinc/20/50/11/556205011.db2.gz	VDECFKOXCHAWHV-HKOYGPOVSA-N	0	0	439.555	7.336	50	30		IKEARN
Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C	ZINC000008741899	556207377	/nfs/dbraw/zinc/20/73/77/556207377.db2.gz	ZRCJIXRZXOCBDR-VQAHOFKPSA-N	0	0	429.545	5.468	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000008742244	556207457	/nfs/dbraw/zinc/20/74/57/556207457.db2.gz	UAMHNFUXDDMCPH-KCWPFWIISA-N	0	0	443.587	5.810	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1	ZINC000008743731	556208046	/nfs/dbraw/zinc/20/80/46/556208046.db2.gz	LDHOXZFJHVNDOU-FQEVSTJZSA-N	0	0	446.553	5.703	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008743750	556208086	/nfs/dbraw/zinc/20/80/86/556208086.db2.gz	BYVTVBKHZVAONA-BFFNPARHSA-N	0	0	429.903	5.831	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000008743985	556208440	/nfs/dbraw/zinc/20/84/40/556208440.db2.gz	ALZYLWKJWLFBPC-JOCHJYFZSA-N	0	0	446.503	5.072	50	30		IKEARN
Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000008781897	556214958	/nfs/dbraw/zinc/21/49/58/556214958.db2.gz	ZQWBOKJVVYNKTL-AUEPDCJTSA-N	0	0	436.751	6.574	50	30	in-vitro	IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O	ZINC000008782687	556215012	/nfs/dbraw/zinc/21/50/12/556215012.db2.gz	ILJZTQJFNMSQKP-PSYZWBJOSA-N	0	0	432.501	5.218	50	30	biogenic,in-vitro	IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000008827584	556224570	/nfs/dbraw/zinc/22/45/70/556224570.db2.gz	ZYABHEFXDHFXBQ-HSZRJFAPSA-N	0	0	446.503	5.206	50	30		IKEARN
COc1ccc2ccccc2c1/C=N/c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1	ZINC000008861060	556228297	/nfs/dbraw/zinc/22/82/97/556228297.db2.gz	FWERGIIKWSLXRL-OVVQPSECSA-N	0	0	442.540	5.350	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000008913921	556231599	/nfs/dbraw/zinc/23/15/99/556231599.db2.gz	PXAXTOAIXMWOIW-IBGZPJMESA-N	0	0	438.936	5.703	50	30		IKEARN
CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1	ZINC000008974625	556237926	/nfs/dbraw/zinc/23/79/26/556237926.db2.gz	RKAPRONBLMDNBI-HMILPKGGSA-N	0	0	440.543	6.073	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000009007668	556240248	/nfs/dbraw/zinc/24/02/48/556240248.db2.gz	GHSDRJJBTNDFKZ-HSZRJFAPSA-N	0	0	446.934	5.637	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1	ZINC000009008808	556240587	/nfs/dbraw/zinc/24/05/87/556240587.db2.gz	WHRHZLHXXNQFAM-FQEVSTJZSA-N	0	0	439.298	5.167	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC(C)C)cc1	ZINC000009041914	556241931	/nfs/dbraw/zinc/24/19/31/556241931.db2.gz	SDWFGQVANVRFCC-SANMLTNESA-N	0	0	432.564	5.884	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000009065286	556244520	/nfs/dbraw/zinc/24/45/20/556244520.db2.gz	REPOGVPKXXNEMH-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1	ZINC000009066252	556244856	/nfs/dbraw/zinc/24/48/56/556244856.db2.gz	ROZACWHXJRDJAS-LJQANCHMSA-N	0	0	448.525	5.149	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1	ZINC000009067904	556244912	/nfs/dbraw/zinc/24/49/12/556244912.db2.gz	CCIVEXPTYGLIBW-AREMUKBSSA-N	0	0	432.564	6.116	50	30	biogenic	IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000009087961	556245846	/nfs/dbraw/zinc/24/58/46/556245846.db2.gz	QEEOHGYJWWLBED-OAQYLSRUSA-N	0	0	448.862	5.027	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009109153	556247369	/nfs/dbraw/zinc/24/73/69/556247369.db2.gz	KDWXDVAGMJZEAF-NRFANRHFSA-N	0	0	448.316	5.540	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	ZINC000009113203	556247741	/nfs/dbraw/zinc/24/77/41/556247741.db2.gz	RYVDBLNLUOGLOD-QRQCRPRQSA-N	0	0	427.887	5.628	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1)c1ccc(Br)cc1	ZINC000009184952	556250497	/nfs/dbraw/zinc/25/04/97/556250497.db2.gz	FVKHOZHJJZLNMD-FQEVSTJZSA-N	0	0	434.289	5.232	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000009236054	556263902	/nfs/dbraw/zinc/26/39/02/556263902.db2.gz	YKQAWPGEECCHEK-HSZRJFAPSA-N	0	0	426.516	5.158	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1	ZINC000009246827	556267113	/nfs/dbraw/zinc/26/71/13/556267113.db2.gz	PYYUUKYQCKCTOA-QLXKLKPCSA-N	0	0	432.926	6.767	50	30		IKEARN
N#Cc1ccccc1COc1ccccc1/C=C1/S/C(=N\c2ccc(F)cc2)NC1=O	ZINC000009261317	556269257	/nfs/dbraw/zinc/26/92/57/556269257.db2.gz	UKKFGOBBEURFNA-LPYMAVHISA-N	0	0	429.476	5.168	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000009271671	556271069	/nfs/dbraw/zinc/27/10/69/556271069.db2.gz	UYZHUUDARHVZRK-FQEVSTJZSA-N	0	0	442.353	5.608	50	30		IKEARN
O=C1N/C(=N\c2ccc(Br)cc2)S[C@H]1Cc1cccc(Cl)c1Cl	ZINC000009272139	556271083	/nfs/dbraw/zinc/27/10/83/556271083.db2.gz	JPORGMDGWOQHJJ-ZDUSSCGKSA-N	0	0	430.154	5.218	50	30		IKEARN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009273838	556271664	/nfs/dbraw/zinc/27/16/64/556271664.db2.gz	CIGXJOQQVYILDJ-XMMPIXPASA-N	0	0	443.499	5.012	50	30		IKEARN
CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1	ZINC000009288231	556272424	/nfs/dbraw/zinc/27/24/24/556272424.db2.gz	MFAQQGXZODPUMT-QHCPKHFHSA-N	0	0	446.576	5.015	50	30		IKEARN
CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1=C(CCCC1=O)N2Cc1ccccc1	ZINC000009288227	556272569	/nfs/dbraw/zinc/27/25/69/556272569.db2.gz	MFAQQGXZODPUMT-HSZRJFAPSA-N	0	0	446.576	5.015	50	30		IKEARN
O=C1c2ccccc2C2=C1C(c1cc3c(cc1[N+](=O)[O-])OCO3)Sc1ccccc1N2	ZINC000009291136	556273975	/nfs/dbraw/zinc/27/39/75/556273975.db2.gz	ZCHQGVZQXKGEJO-HSZRJFAPSA-N	0	0	430.441	5.190	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009363608	556285727	/nfs/dbraw/zinc/28/57/27/556285727.db2.gz	YPIBYYRTHJTVPV-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
O=C(/C=C/c1ccccc1F)c1c(=O)[nH]c2ccc(Br)cc2c1-c1ccccc1	ZINC000009367622	556285857	/nfs/dbraw/zinc/28/58/57/556285857.db2.gz	GRBYMNOBSAWKHU-JLHYYAGUSA-N	0	0	448.291	5.993	50	30		IKEARN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccc2)cc1	ZINC000009374792	556286770	/nfs/dbraw/zinc/28/67/70/556286770.db2.gz	PYQIFMUZXFIOCF-DEOSSOPVSA-N	0	0	442.515	5.039	50	30		IKEARN
CCOc1ccccc1/C=C/C(=O)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000013715248	556286789	/nfs/dbraw/zinc/28/67/89/556286789.db2.gz	PUPQVMXQMVSIDH-NTCAYCPXSA-N	0	0	429.903	6.143	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009379705	556286811	/nfs/dbraw/zinc/28/68/11/556286811.db2.gz	XXDZLOJRLNTJLA-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
CN(Cc1ccccc1)S(=O)(=O)c1ccc(/N=C/c2ccc(Br)cc2)cc1	ZINC000009425470	556289918	/nfs/dbraw/zinc/28/99/18/556289918.db2.gz	AYULRTWIOPWGOF-HZHRSRAPSA-N	0	0	443.366	5.020	50	30		IKEARN
CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1	ZINC000009459740	556293181	/nfs/dbraw/zinc/29/31/81/556293181.db2.gz	IVLPLGXVTUYFOW-MNNSJKJDSA-N	0	0	438.571	6.479	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@H]2c1ccco1	ZINC000009482721	556294266	/nfs/dbraw/zinc/29/42/66/556294266.db2.gz	SJQMLGSBLWFRMB-SANMLTNESA-N	0	0	442.515	5.502	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)Nc3ccccc3)[C@H]2c2ccccc2)C1	ZINC000009482798	556294284	/nfs/dbraw/zinc/29/42/84/556294284.db2.gz	XTWVDJOJCIAWDK-DEOSSOPVSA-N	0	0	438.531	5.930	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12	ZINC000009546496	556297370	/nfs/dbraw/zinc/29/73/70/556297370.db2.gz	BZZXKWMOGQKOBW-WNSKOXEYSA-N	0	0	431.948	6.167	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000009546458	556297390	/nfs/dbraw/zinc/29/73/90/556297390.db2.gz	YCESPSWTHZCRKN-RUZDIDTESA-N	0	0	447.534	6.417	50	30		IKEARN
O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1	ZINC000009559934	556298878	/nfs/dbraw/zinc/29/88/78/556298878.db2.gz	JUEYCOQFLNHMEV-AUSIDOKSSA-N	0	0	427.475	5.622	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O	ZINC000013750675	556299044	/nfs/dbraw/zinc/29/90/44/556299044.db2.gz	RGFJLHSGFCIJKQ-MNWLEOAJSA-N	0	0	439.581	5.037	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1	ZINC000009559996	556299113	/nfs/dbraw/zinc/29/91/13/556299113.db2.gz	DQMUKBLCFGBICH-XJKSGUPXSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC	ZINC000009560023	556299193	/nfs/dbraw/zinc/29/91/93/556299193.db2.gz	XNQSIZHVUSNFFG-UKRRQHHQSA-N	0	0	446.330	5.015	50	30		IKEARN
O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560066	556299503	/nfs/dbraw/zinc/29/95/03/556299503.db2.gz	LWURXLAWGAYRRJ-XMSQKQJNSA-N	0	0	443.930	6.137	50	30		IKEARN
COc1ccc(C(C)N=Nc2nc(-c3ccccc3Cl)nc3ccccc32)cc1OC	ZINC000013756863	556300747	/nfs/dbraw/zinc/30/07/47/556300747.db2.gz	ZENGVGADLOCHNE-RWPZCVJISA-N	0	0	432.911	5.804	50	30		IKEARN
C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc21	ZINC000009721138	556307543	/nfs/dbraw/zinc/30/75/43/556307543.db2.gz	DDVJBTBRYMYXOR-PFMNSIPKSA-N	0	0	431.561	5.386	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1	ZINC000009851594	556314249	/nfs/dbraw/zinc/31/42/49/556314249.db2.gz	PRYOEAHVBRFDGW-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
CSc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009861353	556314980	/nfs/dbraw/zinc/31/49/80/556314980.db2.gz	CNXAMYHANVQIQJ-AREMUKBSSA-N	0	0	440.568	6.229	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1cccc(Cl)c1)N2	ZINC000009861360	556315054	/nfs/dbraw/zinc/31/50/54/556315054.db2.gz	OHMAFGPLYJZEIW-RUZDIDTESA-N	0	0	428.919	6.157	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CCCc1ccccc1	ZINC000009892551	556315638	/nfs/dbraw/zinc/31/56/38/556315638.db2.gz	NXWHGINPEJOMID-QFIPXVFZSA-N	0	0	437.370	6.919	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC	ZINC000009982673	556320132	/nfs/dbraw/zinc/32/01/32/556320132.db2.gz	QSWKHWCARMUOIP-HRAATJIYSA-N	0	0	439.602	5.313	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000009993329	556320168	/nfs/dbraw/zinc/32/01/68/556320168.db2.gz	PESMSLZLKCJSHT-FQEVSTJZSA-N	0	0	430.460	5.218	50	30		IKEARN
C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1	ZINC000010035316	556323010	/nfs/dbraw/zinc/32/30/10/556323010.db2.gz	KDUKQIGZEHYLQG-OWJWWREXSA-N	0	0	432.907	6.000	50	30		IKEARN
COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000010035308	556323025	/nfs/dbraw/zinc/32/30/25/556323025.db2.gz	KQYMAEBHQWVZEK-CLYVBNDRSA-N	0	0	438.527	5.762	50	30		IKEARN
COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000010035309	556323040	/nfs/dbraw/zinc/32/30/40/556323040.db2.gz	KQYMAEBHQWVZEK-MYUZEXMDSA-N	0	0	438.527	5.762	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1	ZINC000010035303	556323131	/nfs/dbraw/zinc/32/31/31/556323131.db2.gz	XUAGXEOBLFQHEV-HFJWLAOPSA-N	0	0	447.987	7.008	50	30		IKEARN
C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1	ZINC000010035314	556323144	/nfs/dbraw/zinc/32/31/44/556323144.db2.gz	KDUKQIGZEHYLQG-MYYSRTQBSA-N	0	0	432.907	6.000	50	30		IKEARN
C=CCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccc(Cl)cc1Cl	ZINC000032754432	556323641	/nfs/dbraw/zinc/32/36/41/556323641.db2.gz	WEDXXOPOQYZCMT-LLVKDONJSA-N	0	0	438.384	5.972	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000013881079	556325942	/nfs/dbraw/zinc/32/59/42/556325942.db2.gz	WDLXOKWWOKRWLN-HAHDFKILSA-N	0	0	447.579	6.422	50	30		IKEARN
FC(F)(F)c1nc(/N=C/c2ccc(Cl)cc2Cl)sc1-c1ccc(Cl)cc1	ZINC000013881975	556326580	/nfs/dbraw/zinc/32/65/80/556326580.db2.gz	FMVGYZGCOGZHPZ-KTZMUZOWSA-N	0	0	435.685	7.540	50	30		IKEARN
N#Cc1c(/N=C/N2CCCCCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1	ZINC000013895488	556328935	/nfs/dbraw/zinc/32/89/35/556328935.db2.gz	SQCNKEDYQDNTNZ-DFKUXCBWSA-N	0	0	448.570	6.871	50	30		IKEARN
O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1)c1cccc(Br)c1	ZINC000013898229	556330547	/nfs/dbraw/zinc/33/05/47/556330547.db2.gz	BUOLNCLBADJKTO-FSJBWODESA-N	0	0	429.701	5.811	50	30		IKEARN
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1cc(C)cc(C)c1	ZINC000013940678	556338016	/nfs/dbraw/zinc/33/80/16/556338016.db2.gz	GAXHCTVFFYMXAL-YZSQISJMSA-N	0	0	449.507	5.514	50	30		IKEARN
Brc1ccc(OCc2ccccc2)c(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000013940987	556338156	/nfs/dbraw/zinc/33/81/56/556338156.db2.gz	BAYRRXGVQGRRQA-YDZHTSKRSA-N	0	0	438.350	6.084	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCCCOc2ccccc2Cl)cc1	ZINC000013940744	556338212	/nfs/dbraw/zinc/33/82/12/556338212.db2.gz	DNTBTMHMYDRDOK-LFVJCYFKSA-N	0	0	425.872	5.542	50	30		IKEARN
O=C1C=CC(=[NH+][N-]c2ccc(Br)cc2)C=C1C=Nc1cccc2ccccc21	ZINC000013940896	556338218	/nfs/dbraw/zinc/33/82/18/556338218.db2.gz	FQVQOMKEKBQWPU-RVTFTXCGSA-N	0	0	430.305	7.474	50	30		IKEARN
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cccn1-c1ccc(Br)cc1	ZINC000013941778	556338625	/nfs/dbraw/zinc/33/86/25/556338625.db2.gz	XLWSKUBLWXTHOA-PDGQHHTCSA-N	0	0	442.313	5.271	50	30		IKEARN
O=C1CSC(=S)N1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000013961179	556348965	/nfs/dbraw/zinc/34/89/65/556348965.db2.gz	RXMPVYNYQMSXJU-PTXOJBNSSA-N	0	0	435.741	5.013	50	30		IKEARN
CC(=O)Nc1s/c(=N\N=C/c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	ZINC000032623431	556410752	/nfs/dbraw/zinc/41/07/52/556410752.db2.gz	ZHJCNYGEUIMWPH-CIPAVPIUSA-N	0	0	426.545	5.407	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C	ZINC000032828898	556413255	/nfs/dbraw/zinc/41/32/55/556413255.db2.gz	ABLGNCLFNSDTPG-FQEVSTJZSA-N	0	0	425.579	5.033	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1	ZINC000032828839	556413285	/nfs/dbraw/zinc/41/32/85/556413285.db2.gz	JFJZDFCBSSSARC-QFIPXVFZSA-N	0	0	445.569	5.269	50	30		IKEARN
Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1	ZINC000014944514	556459364	/nfs/dbraw/zinc/45/93/64/556459364.db2.gz	IPHQYXBFPOIGLR-RZFJZAQRSA-N	0	0	428.919	5.784	50	30		IKEARN
O=C(Oc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1)c1ccc(Cl)cc1	ZINC000015011697	556483540	/nfs/dbraw/zinc/48/35/40/556483540.db2.gz	CTWRELATGGZUTG-XSFVSMFZSA-N	0	0	434.904	5.451	50	30		IKEARN
O=C1NC(=Nc2ccc(Cl)cc2)SC1=C1c2ccccc2N(Cc2ccccc2)C1=O	ZINC000015015709	556484848	/nfs/dbraw/zinc/48/48/48/556484848.db2.gz	BTMOZMHKLNRTCM-MRCUWXFGSA-N	0	0	445.931	5.989	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000015018138	556486798	/nfs/dbraw/zinc/48/67/98/556486798.db2.gz	NGXRSFDDJYYEKR-LMTJQJACSA-N	0	0	444.556	6.216	50	30		IKEARN
Cc1ccc(NC(=O)COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1C	ZINC000015018611	556487263	/nfs/dbraw/zinc/48/72/63/556487263.db2.gz	NHCPPJWOIKBRJX-AFUMVMLFSA-N	0	0	430.533	5.377	50	30		IKEARN
COc1cc(C=NNc2cccc(C)c2)cc(Br)c1OCc1ccccc1	ZINC000032705944	556498626	/nfs/dbraw/zinc/49/86/26/556498626.db2.gz	MPJNJIKXLRADTI-OYKKKHCWSA-N	0	0	425.326	5.791	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	ZINC000003082727	556518584	/nfs/dbraw/zinc/51/85/84/556518584.db2.gz	KOQSZCCYWDCYKO-BHGWPJFGSA-N	0	0	449.677	6.525	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1Br	ZINC000003083394	556518696	/nfs/dbraw/zinc/51/86/96/556518696.db2.gz	CGQNYBLQVLRXQP-DHRITJCHSA-N	0	0	435.321	6.633	50	30		IKEARN
CCCCCCCCCCS(=O)(=O)Nc1cc(Br)c2cccnc2c1	ZINC000003092389	556519927	/nfs/dbraw/zinc/51/99/27/556519927.db2.gz	KZDRMASKQSPSBH-UHFFFAOYSA-N	0	0	427.408	5.880	50	30		IKEARN
N#Cc1cccc(/N=c2\oc3c(Cl)cc(Cl)cc3cc2C(=O)Nc2ccccc2)c1	ZINC000004424761	556526816	/nfs/dbraw/zinc/52/68/16/556526816.db2.gz	VZCKERGBTJQZLD-NFFVHWSESA-N	0	0	434.282	6.096	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC	ZINC000031854465	556527225	/nfs/dbraw/zinc/52/72/25/556527225.db2.gz	LRFGGRBSEBBYMH-FBHDLOMBSA-N	0	0	448.342	5.044	50	30	biogenic,in-vitro	IKEARN
CC(=O)N(c1nc(CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1	ZINC000072305320	556553564	/nfs/dbraw/zinc/55/35/64/556553564.db2.gz	QBXBEBVLSQZLFW-LOSJGSFVSA-N	0	0	444.604	5.716	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(Cl)c(OC)c3)c12	ZINC000015822716	556553945	/nfs/dbraw/zinc/55/39/45/556553945.db2.gz	PRCJGTXFXJLODG-MDZDMXLPSA-N	0	0	440.330	5.995	50	30		IKEARN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccs2)cc1	ZINC000015826285	556554221	/nfs/dbraw/zinc/55/42/21/556554221.db2.gz	CHUMWJBCGUVNFZ-VWLOTQADSA-N	0	0	442.584	6.513	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1cccs1	ZINC000015826253	556554288	/nfs/dbraw/zinc/55/42/88/556554288.db2.gz	DQVKWHBFOOKMBA-DEOSSOPVSA-N	0	0	443.572	6.597	50	30		IKEARN
COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)cc1	ZINC000015837159	556555993	/nfs/dbraw/zinc/55/59/93/556555993.db2.gz	ZOTOCPNECSZKGW-QINSGFPZSA-N	0	0	425.444	5.352	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(C)=O)c1	ZINC000015945275	556566832	/nfs/dbraw/zinc/56/68/32/556566832.db2.gz	RVJTWKGUORAROP-ZMPCKTLKSA-N	0	0	437.590	5.663	50	30		IKEARN
CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1OCC)CCC2	ZINC000015945635	556566835	/nfs/dbraw/zinc/56/68/35/556566835.db2.gz	YUNCRGUVZOMIDE-WGOQTCKBSA-N	0	0	434.561	6.037	50	30		IKEARN
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C)C3)c1	ZINC000015946516	556567404	/nfs/dbraw/zinc/56/74/04/556567404.db2.gz	ZUJNXOYFMXQPHZ-WBILBPDKSA-N	0	0	434.561	5.893	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000001175427	556574238	/nfs/dbraw/zinc/57/42/38/556574238.db2.gz	GNFWYUKPEKUBAW-OAQYLSRUSA-N	0	0	444.428	5.451	50	30		IKEARN
O=c1[nH]c2ccc(/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)cc2[nH]1	ZINC000001192739	556574405	/nfs/dbraw/zinc/57/44/05/556574405.db2.gz	USCXXYXHONJYON-KBKYJPHKSA-N	0	0	435.314	5.917	50	30		IKEARN
C/C(CCc1oc2c(cc(Br)cc2Br)c1-c1ccc(C)o1)=N\O	ZINC000100544709	556579968	/nfs/dbraw/zinc/57/99/68/556579968.db2.gz	KVQXCZPUDTWREV-AWQFTUOYSA-N	0	0	441.119	6.309	50	30		IKEARN
N=C(NOC(=O)c1ccccc1Cl)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	ZINC000034871126	556584819	/nfs/dbraw/zinc/58/48/19/556584819.db2.gz	ZVCNNXWGJIHXKG-UHFFFAOYSA-N	0	0	435.789	5.023	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c1C	ZINC000032971758	556589534	/nfs/dbraw/zinc/58/95/34/556589534.db2.gz	SBMXOZOQTRGILT-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccccc1C	ZINC000032972312	556590288	/nfs/dbraw/zinc/59/02/88/556590288.db2.gz	CUAXCMYMEYEXMM-UHFFFAOYSA-N	0	0	431.584	5.041	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(Cl)cc1C	ZINC000032972362	556590701	/nfs/dbraw/zinc/59/07/01/556590701.db2.gz	UJUIFWPREHFQDK-UHFFFAOYSA-N	0	0	444.366	5.050	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cccc(C)c1C	ZINC000032972329	556590736	/nfs/dbraw/zinc/59/07/36/556590736.db2.gz	HWJNHQKFQIHCND-UHFFFAOYSA-N	0	0	445.611	5.349	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(C(C)C)cc1	ZINC000032972656	556591075	/nfs/dbraw/zinc/59/10/75/556591075.db2.gz	PHIRYIXBYPKOND-UHFFFAOYSA-N	0	0	435.547	5.006	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c(C)n1	ZINC000032972848	556591499	/nfs/dbraw/zinc/59/14/99/556591499.db2.gz	HUBNXBIKEKCUKW-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
COc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)o1	ZINC000016215044	556591578	/nfs/dbraw/zinc/59/15/78/556591578.db2.gz	UQVVHUFUERUTQO-HCBMXOAHSA-N	0	0	427.285	5.005	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c(C)n1	ZINC000032973007	556591997	/nfs/dbraw/zinc/59/19/97/556591997.db2.gz	MJLOJGXPRSXUAX-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(CC)c2)c(C)n1	ZINC000032972933	556592609	/nfs/dbraw/zinc/59/26/09/556592609.db2.gz	REZNVYHIWCQDFI-UHFFFAOYSA-N	0	0	431.584	5.179	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C	ZINC000032973220	556593255	/nfs/dbraw/zinc/59/32/55/556593255.db2.gz	DDGYWPKPSAMYER-UHFFFAOYSA-N	0	0	445.611	5.194	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1cc(C)cc(C)c1)NCCc1c(C)nn(CC)c1C	ZINC000032973336	556593834	/nfs/dbraw/zinc/59/38/34/556593834.db2.gz	OIKWPQWRQSPRJZ-UHFFFAOYSA-N	0	0	445.611	5.140	50	30		IKEARN
Cc1cc(-c2ccc(/C=C3\S/C(=N/c4ccccc4Cl)NC3=O)o2)ccc1[N+](=O)[O-]	ZINC000016283210	556596730	/nfs/dbraw/zinc/59/67/30/556596730.db2.gz	WHWAPFYASGRGBF-ODLFYWEKSA-N	0	0	439.880	5.708	50	30		IKEARN
CCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)c(O)c1	ZINC000016310186	556599297	/nfs/dbraw/zinc/59/92/97/556599297.db2.gz	ITQLCZJVFBUMOY-YUMHPJSZSA-N	0	0	428.467	5.500	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2ccc(Cl)c(Cl)c2)c2ccccc2S1(=O)=O	ZINC000032984131	556603286	/nfs/dbraw/zinc/60/32/86/556603286.db2.gz	IPNFNCFAEZQJHX-UHFFFAOYSA-N	0	0	430.312	5.643	50	30		IKEARN
CC(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1	ZINC000032984224	556603463	/nfs/dbraw/zinc/60/34/63/556603463.db2.gz	WHLAJBDAUMMFLT-UHFFFAOYSA-N	0	0	437.948	6.113	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984429	556603661	/nfs/dbraw/zinc/60/36/61/556603661.db2.gz	WIBGKDBCYYWWRV-UHFFFAOYSA-N	0	0	425.456	5.231	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984291	556604042	/nfs/dbraw/zinc/60/40/42/556604042.db2.gz	CXYSUFMOZUIJBD-UHFFFAOYSA-N	0	0	433.529	5.297	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984314	556604089	/nfs/dbraw/zinc/60/40/89/556604089.db2.gz	IUKQRVHDSGRLSV-UHFFFAOYSA-N	0	0	441.455	5.013	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)c(C)c1	ZINC000032984285	556604094	/nfs/dbraw/zinc/60/40/94/556604094.db2.gz	XSBQDUOTUYLEDJ-UHFFFAOYSA-N	0	0	437.948	5.915	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(Cl)c2)c2cc(F)ccc2S1(=O)=O	ZINC000032984401	556604353	/nfs/dbraw/zinc/60/43/53/556604353.db2.gz	VJBCJJVZTSWRFD-UHFFFAOYSA-N	0	0	448.302	5.782	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1	ZINC000016426534	556606852	/nfs/dbraw/zinc/60/68/52/556606852.db2.gz	WXNCEAQGONUWPI-CRYYWNKWSA-N	0	0	444.506	5.822	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2ccc(-c3ccc(Br)cc3)o2)c(F)c1F	ZINC000016429476	556607230	/nfs/dbraw/zinc/60/72/30/556607230.db2.gz	OZDSIHCEQOSVJS-HCBMXOAHSA-N	0	0	431.158	5.851	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1	ZINC000016447593	556608038	/nfs/dbraw/zinc/60/80/38/556608038.db2.gz	DGXSOXOBGCYYPX-LADGPHEKSA-N	0	0	437.539	5.578	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2OCc2ccccc2)cc1	ZINC000016447595	556608083	/nfs/dbraw/zinc/60/80/83/556608083.db2.gz	DGXSOXOBGCYYPX-ISKFKSNPSA-N	0	0	437.539	5.578	50	30		IKEARN
Oc1ccccc1/C=N/c1ccc(-c2nc3cc(/N=C/c4ccccc4O)ccc3o2)cc1	ZINC000016449123	556608965	/nfs/dbraw/zinc/60/89/65/556608965.db2.gz	ZCTHBMAKHKOVOW-LPHFKDDMSA-N	0	0	433.467	6.407	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(=O)CC)c1ccccc1-2	ZINC000032997100	556609293	/nfs/dbraw/zinc/60/92/93/556609293.db2.gz	HNKVCEJYWCIEKT-HSZRJFAPSA-N	0	0	445.548	5.137	50	30		IKEARN
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(N=NCc3ccccc3O)n2)cc1OC	ZINC000016671564	556621565	/nfs/dbraw/zinc/62/15/65/556621565.db2.gz	IIXDPFUYJOOTOY-JVWAILMASA-N	0	0	440.503	5.288	50	30		IKEARN
CN(C)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000016667329	556621710	/nfs/dbraw/zinc/62/17/10/556621710.db2.gz	SCZDWWWCUJAVTH-HXNPFYCNSA-N	0	0	427.573	5.425	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)ccc1O	ZINC000016677588	556622688	/nfs/dbraw/zinc/62/26/88/556622688.db2.gz	PYILQEFUPOGNQY-ZMOGYAJESA-N	0	0	449.308	5.220	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)cc1OC	ZINC000033712409	556623936	/nfs/dbraw/zinc/62/39/36/556623936.db2.gz	FEYADLYHVICVKM-SQFISAMPSA-N	0	0	437.499	5.406	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000033711272	556625666	/nfs/dbraw/zinc/62/56/66/556625666.db2.gz	VMZONVWPTOGZEA-UBFVSLLYSA-N	0	0	435.914	5.624	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1	ZINC000016689190	556626973	/nfs/dbraw/zinc/62/69/73/556626973.db2.gz	HBAZJXWSXXDZGY-XQNSMLJCSA-N	0	0	430.529	5.556	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016731757	556631373	/nfs/dbraw/zinc/63/13/73/556631373.db2.gz	TZZSGINJMGTZAB-QHCPKHFHSA-N	0	0	433.479	5.629	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000016735780	556633244	/nfs/dbraw/zinc/63/32/44/556633244.db2.gz	FOTAODVASHTWEO-RUZDIDTESA-N	0	0	425.528	5.897	50	30		IKEARN
Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1	ZINC000016739193	556634011	/nfs/dbraw/zinc/63/40/11/556634011.db2.gz	LFPHMBOIEXIZCV-PSCYQSDVSA-N	0	0	429.545	5.468	50	30		IKEARN
CCOC(=O)Nc1sc(N=NCc2ccc(O)c(OCC)c2)nc1-c1ccc(C)cc1	ZINC000016751493	556637496	/nfs/dbraw/zinc/63/74/96/556637496.db2.gz	MIYJFOUQMSPWEF-YDZHTSKRSA-N	0	0	440.525	5.237	50	30		IKEARN
CCOC(=O)Nc1sc(N=NCc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1	ZINC000016751476	556637527	/nfs/dbraw/zinc/63/75/27/556637527.db2.gz	LEAQEZSQLUXUMZ-MFKUBSTISA-N	0	0	436.581	6.430	50	30		IKEARN
O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(F)cc1)c1ccccc1	ZINC000016751468	556637545	/nfs/dbraw/zinc/63/75/45/556637545.db2.gz	TYDQMROCRGEKDP-MPCPQKGKSA-N	0	0	442.519	6.313	50	30		IKEARN
CC[C@@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779345	556640978	/nfs/dbraw/zinc/64/09/78/556640978.db2.gz	APMCBNXDEBYPDP-PIGZYNQJSA-N	0	0	429.611	5.231	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(F)cc2)cc1C	ZINC000016804839	556643363	/nfs/dbraw/zinc/64/33/63/556643363.db2.gz	KQZBNVXCBKXCQO-QHCPKHFHSA-N	0	0	446.478	5.101	50	30		IKEARN
CC(C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2	ZINC000016807385	556644439	/nfs/dbraw/zinc/64/44/39/556644439.db2.gz	VAEOSPLUXZLREG-INIZCTEOSA-N	0	0	429.973	5.124	50	30		IKEARN
COc1cccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1	ZINC000016960306	556651233	/nfs/dbraw/zinc/65/12/33/556651233.db2.gz	MAHQIFUZWWHCIF-FQEVSTJZSA-N	0	0	445.544	5.048	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000016995576	556652381	/nfs/dbraw/zinc/65/23/81/556652381.db2.gz	CFJQPANDIBUDTP-FQEVSTJZSA-N	0	0	434.289	5.232	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)sc2C1	ZINC000033000077	556653966	/nfs/dbraw/zinc/65/39/66/556653966.db2.gz	WEKULDGCPFUSPF-ZDUSSCGKSA-N	0	0	440.956	5.409	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)cc1	ZINC000017044128	556654064	/nfs/dbraw/zinc/65/40/64/556654064.db2.gz	CYZDTEZSZIBLNC-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1ccc(C(C)C)cc1	ZINC000017045489	556654356	/nfs/dbraw/zinc/65/43/56/556654356.db2.gz	BTPULVLKVMVCHX-HXUWFJFHSA-N	0	0	442.350	5.938	50	30		IKEARN
N#CC(=NNc1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1	ZINC000011853086	556662998	/nfs/dbraw/zinc/66/29/98/556662998.db2.gz	XZPYWJWCOKJINJ-LGUFXXKBSA-N	0	0	433.334	6.066	50	30		IKEARN
O=C(ON=C1CCCCC1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1	ZINC000017100784	556665696	/nfs/dbraw/zinc/66/56/96/556665696.db2.gz	PKKQTMCDLSVNMW-UHFFFAOYSA-N	0	0	436.821	5.545	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(Cl)cc2Cl)C3=O)cc1	ZINC000011869540	556667692	/nfs/dbraw/zinc/66/76/92/556667692.db2.gz	ICAZQFGVSBXSKP-FBHDLOMBSA-N	0	0	441.266	5.837	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)cc(OC)c1OC	ZINC000011869120	556667803	/nfs/dbraw/zinc/66/78/03/556667803.db2.gz	XOYQHHBRTNBRKN-JJFYIABZSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2	ZINC000017113159	556668055	/nfs/dbraw/zinc/66/80/55/556668055.db2.gz	MGQLKWGCENGDDV-KRWDZBQOSA-N	0	0	429.611	5.170	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(F)c1	ZINC000017124858	556668874	/nfs/dbraw/zinc/66/88/74/556668874.db2.gz	VQABUBVJJRBHPY-FQEVSTJZSA-N	0	0	432.417	5.531	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000017145801	556669937	/nfs/dbraw/zinc/66/99/37/556669937.db2.gz	FFBCYWJTOBHJQY-GTZNUUOLSA-N	0	0	432.545	5.349	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000017167321	556671178	/nfs/dbraw/zinc/67/11/78/556671178.db2.gz	ALIODALURXVDNP-NHDPSOOVSA-N	0	0	439.943	6.087	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000017167372	556671182	/nfs/dbraw/zinc/67/11/82/556671182.db2.gz	HHSWCDIMZGCQOS-GOESLVMASA-N	0	0	431.561	6.113	50	30		IKEARN
O=C(NCc1ccccc1)c1c(/N=C\c2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000017167116	556671212	/nfs/dbraw/zinc/67/12/12/556671212.db2.gz	MUQBGVONZVWWRL-YUMHPJSZSA-N	0	0	432.545	5.079	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2	ZINC000017189567	556672219	/nfs/dbraw/zinc/67/22/19/556672219.db2.gz	BPTXLLNOTVPMHX-LJQANCHMSA-N	0	0	449.963	5.692	50	30		IKEARN
COc1cc(C=C2SC(=Nc3ccc(Br)cc3)NC2=O)cc(OC)c1OC	ZINC000017196739	556672901	/nfs/dbraw/zinc/67/29/01/556672901.db2.gz	HALFXRUOFHFOMU-YBEGLDIGSA-N	0	0	449.326	5.207	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccccc1F	ZINC000011914359	556673815	/nfs/dbraw/zinc/67/38/15/556673815.db2.gz	ZDZRPDQAASTLEJ-JOCHJYFZSA-N	0	0	425.500	5.239	50	30		IKEARN
CCCCCCCCS(=O)(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000109879169	556675935	/nfs/dbraw/zinc/67/59/35/556675935.db2.gz	SYUOSPPTWRIEBK-JJIBRWJFSA-N	0	0	437.005	5.533	50	30		IKEARN
N#Cc1c(/N=C/c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1	ZINC000100812370	556676500	/nfs/dbraw/zinc/67/65/00/556676500.db2.gz	LMTFFZBZWLWLAH-JVWAILMASA-N	0	0	427.301	6.998	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3cccc4ccccc43)NC2=O)cc(Cl)c1OC	ZINC000033862415	556678820	/nfs/dbraw/zinc/67/88/20/556678820.db2.gz	YEYFMRSTOIVOPM-MOSHPQCFSA-N	0	0	438.936	5.792	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1	ZINC000017992519	556681268	/nfs/dbraw/zinc/68/12/68/556681268.db2.gz	BFVILGZACDUFHH-CCLHPLFOSA-N	0	0	438.527	5.899	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000018057033	556682424	/nfs/dbraw/zinc/68/24/24/556682424.db2.gz	RFGAFOURCLUOMA-HRFSGMKKSA-N	0	0	442.946	6.261	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1	ZINC000018106877	556684139	/nfs/dbraw/zinc/68/41/39/556684139.db2.gz	WDWAQXJHXSWBCK-XHCCPWGMSA-N	0	0	426.516	5.683	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)nc1	ZINC000018130612	556684502	/nfs/dbraw/zinc/68/45/02/556684502.db2.gz	AZLOQVQAYLALKF-FQEVSTJZSA-N	0	0	442.346	5.303	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000018155898	556685270	/nfs/dbraw/zinc/68/52/70/556685270.db2.gz	AUGPVCVOLVUIRU-NSYGIPOTSA-N	0	0	432.907	5.854	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2)n1	ZINC000018158755	556685565	/nfs/dbraw/zinc/68/55/65/556685565.db2.gz	ZBAXQWXIPWNLPL-UHFFFAOYSA-N	0	0	429.311	5.512	50	30	aggregator	IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000018188243	556686133	/nfs/dbraw/zinc/68/61/33/556686133.db2.gz	LGCLOXHLFLSDOV-MHECFPHRSA-N	0	0	437.926	6.035	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000018206709	556686916	/nfs/dbraw/zinc/68/69/16/556686916.db2.gz	RFGAFOURCLUOMA-DCFHFQCYSA-N	0	0	442.946	6.261	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1	ZINC000018250737	556688487	/nfs/dbraw/zinc/68/84/87/556688487.db2.gz	AKKBVQSJPCVNPB-SSOJOUAXSA-N	0	0	432.520	5.808	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000018286679	556689315	/nfs/dbraw/zinc/68/93/15/556689315.db2.gz	VFTKHMOCXQDQJR-AREMUKBSSA-N	0	0	444.619	6.783	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2Cl)cc1	ZINC000018286044	556689378	/nfs/dbraw/zinc/68/93/78/556689378.db2.gz	HPNULZLDPIMLNF-WGDIFIGCSA-N	0	0	430.935	6.328	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)ccc1Cl	ZINC000003115309	556691195	/nfs/dbraw/zinc/69/11/95/556691195.db2.gz	HBMSGJFLISIJPS-YSURURNPSA-N	0	0	446.677	7.114	50	30		IKEARN
N#Cc1c(NC(=O)c2ccccc2Br)oc(-c2ccccc2)c1-c1ccccc1	ZINC000013616262	556702181	/nfs/dbraw/zinc/70/21/81/556702181.db2.gz	HAFGLZYGTJAFPA-UHFFFAOYSA-N	0	0	443.300	6.500	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O	ZINC000033026448	556703191	/nfs/dbraw/zinc/70/31/91/556703191.db2.gz	ITOCUDZKPBQEBU-MWTRTKDXSA-N	0	0	448.544	5.377	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2	ZINC000033026458	556703569	/nfs/dbraw/zinc/70/35/69/556703569.db2.gz	CEDOFBNGFVTUKT-LAJNKCICSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)cc1C	ZINC000033027189	556704665	/nfs/dbraw/zinc/70/46/65/556704665.db2.gz	WNRBFUYTCMEEEV-UHFFFAOYSA-N	0	0	425.488	5.565	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000013635511	556705314	/nfs/dbraw/zinc/70/53/14/556705314.db2.gz	SPICJYJHSFWNHN-YTFSRNRJSA-N	0	0	441.943	5.686	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c(OC)c1	ZINC000033896862	556722329	/nfs/dbraw/zinc/72/23/29/556722329.db2.gz	YXYBNAMSWOQJQG-GATIEOLUSA-N	0	0	436.821	5.279	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2ccc(F)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000033912136	556723677	/nfs/dbraw/zinc/72/36/77/556723677.db2.gz	YFCXOURGOFDMKA-LDADJPATSA-N	0	0	433.435	5.416	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2ncccc2c1	ZINC000033921174	556731387	/nfs/dbraw/zinc/73/13/87/556731387.db2.gz	QNDXIMOAPNZAPA-UVTDQMKNSA-N	0	0	434.926	7.308	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)CCCC/C1=C\c1ccc(Cl)cc1Cl	ZINC000033927900	556733251	/nfs/dbraw/zinc/73/32/51/556733251.db2.gz	RVCZFIMQQWQFTP-KAVGSWPWSA-N	0	0	426.170	7.910	50	30		IKEARN
CN(C)/C=C/C(=O)c1cnc(N(C(=O)c2ccccc2)c2cccc(C(F)(F)F)c2)s1	ZINC000221581275	556734540	/nfs/dbraw/zinc/73/45/40/556734540.db2.gz	XZAXSKIJIDEQSW-VAWYXSNFSA-N	0	0	445.466	5.398	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1	ZINC000072333066	556749593	/nfs/dbraw/zinc/74/95/93/556749593.db2.gz	LGWIRWAGRWOHLZ-XMMPIXPASA-N	0	0	443.547	5.399	50	30		IKEARN
C#CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br	ZINC000409122098	556761931	/nfs/dbraw/zinc/76/19/31/556761931.db2.gz	XIADUGAXBLETDW-UHFFFAOYSA-N	0	0	439.147	5.234	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(-n2nnc3ccccc32)c1Cc1ccc(Cl)cc1	ZINC000005354649	556767668	/nfs/dbraw/zinc/76/76/68/556767668.db2.gz	QXUWLQUHBVXJRK-UHFFFAOYSA-N	0	0	448.917	5.646	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccs1	ZINC000034118274	556772450	/nfs/dbraw/zinc/77/24/50/556772450.db2.gz	XQRHHEAEMRWLDQ-ZLNRFVROSA-N	0	0	441.943	5.686	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c2ccccc2cc2ccccc21	ZINC000019535709	556793922	/nfs/dbraw/zinc/79/39/22/556793922.db2.gz	VDXADYOWHQEHPH-HHHXNRCGSA-N	0	0	439.555	6.160	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1	ZINC000019536175	556794089	/nfs/dbraw/zinc/79/40/89/556794089.db2.gz	DJZBLXGFFYGOPQ-VWLOTQADSA-N	0	0	431.532	5.185	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535734	556794170	/nfs/dbraw/zinc/79/41/70/556794170.db2.gz	UXUBQWVFBCBFGT-NRFANRHFSA-N	0	0	447.497	5.795	50	30		IKEARN
N#CCCN(C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl)c1ccccc1	ZINC000003279098	556808169	/nfs/dbraw/zinc/80/81/69/556808169.db2.gz	LVVUPLVVVDKREJ-UHFFFAOYSA-N	0	0	448.906	5.023	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)sc2C1	ZINC000003353610	556813848	/nfs/dbraw/zinc/81/38/48/556813848.db2.gz	IIPUGRXWMHIORJ-QGZVFWFLSA-N	0	0	444.556	5.058	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000005481207	556817160	/nfs/dbraw/zinc/81/71/60/556817160.db2.gz	UOCUEIOMIAYZNI-SWYXJYPRSA-N	0	0	428.613	5.468	50	30	biogenic,in-vitro	IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000019630395	556832313	/nfs/dbraw/zinc/83/23/13/556832313.db2.gz	VSKLXCJSVVBUIF-IQMFZBJNSA-N	0	0	439.602	5.657	50	30		IKEARN
FC(F)(F)c1cnc(-c2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1	ZINC000022996423	556833558	/nfs/dbraw/zinc/83/35/58/556833558.db2.gz	URUBEKJNXKRDKP-YPXUMCKCSA-N	0	0	425.237	6.625	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019634631	556834456	/nfs/dbraw/zinc/83/44/56/556834456.db2.gz	USDMBBGSNOGXPP-AMGIVPHBSA-N	0	0	441.571	5.924	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019643584	556838341	/nfs/dbraw/zinc/83/83/41/556838341.db2.gz	GSKDVKZRDSPPOD-AFMDSPMNSA-N	0	0	445.534	5.673	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019643578	556838403	/nfs/dbraw/zinc/83/84/03/556838403.db2.gz	GSKDVKZRDSPPOD-NIYFSFCBSA-N	0	0	445.534	5.673	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000019643772	556838506	/nfs/dbraw/zinc/83/85/06/556838506.db2.gz	VYWAPTRTHADXDU-AREMUKBSSA-N	0	0	445.559	5.433	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000019643784	556838565	/nfs/dbraw/zinc/83/85/65/556838565.db2.gz	LYBMJVAFISFUSN-RXFWQSSRSA-N	0	0	445.559	5.256	50	30		IKEARN
O=C(NC(NCc1cccc(C(F)(F)F)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000097949735	556840614	/nfs/dbraw/zinc/84/06/14/556840614.db2.gz	YTZPQOMSLNKRTL-UHFFFAOYSA-N	0	0	444.297	5.046	50	30		IKEARN
O=C(/C=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1	ZINC000096793847	556845740	/nfs/dbraw/zinc/84/57/40/556845740.db2.gz	KQKZCOCKAQRIPF-NTMALXAHSA-N	0	0	438.321	5.442	50	30		IKEARN
C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)c1ccccc1	ZINC000096803785	556846318	/nfs/dbraw/zinc/84/63/18/556846318.db2.gz	JDVSIHZJXICDCV-FRQJIFLKSA-N	0	0	447.585	5.722	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3	ZINC000097950326	556848484	/nfs/dbraw/zinc/84/84/84/556848484.db2.gz	NFFHHPNVJGRSRY-UHFFFAOYSA-N	0	0	441.666	5.806	50	30		IKEARN
CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)cc2Cl)s1	ZINC000097951538	556848630	/nfs/dbraw/zinc/84/86/30/556848630.db2.gz	DFJULOPMUKHWBK-UHFFFAOYSA-N	0	0	443.444	7.562	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(C)cc2)C1	ZINC000097952916	556849649	/nfs/dbraw/zinc/84/96/49/556849649.db2.gz	RNKOBFACQDCZQT-HSZRJFAPSA-N	0	0	431.624	7.006	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21	ZINC000097952673	556849930	/nfs/dbraw/zinc/84/99/30/556849930.db2.gz	PHBKZLOCETYLJM-UHFFFAOYSA-N	0	0	433.600	5.757	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O	ZINC000097954125	556850233	/nfs/dbraw/zinc/85/02/33/556850233.db2.gz	SENMYFYAAGGFKY-UHFFFAOYSA-N	0	0	425.536	5.313	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000097954404	556850554	/nfs/dbraw/zinc/85/05/54/556850554.db2.gz	GKYPMMOJAPYGJJ-NRFANRHFSA-N	0	0	433.596	6.316	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC	ZINC000033097107	556858664	/nfs/dbraw/zinc/85/86/64/556858664.db2.gz	UJPJRKNWBKBOKH-CGINZGNNSA-N	0	0	436.577	6.031	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1	ZINC000033097108	556858676	/nfs/dbraw/zinc/85/86/76/556858676.db2.gz	WHAQREIOMFWERS-HCNWTGQWSA-N	0	0	431.388	6.930	50	30		IKEARN
Cc1ccc(/C=C\C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)o1	ZINC000033246271	556889461	/nfs/dbraw/zinc/88/94/61/556889461.db2.gz	XLGJFDCEFSNHSL-BENRWUELSA-N	0	0	434.289	5.755	50	30		IKEARN
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C/c1ccc(-c2ccc(F)cc2)o1	ZINC000033247569	556889643	/nfs/dbraw/zinc/88/96/43/556889643.db2.gz	RBJJAWPBKHYHSE-ARHRGINZSA-N	0	0	442.461	7.705	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F	ZINC000019761927	556906033	/nfs/dbraw/zinc/90/60/33/556906033.db2.gz	VNVRIFOIKKKMRY-IVZQSRNASA-N	0	0	425.887	5.014	50	30		IKEARN
CSc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000019770762	556912788	/nfs/dbraw/zinc/91/27/88/556912788.db2.gz	TXKMGHFTPVRGSX-XMMPIXPASA-N	0	0	433.573	5.162	50	30		IKEARN
CC(C)(C)c1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O	ZINC000019773327	556913501	/nfs/dbraw/zinc/91/35/01/556913501.db2.gz	DMOZLAGCWRPREW-OGLMXYFKSA-N	0	0	442.047	5.792	50	30		IKEARN
O=C1c2ccccc2C2=C1C1(c3cccc4cccc(c34)C1=O)C1=C(N2)c2ccccc2C1=O	ZINC000019795177	556916284	/nfs/dbraw/zinc/91/62/84/556916284.db2.gz	VBQWYJSORXLZFX-UHFFFAOYSA-N	0	0	437.454	5.092	50	30		IKEARN
C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(\C)c1ccc(F)cc1	ZINC000019800820	556917841	/nfs/dbraw/zinc/91/78/41/556917841.db2.gz	QEDZPCJTDQBXSY-INEPJFIPSA-N	0	0	449.473	5.297	50	30		IKEARN
C=CCOc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl	ZINC000019804666	556917926	/nfs/dbraw/zinc/91/79/26/556917926.db2.gz	FZBOJNQJTOHFSM-NRFANRHFSA-N	0	0	435.907	5.036	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019830812	556926224	/nfs/dbraw/zinc/92/62/24/556926224.db2.gz	JHTBJUSVJWSFGY-NBGIEHNGSA-N	0	0	433.523	5.387	50	30		IKEARN
COc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccccc1	ZINC000019879327	556936453	/nfs/dbraw/zinc/93/64/53/556936453.db2.gz	BPHOMYDPLZNYIT-MTDXEUNCSA-N	0	0	449.982	5.079	50	30		IKEARN
COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc1OCc1ccccc1	ZINC000019879485	556936558	/nfs/dbraw/zinc/93/65/58/556936558.db2.gz	YUJRDBAFISFXRY-VUTHCHCSSA-N	0	0	443.591	5.043	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000019898834	556941312	/nfs/dbraw/zinc/94/13/12/556941312.db2.gz	VRAHPYATKVSEBV-JOCHJYFZSA-N	0	0	432.907	5.641	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccccc2)cc1	ZINC000020027281	556967332	/nfs/dbraw/zinc/96/73/32/556967332.db2.gz	AOGQNRPFLLDBII-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000097956238	556977147	/nfs/dbraw/zinc/97/71/47/556977147.db2.gz	AOIJPFSDOOPYTG-QFIPXVFZSA-N	0	0	447.623	6.706	50	30		IKEARN
CCCCCCCc1ccc(/C=C/c2noc(-c3ccc(Br)cc3)n2)cc1	ZINC000097958644	556977962	/nfs/dbraw/zinc/97/79/62/556977962.db2.gz	JWKJQKIKQLWOAG-SFQUDFHCSA-N	0	0	425.370	7.182	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)cc1	ZINC000097961221	556986356	/nfs/dbraw/zinc/98/63/56/556986356.db2.gz	DUORJTVBVQJQNS-SICUDWHYSA-N	0	0	448.691	8.874	50	30	biogenic	IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)cc1	ZINC000097967191	556988663	/nfs/dbraw/zinc/98/86/63/556988663.db2.gz	FNBOUBNCTYESDH-XLNRJJMWSA-N	0	0	443.012	6.971	50	30		IKEARN
CCCCCCCCCCCCNC(=O)[C@@H](CCC(=O)OCc1ccccc1)NC(C)=O	ZINC000097997097	557004143	/nfs/dbraw/zinc/00/41/43/557004143.db2.gz	ZFYRMQFKUCQZMW-XMMPIXPASA-N	0	0	446.632	5.052	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1	ZINC000097995857	557004184	/nfs/dbraw/zinc/00/41/84/557004184.db2.gz	SEMPRYUCDMYPCP-UHFFFAOYSA-N	0	0	430.972	6.899	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(OCC)cc3)C(=O)O2)cc1	ZINC000097997155	557004290	/nfs/dbraw/zinc/00/42/90/557004290.db2.gz	LHYNERIHICUYKK-QLYXXIJNSA-N	0	0	449.591	6.949	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(Cl)c3)C(=O)O2)cc1	ZINC000097997727	557004369	/nfs/dbraw/zinc/00/43/69/557004369.db2.gz	MBXRTUSGIPSVCA-CLCOLTQESA-N	0	0	439.983	7.204	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC(F)F)cc3)sc2C1	ZINC000013959827	557006213	/nfs/dbraw/zinc/00/62/13/557006213.db2.gz	YSDXAPCZFLBDEP-FTXNUJCXSA-N	0	0	430.520	6.024	50	30		IKEARN
Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1	ZINC000020357020	557011144	/nfs/dbraw/zinc/01/11/44/557011144.db2.gz	GVRGFCVKOQVXOF-MHZLTWQESA-N	0	0	441.531	5.515	50	30		IKEARN
CCCCCCCC(=O)c1ccc(CCc2ccc(C(=O)CCCCCCC)cc2)cc1	ZINC000098002690	557012309	/nfs/dbraw/zinc/01/23/09/557012309.db2.gz	DTXAMOUIOZJWPB-UHFFFAOYSA-N	0	0	434.664	8.558	50	30	biogenic	IKEARN
Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C	ZINC000032943106	557017269	/nfs/dbraw/zinc/01/72/69/557017269.db2.gz	AWFGYWKOEHUODR-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(C(C)C)cc1	ZINC000032943360	557018139	/nfs/dbraw/zinc/01/81/39/557018139.db2.gz	QXDRKITTXKBCDJ-UHFFFAOYSA-N	0	0	438.575	6.040	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12	ZINC000032943377	557018557	/nfs/dbraw/zinc/01/85/57/557018557.db2.gz	YYTNLRGJPHXWEF-UHFFFAOYSA-N	0	0	428.511	5.310	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1C	ZINC000032943443	557019363	/nfs/dbraw/zinc/01/93/63/557019363.db2.gz	STYFAQZSPGBMEW-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1C	ZINC000032943447	557019837	/nfs/dbraw/zinc/01/98/37/557019837.db2.gz	XVNPQHSVOSBBHB-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
Cc1nc(COc2cccc(C)c2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000043220789	557023321	/nfs/dbraw/zinc/02/33/21/557023321.db2.gz	BKVCVSUDKCXNAQ-CQSZACIVSA-N	0	0	437.590	5.649	50	30		IKEARN
CCCCCCCC(=O)N(CCCOC)CC(=O)N(Cc1ccco1)Cc1ccccc1	ZINC000098017949	557026430	/nfs/dbraw/zinc/02/64/30/557026430.db2.gz	ANRBPRIGPDQAIF-UHFFFAOYSA-N	0	0	442.600	5.034	50	30		IKEARN
N#Cc1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153768	557028776	/nfs/dbraw/zinc/02/87/76/557028776.db2.gz	RISXOCYLOJXCDY-UHFFFAOYSA-N	0	0	448.400	5.799	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1	ZINC000098021388	557029205	/nfs/dbraw/zinc/02/92/05/557029205.db2.gz	GTDGCKWELWWFHZ-RUZDIDTESA-N	0	0	442.600	6.684	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1	ZINC000098021530	557029471	/nfs/dbraw/zinc/02/94/71/557029471.db2.gz	CNBUYNOJKFWSOL-DEOSSOPVSA-N	0	0	428.573	6.293	50	30		IKEARN
O=C1N[C@@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1	ZINC000017178370	557038103	/nfs/dbraw/zinc/03/81/03/557038103.db2.gz	QXPCMONMGSTKOM-MLQDUXEUSA-N	0	0	439.547	6.182	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4n3C)cc2)cc1	ZINC000098045022	557046159	/nfs/dbraw/zinc/04/61/59/557046159.db2.gz	JUOJPSUBOICTNF-UHFFFAOYSA-N	0	0	439.603	7.396	50	30		IKEARN
CCCCCCCCOc1ccc(-c2ccc(-c3nc(-c4ccc(F)cc4)no3)cc2)cc1	ZINC000098045147	557046174	/nfs/dbraw/zinc/04/61/74/557046174.db2.gz	FMJZRVPHGVUDPX-UHFFFAOYSA-N	0	0	444.550	7.949	50	30		IKEARN
CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1	ZINC000098046261	557046651	/nfs/dbraw/zinc/04/66/51/557046651.db2.gz	KNFWDEOYRQGUQA-JOCHJYFZSA-N	0	0	425.956	6.279	50	30		IKEARN
CCCCCCCCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000098047666	557047037	/nfs/dbraw/zinc/04/70/37/557047037.db2.gz	QGCYQMFFKOLOIW-UHFFFAOYSA-N	0	0	426.564	7.151	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3cccc(SC)c3)cc2-c2ccccc2S1(=O)=O	ZINC000033271928	557050379	/nfs/dbraw/zinc/05/03/79/557050379.db2.gz	XGHMBXXJOHKYSF-UHFFFAOYSA-N	0	0	436.558	5.023	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(N2CCOCC2)cc1	ZINC000048252873	557052190	/nfs/dbraw/zinc/05/21/90/557052190.db2.gz	KQKZCOCKAQRIPF-CSKARUKUSA-N	0	0	438.321	5.442	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1	ZINC000048303614	557058850	/nfs/dbraw/zinc/05/88/50/557058850.db2.gz	VYPGZDFRJSHXOJ-CSKARUKUSA-N	0	0	438.321	5.442	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O	ZINC000033321096	557105771	/nfs/dbraw/zinc/10/57/71/557105771.db2.gz	LLUMZAUJCNOVHZ-NYHFZMIOSA-N	0	0	436.895	5.309	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)c(OC)c1)C2	ZINC000033321134	557106063	/nfs/dbraw/zinc/10/60/63/557106063.db2.gz	QUFAHBDDTDEJPC-FYSMJZIKSA-N	0	0	446.503	5.054	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NC1CCCCC1	ZINC000033324450	557106366	/nfs/dbraw/zinc/10/63/66/557106366.db2.gz	VIRUCVIKWYMCNW-UHFFFAOYSA-N	0	0	442.313	5.892	50	30		IKEARN
C[C@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1	ZINC000033324472	557106450	/nfs/dbraw/zinc/10/64/50/557106450.db2.gz	BFDQSXGTUVUUFP-AWEZNQCLSA-N	0	0	442.313	5.384	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000033324918	557106924	/nfs/dbraw/zinc/10/69/24/557106924.db2.gz	FUGDOBUCZVYHSV-IVZQSRNASA-N	0	0	436.895	5.309	50	30		IKEARN
O=c1oc2ccccc2cc1-c1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1	ZINC000003139520	557115492	/nfs/dbraw/zinc/11/54/92/557115492.db2.gz	NTFYWERIAPEKIT-NDZAJKAJSA-N	0	0	431.491	6.790	50	30		IKEARN
Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc4c(c2)OCO4)CCCC3)cc1C	ZINC000098086344	557121796	/nfs/dbraw/zinc/12/17/96/557121796.db2.gz	RCUVLSYRXVVRLZ-LGJNPRDNSA-N	0	0	432.545	5.975	50	30		IKEARN
O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1	ZINC000033347374	557122971	/nfs/dbraw/zinc/12/29/71/557122971.db2.gz	XQKHDZPJIHPNDM-NLRVBDNBSA-N	0	0	434.516	6.902	50	30		IKEARN
Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O	ZINC000017823489	557124595	/nfs/dbraw/zinc/12/45/95/557124595.db2.gz	BGOWMRGDUSUEFJ-HKOYGPOVSA-N	0	0	442.949	5.080	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1	ZINC000229929154	557126248	/nfs/dbraw/zinc/12/62/48/557126248.db2.gz	KHMPSGMVRIWTHT-NOZRDPDXSA-N	0	0	427.460	5.402	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1	ZINC000033349555	557127741	/nfs/dbraw/zinc/12/77/41/557127741.db2.gz	RZODHAXXAPBNNY-LDADJPATSA-N	0	0	442.949	5.984	50	30		IKEARN
Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)c12	ZINC000023983751	557129589	/nfs/dbraw/zinc/12/95/89/557129589.db2.gz	PITXMMKNYWDFQJ-OAQYLSRUSA-N	0	0	443.551	5.193	50	30		IKEARN
CCCCCCCNC(=O)c1c(F)c(F)c(C(=O)NCCCCCCC)c(F)c1F	ZINC000033354075	557129818	/nfs/dbraw/zinc/12/98/18/557129818.db2.gz	UBCOQPPMRIVFSJ-UHFFFAOYSA-N	0	0	432.502	5.643	50	30		IKEARN
O=C(Oc1cccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)c1)c1ccccc1F	ZINC000000659991	557130221	/nfs/dbraw/zinc/13/02/21/557130221.db2.gz	NXCGOXIBMHWXGN-UHFFFAOYSA-N	0	0	432.447	5.173	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)CCCC2	ZINC000000663922	557131523	/nfs/dbraw/zinc/13/15/23/557131523.db2.gz	NGPAODSZMFLCPQ-UHFFFAOYSA-N	0	0	439.890	5.544	50	30		IKEARN
C=C(C)COc1ccc(/C=C2/N=C(c3cccc(Br)c3)OC2=O)cc1OCC	ZINC000000668377	557131775	/nfs/dbraw/zinc/13/17/75/557131775.db2.gz	HLSWMJHZZOXFEW-VCHYOVAHSA-N	0	0	442.309	5.147	50	30		IKEARN
COc1ccc(Cl)cc1-c1ccc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)o1	ZINC000000677722	557133772	/nfs/dbraw/zinc/13/37/72/557133772.db2.gz	PFPOECUOENVFIS-UHFFFAOYSA-N	0	0	439.862	5.402	50	30		IKEARN
COc1ccc(/N=C/c2ccc(Sc3cccc4ncccc43)c([N+](=O)[O-])c2)c(OC)c1	ZINC000000705074	557139613	/nfs/dbraw/zinc/13/96/13/557139613.db2.gz	OVSQYMFBIHQCPB-CVKSISIWSA-N	0	0	445.500	6.062	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000000711385	557145943	/nfs/dbraw/zinc/14/59/43/557145943.db2.gz	AYHFYRCMZUUNLD-OBDYRVMHSA-N	0	0	433.486	5.544	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c(Br)s3)sc2C1	ZINC000000714834	557148083	/nfs/dbraw/zinc/14/80/83/557148083.db2.gz	QLMADRXMNAORFG-PSDBGZISSA-N	0	0	444.217	6.082	50	30		IKEARN
FC(F)(F)c1cnc(CSc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)c1	ZINC000095742534	557160663	/nfs/dbraw/zinc/16/06/63/557160663.db2.gz	WRFQGMUEMONGPD-UHFFFAOYSA-N	0	0	439.730	7.084	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2	ZINC000217412862	557168872	/nfs/dbraw/zinc/16/88/72/557168872.db2.gz	JAHNEERZSBIKFN-UUOOZVGWSA-N	0	0	433.382	7.879	50	30		IKEARN
C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000000755586	557170009	/nfs/dbraw/zinc/17/00/09/557170009.db2.gz	ASKWCVANZBJACO-UGKGYDQZSA-N	0	0	443.410	6.037	50	30		IKEARN
C=CC[C@@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000000755584	557170022	/nfs/dbraw/zinc/17/00/22/557170022.db2.gz	ASKWCVANZBJACO-KNQAVFIVSA-N	0	0	443.410	6.037	50	30		IKEARN
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2cc(C)ccc2C)cc1	ZINC000024864041	557174870	/nfs/dbraw/zinc/17/48/70/557174870.db2.gz	MQLAEUKIRXKDTM-UHFFFAOYSA-N	0	0	432.593	5.753	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1	ZINC000009329110	557187645	/nfs/dbraw/zinc/18/76/45/557187645.db2.gz	ZAPOLNZUDKAKKH-AWEZNQCLSA-N	0	0	439.566	5.070	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1	ZINC000100856227	557192800	/nfs/dbraw/zinc/19/28/00/557192800.db2.gz	FPAHKPIGHJWKQI-PYCFMQQDSA-N	0	0	440.634	6.654	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1	ZINC000100856724	557192856	/nfs/dbraw/zinc/19/28/56/557192856.db2.gz	OJTZFKCXMUKUKM-XLNRJJMWSA-N	0	0	443.609	6.971	50	30		IKEARN
C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1	ZINC000100874363	557196792	/nfs/dbraw/zinc/19/67/92/557196792.db2.gz	FXVRRDCUKZTIBE-ATJXCDBQSA-N	0	0	429.383	5.690	50	30		IKEARN
CC(C)c1ccccc1-n1c(-c2ccc(Cl)cc2)nn(CN(C)CCC#N)c1=S	ZINC000025157298	557197283	/nfs/dbraw/zinc/19/72/83/557197283.db2.gz	ZJBMDTJOTAMIQY-UHFFFAOYSA-N	0	0	425.989	5.650	50	30		IKEARN
Fc1cccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)c1	ZINC000100915908	557201600	/nfs/dbraw/zinc/20/16/00/557201600.db2.gz	XWPSYXLBXQCZBR-BRPDVVIDSA-N	0	0	429.442	6.638	50	30		IKEARN
CCCCCCCc1ccc(-c2c3c(nc(/C=C/N(C)C)c2C#N)-c2ccccc2C3=O)cc1	ZINC000100916134	557201676	/nfs/dbraw/zinc/20/16/76/557201676.db2.gz	RKKPDGNHCPTFHE-VHEBQXMUSA-N	0	0	449.598	6.877	50	30		IKEARN
COc1cccc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1	ZINC000100922343	557202038	/nfs/dbraw/zinc/20/20/38/557202038.db2.gz	XMJADWCYIUFSKA-BUHFOSPRSA-N	0	0	447.469	6.062	50	30		IKEARN
CCCCCCCCCCOc1ccc(-c2c(=O)n(OCC)c3ccccc3[n+]2[O-])cc1	ZINC000100931110	557202797	/nfs/dbraw/zinc/20/27/97/557202797.db2.gz	LVUXJFGBLKYUHT-UHFFFAOYSA-N	0	0	438.568	5.270	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000792612	557203472	/nfs/dbraw/zinc/20/34/72/557203472.db2.gz	TZQLJEPCNXUWFA-LVXARBLLSA-N	0	0	442.559	5.319	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3ccc(Br)o3)C(=O)N2CC(C)C)cc1	ZINC000096936319	557206584	/nfs/dbraw/zinc/20/65/84/557206584.db2.gz	HNSQPHVTLBICIO-PMDYYOJLSA-N	0	0	435.343	5.311	50	30		IKEARN
CCCCCCCCCCCNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	ZINC000100959261	557207486	/nfs/dbraw/zinc/20/74/86/557207486.db2.gz	MAQLHZHVAMOQLB-UHFFFAOYSA-N	0	0	429.004	6.853	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2nc3ccccc3o2)cc1	ZINC000011614477	557209007	/nfs/dbraw/zinc/20/90/07/557209007.db2.gz	MQZYHEQYODWQPD-ZYQGRCJCSA-N	0	0	439.467	5.950	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@@H]1CC=CCC1	ZINC000169678647	557209861	/nfs/dbraw/zinc/20/98/61/557209861.db2.gz	SBXTZUYFCSRDJV-NFQMXDRXSA-N	0	0	447.623	5.299	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(C(C)C)cc3)C(=O)O2)cc1	ZINC000100994989	557212079	/nfs/dbraw/zinc/21/20/79/557212079.db2.gz	YQCWKEPWROTOBZ-MEFGMAGPSA-N	0	0	447.619	7.674	50	30		IKEARN
COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1	ZINC000025514846	557212795	/nfs/dbraw/zinc/21/27/95/557212795.db2.gz	SOBZMVGVFNGCRI-VUTHCHCSSA-N	0	0	443.591	5.043	50	30		IKEARN
COc1ccccc1/N=C1/c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O	ZINC000101002688	557213302	/nfs/dbraw/zinc/21/33/02/557213302.db2.gz	YLNFZQMYLJAABO-OHYPFYFLSA-N	0	0	439.559	5.075	50	30		IKEARN
CC(C)c1ccc(/C=C/C(=O)c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	ZINC000025558042	557214112	/nfs/dbraw/zinc/21/41/12/557214112.db2.gz	HRXWNCLWJRTBKL-FZSIALSZSA-N	0	0	440.948	6.127	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)SC2=S)cc1	ZINC000015012035	557215075	/nfs/dbraw/zinc/21/50/75/557215075.db2.gz	DOLWQDHBWDPZEW-CIAFOILYSA-N	0	0	432.526	5.228	50	30		IKEARN
Cc1cccc(C(=O)N[C@H](NC(=S)N=C2CCCCCC2)C(Cl)(Cl)Cl)c1	ZINC000025579564	557215958	/nfs/dbraw/zinc/21/59/58/557215958.db2.gz	ZTQKUTFMPHGORH-MRXNPFEDSA-N	0	0	434.820	5.091	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1	ZINC000097464907	557218819	/nfs/dbraw/zinc/21/88/19/557218819.db2.gz	WXWAAZQLYYRCHU-HLTANSAUSA-N	0	0	440.565	5.507	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1	ZINC000008648670	557224632	/nfs/dbraw/zinc/22/46/32/557224632.db2.gz	HXRSOYCNABLYMF-UNZYHPAISA-N	0	0	432.155	6.432	50	30		IKEARN
CN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1	ZINC000025761639	557224872	/nfs/dbraw/zinc/22/48/72/557224872.db2.gz	AXNTZYSTRSDTCJ-QHKWOANTSA-N	0	0	427.158	6.282	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013694	557225018	/nfs/dbraw/zinc/22/50/18/557225018.db2.gz	UOLSNFLKQATORM-XMMPIXPASA-N	0	0	432.539	5.631	50	30		IKEARN
CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1	ZINC000100074173	557227885	/nfs/dbraw/zinc/22/78/85/557227885.db2.gz	GCTCBFOUTJMSHD-MFKUBSTISA-N	0	0	437.517	5.231	50	30		IKEARN
CC(C)(C)c1ccc(NC=CC(=O)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1	ZINC000100074622	557227920	/nfs/dbraw/zinc/22/79/20/557227920.db2.gz	PAYUITOJEPHAFL-FOCLMDBBSA-N	0	0	437.942	7.164	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)S/C1=N/c1ccc(OC)cc1	ZINC000101081407	557230021	/nfs/dbraw/zinc/23/00/21/557230021.db2.gz	GCOMRJCXIGJCTA-HLTANSAUSA-N	0	0	440.565	5.507	50	30		IKEARN
CCCCCCCC(=O)N[C@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl	ZINC000097950717	557230687	/nfs/dbraw/zinc/23/06/87/557230687.db2.gz	PXWLNWWENDKUQZ-MRXNPFEDSA-N	0	0	438.852	5.454	50	30		IKEARN
CCCCCCCCCC(=O)N[C@@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl	ZINC000097950791	557230719	/nfs/dbraw/zinc/23/07/19/557230719.db2.gz	NUENIKSMRXNLSG-OAQYLSRUSA-N	0	0	443.846	7.205	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccc(Cl)cc3)C12	ZINC000097964547	557231029	/nfs/dbraw/zinc/23/10/29/557231029.db2.gz	XWQOACQKCFUJMI-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
CCCCCCCCCCCCOc1ccc(OCCCCCCCCCCC)cc1	ZINC000097976940	557231214	/nfs/dbraw/zinc/23/12/14/557231214.db2.gz	BHWQWWYHQZVKCP-UHFFFAOYSA-N	0	0	432.733	9.896	50	30		IKEARN
CCCCCCCCCCCNc1c(CCCCC)c(C)c(C#N)c2nc3ccccc3n21	ZINC000098050307	557232613	/nfs/dbraw/zinc/23/26/13/557232613.db2.gz	ZEEQWLAUCKRMRY-UHFFFAOYSA-N	0	0	446.683	8.343	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1[C@@H](c1c(F)cccc1Cl)C1C(=O)c3ccccc3C1=N2	ZINC000018090058	557235034	/nfs/dbraw/zinc/23/50/34/557235034.db2.gz	VAYGHDRGUSXLBB-NRFANRHFSA-N	0	0	442.881	5.533	50	30		IKEARN
CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003529	557236577	/nfs/dbraw/zinc/23/65/77/557236577.db2.gz	DBPFAJNWKCOZOA-LJQANCHMSA-N	0	0	447.915	5.107	50	30		IKEARN
CC1(C)CC(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100023890	557237642	/nfs/dbraw/zinc/23/76/42/557237642.db2.gz	TVQRBQCRQCJQFS-LJQANCHMSA-N	0	0	436.470	5.565	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950868	557237993	/nfs/dbraw/zinc/23/79/93/557237993.db2.gz	GMRXDLCFEYFLMK-UHFFFAOYSA-N	0	0	425.456	5.177	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950854	557239067	/nfs/dbraw/zinc/23/90/67/557239067.db2.gz	RPYNPFGZSBVUPW-UHFFFAOYSA-N	0	0	435.520	5.655	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000026458887	557241575	/nfs/dbraw/zinc/24/15/75/557241575.db2.gz	ZVGPQTYFCIDOCY-HSZRJFAPSA-N	0	0	449.478	5.329	50	30		IKEARN
CCN(CC)C(=S)SC/C(=N/N(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000018192320	557247050	/nfs/dbraw/zinc/24/70/50/557247050.db2.gz	OAAMKNVORXRUGC-LCUIJRPUSA-N	0	0	433.646	6.589	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000018195186	557247654	/nfs/dbraw/zinc/24/76/54/557247654.db2.gz	XMGNDLKGRYGTTB-ODCWNRFASA-N	0	0	440.524	5.834	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196299	557247976	/nfs/dbraw/zinc/24/79/76/557247976.db2.gz	ODBVGGMSUOTQOO-XYZCENFISA-N	0	0	432.332	5.442	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Cl)c1Cl	ZINC000018195708	557247998	/nfs/dbraw/zinc/24/79/98/557247998.db2.gz	BTSCACKNJHAWSW-KRWDZBQOSA-N	0	0	426.303	5.037	50	30		IKEARN
Cc1nn(-c2ccc(C)cc2)c2c1[C@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018196672	557248429	/nfs/dbraw/zinc/24/84/29/557248429.db2.gz	LCNYUJAGWVECER-QHCPKHFHSA-N	0	0	431.967	6.343	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2	ZINC000018197157	557248825	/nfs/dbraw/zinc/24/88/25/557248825.db2.gz	IJBQHCMRVOKICQ-SANMLTNESA-N	0	0	427.500	6.061	50	30		IKEARN
CC(C)(C)c1cc([C@@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O	ZINC000018200389	557249031	/nfs/dbraw/zinc/24/90/31/557249031.db2.gz	SSCBFLWVNGUNQZ-SFHVURJKSA-N	0	0	437.584	5.617	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000018197987	557250086	/nfs/dbraw/zinc/25/00/86/557250086.db2.gz	URQJYBWTKMYXPV-OSPHWJPCSA-N	0	0	440.528	5.548	50	30		IKEARN
C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccccc1	ZINC000018250943	557253871	/nfs/dbraw/zinc/25/38/71/557253871.db2.gz	HPFYZQPTDZCVOU-UHFFFAOYSA-N	0	0	436.540	5.791	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1	ZINC000027019107	557254600	/nfs/dbraw/zinc/25/46/00/557254600.db2.gz	PDQSCKRBPKFUEK-LTGZKZEYSA-N	0	0	428.444	5.948	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000101104139	557255604	/nfs/dbraw/zinc/25/56/04/557255604.db2.gz	RTKMTWAHZZSDBE-YDJIHCHBSA-N	0	0	434.289	5.075	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOCCCCCCCC)cc1	ZINC000100283776	557256537	/nfs/dbraw/zinc/25/65/37/557256537.db2.gz	KAKUBYTYCKREAF-UHFFFAOYSA-N	0	0	448.692	7.705	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000100345966	557258011	/nfs/dbraw/zinc/25/80/11/557258011.db2.gz	JUPPCYMDCKUKNV-JOPVOSQUSA-N	0	0	429.447	5.017	50	30		IKEARN
O=c1[nH]c2ccc(/N=C/c3c(OCc4ccccc4Cl)ccc4ccccc43)cc2[nH]1	ZINC000100384201	557259455	/nfs/dbraw/zinc/25/94/55/557259455.db2.gz	GGTYASFKJZIJPA-MZJWZYIUSA-N	0	0	427.891	5.992	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=N)S1	ZINC000101144478	557261948	/nfs/dbraw/zinc/26/19/48/557261948.db2.gz	MUPAGQNIADXBRY-JUIDXRIDSA-N	0	0	447.608	6.074	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl	ZINC000100503038	557262767	/nfs/dbraw/zinc/26/27/67/557262767.db2.gz	ZMPNGLHGFGEGBT-FOKLQQMPSA-N	0	0	428.300	6.929	50	30		IKEARN
C#CCN(Cc1cccnc1)C(=O)Nc1ccc(OC(F)F)c(-c2ccc(OC)cc2)c1	ZINC000072270422	557263221	/nfs/dbraw/zinc/26/32/21/557263221.db2.gz	BCHRXCPBCZCWRK-UHFFFAOYSA-N	0	0	437.446	5.026	50	30		IKEARN
CC(C)/C(Cl)=N\OC(NC(=O)Nc1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000101206259	557263252	/nfs/dbraw/zinc/26/32/52/557263252.db2.gz	HPVCXYRREWTUER-KIBLKLHPSA-N	0	0	440.171	5.507	50	30		IKEARN
O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21	ZINC000027527966	557263451	/nfs/dbraw/zinc/26/34/51/557263451.db2.gz	QNJCHTIBPTZZFL-JLPGSUDCSA-N	0	0	439.898	6.417	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F	ZINC000100557858	557264579	/nfs/dbraw/zinc/26/45/79/557264579.db2.gz	MWMIJAWLJKOUTF-IQGLISFBSA-N	0	0	449.522	5.149	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccccc1	ZINC000100563245	557264789	/nfs/dbraw/zinc/26/47/89/557264789.db2.gz	FNNVCCZQMAKZSJ-JTZITEQJSA-N	0	0	442.518	5.724	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000027547208	557265171	/nfs/dbraw/zinc/26/51/71/557265171.db2.gz	FMXAVHXMSUUXJW-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(N=NCc3ccc(OCC)c(OCC)c3)o2)CC1	ZINC000027562609	557265564	/nfs/dbraw/zinc/26/55/64/557265564.db2.gz	WFNUNUCZAOCTER-WPWMEQJKSA-N	0	0	438.572	6.254	50	30		IKEARN
CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl	ZINC000100611972	557265906	/nfs/dbraw/zinc/26/59/06/557265906.db2.gz	PFQDBCCUCKOIFO-MRXNPFEDSA-N	0	0	438.852	5.454	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl	ZINC000101285123	557267650	/nfs/dbraw/zinc/26/76/50/557267650.db2.gz	JANBXKXHEXURSZ-HSZRJFAPSA-N	0	0	437.971	6.492	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl	ZINC000101285124	557267691	/nfs/dbraw/zinc/26/76/91/557267691.db2.gz	JANBXKXHEXURSZ-QHCPKHFHSA-N	0	0	437.971	6.492	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)Nc1ccccc1C#N	ZINC000011021911	557269171	/nfs/dbraw/zinc/26/91/71/557269171.db2.gz	JPMOLIKQJUFYDQ-ZDUSSCGKSA-N	0	0	432.471	5.456	50	30		IKEARN
CCCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000100701490	557270460	/nfs/dbraw/zinc/27/04/60/557270460.db2.gz	SXWWQCAJLZCQPW-CZIZESTLSA-N	0	0	432.593	5.881	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc2ccccc2c1O	ZINC000100700069	557270533	/nfs/dbraw/zinc/27/05/33/557270533.db2.gz	BKWIMUORHSANHY-UHFFFAOYSA-N	0	0	439.684	8.537	50	30		IKEARN
CCOc1ccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000100717219	557271155	/nfs/dbraw/zinc/27/11/55/557271155.db2.gz	IXJOWDDYUDDZQR-SIHNDCSESA-N	0	0	445.544	5.250	50	30		IKEARN
Cc1ccccc1CSc1nnc(NC(=O)c2sc3cc(F)ccc3c2Cl)s1	ZINC000027750314	557273129	/nfs/dbraw/zinc/27/31/29/557273129.db2.gz	FNFWLXVAHQQESR-UHFFFAOYSA-N	0	0	449.985	6.782	50	30		IKEARN
CCCCCCCCCCCCCCN1C(=N)N(S(=O)(=O)c2ccc(C)cc2)CC1=O	ZINC000100743691	557274324	/nfs/dbraw/zinc/27/43/24/557274324.db2.gz	SQYGHYYIRCDVCP-UHFFFAOYSA-N	0	0	449.661	5.464	50	30		IKEARN
CC1(C)[C@H]2CC[C@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2	ZINC000008431763	557275791	/nfs/dbraw/zinc/27/57/91/557275791.db2.gz	OSOWLGLZNFHGQW-CKLBMXLLSA-N	0	0	432.387	5.211	50	30		IKEARN
CCCCCCCCCCCCCCCc1cc(=O)n(-c2cccc([N+](=O)[O-])c2)n1C	ZINC000100815700	557276602	/nfs/dbraw/zinc/27/66/02/557276602.db2.gz	SOLBBIIGNGDIEL-UHFFFAOYSA-N	0	0	429.605	6.718	50	30		IKEARN
Cc1ccc(Cl)cc1N=C1C=C(NS(=O)(=O)c2cccs2)c2ccccc2C1=O	ZINC000100822326	557276995	/nfs/dbraw/zinc/27/69/95/557276995.db2.gz	BGOWMRGDUSUEFJ-MOHJPFBDSA-N	0	0	442.949	5.080	50	30		IKEARN
Cc1cc(C)c(N=C2C=C(NS(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1	ZINC000100822303	557277008	/nfs/dbraw/zinc/27/70/08/557277008.db2.gz	XEGZIPBMXLGSNW-PLRJNAJWSA-N	0	0	436.558	5.044	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(Cl)nc1	ZINC000100857605	557277511	/nfs/dbraw/zinc/27/75/11/557277511.db2.gz	YNSPXKZBIVDTNI-UHFFFAOYSA-N	0	0	431.086	6.837	50	30		IKEARN
CCCCCCCCCCCCN1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S	ZINC000100871959	557277726	/nfs/dbraw/zinc/27/77/26/557277726.db2.gz	BFDPYDCFLVDGIG-NKFKGCMQSA-N	0	0	443.678	7.128	50	30		IKEARN
CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000100959287	557280062	/nfs/dbraw/zinc/28/00/62/557280062.db2.gz	FJNMRFSIFOTQDI-SIHNDCSESA-N	0	0	443.528	5.054	50	30		IKEARN
COc1ccc(C2CC(=O)C(=CNc3[nH]nc(C)c3-c3ccc(Cl)cc3)C(=O)C2)cc1	ZINC000101020638	557281414	/nfs/dbraw/zinc/28/14/14/557281414.db2.gz	HZMQEXCEKITZED-UHFFFAOYSA-N	0	0	435.911	5.059	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2cs/c(=N/N=C/c3ccccc3Cl)n2-c2ccccc2)cc1	ZINC000101392706	557283188	/nfs/dbraw/zinc/28/31/88/557283188.db2.gz	JLMUVDLPQNSKCY-ZUOQFLAMSA-N	0	0	434.908	5.702	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(-c3cccc(C(=O)OC)c3)o2)S/C1=N/c1ccccc1	ZINC000101391131	557283212	/nfs/dbraw/zinc/28/32/12/557283212.db2.gz	QWXOSSDPZIQZOJ-KWZOLKRCSA-N	0	0	432.501	5.357	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2Br)cc1	ZINC000101439331	557285416	/nfs/dbraw/zinc/28/54/16/557285416.db2.gz	CMXLQZVYZIWOSG-HYARGMPZSA-N	0	0	429.339	5.309	50	30		IKEARN
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)S/C1=N/c1ccccc1	ZINC000101506592	557290164	/nfs/dbraw/zinc/29/01/64/557290164.db2.gz	DVEURUIBUFCIJC-GOESLVMASA-N	0	0	425.513	5.371	50	30		IKEARN
C=CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)c1nc(-c2ccccc2)cs1	ZINC000014055186	557292284	/nfs/dbraw/zinc/29/22/84/557292284.db2.gz	XSKLPHGWIIFICY-UHFFFAOYSA-N	0	0	444.560	5.387	50	30		IKEARN
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#N)c3)c12	ZINC000014066447	557293218	/nfs/dbraw/zinc/29/32/18/557293218.db2.gz	JKOJCNZNYVYKHS-UHFFFAOYSA-N	0	0	429.483	5.520	50	30		IKEARN
CC1(C)OC(c2ccccc2)=C/C(=C/C=N/c2ccc(Cl)cc2C(=O)c2ccccc2)O1	ZINC000100098944	557293829	/nfs/dbraw/zinc/29/38/29/557293829.db2.gz	LRYWPGGNVAJLHF-BUANEPLZSA-N	0	0	443.930	6.981	50	30		IKEARN
CCOc1cc2c(cc1/C=C1/S/C(=N/c3ccccc3)N(Cc3ccco3)C1=O)OCO2	ZINC000101639758	557294473	/nfs/dbraw/zinc/29/44/73/557294473.db2.gz	ROUYAPDUUUROKS-HPVIMXLTSA-N	0	0	448.500	5.211	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N/c1ccccc1	ZINC000101635858	557294588	/nfs/dbraw/zinc/29/45/88/557294588.db2.gz	BRYNBLNOQPNQEA-SGXAETBLSA-N	0	0	436.508	5.726	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H](C)c2cccc3ccccc32)nnc1C1CCCCC1	ZINC000014069092	557297271	/nfs/dbraw/zinc/29/72/71/557297271.db2.gz	RPGIOVUKWCYEEQ-SFHVURJKSA-N	0	0	434.609	5.635	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@H]2c1ccco1	ZINC000102001091	557298021	/nfs/dbraw/zinc/29/80/21/557298021.db2.gz	PKBRESAPLDCYQM-LOSJGSFVSA-N	0	0	440.499	5.765	50	30		IKEARN
CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@H]1CC(=O)Nc1ccc(C)cc1	ZINC000102078990	557298551	/nfs/dbraw/zinc/29/85/51/557298551.db2.gz	AYVPSHFJZDNOFB-XMMPIXPASA-N	0	0	449.595	5.818	50	30		IKEARN
COc1cc(C(=O)Oc2ccccc2C#N)cc(Br)c1OCc1ccccc1	ZINC000014129245	557308687	/nfs/dbraw/zinc/30/86/87/557308687.db2.gz	ZWNKKVHMQXOYLU-UHFFFAOYSA-N	0	0	438.277	5.128	50	30		IKEARN
O=C(Nc1ccccc1Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000102057036	557312105	/nfs/dbraw/zinc/31/21/05/557312105.db2.gz	MICZWXFZPABAQO-UHFFFAOYSA-N	0	0	435.620	5.177	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)CCC3	ZINC000002910919	557312197	/nfs/dbraw/zinc/31/21/97/557312197.db2.gz	JABQEGXCWMLUIC-UHFFFAOYSA-N	0	0	433.396	5.188	50	30		IKEARN
C=CCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC	ZINC000002838275	557312503	/nfs/dbraw/zinc/31/25/03/557312503.db2.gz	KCEDJYXLUYSYDD-UHFFFAOYSA-N	0	0	443.712	5.439	50	30		IKEARN
C=CCn1c(SCc2ccccc2Br)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000002836340	557313058	/nfs/dbraw/zinc/31/30/58/557313058.db2.gz	UUJOTYKWNGAXFM-UHFFFAOYSA-N	0	0	431.315	5.094	50	30		IKEARN
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccccc3Cl)c2c1=O	ZINC000002889179	557313479	/nfs/dbraw/zinc/31/34/79/557313479.db2.gz	HJIKWMHYPMYNGM-UHFFFAOYSA-N	0	0	446.022	6.022	50	30		IKEARN
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	ZINC000014183617	557314216	/nfs/dbraw/zinc/31/42/16/557314216.db2.gz	AEGNEWZDVWDISL-AWEZNQCLSA-N	0	0	438.578	5.366	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2	ZINC000002874276	557314415	/nfs/dbraw/zinc/31/44/15/557314415.db2.gz	KISTUDHVAUUGKV-OAQYLSRUSA-N	0	0	448.935	6.233	50	30		IKEARN
COc1cc(/C=N/c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000103752169	557318226	/nfs/dbraw/zinc/31/82/26/557318226.db2.gz	BGZCUHUTJGQSQM-WSDLNYQXSA-N	0	0	427.800	5.708	50	30		IKEARN
COc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943218	557318910	/nfs/dbraw/zinc/31/89/10/557318910.db2.gz	WZFZZRJARPKBBR-UHFFFAOYSA-N	0	0	444.510	5.065	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1	ZINC000102401973	557320910	/nfs/dbraw/zinc/32/09/10/557320910.db2.gz	KSLNEJOAAJBDPU-ULWNEYHBSA-N	0	0	425.528	5.474	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102401902	557321108	/nfs/dbraw/zinc/32/11/08/557321108.db2.gz	MXMUOWKXALQQEG-JBCNATCCSA-N	0	0	432.545	5.510	50	30		IKEARN
CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)OCC)c1=N	ZINC000102465847	557323557	/nfs/dbraw/zinc/32/35/57/557323557.db2.gz	JHFUICPMGVSGIF-UHFFFAOYSA-N	0	0	443.676	6.967	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000102488872	557331938	/nfs/dbraw/zinc/33/19/38/557331938.db2.gz	LKMVSRQHPNWMJA-OBVHCKHUSA-N	0	0	444.512	5.441	50	30		IKEARN
CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@@H](c2ccccc2)CC1=O	ZINC000100138549	557332847	/nfs/dbraw/zinc/33/28/47/557332847.db2.gz	WIHOITWLAPDKRG-JOCHJYFZSA-N	0	0	442.603	6.077	50	30		IKEARN
CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)CCCC1=O	ZINC000100139562	557333326	/nfs/dbraw/zinc/33/33/26/557333326.db2.gz	KDZWEMBFYGJDBW-UHFFFAOYSA-N	0	0	436.474	5.273	50	30		IKEARN
CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccccc32)C[C@H](c2ccccc2)CC1=O	ZINC000100139599	557333368	/nfs/dbraw/zinc/33/33/68/557333368.db2.gz	JXMYHPMGFACJMR-NRFANRHFSA-N	0	0	428.576	5.769	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000100145067	557334543	/nfs/dbraw/zinc/33/45/43/557334543.db2.gz	WUAROROZZYANGT-RLMNYEENSA-N	0	0	429.903	5.831	50	30		IKEARN
CCOc1ccc(CC(=O)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1OCC	ZINC000100147583	557335138	/nfs/dbraw/zinc/33/51/38/557335138.db2.gz	QMBPVCIELMAIIZ-UHFFFAOYSA-N	0	0	435.564	5.029	50	30		IKEARN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2ccccc2C#N)cc1	ZINC000014360758	557335631	/nfs/dbraw/zinc/33/56/31/557335631.db2.gz	AGUMOCRCRHFJFB-UHFFFAOYSA-N	0	0	428.517	5.027	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000102501023	557338247	/nfs/dbraw/zinc/33/82/47/557338247.db2.gz	VEXIJUURWJQFRF-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
CC(C)(C)c1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)n(-c2ccc(C#N)cc2)n1	ZINC000023330195	557340562	/nfs/dbraw/zinc/34/05/62/557340562.db2.gz	ZYWDROTZSXDWDA-UHFFFAOYSA-N	0	0	430.552	5.356	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4cccs4)C(=O)O3)cc2)cc1	ZINC000100166163	557340594	/nfs/dbraw/zinc/34/05/94/557340594.db2.gz	HTZZAPCWHPWGND-QOMWVZHYSA-N	0	0	443.612	7.663	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000102536701	557345646	/nfs/dbraw/zinc/34/56/46/557345646.db2.gz	MZSMBVNVHXRFAN-XZIUATRESA-N	0	0	439.939	5.064	50	30		IKEARN
CCCCCCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000100171816	557347126	/nfs/dbraw/zinc/34/71/26/557347126.db2.gz	IUGPJQFYFLHJNY-VKAVYKQESA-N	0	0	438.519	5.785	50	30		IKEARN
COc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100179990	557348310	/nfs/dbraw/zinc/34/83/10/557348310.db2.gz	RSAOEYAJYLAAKS-ZVHZXABRSA-N	0	0	431.473	5.850	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000102542079	557348424	/nfs/dbraw/zinc/34/84/24/557348424.db2.gz	PSLUQRXRSBXHTG-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(CC)cc2)cc1	ZINC000023435569	557354243	/nfs/dbraw/zinc/35/42/43/557354243.db2.gz	FPXJRZLSRXGBID-UHFFFAOYSA-N	0	0	443.547	5.093	50	30		IKEARN
C=CCN(CC=C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc(Cl)cc2)cc1	ZINC000023438077	557354665	/nfs/dbraw/zinc/35/46/65/557354665.db2.gz	MSXLRPOXFSCDNN-UHFFFAOYSA-N	0	0	449.938	5.184	50	30		IKEARN
O=C(NCCF)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000023433427	557355944	/nfs/dbraw/zinc/35/59/44/557355944.db2.gz	ZXOHFWAEULEKNJ-UHFFFAOYSA-N	0	0	445.338	5.276	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](CC#N)N(C(=O)c1sc3cc(F)ccc3c1Cl)CC2	ZINC000023450807	557356877	/nfs/dbraw/zinc/35/68/77/557356877.db2.gz	IZCHXABDGJZTPY-INIZCTEOSA-N	0	0	444.915	5.364	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000102595109	557357241	/nfs/dbraw/zinc/35/72/41/557357241.db2.gz	RWRNKYRPZNKWEG-VZGYBGPVSA-N	0	0	425.484	5.268	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000102601961	557357773	/nfs/dbraw/zinc/35/77/73/557357773.db2.gz	YDXOPOBKOOSCBJ-MOBKVPTQSA-N	0	0	432.907	5.032	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000102601957	557357776	/nfs/dbraw/zinc/35/77/76/557357776.db2.gz	YDXOPOBKOOSCBJ-HOGKFDNTSA-N	0	0	432.907	5.032	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102601609	557357804	/nfs/dbraw/zinc/35/78/04/557357804.db2.gz	PGFHTKZSXLUQRR-AYWGPLOBSA-N	0	0	431.919	5.313	50	30		IKEARN
CCCCCCCNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc21	ZINC000102560359	557358909	/nfs/dbraw/zinc/35/89/09/557358909.db2.gz	PHLZTCZCSPTVNT-SANMLTNESA-N	0	0	431.580	5.498	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000102624464	557360053	/nfs/dbraw/zinc/36/00/53/557360053.db2.gz	BYABYNRGWUNXIM-MOBKVPTQSA-N	0	0	431.875	5.169	50	30		IKEARN
COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4ccc(C#N)cc4)cc3)n2)c1	ZINC000023460686	557360615	/nfs/dbraw/zinc/36/06/15/557360615.db2.gz	JKDPMDLCKJZGMV-UHFFFAOYSA-N	0	0	435.483	5.557	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1ccccc1	ZINC000023457209	557362995	/nfs/dbraw/zinc/36/29/95/557362995.db2.gz	OEXSCLCFWBDPLB-UHFFFAOYSA-N	0	0	427.529	5.425	50	30		IKEARN
CCCCCCCCNC=C1C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1	ZINC000102642287	557363391	/nfs/dbraw/zinc/36/33/91/557363391.db2.gz	SXWWQCAJLZCQPW-ZZEZOPTASA-N	0	0	432.593	5.881	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102709957	557367577	/nfs/dbraw/zinc/36/75/77/557367577.db2.gz	CIASECJJAFKZNO-JBCNATCCSA-N	0	0	436.895	5.386	50	30		IKEARN
C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1	ZINC000102681580	557368544	/nfs/dbraw/zinc/36/85/44/557368544.db2.gz	SDKUGTDDYYBFSW-AHWVRZQESA-N	0	0	446.934	6.156	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000102720582	557368825	/nfs/dbraw/zinc/36/88/25/557368825.db2.gz	CZGHKPKGYRKNFM-MOBKVPTQSA-N	0	0	440.524	5.485	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1	ZINC000102721271	557368896	/nfs/dbraw/zinc/36/88/96/557368896.db2.gz	DRSYIQCDSLXEDX-JBCNATCCSA-N	0	0	444.512	5.386	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000102728708	557370575	/nfs/dbraw/zinc/37/05/75/557370575.db2.gz	YQYVRQNEOWQWCO-ZHHPLPSFSA-N	0	0	442.471	5.479	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102732777	557372140	/nfs/dbraw/zinc/37/21/40/557372140.db2.gz	COKJKTOCEYAQRT-ZHHPLPSFSA-N	0	0	446.503	5.131	50	30		IKEARN
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@H]2c2cccc(Cl)c2)sc1C	ZINC000102799347	557389361	/nfs/dbraw/zinc/38/93/61/557389361.db2.gz	OGZVJXQLZSJEIL-SELCWUDQSA-N	0	0	442.899	5.179	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000102874858	557396457	/nfs/dbraw/zinc/39/64/57/557396457.db2.gz	RWZHOZJUQOQWQP-YDJIHCHBSA-N	0	0	439.298	5.010	50	30		IKEARN
COC(=O)c1ccccc1CSc1nsc(C=CNc2ccc(Cl)cc2)c1C#N	ZINC000100277824	557396718	/nfs/dbraw/zinc/39/67/18/557396718.db2.gz	YSOVOWPNXDXPKE-ZHACJKMWSA-N	0	0	441.965	5.830	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1OC	ZINC000100290566	557398341	/nfs/dbraw/zinc/39/83/41/557398341.db2.gz	AZMIHVADQVAYIW-IZHYLOQSSA-N	0	0	431.517	5.489	50	30		IKEARN
COc1cccc(-c2onc3ccc(C(=O)C=CNc4cc(OC)cc(OC)c4)cc32)c1	ZINC000100368708	557400887	/nfs/dbraw/zinc/40/08/87/557400887.db2.gz	WTMKUWNWHRAHJS-MDZDMXLPSA-N	0	0	430.460	5.329	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102860765	557401489	/nfs/dbraw/zinc/40/14/89/557401489.db2.gz	AMFJTEDWTWCDRX-YDJIHCHBSA-N	0	0	446.553	5.601	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102860768	557401614	/nfs/dbraw/zinc/40/16/14/557401614.db2.gz	AMFJTEDWTWCDRX-NHFXJNLRSA-N	0	0	446.553	5.601	50	30		IKEARN
N#Cc1c(C=CNc2ccccc2)snc1Sc1ncc(C(F)(F)F)cc1Cl	ZINC000100408578	557401775	/nfs/dbraw/zinc/40/17/75/557401775.db2.gz	WLACFGSAVVFSGN-VOTSOKGWSA-N	0	0	438.887	6.316	50	30		IKEARN
FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2ccc(Cl)cc2)c1	ZINC000100408130	557401888	/nfs/dbraw/zinc/40/18/88/557401888.db2.gz	CUBMUTBLSJLTFF-BRPDVVIDSA-N	0	0	445.897	7.152	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1C1CCCCC1	ZINC000100393350	557401903	/nfs/dbraw/zinc/40/19/03/557401903.db2.gz	WHAQREIOMFWERS-ORVWWNJKSA-N	0	0	431.388	6.930	50	30		IKEARN
O=C(C=CNc1ccc(C(F)(F)F)cc1)c1ccc(OCc2c(F)cccc2Cl)cc1	ZINC000100418347	557402110	/nfs/dbraw/zinc/40/21/10/557402110.db2.gz	RHNBOPXMKPWIMT-OUKQBFOZSA-N	0	0	449.831	6.885	50	30		IKEARN
O=C(C=CNc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000100401629	557402152	/nfs/dbraw/zinc/40/21/52/557402152.db2.gz	UDFZBKMPPRVBTD-VAWYXSNFSA-N	0	0	432.734	7.034	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C)cc2)sc1C	ZINC000102864502	557404013	/nfs/dbraw/zinc/40/40/13/557404013.db2.gz	CTHXWBFZDBUQQK-LFVOPCPISA-N	0	0	438.936	5.348	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	ZINC000102882303	557408354	/nfs/dbraw/zinc/40/83/54/557408354.db2.gz	RNPXVCHPKMMSBO-IVZQSRNASA-N	0	0	427.887	6.469	50	30		IKEARN
O=S(=O)(/N=C(\N=C(/Oc1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	ZINC000100488368	557409933	/nfs/dbraw/zinc/40/99/33/557409933.db2.gz	KSAJPVALNWFCIF-VMLCCZMXSA-N	0	0	440.524	5.348	50	30		IKEARN
CCCCCCCCCCOc1ccc(-c2ccc(CCCCCCC)cn2)cc1F	ZINC000100497645	557410512	/nfs/dbraw/zinc/41/05/12/557410512.db2.gz	VEZLMTOIDRDCMB-UHFFFAOYSA-N	0	0	427.648	8.920	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1C(=O)/C=C\c1ccc(NC(=O)c2ccc(C)cc2)cc1	ZINC000033587351	557414468	/nfs/dbraw/zinc/41/44/68/557414468.db2.gz	GCFVKOAPCXXDLM-GHXNOFRVSA-N	0	0	440.326	6.459	50	30		IKEARN
CCCCCCCCC(=O)N1CCN(c2nc(-c3cccc(F)c3)nc(C)c2C)CC1	ZINC000102996130	557414748	/nfs/dbraw/zinc/41/47/48/557414748.db2.gz	KHMSLKQUJHSQLG-UHFFFAOYSA-N	0	0	426.580	5.299	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1	ZINC000102996721	557415080	/nfs/dbraw/zinc/41/50/80/557415080.db2.gz	GOUUSDDDVPVJFL-QHCPKHFHSA-N	0	0	443.588	5.299	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc(-c2csc(Nc3cccc(OC)c3)n2)c1	ZINC000102996822	557415120	/nfs/dbraw/zinc/41/51/20/557415120.db2.gz	HLCAYNLNSSNUSH-UHFFFAOYSA-N	0	0	437.609	7.251	50	30		IKEARN
CCCCCCCCCCCC(=O)N[C@H](C)C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000102999933	557415123	/nfs/dbraw/zinc/41/51/23/557415123.db2.gz	AVZXDVYUGXMUGP-GOSISDBHSA-N	0	0	430.618	5.569	50	30		IKEARN
CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@@H]1CCCO1)C(C)C	ZINC000102997388	557415128	/nfs/dbraw/zinc/41/51/28/557415128.db2.gz	SMRNLDHDKFCNBM-QHCPKHFHSA-N	0	0	434.621	5.165	50	30		IKEARN
CCCCCCCCCC(=O)NCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C	ZINC000102998293	557415146	/nfs/dbraw/zinc/41/51/46/557415146.db2.gz	NVXLWIXMNKCFSE-UHFFFAOYSA-N	0	0	440.632	5.674	50	30		IKEARN
CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccc(Cl)cc2)CC1	ZINC000102992334	557415666	/nfs/dbraw/zinc/41/56/66/557415666.db2.gz	DTLGKSNFUUUAQX-UHFFFAOYSA-N	0	0	443.035	5.347	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@H](C)CC	ZINC000102991038	557415711	/nfs/dbraw/zinc/41/57/11/557415711.db2.gz	DILPGWNXQGHZIB-HSZRJFAPSA-N	0	0	440.628	5.839	50	30		IKEARN
CCCCCCCC(=O)N1CCCN(c2nc(C)nc(CC)c2Cc2ccccc2)CC1	ZINC000102992200	557415743	/nfs/dbraw/zinc/41/57/43/557415743.db2.gz	DSOAEGFXJHEDBD-UHFFFAOYSA-N	0	0	436.644	5.337	50	30		IKEARN
CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC	ZINC000102992748	557415756	/nfs/dbraw/zinc/41/57/56/557415756.db2.gz	VMKWGLNLSUTWAM-JXFKEZNVSA-N	0	0	446.617	5.044	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H](C)CC	ZINC000102992752	557415758	/nfs/dbraw/zinc/41/57/58/557415758.db2.gz	VMKWGLNLSUTWAM-OXJNMPFZSA-N	0	0	446.617	5.044	50	30		IKEARN
COc1cccc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC	ZINC000103018635	557416398	/nfs/dbraw/zinc/41/63/98/557416398.db2.gz	TWUOKPVJUXEASD-CIAFOILYSA-N	0	0	436.847	5.193	50	30		IKEARN
COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)c1	ZINC000033628991	557425596	/nfs/dbraw/zinc/42/55/96/557425596.db2.gz	XVPZVSNYEKASNZ-CPNJWEJPSA-N	0	0	445.471	5.286	50	30		IKEARN
O=C1c2ccccc2C(NS(=O)(=O)c2ccc3ccccc3c2)=CC1=Nc1ccccc1	ZINC000103321453	557433869	/nfs/dbraw/zinc/43/38/69/557433869.db2.gz	CTANWUOLWWTIQN-COOPMVRXSA-N	0	0	438.508	5.210	50	30		IKEARN
Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1	ZINC000103746830	557441216	/nfs/dbraw/zinc/44/12/16/557441216.db2.gz	KNMWUNAGRZAPMY-ROMGYVFFSA-N	0	0	447.581	5.662	50	30		IKEARN
C/N=C1/S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C	ZINC000103781976	557441801	/nfs/dbraw/zinc/44/18/01/557441801.db2.gz	NOGLDMOKBGVJSZ-LJCITQSSSA-N	0	0	425.312	5.243	50	30		IKEARN
CCCCCCCCCCCCCCCCCC/N=C(\C)c1ccc2ccccc2c1O	ZINC000103946147	557442817	/nfs/dbraw/zinc/44/28/17/557442817.db2.gz	INGLVGYOCHRDMO-GKPLWNPISA-N	0	0	437.712	9.616	50	30		IKEARN
CCOc1ccc(N=C(C)c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]c2-c2ccccc2)cc1	ZINC000104095070	557450111	/nfs/dbraw/zinc/45/01/11/557450111.db2.gz	YXIBRHRUBIHCHQ-YZSQISJMSA-N	0	0	442.475	5.693	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000104155758	557451288	/nfs/dbraw/zinc/45/12/88/557451288.db2.gz	JZRVPEZFYKMXSK-HOYKHHGWSA-N	0	0	437.926	6.876	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000104224666	557453476	/nfs/dbraw/zinc/45/34/76/557453476.db2.gz	LTLUXBLODOXHJH-HOGKFDNTSA-N	0	0	446.934	5.659	50	30		IKEARN
CCCCc1ccc(NC2=CC(=NS(=O)(=O)c3ccccc3)c3ccccc3C2=O)cc1	ZINC000100822128	557455370	/nfs/dbraw/zinc/45/53/70/557455370.db2.gz	JKFBAZQYICBKLL-COOPMVRXSA-N	0	0	444.556	5.400	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2	ZINC000105023115	557473068	/nfs/dbraw/zinc/47/30/68/557473068.db2.gz	CUBSDPUTKIWKAF-DFHRPNOPSA-N	0	0	440.587	5.212	50	30		IKEARN
CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccc(OC)cc1	ZINC000105976613	557512513	/nfs/dbraw/zinc/51/25/13/557512513.db2.gz	PWIIMESHJDHVBA-LMDBJESCSA-N	0	0	447.354	5.090	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003167756	557531721	/nfs/dbraw/zinc/53/17/21/557531721.db2.gz	VVDFNFCKGVKPNN-WSDLNYQXSA-N	0	0	425.784	5.126	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2cccc(Cl)c2)c1	ZINC000044858674	557537666	/nfs/dbraw/zinc/53/76/66/557537666.db2.gz	GYQYCXPGEUMNCU-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)cc1	ZINC000044858878	557537929	/nfs/dbraw/zinc/53/79/29/557537929.db2.gz	SBCWZBATADVKQB-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@H]2c2ccccc2)C1	ZINC000044858820	557537957	/nfs/dbraw/zinc/53/79/57/557537957.db2.gz	PBBYXVNTLFBFJX-QFIPXVFZSA-N	0	0	446.938	5.447	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CC(C)(C)CC(=O)C1[C@@H]2c1ccccc1	ZINC000044858893	557538001	/nfs/dbraw/zinc/53/80/01/557538001.db2.gz	IYEXEVVZDYNOHH-QHCPKHFHSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)cc1C	ZINC000044858937	557538016	/nfs/dbraw/zinc/53/80/16/557538016.db2.gz	AZLORJPHXQEAOE-HSZRJFAPSA-N	0	0	446.938	5.428	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2cccc(Cl)c2)C1	ZINC000044858725	557538040	/nfs/dbraw/zinc/53/80/40/557538040.db2.gz	MKCBYXVUQQJDHM-QFIPXVFZSA-N	0	0	446.938	5.447	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccc(Cl)cc2)C1	ZINC000044859236	557538501	/nfs/dbraw/zinc/53/85/01/557538501.db2.gz	OOEODYTVDKWZEP-JOCHJYFZSA-N	0	0	446.938	5.447	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)cc1C	ZINC000044859306	557538507	/nfs/dbraw/zinc/53/85/07/557538507.db2.gz	PKLYIZKICICVOF-QHCPKHFHSA-N	0	0	446.938	5.428	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2C)cc1C	ZINC000044859303	557538569	/nfs/dbraw/zinc/53/85/69/557538569.db2.gz	IQQYHGCCJXZQCS-DEOSSOPVSA-N	0	0	426.520	5.083	50	30		IKEARN
CC[C@@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1	ZINC000045940430	557548873	/nfs/dbraw/zinc/54/88/73/557548873.db2.gz	ABKPMXPREWLUPG-MRXNPFEDSA-N	0	0	438.934	5.595	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(C(F)(F)F)cc2)NCc2ccncc2)cc1C	ZINC000045940485	557549030	/nfs/dbraw/zinc/54/90/30/557549030.db2.gz	ZOTAEQYSQQHWNV-UHFFFAOYSA-N	0	0	426.442	5.115	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccccc2OCC)cc1	ZINC000045940603	557549041	/nfs/dbraw/zinc/54/90/41/557549041.db2.gz	LGRVEVKXHCXLRQ-UHFFFAOYSA-N	0	0	446.551	5.057	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@](C)(CC)OC3	ZINC000002996558	557663122	/nfs/dbraw/zinc/66/31/22/557663122.db2.gz	ANTFPOHXGSGTQX-QHCPKHFHSA-N	0	0	426.607	5.665	50	30		IKEARN
C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000002983960	557687118	/nfs/dbraw/zinc/68/71/18/557687118.db2.gz	LXSMQPFOPBZPRT-LJQANCHMSA-N	0	0	436.621	5.966	50	30		IKEARN
CN(C)c1ccc2c(c1)S/C(=C\C1=CC(=C3C(=O)c4ccccc4C3=O)CCC1)N2C	ZINC000685944227	557839107	/nfs/dbraw/zinc/83/91/07/557839107.db2.gz	DXHVINZQNLGCDG-UCQKPKSFSA-N	0	0	428.557	5.622	50	30		IKEARN
CSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Br)cc2)c1C#N	ZINC000000874820	557847999	/nfs/dbraw/zinc/84/79/99/557847999.db2.gz	HUXJCJGYPXSVPW-UHFFFAOYSA-N	0	0	438.350	5.665	50	30		IKEARN
CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O	ZINC000003874199	557852580	/nfs/dbraw/zinc/85/25/80/557852580.db2.gz	DKHGMERMDICWDU-GHDNBGIDSA-N	0	0	444.659	8.918	50	30	aggregator,biogenic,investigational	IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000004082884	560193348	/nfs/dbraw/zinc/19/33/48/560193348.db2.gz	FVWJYYTZTCVBKE-MEBXIWODSA-N	0	0	442.728	6.997	50	30	biogenic,in-vitro	IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000000702609	562918981	/nfs/dbraw/zinc/91/89/81/562918981.db2.gz	MVCVIBZAIIIDLV-FQEVSTJZSA-N	0	0	433.533	5.061	50	30		IKEARN
CCN(CC)C(=O)CSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000001026809	562920040	/nfs/dbraw/zinc/92/00/40/562920040.db2.gz	VMADYBYSWYURDQ-UHFFFAOYSA-N	0	0	431.561	5.256	50	30		IKEARN
N#Cc1c(NC(=O)Cn2c(=O)oc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1	ZINC000001071667	562920287	/nfs/dbraw/zinc/92/02/87/562920287.db2.gz	RWKGLAAFPMCMRK-UHFFFAOYSA-N	0	0	435.439	5.032	50	30	aggregator	IKEARN
COc1ccc(-c2c(C#N)c(SCc3c(C)noc3C)nc3c2C(=O)CC(C)(C)C3)cc1	ZINC000001100401	562920516	/nfs/dbraw/zinc/92/05/16/562920516.db2.gz	LLHHUUGBNBINEI-UHFFFAOYSA-N	0	0	447.560	5.681	50	30		IKEARN
C#CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(C)cc1	ZINC000001392069	562921657	/nfs/dbraw/zinc/92/16/57/562921657.db2.gz	GQOMALJFAKJXAC-UHFFFAOYSA-N	0	0	426.541	5.133	50	30	aggregator	IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2	ZINC000002113704	562925906	/nfs/dbraw/zinc/92/59/06/562925906.db2.gz	URRABKAIJCGFKU-QHCPKHFHSA-N	0	0	448.548	5.050	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@](C)(CC)OC3	ZINC000002208308	562926320	/nfs/dbraw/zinc/92/63/20/562926320.db2.gz	FAJNVYNERQZVOQ-QHCPKHFHSA-N	0	0	426.607	5.416	50	30		IKEARN
Cc1ccc(OCc2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)cc1	ZINC000002350751	562927089	/nfs/dbraw/zinc/92/70/89/562927089.db2.gz	FOOCXBBDHXDBNZ-UHFFFAOYSA-N	0	0	426.545	5.627	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1	ZINC000002419734	562927532	/nfs/dbraw/zinc/92/75/32/562927532.db2.gz	RZQXXXPUPIMROL-UHFFFAOYSA-N	0	0	433.899	5.144	50	30		IKEARN
C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c[nH]c2c1cccc2CC	ZINC000003381882	562935149	/nfs/dbraw/zinc/93/51/49/562935149.db2.gz	RANKGGVDHMQTLD-UHFFFAOYSA-N	0	0	446.576	5.370	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC	ZINC000003408000	562935241	/nfs/dbraw/zinc/93/52/41/562935241.db2.gz	RQABYHLIAJVIRI-UHFFFAOYSA-N	0	0	434.590	5.864	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000005158349	562943780	/nfs/dbraw/zinc/94/37/80/562943780.db2.gz	FELCJAPFJOPHSD-ROUWMTJPSA-N	0	0	440.712	7.204	50	30	biogenic,in-vitro	IKEARN
C#CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1Cl	ZINC000006181446	562946395	/nfs/dbraw/zinc/94/63/95/562946395.db2.gz	MIOCETMZXKIKDO-UHFFFAOYSA-N	0	0	446.959	5.478	50	30	aggregator	IKEARN
CC(C)OC(=O)CC(=O)CSc1nc(-c2ccc(F)cc2)cc(-c2ccccc2)c1C#N	ZINC000008448689	562949398	/nfs/dbraw/zinc/94/93/98/562949398.db2.gz	OMTAFPSNTKZADS-UHFFFAOYSA-N	0	0	448.519	5.429	50	30		IKEARN
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC	ZINC000008437868	562949437	/nfs/dbraw/zinc/94/94/37/562949437.db2.gz	YIYWVUOIZVUKHF-UHFFFAOYSA-N	0	0	447.373	5.763	50	30		IKEARN
FC(F)(F)c1ccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)cc1	ZINC000008681168	562961618	/nfs/dbraw/zinc/96/16/18/562961618.db2.gz	BTCVLIHSUWIGCY-UHFFFAOYSA-N	0	0	426.238	6.479	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1	ZINC000008809623	562964288	/nfs/dbraw/zinc/96/42/88/562964288.db2.gz	FVYFDMIJOXJRSQ-UHFFFAOYSA-N	0	0	435.552	6.327	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000012865429	562983299	/nfs/dbraw/zinc/98/32/99/562983299.db2.gz	IBHLVHLIYYDTRV-IOIAFZSCSA-N	0	0	439.728	8.494	50	30	biogenic	IKEARN
CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccccc1Sc1ccccc1C#N	ZINC000012972132	562983675	/nfs/dbraw/zinc/98/36/75/562983675.db2.gz	XCWFRGNEDKPWJG-UHFFFAOYSA-N	0	0	435.936	5.074	50	30		IKEARN
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000013448419	562987108	/nfs/dbraw/zinc/98/71/08/562987108.db2.gz	YBCYJDNOPAFFOW-XOAARHKISA-N	0	0	437.587	5.429	50	30	in-vitro	IKEARN
Fc1ccc(N2CCN(c3ccc4c(n3)nc(C(F)(F)F)cc4C(F)(F)F)CC2)cc1	ZINC000020218688	563024134	/nfs/dbraw/zinc/02/41/34/563024134.db2.gz	MVFAZLWCBJPGAR-UHFFFAOYSA-N	0	0	444.354	5.133	50	30		IKEARN
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc(Oc2ccccc2)c1	ZINC000024302581	563027329	/nfs/dbraw/zinc/02/73/29/563027329.db2.gz	KQHXNOPSPSWLIW-UHFFFAOYSA-N	0	0	445.515	5.172	50	30		IKEARN
CCCCCCCc1ccc(/C=C/c2nc(-c3ccc(Br)cc3)no2)cc1	ZINC000097965395	568615474	/nfs/dbraw/zinc/61/54/74/568615474.db2.gz	WOTGGVUJGZIZEF-SFQUDFHCSA-N	0	0	425.370	7.182	50	30		IKEARN
CCCCCCCCCP(=O)(CCCCCCCCC)CCCCCCCCC	ZINC000100072400	568619654	/nfs/dbraw/zinc/61/96/54/568619654.db2.gz	QRFDIEMZNYYUIL-UHFFFAOYSA-N	0	0	428.726	10.601	50	30		IKEARN
Cc1nn(-c2ccccc2)c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c1C#N	ZINC000019010324	568632010	/nfs/dbraw/zinc/63/20/10/568632010.db2.gz	VRGQMSAEMQXWAQ-UHFFFAOYSA-N	0	0	448.861	5.060	50	30		IKEARN
C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1	ZINC000000900642	568635725	/nfs/dbraw/zinc/63/57/25/568635725.db2.gz	BMVDLWCTPIDDEM-ZDUSSCGKSA-N	0	0	428.439	5.153	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C)cc2)c1-c1ccc(C#N)cc1	ZINC000025142330	568639971	/nfs/dbraw/zinc/63/99/71/568639971.db2.gz	KELBFRDWLOVJIU-UHFFFAOYSA-N	0	0	437.543	6.377	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2Cc1cccc(F)c1	ZINC000025142992	568640477	/nfs/dbraw/zinc/64/04/77/568640477.db2.gz	QZNKTFHAYHQDTE-UHFFFAOYSA-N	0	0	445.519	5.564	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)NCc3ccccc3)n2)cc1	ZINC000000978549	568647480	/nfs/dbraw/zinc/64/74/80/568647480.db2.gz	SYKTYFQDXHJDJR-UHFFFAOYSA-N	0	0	439.540	5.597	50	30		IKEARN
Cc1cc(C)c(C#N)c(Oc2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)n1	ZINC000000970402	568647517	/nfs/dbraw/zinc/64/75/17/568647517.db2.gz	ZXSWZMCTVZMEBK-UHFFFAOYSA-N	0	0	442.302	5.687	50	30		IKEARN
COC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N	ZINC000001026311	568653130	/nfs/dbraw/zinc/65/31/30/568653130.db2.gz	DZFLLDPDTTZICH-UHFFFAOYSA-N	0	0	442.949	5.226	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1cccs1	ZINC000001030535	568653694	/nfs/dbraw/zinc/65/36/94/568653694.db2.gz	XQRHHEAEMRWLDQ-ZRBLBEILSA-N	0	0	441.943	5.686	50	30		IKEARN
CCc1c(C#N)c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2c1C(=O)CC(C)(C)C2	ZINC000001076332	568654902	/nfs/dbraw/zinc/65/49/02/568654902.db2.gz	OLAMJSSUHKIVLK-UHFFFAOYSA-N	0	0	431.561	5.436	50	30		IKEARN
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc([N+](=O)[O-])ccc2Cl)ccc1O	ZINC000001058949	568655199	/nfs/dbraw/zinc/65/51/99/568655199.db2.gz	YUFZRDDYIQQHQI-ZMOGYAJESA-N	0	0	436.855	5.418	50	30		IKEARN
CN(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000001066941	568656247	/nfs/dbraw/zinc/65/62/47/568656247.db2.gz	JOSQWVUJSQNGPM-HSZRJFAPSA-N	0	0	446.934	5.185	50	30		IKEARN
Cc1ccc(NC2=C(C(=O)c3ccco3)[C@@H](c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001076107	568656823	/nfs/dbraw/zinc/65/68/23/568656823.db2.gz	OBXAAWFCOTYJHK-AREMUKBSSA-N	0	0	434.495	5.925	50	30		IKEARN
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1	ZINC000001080678	568657163	/nfs/dbraw/zinc/65/71/63/568657163.db2.gz	QNYKKNYGBJWNJR-XMMPIXPASA-N	0	0	425.488	5.225	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1	ZINC000001080669	568657236	/nfs/dbraw/zinc/65/72/36/568657236.db2.gz	JQWFQKQZQDOHLD-XMMPIXPASA-N	0	0	425.488	5.225	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1	ZINC000001127680	568659906	/nfs/dbraw/zinc/65/99/06/568659906.db2.gz	NFVHGMOUROWBMV-GFCCVEGCSA-N	0	0	425.351	5.913	50	30		IKEARN
CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000001145233	568661108	/nfs/dbraw/zinc/66/11/08/568661108.db2.gz	JYUVZCUGGYUEOC-SJLPKXTDSA-N	0	0	444.569	5.829	50	30		IKEARN
Cc1cccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1C	ZINC000082050483	568732830	/nfs/dbraw/zinc/73/28/30/568732830.db2.gz	OAVSILUWQJDZJW-UHFFFAOYSA-N	0	0	426.520	5.351	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])c1	ZINC000001197991	568736824	/nfs/dbraw/zinc/73/68/24/568736824.db2.gz	HWDIOQVTFRUWJI-DKUDOZJNSA-N	0	0	440.455	5.086	50	30		IKEARN
O=S(=O)(NCc1ccc(/C=N/c2ccc(OCc3ccccc3)cc2)o1)c1ccccc1	ZINC000001209457	568737299	/nfs/dbraw/zinc/73/72/99/568737299.db2.gz	WLVBHWBEGVDVHV-YZSQISJMSA-N	0	0	446.528	5.088	50	30		IKEARN
N#Cc1cccc(CN2CCCN(c3ccc(NC(=O)OCc4ccccc4)cc3)C2=O)c1	ZINC000034734340	568737597	/nfs/dbraw/zinc/73/75/97/568737597.db2.gz	DMZHJNLFOGNYKA-UHFFFAOYSA-N	0	0	440.503	5.139	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccncc1	ZINC000005945455	568739229	/nfs/dbraw/zinc/73/92/29/568739229.db2.gz	VFPAKCGPAXNMFZ-UHFFFAOYSA-N	0	0	426.560	5.972	50	30		IKEARN
CCc1nc(SCC(=O)Nc2ccc(F)c(Cl)c2)c(C#N)c(C(F)(F)F)c1C	ZINC000005949898	568739234	/nfs/dbraw/zinc/73/92/34/568739234.db2.gz	YZQVDLVDBBZKEH-UHFFFAOYSA-N	0	0	431.842	5.366	50	30		IKEARN
CC(C)(C)c1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	ZINC000005944478	568739239	/nfs/dbraw/zinc/73/92/39/568739239.db2.gz	AZHAMPANSBXJOC-WPWMEQJKSA-N	0	0	445.588	5.300	50	30		IKEARN
FC(F)(F)c1nnc(SCc2ccc(Br)cc2)n1/N=C/c1ccccc1	ZINC000001779094	568739855	/nfs/dbraw/zinc/73/98/55/568739855.db2.gz	PFQAVJOKVNRCAI-LSHDLFTRSA-N	0	0	441.276	5.234	50	30		IKEARN
CC(C)(C)c1cc(C2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O	ZINC000001807248	568740864	/nfs/dbraw/zinc/74/08/64/568740864.db2.gz	VAUMYTNIJZYMAZ-UHFFFAOYSA-N	0	0	445.603	6.263	50	30		IKEARN
CCCSc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000003629009	568751879	/nfs/dbraw/zinc/75/18/79/568751879.db2.gz	QAGHSTAHQODNSJ-HNNXBMFYSA-N	0	0	445.585	5.343	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@H]2c1ccccc1	ZINC000003668706	568754118	/nfs/dbraw/zinc/75/41/18/568754118.db2.gz	ACYKWABLGUABAR-DEOSSOPVSA-N	0	0	435.995	7.152	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1	ZINC000031854375	568758531	/nfs/dbraw/zinc/75/85/31/568758531.db2.gz	MTNMUFPQPPTRAG-WGARJPEWSA-N	0	0	449.963	6.497	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000004027528	568758672	/nfs/dbraw/zinc/75/86/72/568758672.db2.gz	UOCUEIOMIAYZNI-WMVXCVSDSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O	ZINC000263586592	568759335	/nfs/dbraw/zinc/75/93/35/568759335.db2.gz	WAORZBROFWIQDM-NBZOHKLQSA-N	0	0	434.394	5.031	50	30	biogenic	IKEARN
Cc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccnc3)C2)cc1	ZINC000004035915	568759641	/nfs/dbraw/zinc/75/96/41/568759641.db2.gz	CQFWKIXFDAHDJB-DWACAAAGSA-N	0	0	449.554	5.701	50	30		IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O	ZINC000263586833	568759645	/nfs/dbraw/zinc/75/96/45/568759645.db2.gz	YKCFBZLHKFKMBQ-NBZOHKLQSA-N	0	0	448.858	5.111	50	30	biogenic	IKEARN
O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)nc1	ZINC000004048030	568759873	/nfs/dbraw/zinc/75/98/73/568759873.db2.gz	LENVLVPFRGGQQA-PGGKNCGUSA-N	0	0	435.242	5.461	50	30		IKEARN
Cc1ccc(-c2nc(SCc3ccc(C(C)(C)C)cc3)c(C#N)c3c2CCCC3)cc1	ZINC000004049789	568759895	/nfs/dbraw/zinc/75/98/95/568759895.db2.gz	LKEPQLUSFIWYCL-UHFFFAOYSA-N	0	0	426.629	7.397	50	30		IKEARN
CCOC(=O)c1c(-c2cccs2)csc1/N=C/c1cc(Br)ccc1O	ZINC000001251176	568775137	/nfs/dbraw/zinc/77/51/37/568775137.db2.gz	KSBHZMQYSVKZDU-AWQFTUOYSA-N	0	0	436.352	5.872	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3ccccc3F)C12	ZINC000001283419	568776760	/nfs/dbraw/zinc/77/67/60/568776760.db2.gz	PFVAKQXPCZSFFH-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccccc3F)C12	ZINC000001283418	568776786	/nfs/dbraw/zinc/77/67/86/568776786.db2.gz	PFVAKQXPCZSFFH-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
COc1ccc(N=C(N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1	ZINC000263621565	568778323	/nfs/dbraw/zinc/77/83/23/568778323.db2.gz	STMWIRUKXDCINS-UHFFFAOYSA-N	0	0	432.549	5.334	50	30		IKEARN
C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3	ZINC000001297723	568778812	/nfs/dbraw/zinc/77/88/12/568778812.db2.gz	GSAJOYCTDXCTOH-GOSISDBHSA-N	0	0	426.607	5.076	50	30		IKEARN
CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000001382809	568784102	/nfs/dbraw/zinc/78/41/02/568784102.db2.gz	VDZQPQYBDBIKTN-HNNXBMFYSA-N	0	0	427.850	5.050	50	30		IKEARN
CN(C)/C=C/C(=O)c1ccc(NC(=O)CC2(c3ccccc3)C3CC4CC(C3)CC2C4)cc1	ZINC000001391362	568785122	/nfs/dbraw/zinc/78/51/22/568785122.db2.gz	SKNNAVVSQOPSIR-OUKQBFOZSA-N	0	0	442.603	5.667	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccccc1F)N=C(SCc1cnc(Cl)s1)N2	ZINC000001406991	568787365	/nfs/dbraw/zinc/78/73/65/568787365.db2.gz	PHTZGMYJYIDWCB-SFHVURJKSA-N	0	0	441.940	5.477	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1	ZINC000016805403	568793182	/nfs/dbraw/zinc/79/31/82/568793182.db2.gz	AQRMEMUNEMGHNS-UHFFFAOYSA-N	0	0	443.450	5.378	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421946	568793183	/nfs/dbraw/zinc/79/31/83/568793183.db2.gz	WICGYMIPKFLOTE-ZDUSSCGKSA-N	0	0	433.624	5.264	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2	ZINC000001424708	568793756	/nfs/dbraw/zinc/79/37/56/568793756.db2.gz	WGADOOZKZYOCEQ-IVCQMTBJSA-N	0	0	436.467	5.515	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2	ZINC000001424707	568793764	/nfs/dbraw/zinc/79/37/64/568793764.db2.gz	WGADOOZKZYOCEQ-CPJLOUKISA-N	0	0	436.467	5.515	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001427812	568794129	/nfs/dbraw/zinc/79/41/29/568794129.db2.gz	IROPHWKZMNPUBU-MHECFPHRSA-N	0	0	441.556	5.143	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccccc1	ZINC000001429561	568794323	/nfs/dbraw/zinc/79/43/23/568794323.db2.gz	IHGYYADFBJAGFF-SFHVURJKSA-N	0	0	430.573	5.662	50	30		IKEARN
CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	ZINC000001429783	568794335	/nfs/dbraw/zinc/79/43/35/568794335.db2.gz	XMIISBOWIQSXLS-CRAIPNDOSA-N	0	0	429.347	5.187	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCCC2	ZINC000001429599	568794353	/nfs/dbraw/zinc/79/43/53/568794353.db2.gz	ZEFVFTZAZMPPCK-IBGZPJMESA-N	0	0	448.563	5.945	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)c1	ZINC000001430137	568794432	/nfs/dbraw/zinc/79/44/32/568794432.db2.gz	JWFLFNWBIYTQJB-IBGZPJMESA-N	0	0	446.572	5.425	50	30		IKEARN
CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001430888	568794568	/nfs/dbraw/zinc/79/45/68/568794568.db2.gz	JIHNHILMTGHDLC-LJQANCHMSA-N	0	0	430.573	5.589	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCC2	ZINC000001430160	568794817	/nfs/dbraw/zinc/79/48/17/568794817.db2.gz	HGXDRSPJWKJWCL-GOSISDBHSA-N	0	0	434.536	5.555	50	30		IKEARN
CC(=O)N(c1nc(CSc2ccc(C#N)cc2Cl)cs1)c1ccc(C)c(C)c1	ZINC000084180565	568795869	/nfs/dbraw/zinc/79/58/69/568795869.db2.gz	ISHXOGLWFFONMM-UHFFFAOYSA-N	0	0	427.982	6.262	50	30		IKEARN
CCOc1cc(-c2nc3ccccn3c2/N=C/c2cc3c(cc2Cl)OCO3)ccc1O	ZINC000001436652	568800261	/nfs/dbraw/zinc/80/02/61/568800261.db2.gz	RVCBPTVHADRZLR-BRJLIKDPSA-N	0	0	435.867	5.238	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000006075525	568805646	/nfs/dbraw/zinc/80/56/46/568805646.db2.gz	KFWROXZOQYIJKS-UHFFFAOYSA-N	0	0	425.985	6.057	50	30		IKEARN
CCCCCC#CC#CCCCCCCCCCOc1ccc(-c2ccc(C#N)cc2)cc1	ZINC000008385773	568812617	/nfs/dbraw/zinc/81/26/17/568812617.db2.gz	NZNAYOKVPRPGJW-UHFFFAOYSA-N	0	0	439.643	8.312	50	30		IKEARN
Cc1ccc(C(=O)N/C(=N/c2cccc(C)c2)N2CCN(c3cc(C)ccc3C)CC2)cc1	ZINC000015729067	568813230	/nfs/dbraw/zinc/81/32/30/568813230.db2.gz	OUWGWIQLERTXCD-UHFFFAOYSA-N	0	0	440.591	5.160	50	30		IKEARN
COc1cccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)c2ccccc2Cl)c1	ZINC000015728929	568813261	/nfs/dbraw/zinc/81/32/61/568813261.db2.gz	NHPFAAJJVMQPPW-UHFFFAOYSA-N	0	0	446.938	5.080	50	30		IKEARN
C=C(C)Cc1c2c3ccnc4c3n(c2ccc1OCC(=O)OC(C)C)c(=O)c1ccccc14	ZINC000008792452	568816231	/nfs/dbraw/zinc/81/62/31/568816231.db2.gz	NWMJOOSLVXYANT-UHFFFAOYSA-N	0	0	440.499	5.041	50	30	biogenic	IKEARN
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1	ZINC000008745160	568816338	/nfs/dbraw/zinc/81/63/38/568816338.db2.gz	ZYGKPHHJHQYFNS-GOSISDBHSA-N	0	0	441.560	5.312	50	30		IKEARN
C=CCn1c(SCc2ccccc2C(=O)NCC(C)C)nnc1-c1ccccc1Cl	ZINC000085410537	568817836	/nfs/dbraw/zinc/81/78/36/568817836.db2.gz	CNLQKGYXEISUMJ-UHFFFAOYSA-N	0	0	441.000	5.463	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(OC)cc1	ZINC000009307143	568818319	/nfs/dbraw/zinc/81/83/19/568818319.db2.gz	PADPHGZSVFVSFF-UHFFFAOYSA-N	0	0	441.556	5.782	50	30		IKEARN
CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccccc2F)C2=C1CCCC2=O	ZINC000001461727	568819863	/nfs/dbraw/zinc/81/98/63/568819863.db2.gz	UIPTYEFGRMYLRF-UHFFFAOYSA-N	0	0	431.507	5.448	50	30		IKEARN
C=C1[C@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000001462543	568819868	/nfs/dbraw/zinc/81/98/68/568819868.db2.gz	CRZLCZVPGSGGGD-NSOVKSMOSA-N	0	0	444.534	6.400	50	30		IKEARN
CC(=O)Nc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2Br)cc1	ZINC000001464878	568820282	/nfs/dbraw/zinc/82/02/82/568820282.db2.gz	DAXFWCQJGFPXKL-ZVHZXABRSA-N	0	0	437.293	5.377	50	30		IKEARN
COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC	ZINC000006075271	568820674	/nfs/dbraw/zinc/82/06/74/568820674.db2.gz	FFQWKIASRBTZQZ-AWEZNQCLSA-N	0	0	428.554	5.049	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1	ZINC000006075377	568821022	/nfs/dbraw/zinc/82/10/22/568821022.db2.gz	ZBAQJLCOJTVOJR-YZSQISJMSA-N	0	0	431.561	5.524	50	30		IKEARN
C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)c(OCC=C)c1	ZINC000006073534	568821097	/nfs/dbraw/zinc/82/10/97/568821097.db2.gz	LCNDWZKLFJMSFO-DJKKODMXSA-N	0	0	431.822	5.092	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000006077216	568821303	/nfs/dbraw/zinc/82/13/03/568821303.db2.gz	DRNJSODQIMEPOL-AREMUKBSSA-N	0	0	441.531	6.124	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1OC	ZINC000013804447	568824065	/nfs/dbraw/zinc/82/40/65/568824065.db2.gz	SJBUWGVOAJXJMA-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCOc1ccc(C=C2SC(Nc3ccc(Cl)cc3C(F)(F)F)=NC2=O)cc1	ZINC000013804939	568824083	/nfs/dbraw/zinc/82/40/83/568824083.db2.gz	BEVXQFDFLNCLDI-YVLHZVERSA-N	0	0	438.858	6.006	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccc(Cl)c1	ZINC000013803755	568824091	/nfs/dbraw/zinc/82/40/91/568824091.db2.gz	RKIOVOIARZAAQR-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cccc(Cl)c1	ZINC000013805626	568824106	/nfs/dbraw/zinc/82/41/06/568824106.db2.gz	CHIBDJPKIKYGPM-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2cccc(C)c2)SC1=S	ZINC000013942304	568824448	/nfs/dbraw/zinc/82/44/48/568824448.db2.gz	UFVVHBVWZBYHFY-ZHZULCJRSA-N	0	0	445.993	5.493	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O	ZINC000013943087	568824498	/nfs/dbraw/zinc/82/44/98/568824498.db2.gz	JSRJTDRTOMCTPD-WOJGMQOQSA-N	0	0	448.327	5.251	50	30		IKEARN
C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O	ZINC000013939700	568824546	/nfs/dbraw/zinc/82/45/46/568824546.db2.gz	NFVZSOFQOSJYBQ-UNOMPAQXSA-N	0	0	445.899	5.126	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccccc1Cl	ZINC000014068364	568824800	/nfs/dbraw/zinc/82/48/00/568824800.db2.gz	VZQJDUBZNWLEEM-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
C=CCn1c(SCC(=O)c2cccc3ccccc32)nnc1[C@@H]1COc2ccccc2O1	ZINC000014141883	568825051	/nfs/dbraw/zinc/82/50/51/568825051.db2.gz	JZBFCHKJWBTICL-QHCPKHFHSA-N	0	0	443.528	5.105	50	30		IKEARN
C=C(C)C(=O)OCCCc1cc(-n2nc3ccc(Cl)cc3n2)c(O)c(C(C)(C)C)c1	ZINC000014401218	568826024	/nfs/dbraw/zinc/82/60/24/568826024.db2.gz	RLWDBZIHAUEHLO-UHFFFAOYSA-N	0	0	427.932	5.129	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@H](C)C3	ZINC000000985907	568832508	/nfs/dbraw/zinc/83/25/08/568832508.db2.gz	KVVDLBFCGSPPLS-AWEZNQCLSA-N	0	0	440.590	5.180	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3	ZINC000000986180	568832537	/nfs/dbraw/zinc/83/25/37/568832537.db2.gz	PXSCLSQDJPNZKS-SFHVURJKSA-N	0	0	426.607	5.521	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(Cl)c2)c1	ZINC000018089641	568832920	/nfs/dbraw/zinc/83/29/20/568832920.db2.gz	IEPDSHZEDUXBDJ-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
C=C(C)Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2ccccc2c1=O	ZINC000001068069	568832966	/nfs/dbraw/zinc/83/29/66/568832966.db2.gz	KRGLEZOTSMTPRH-UHFFFAOYSA-N	0	0	441.556	5.430	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)SC1=S	ZINC000001180486	568833250	/nfs/dbraw/zinc/83/32/50/568833250.db2.gz	GABUXUQILBDUGP-UUASQNMZSA-N	0	0	441.317	5.549	50	30		IKEARN
C=CCn1c2ccccc2c2nnc(Sc3ccc(C(F)(F)F)cc3[N+](=O)[O-])nc21	ZINC000001427834	568833791	/nfs/dbraw/zinc/83/37/91/568833791.db2.gz	OWNWGZBJSPMCEU-UHFFFAOYSA-N	0	0	431.399	5.244	50	30		IKEARN
CCOc1cccc(/C=N/c2ccc(NC(=O)c3ccccc3)c(Br)c2)c1O	ZINC000001505754	568834004	/nfs/dbraw/zinc/83/40/04/568834004.db2.gz	XDUUUNGTMPTOJQ-ZVHZXABRSA-N	0	0	439.309	5.556	50	30		IKEARN
C=CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC	ZINC000001791344	568834201	/nfs/dbraw/zinc/83/42/01/568834201.db2.gz	ZLPXLILHGYTHOS-XMMPIXPASA-N	0	0	441.556	5.856	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060635	568834369	/nfs/dbraw/zinc/83/43/69/568834369.db2.gz	YMKUACBKVJMHGY-HXUWFJFHSA-N	0	0	448.632	5.524	50	30	biogenic	IKEARN
C=CCOc1cc(OCc2ccccc2)c(C(C)=O)c(OCc2ccccc2)c1C(C)=O	ZINC000002144706	568834625	/nfs/dbraw/zinc/83/46/25/568834625.db2.gz	ZIXYXYKIRMKCAJ-UHFFFAOYSA-N	0	0	430.500	5.815	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3	ZINC000002181978	568834707	/nfs/dbraw/zinc/83/47/07/568834707.db2.gz	WRPZWLIKUBFLTH-UHFFFAOYSA-N	0	0	440.634	5.795	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccccc1Cl)N(C(=O)CC)c1ccccc1-2	ZINC000002114349	568834709	/nfs/dbraw/zinc/83/47/09/568834709.db2.gz	JXBQPARWZJTDRG-NRFANRHFSA-N	0	0	438.940	5.304	50	30		IKEARN
C=CCn1nc(-c2ccccc2)c2c(nn(-c3cccc(OC)c3)c2-c2ccccc2)c1=O	ZINC000002181183	568834710	/nfs/dbraw/zinc/83/47/10/568834710.db2.gz	HKIQVGJWDMOQMH-UHFFFAOYSA-N	0	0	434.499	5.111	50	30		IKEARN
C=CCOc1ccc([C@@H]2Oc3nc(SC)nnc3-c3ccccc3N2C(=O)CCC)cc1	ZINC000002113894	568834711	/nfs/dbraw/zinc/83/47/11/568834711.db2.gz	VNQNZAZPMBQKNI-QHCPKHFHSA-N	0	0	448.548	5.050	50	30		IKEARN
C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O	ZINC000002177201	568834719	/nfs/dbraw/zinc/83/47/19/568834719.db2.gz	QSMHDNDAYHFFEK-XDHOZWIPSA-N	0	0	447.915	5.679	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002208338	568834857	/nfs/dbraw/zinc/83/48/57/568834857.db2.gz	IYXIFBXMMFGACQ-UHFFFAOYSA-N	0	0	444.600	5.944	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1	ZINC000002374284	568835041	/nfs/dbraw/zinc/83/50/41/568835041.db2.gz	ZJWZUEBVDXNYMW-UHFFFAOYSA-N	0	0	443.532	5.049	50	30		IKEARN
C=CC/N=c1\scc(-c2ccc(-c3ccccc3)cc2)n1NC(=O)Nc1ccccc1	ZINC000002381323	568835057	/nfs/dbraw/zinc/83/50/57/568835057.db2.gz	RTWIZDYABLYMER-QPLCGJKRSA-N	0	0	426.545	5.746	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2sc(C)c(C)c2c1=O	ZINC000002367068	568835238	/nfs/dbraw/zinc/83/52/38/568835238.db2.gz	YSSKJXGNFHIWDD-UHFFFAOYSA-N	0	0	427.595	5.115	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002454478	568835670	/nfs/dbraw/zinc/83/56/70/568835670.db2.gz	FTKCQGUKEQWPBA-UHFFFAOYSA-N	0	0	441.000	5.813	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002453493	568835958	/nfs/dbraw/zinc/83/59/58/568835958.db2.gz	IAFRDBHDFBUYHJ-UHFFFAOYSA-N	0	0	436.581	5.168	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(OC)cc1	ZINC000002452843	568836004	/nfs/dbraw/zinc/83/60/04/568836004.db2.gz	KCKRGPNDSCNWIK-UHFFFAOYSA-N	0	0	442.972	5.141	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(C)c1	ZINC000002452740	568836005	/nfs/dbraw/zinc/83/60/05/568836005.db2.gz	XCNXHODEFYFLSV-UHFFFAOYSA-N	0	0	440.572	5.837	50	30		IKEARN
CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2	ZINC000001151824	568836602	/nfs/dbraw/zinc/83/66/02/568836602.db2.gz	QBJZSIUZSHMAFI-HXUWFJFHSA-N	0	0	439.606	5.088	50	30		IKEARN
O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000001118589	568836679	/nfs/dbraw/zinc/83/66/79/568836679.db2.gz	FCZJQKYLOUNOCD-IBGZPJMESA-N	0	0	428.271	5.365	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019850876	568836797	/nfs/dbraw/zinc/83/67/97/568836797.db2.gz	IIROCNQGLPEUAO-XMMPIXPASA-N	0	0	447.554	5.134	50	30		IKEARN
CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2	ZINC000004125669	568836800	/nfs/dbraw/zinc/83/68/00/568836800.db2.gz	XJGKXBLESHAYIE-HXUWFJFHSA-N	0	0	439.606	5.088	50	30		IKEARN
O=C(Cc1ccccc1)ON[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	ZINC000003137402	568841824	/nfs/dbraw/zinc/84/18/24/568841824.db2.gz	XCPRKWZJHBFJOP-OAHLLOKOSA-N	0	0	442.557	5.392	50	30		IKEARN
Brc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2Br)cc1	ZINC000002147014	568842048	/nfs/dbraw/zinc/84/20/48/568842048.db2.gz	UIYHOCZXZIAYAD-RNIAWFEPSA-N	0	0	442.154	6.713	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(/N=C/c2ccc(/C=N/c3cc([N+](=O)[O-])ccc3Cl)cc2)c1	ZINC000002164881	568842203	/nfs/dbraw/zinc/84/22/03/568842203.db2.gz	QBGRBRMCWPADQZ-ASIDMNOUSA-N	0	0	443.246	6.311	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(-c2ccc(F)cc2)cs1	ZINC000025694700	568842715	/nfs/dbraw/zinc/84/27/15/568842715.db2.gz	SPXJYNTZSMMERY-UHFFFAOYSA-N	0	0	449.591	6.527	50	30		IKEARN
C=C[C@H](CCC1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1	ZINC000043198817	568842982	/nfs/dbraw/zinc/84/29/82/568842982.db2.gz	VDGIQSSYFMFIRB-DHIUTWEWSA-N	0	0	436.686	7.980	50	30		IKEARN
C=C[C@@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1	ZINC000043762863	568843196	/nfs/dbraw/zinc/84/31/96/568843196.db2.gz	QRKKLUUKPHEPNI-KLORDNOQSA-N	0	0	436.658	5.855	50	30		IKEARN
O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Br)cc1	ZINC000100457313	568843262	/nfs/dbraw/zinc/84/32/62/568843262.db2.gz	WZKCMIFEDFBTBL-YDZHTSKRSA-N	0	0	441.350	5.636	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C)ccc1OC	ZINC000100856168	568843560	/nfs/dbraw/zinc/84/35/60/568843560.db2.gz	FKANRVNRUGJXQB-UHFFFAOYSA-N	0	0	432.693	8.387	50	30		IKEARN
CCCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000101022346	568843668	/nfs/dbraw/zinc/84/36/68/568843668.db2.gz	GEVYEZSWYNSSOX-INIZCTEOSA-N	0	0	438.852	5.536	50	30		IKEARN
O=C1CCCC(=O)C1[C@@H](Sc1ccccc1)[C@@H]1CC2c3ccccc3C1c1ccccc12	ZINC000101082256	568843696	/nfs/dbraw/zinc/84/36/96/568843696.db2.gz	UXFUODISDMCESE-WOQBMBJYSA-N	0	0	438.592	7.010	50	30		IKEARN
CCOC(=O)[C@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000006134515	568844807	/nfs/dbraw/zinc/84/48/07/568844807.db2.gz	JJVQOPITPCPTBY-QHCPKHFHSA-N	0	0	432.545	5.730	50	30		IKEARN
CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N	ZINC000006134574	568844869	/nfs/dbraw/zinc/84/48/69/568844869.db2.gz	CNRZJMLGILQIBC-HSZRJFAPSA-N	0	0	432.545	5.730	50	30		IKEARN
CC(C)(C)c1cc(/N=C/C=C\C2=C3N(CCC2)c2ccccc2C3(C)C)cc(C(C)(C)C)c1	ZINC000006142335	568845399	/nfs/dbraw/zinc/84/53/99/568845399.db2.gz	PQNSURMKLICNHT-ZDQSCIKASA-N	0	0	440.675	8.386	50	30		IKEARN
CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006149648	568847005	/nfs/dbraw/zinc/84/70/05/568847005.db2.gz	IQXCHKVPMKFAJC-RUZDIDTESA-N	0	0	449.635	7.459	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)NC1CCCCCC1	ZINC000015867223	568850649	/nfs/dbraw/zinc/85/06/49/568850649.db2.gz	AMNUINMVOITLRY-SANMLTNESA-N	0	0	433.552	5.099	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc4c(c3)OCO4)n2)nnc1C1CCCC1	ZINC000017095067	568850936	/nfs/dbraw/zinc/85/09/36/568850936.db2.gz	SXIBLMYFPKLKRG-UHFFFAOYSA-N	0	0	426.567	5.266	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccccc3Cl)n2)nnc1-c1cccnc1	ZINC000017094688	568851034	/nfs/dbraw/zinc/85/10/34/568851034.db2.gz	SOIYWQNRFDUNQU-UHFFFAOYSA-N	0	0	425.970	5.595	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1csc(C)c1CC	ZINC000017095094	568851130	/nfs/dbraw/zinc/85/11/30/568851130.db2.gz	JJTGKPBNLHANOR-HNNXBMFYSA-N	0	0	426.611	5.033	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3CC)c2c1	ZINC000015880455	568854793	/nfs/dbraw/zinc/85/47/93/568854793.db2.gz	UKUADUCIZNMZLC-UHFFFAOYSA-N	0	0	441.527	6.878	50	30		IKEARN
C=CC[C@@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1	ZINC000019851493	568855274	/nfs/dbraw/zinc/85/52/74/568855274.db2.gz	HDXYEAZGUNXZCQ-QHCPKHFHSA-N	0	0	427.976	5.214	50	30		IKEARN
C=C(C)CSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3	ZINC000020191727	568855761	/nfs/dbraw/zinc/85/57/61/568855761.db2.gz	CGGRWHNBDNEGBW-UHFFFAOYSA-N	0	0	426.611	5.359	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2ccoc2C)o1)c1nc(-c2ccccc2)cs1	ZINC000026129317	568862512	/nfs/dbraw/zinc/86/25/12/568862512.db2.gz	MCHFVRHLROEJOO-UHFFFAOYSA-N	0	0	438.534	5.073	50	30		IKEARN
C=CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c21)c1nc2c(s1)CCCC2	ZINC000029077100	568864701	/nfs/dbraw/zinc/86/47/01/568864701.db2.gz	HSHZCHWXICKEQJ-UHFFFAOYSA-N	0	0	430.533	5.366	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000016034448	568867658	/nfs/dbraw/zinc/86/76/58/568867658.db2.gz	YMCXLLPIHSKVQS-GIFXNVAJSA-N	0	0	437.524	5.167	50	30		IKEARN
N#CC1(C#N)[C@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@H]1c1ccc(Br)cc1F	ZINC000016037716	568868003	/nfs/dbraw/zinc/86/80/03/568868003.db2.gz	SPHGPQZGQGWSKW-FVWOVYMGSA-N	0	0	427.317	5.121	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccnc3)nc2c(C)c1	ZINC000006193471	568876672	/nfs/dbraw/zinc/87/66/72/568876672.db2.gz	DCNKZFLYBRJGTL-OAQYLSRUSA-N	0	0	441.512	5.091	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1OC	ZINC000006196540	568877093	/nfs/dbraw/zinc/87/70/93/568877093.db2.gz	LVACMOLCSLTQMM-RUZDIDTESA-N	0	0	446.547	5.009	50	30		IKEARN
C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000008897813	568877845	/nfs/dbraw/zinc/87/78/45/568877845.db2.gz	XJRNJVPPRHJVJP-NRFANRHFSA-N	0	0	446.528	5.108	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC3CCCCC3)n2)cc1	ZINC000006246046	568880668	/nfs/dbraw/zinc/88/06/68/568880668.db2.gz	QFVBJTLITRBXPO-UHFFFAOYSA-N	0	0	433.020	7.922	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000009460972	568883408	/nfs/dbraw/zinc/88/34/08/568883408.db2.gz	RFFXIAHPHFYOJG-JOCHJYFZSA-N	0	0	430.504	5.372	50	30		IKEARN
O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	ZINC000015980174	568894080	/nfs/dbraw/zinc/89/40/80/568894080.db2.gz	GUSXMQOYSGXSHA-XLUWADSXSA-N	0	0	432.234	6.729	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000006406265	568894387	/nfs/dbraw/zinc/89/43/87/568894387.db2.gz	XLTUYEOKLDGWRD-JXFKEZNVSA-N	0	0	446.330	5.059	50	30		IKEARN
COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1	ZINC000025424463	568895539	/nfs/dbraw/zinc/89/55/39/568895539.db2.gz	FQUHAZFHFGZLSW-NTCAYCPXSA-N	0	0	438.426	5.550	50	30		IKEARN
CCN(CC)c1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000096399856	568899046	/nfs/dbraw/zinc/89/90/46/568899046.db2.gz	SBBSOVIOYNQVMD-DQIQZUARSA-N	0	0	445.651	5.751	50	30		IKEARN
O=C(c1ccccc1Cl)C1=C2NC(=O)c3c4c(sc3N2Cc2ccccc21)CCCC4	ZINC000001751986	568904597	/nfs/dbraw/zinc/90/45/97/568904597.db2.gz	NDIOARATQWLFCT-UHFFFAOYSA-N	0	0	446.959	5.595	50	30		IKEARN
O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1ccc([N+](=O)[O-])cc1	ZINC000001779608	568906754	/nfs/dbraw/zinc/90/67/54/568906754.db2.gz	QRXQCQHIIHMQNA-JVWAILMASA-N	0	0	440.455	6.190	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1F	ZINC000006446061	568907413	/nfs/dbraw/zinc/90/74/13/568907413.db2.gz	CAYPLBWXIOMWFB-DSITVLBTSA-N	0	0	437.449	5.249	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCc2ccc(CSc3nc(C)cc(C)c3C#N)cc2)n1	ZINC000001806456	568908665	/nfs/dbraw/zinc/90/86/65/568908665.db2.gz	RVSDTHBAJUQBHF-UHFFFAOYSA-N	0	0	430.602	6.038	50	30		IKEARN
CN(C)c1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1	ZINC000001806643	568908732	/nfs/dbraw/zinc/90/87/32/568908732.db2.gz	FLCUCRXGCLWLML-UHFFFAOYSA-N	0	0	439.559	6.785	50	30		IKEARN
C=C(Br)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3	ZINC000001830077	568915786	/nfs/dbraw/zinc/91/57/86/568915786.db2.gz	NJGASNYDZXBICW-UHFFFAOYSA-N	0	0	448.455	6.318	50	30		IKEARN
O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1c(O)ccc2ccccc21	ZINC000001881005	568917374	/nfs/dbraw/zinc/91/73/74/568917374.db2.gz	MTXWALLGUQDLON-KBKYJPHKSA-N	0	0	431.904	5.519	50	30		IKEARN
N#Cc1cnc2c(c(-c3ccccc3)nn2-c2ccccc2)c1-c1nc2ccccc2s1	ZINC000016492389	568918157	/nfs/dbraw/zinc/91/81/57/568918157.db2.gz	NZRKCPYKMWPYQM-UHFFFAOYSA-N	0	0	429.508	6.236	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O	ZINC000016577980	568922856	/nfs/dbraw/zinc/92/28/56/568922856.db2.gz	CBNPQCAWVGCRDG-FQEVSTJZSA-N	0	0	443.341	5.385	50	30		IKEARN
Cc1ccc2oc(-c3ccc(C)c(/N=C/c4cc(Cc5ccccc5)ccc4O)c3)nc2c1	ZINC000001947838	568923624	/nfs/dbraw/zinc/92/36/24/568923624.db2.gz	UDGKOAXEYSJPQD-UXHLAJHPSA-N	0	0	432.523	7.159	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C)cc3C(=O)c3ccccc3)cc2)cc1	ZINC000001952950	568923852	/nfs/dbraw/zinc/92/38/52/568923852.db2.gz	HZIGHGSQOSDYHG-NDZAJKAJSA-N	0	0	433.507	6.569	50	30		IKEARN
O=C(c1ccccc1)c1cc(Br)ccc1/N=C/c1c(O)ccc2ccccc21	ZINC000001951218	568923878	/nfs/dbraw/zinc/92/38/78/568923878.db2.gz	RYCMKHNJKYPENL-CVKSISIWSA-N	0	0	430.301	6.290	50	30		IKEARN
O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\c1cccc([N+](=O)[O-])c1	ZINC000001844911	568925039	/nfs/dbraw/zinc/92/50/39/568925039.db2.gz	SJUZXOHAUYSXKW-NKVSQWTQSA-N	0	0	425.799	5.583	50	30		IKEARN
CCOc1ccccc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(Cl)cc32)CC1	ZINC000064473827	568930519	/nfs/dbraw/zinc/93/05/19/568930519.db2.gz	YHRZBICQQYOITB-UHFFFAOYSA-N	0	0	434.927	5.014	50	30		IKEARN
COc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1	ZINC000064473592	568930574	/nfs/dbraw/zinc/93/05/74/568930574.db2.gz	QACHQRMAWTYNFW-UHFFFAOYSA-N	0	0	428.536	5.094	50	30		IKEARN
CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1	ZINC000089573828	568937970	/nfs/dbraw/zinc/93/79/70/568937970.db2.gz	ARHNADHKODIXKB-KRWDZBQOSA-N	0	0	444.512	5.096	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/N=C(c3cccc4ccccc43)OC2=O)cc1OCC	ZINC000002059403	568941097	/nfs/dbraw/zinc/94/10/97/568941097.db2.gz	VEOFHEQIAKDPSC-KGENOOAVSA-N	0	0	433.891	5.801	50	30		IKEARN
N#Cc1c(N[C@@H](NC(=O)c2cccs2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002069274	568941266	/nfs/dbraw/zinc/94/12/66/568941266.db2.gz	URUMDWQFFQDLQU-OAHLLOKOSA-N	0	0	434.801	5.098	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000169616358	568968664	/nfs/dbraw/zinc/96/86/64/568968664.db2.gz	VMZONVWPTOGZEA-ISJGIBHGSA-N	0	0	435.914	5.624	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000169618332	568969368	/nfs/dbraw/zinc/96/93/68/568969368.db2.gz	YXTPEHBSPSFMKJ-DNVJHFABSA-N	0	0	425.488	5.171	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1	ZINC000006782324	568985226	/nfs/dbraw/zinc/98/52/26/568985226.db2.gz	SRCXWQQPKIWNSF-RUZDIDTESA-N	0	0	425.528	5.631	50	30	biogenic	IKEARN
C=CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1)[C@@H](C)CC	ZINC000169678634	568989957	/nfs/dbraw/zinc/98/99/57/568989957.db2.gz	VFRIOPBPRQZDCK-XUZZJYLKSA-N	0	0	449.595	5.137	50	30		IKEARN
N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1	ZINC000065034347	569091972	/nfs/dbraw/zinc/09/19/72/569091972.db2.gz	PXGSSDHPWOGTNU-UHFFFAOYSA-N	0	0	442.416	5.119	50	30		IKEARN
CSc1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1	ZINC000065034370	569091988	/nfs/dbraw/zinc/09/19/88/569091988.db2.gz	CCWZIVMTEKMBNW-UHFFFAOYSA-N	0	0	436.968	5.337	50	30		IKEARN
N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)CC1	ZINC000065034350	569092026	/nfs/dbraw/zinc/09/20/26/569092026.db2.gz	OABBVKLFYMKQCY-UHFFFAOYSA-N	0	0	442.416	5.119	50	30		IKEARN
CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc21	ZINC000065114712	569106588	/nfs/dbraw/zinc/10/65/88/569106588.db2.gz	VRAGTKFIHVHMHM-UHFFFAOYSA-N	0	0	447.491	5.112	50	30		IKEARN
CC(C)(C)c1cc(/C=N/[C@H](c2ccccc2)[C@H](O)c2ccccc2)c(O)c(C(C)(C)C)c1	ZINC000006995581	569116621	/nfs/dbraw/zinc/11/66/21/569116621.db2.gz	IXZSHYIACBWIFQ-QAAAZZFASA-N	0	0	429.604	6.881	50	30		IKEARN
CCOc1ccc2c(c1)sc1nc(-c3ccc(C#N)cc3)c(NCCCOC(C)C)n21	ZINC000065319375	569134863	/nfs/dbraw/zinc/13/48/63/569134863.db2.gz	VMWOAMJTTNMPCK-UHFFFAOYSA-N	0	0	434.565	5.713	50	30		IKEARN
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238950319	569138031	/nfs/dbraw/zinc/13/80/31/569138031.db2.gz	XRSQTRYZKZINBP-XMMPIXPASA-N	0	0	444.485	5.894	50	30		IKEARN
CCC1CCC(=Nn2c(-c3cccc(Cl)c3)csc2=NCCc2ccccc2)CC1	ZINC000588078952	569140418	/nfs/dbraw/zinc/14/04/18/569140418.db2.gz	BLSZAKDZWPYNBY-UHFFFAOYSA-N	0	0	438.040	6.818	50	30		IKEARN
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1	ZINC000009882246	569149538	/nfs/dbraw/zinc/14/95/38/569149538.db2.gz	WCLXRLMXNYGZMR-VWLOTQADSA-N	0	0	441.556	5.178	50	30		IKEARN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1	ZINC000016730660	569160510	/nfs/dbraw/zinc/16/05/10/569160510.db2.gz	BWFYLNNXSIZSPZ-UHFFFAOYSA-N	0	0	441.478	5.987	50	30		IKEARN
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000016728815	569160547	/nfs/dbraw/zinc/16/05/47/569160547.db2.gz	CLYCHEWWGXBNBU-UHFFFAOYSA-N	0	0	428.479	6.720	50	30		IKEARN
CCSc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)cc(C(F)(F)F)c1C#N	ZINC000016805626	569162125	/nfs/dbraw/zinc/16/21/25/569162125.db2.gz	ILYFJHHSLSXEJH-UHFFFAOYSA-N	0	0	432.442	6.469	50	30		IKEARN
N#Cc1c(N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002071608	569162204	/nfs/dbraw/zinc/16/22/04/569162204.db2.gz	OJELFPXQWGAYBY-KRWDZBQOSA-N	0	0	428.772	5.037	50	30		IKEARN
COc1cc(C(=O)Oc2ccc(/C=N/C34CC5CC(CC(C5)C3)C4)cc2)cc(OC)c1OC	ZINC000016943495	569166915	/nfs/dbraw/zinc/16/69/15/569166915.db2.gz	YMRGZDBWGCAUJU-LQKURTRISA-N	0	0	449.547	5.319	50	30		IKEARN
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	ZINC000017097325	569172849	/nfs/dbraw/zinc/17/28/49/569172849.db2.gz	MCSNZOBIVIMKIB-HUUCEWRRSA-N	0	0	431.001	6.139	50	30		IKEARN
Cc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2Cc2ccccc2)cc1	ZINC000017095563	569173196	/nfs/dbraw/zinc/17/31/96/569173196.db2.gz	PFHVPONELDKSGE-RWBSCQHUSA-N	0	0	427.573	5.865	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1	ZINC000002085381	569177269	/nfs/dbraw/zinc/17/72/69/569177269.db2.gz	KOSXHTIJZPIAFL-CYBMUJFWSA-N	0	0	431.399	6.176	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)sc2C1	ZINC000002081515	569177276	/nfs/dbraw/zinc/17/72/76/569177276.db2.gz	AEUQPGDABIMYAX-UEICXMAYSA-N	0	0	438.593	5.830	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccs1	ZINC000002207166	569180706	/nfs/dbraw/zinc/18/07/06/569180706.db2.gz	FSPOZUNJIDPRPK-UHFFFAOYSA-N	0	0	432.574	5.590	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccs1	ZINC000002370656	569180776	/nfs/dbraw/zinc/18/07/76/569180776.db2.gz	OICWKGRMSLIJGC-UHFFFAOYSA-N	0	0	448.573	5.716	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1	ZINC000100286323	569181715	/nfs/dbraw/zinc/18/17/15/569181715.db2.gz	VJTNNIVXOMIESC-UHFFFAOYSA-N	0	0	443.587	8.358	50	30		IKEARN
COC(=O)c1ccc(/C=C2\C[C@H](C(C)(C)C)C/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1	ZINC000252346961	569183033	/nfs/dbraw/zinc/18/30/33/569183033.db2.gz	NADWIFYTOHURMR-NCBKXCMZSA-N	0	0	446.543	5.752	50	30		IKEARN
CC1=CN2[C@H](C(=O)c3ccccc3)[C@H](c3cccc(F)c3)C(C#N)(C#N)[C@@H]2c2ccccc21	ZINC000252427244	569183310	/nfs/dbraw/zinc/18/33/10/569183310.db2.gz	YKULJWZFIDEUIU-KLJDGLGGSA-N	0	0	433.486	5.626	50	30		IKEARN
CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1	ZINC000252430995	569183578	/nfs/dbraw/zinc/18/35/78/569183578.db2.gz	XLLVCEWUWMRFCJ-NZOCOZLTSA-N	0	0	443.635	6.570	50	30		IKEARN
O=S(=O)(c1ccc(N=Cc2ccccc2OCc2ccccc2)cc1)N1CCCCC1	ZINC000252462619	569184727	/nfs/dbraw/zinc/18/47/27/569184727.db2.gz	UVGNBCNZANJVBV-UHFFFAOYSA-N	0	0	434.561	5.191	50	30		IKEARN
COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1	ZINC000002131670	569184935	/nfs/dbraw/zinc/18/49/35/569184935.db2.gz	HXUSHXYODUVSHP-IOFNULOHSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1	ZINC000002133402	569185053	/nfs/dbraw/zinc/18/50/53/569185053.db2.gz	JFDAJWXBYOTKBR-FTWDSPQQSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2Cl)nnc1-c1ccccn1	ZINC000002544576	569185868	/nfs/dbraw/zinc/18/58/68/569185868.db2.gz	PXBIANDWWWPBAM-UHFFFAOYSA-N	0	0	439.755	5.461	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Cl)sc2C1	ZINC000002158553	569187278	/nfs/dbraw/zinc/18/72/78/569187278.db2.gz	VPCGIDJRNCSMPJ-CYBMUJFWSA-N	0	0	446.041	5.941	50	30		IKEARN
CCOc1cc(C(=O)N2CCCSC2=Nc2ccccc2)cc(OCC)c1OCC	ZINC000252510674	569188623	/nfs/dbraw/zinc/18/86/23/569188623.db2.gz	BDZDJCNBXCZTMG-UHFFFAOYSA-N	0	0	428.554	5.150	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1	ZINC000002163509	569188854	/nfs/dbraw/zinc/18/88/54/569188854.db2.gz	MWZUIROGVOFBTI-LBPRGKRZSA-N	0	0	437.392	6.095	50	30		IKEARN
N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O	ZINC000002164633	569189021	/nfs/dbraw/zinc/18/90/21/569189021.db2.gz	YVEOFOWVGGOEFV-WSDLNYQXSA-N	0	0	446.915	6.032	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3Cl)cc2)c([N+](=O)[O-])c1	ZINC000252589162	569191732	/nfs/dbraw/zinc/19/17/32/569191732.db2.gz	AHQRGEMLHBQZBL-UHFFFAOYSA-N	0	0	426.816	5.181	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccccc3OCc3ccccc3)C(=O)N2C)cc1	ZINC000252589311	569191764	/nfs/dbraw/zinc/19/17/64/569191764.db2.gz	AINQTJXLCMPTIW-SIFMURAYSA-N	0	0	428.557	6.062	50	30		IKEARN
O=[N+]([O-])c1cc(-c2ccc(C=Nc3nc4ccccn4c3-c3ccco3)o2)ccc1Cl	ZINC000252591159	569192529	/nfs/dbraw/zinc/19/25/29/569192529.db2.gz	AYBYEPHXICIWIQ-UHFFFAOYSA-N	0	0	432.823	6.167	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2c(F)cccc2Cl)C(=O)N1c1ccccc1C	ZINC000252593547	569192838	/nfs/dbraw/zinc/19/28/38/569192838.db2.gz	BKUSRCLCTMTBJE-MBTIHVDPSA-N	0	0	436.939	6.905	50	30		IKEARN
CC(=NN1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000252593520	569192855	/nfs/dbraw/zinc/19/28/55/569192855.db2.gz	BKLPEKOJKKUVLX-XMMPIXPASA-N	0	0	438.358	5.761	50	30		IKEARN
Clc1ccccc1/C=C\C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000252594602	569192936	/nfs/dbraw/zinc/19/29/36/569192936.db2.gz	BTYMLZPPNWAYDA-DUGMZGOWSA-N	0	0	437.724	7.326	50	30		IKEARN
CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1cccc2ccccc21	ZINC000252594295	569192944	/nfs/dbraw/zinc/19/29/44/569192944.db2.gz	BQLAPSVLVYMZJW-HSZRJFAPSA-N	0	0	439.540	5.583	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1ccc2nc(-c3ccc4ccccc4c3)oc2c1	ZINC000252595543	569193036	/nfs/dbraw/zinc/19/30/36/569193036.db2.gz	CBWTVGWRYIPPEQ-UHFFFAOYSA-N	0	0	443.300	6.867	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1	ZINC000252595491	569193049	/nfs/dbraw/zinc/19/30/49/569193049.db2.gz	CAUZIJFGNYRKKO-SFHVURJKSA-N	0	0	447.482	5.160	50	30		IKEARN
CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O	ZINC000252595567	569193053	/nfs/dbraw/zinc/19/30/53/569193053.db2.gz	CCIADQUOKKTSCR-ZIHRUFSKSA-N	0	0	426.538	5.060	50	30		IKEARN
O=C(/C=C\c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1	ZINC000252596313	569193305	/nfs/dbraw/zinc/19/33/05/569193305.db2.gz	CIHHNIOZHNJFRI-IOMJMWMXSA-N	0	0	440.724	6.472	50	30		IKEARN
Cc1cc(C=[NH+][N-]c2cccc3cccnc32)cc(C=NNc2cccc3cccnc32)c1O	ZINC000252595364	569193193	/nfs/dbraw/zinc/19/31/93/569193193.db2.gz	CAJKUNQVRKQFLC-UHFFFAOYSA-N	0	0	446.514	5.689	50	30		IKEARN
COC(=O)c1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	ZINC000252596796	569193253	/nfs/dbraw/zinc/19/32/53/569193253.db2.gz	CMLPCGAZLNCEMU-MVPHNGGASA-N	0	0	442.540	5.899	50	30		IKEARN
O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(C=Nc2ccc(Cl)cc2)cc1	ZINC000252596311	569193320	/nfs/dbraw/zinc/19/33/20/569193320.db2.gz	CIHHNIOZHNJFRI-CTTWKOHPSA-N	0	0	440.724	6.472	50	30		IKEARN
CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)SC1=Nc1ccc(C)cc1	ZINC000252600416	569193420	/nfs/dbraw/zinc/19/34/20/569193420.db2.gz	DQXVIDBRVRIHAD-SIFMURAYSA-N	0	0	430.573	6.561	50	30		IKEARN
CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)SC1=Nc1ccc(C)cc1	ZINC000252600415	569193423	/nfs/dbraw/zinc/19/34/23/569193423.db2.gz	DQXVIDBRVRIHAD-DNKROPNVSA-N	0	0	430.573	6.561	50	30		IKEARN
CCCCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1ccccc1	ZINC000252599484	569193492	/nfs/dbraw/zinc/19/34/92/569193492.db2.gz	DJXCHFFEDDAQMU-IBGZPJMESA-N	0	0	429.973	5.409	50	30		IKEARN
CCCN1C(=O)/C(=C\c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252599760	569193504	/nfs/dbraw/zinc/19/35/04/569193504.db2.gz	DLGWNTCNKOEYDP-KAWQFOENSA-N	0	0	430.957	5.761	50	30		IKEARN
O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)ccc1Br	ZINC000252599928	569193673	/nfs/dbraw/zinc/19/36/73/569193673.db2.gz	DMYFXGQEPTYKMW-UHFFFAOYSA-N	0	0	445.660	5.669	50	30		IKEARN
N#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002207974	569193833	/nfs/dbraw/zinc/19/38/33/569193833.db2.gz	XWKNYQBLKSQUIU-UHFFFAOYSA-N	0	0	427.573	5.332	50	30		IKEARN
Clc1ccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl	ZINC000252601415	569193916	/nfs/dbraw/zinc/19/39/16/569193916.db2.gz	FAGKMJJHPRBFMV-UHFFFAOYSA-N	0	0	446.131	7.315	50	30		IKEARN
C=CCn1cc(/C=C2\SC(=Nc3ccc(C(=O)OC)cc3)N(CC)C2=O)c2ccccc21	ZINC000252602757	569194025	/nfs/dbraw/zinc/19/40/25/569194025.db2.gz	FKXSELWWZVAVTQ-JXJWTFEASA-N	0	0	445.544	5.238	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000252604829	569194289	/nfs/dbraw/zinc/19/42/89/569194289.db2.gz	GDWOIBUCYZPXAM-SBEYKLCGSA-N	0	0	440.568	6.677	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000252604828	569194292	/nfs/dbraw/zinc/19/42/92/569194292.db2.gz	GDWOIBUCYZPXAM-OFGWUVNBSA-N	0	0	440.568	6.677	50	30		IKEARN
COc1cc(Br)c(Br)c(C=Nc2ccc3ccccc3c2)c1O	ZINC000252607319	569194662	/nfs/dbraw/zinc/19/46/62/569194662.db2.gz	HAGNHINXYCWZFP-UHFFFAOYSA-N	0	0	435.115	5.830	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000252608173	569195213	/nfs/dbraw/zinc/19/52/13/569195213.db2.gz	HHSWCDIMZGCQOS-YOIRLTMBSA-N	0	0	431.561	6.113	50	30		IKEARN
Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1N=Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000252609376	569195351	/nfs/dbraw/zinc/19/53/51/569195351.db2.gz	HSSKSTDPRUHTLN-UHFFFAOYSA-N	0	0	435.823	5.844	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2sccc2C)C(=O)N1c1ccccc1CC	ZINC000252611293	569197282	/nfs/dbraw/zinc/19/72/82/569197282.db2.gz	IISNDDMLSLRENI-MPVWDOOLSA-N	0	0	432.614	6.990	50	30		IKEARN
C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O	ZINC000252613255	569197399	/nfs/dbraw/zinc/19/73/99/569197399.db2.gz	JACQLCOQEXLMCM-XMIRZNSJSA-N	0	0	448.588	6.066	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C	ZINC000252614607	569197499	/nfs/dbraw/zinc/19/74/99/569197499.db2.gz	JKQDMARGBGWDEQ-FQEVSTJZSA-N	0	0	441.984	5.357	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)ON=C1c2ccccc2-c2ccccc2C1=O	ZINC000252615832	569197533	/nfs/dbraw/zinc/19/75/33/569197533.db2.gz	JVRBOXDBWSYVGC-UHFFFAOYSA-N	0	0	428.447	5.650	50	30		IKEARN
CCOc1cccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O	ZINC000252614194	569197543	/nfs/dbraw/zinc/19/75/43/569197543.db2.gz	JGVNGGKGSNSQAK-UHFFFAOYSA-N	0	0	437.293	6.112	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C	ZINC000252614478	569197544	/nfs/dbraw/zinc/19/75/44/569197544.db2.gz	JKBFETATFPMYJS-FQEVSTJZSA-N	0	0	441.984	5.412	50	30		IKEARN
COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1	ZINC000252614948	569197581	/nfs/dbraw/zinc/19/75/81/569197581.db2.gz	JNZDVOKXDPDMSP-SXBLMXAXSA-N	0	0	436.558	5.681	50	30		IKEARN
Cc1c(N=Cc2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000252616789	569197715	/nfs/dbraw/zinc/19/77/15/569197715.db2.gz	KFIGDALUGGHDDJ-UHFFFAOYSA-N	0	0	446.557	5.589	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1	ZINC000252617475	569197755	/nfs/dbraw/zinc/19/77/55/569197755.db2.gz	KTPDPPXJUVXQGD-FQEVSTJZSA-N	0	0	441.984	5.412	50	30		IKEARN
C(=NN=C1SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1)c1ccco1	ZINC000252618096	569197938	/nfs/dbraw/zinc/19/79/38/569197938.db2.gz	LDRPNWYYHFXLJS-UHFFFAOYSA-N	0	0	449.539	6.683	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)cc2)N(CC)C1=O	ZINC000252620134	569199179	/nfs/dbraw/zinc/19/91/79/569199179.db2.gz	LXYQEMYXQSEUKH-SIFMURAYSA-N	0	0	430.573	6.561	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccc(OC)c(Br)c3)C(=O)N2C)cc1	ZINC000252620711	569199287	/nfs/dbraw/zinc/19/92/87/569199287.db2.gz	MKGALFJXTVPANF-OUCYFQBSSA-N	0	0	431.355	5.254	50	30		IKEARN
CC(=NOC(=O)Nc1c(C)cc(C)cc1C)C(C)=NOC(=O)Nc1c(C)cc(C)cc1C	ZINC000252620606	569199316	/nfs/dbraw/zinc/19/93/16/569199316.db2.gz	MHTREIHYARNRFW-UHFFFAOYSA-N	0	0	438.528	6.086	50	30		IKEARN
COc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O	ZINC000252621153	569201630	/nfs/dbraw/zinc/20/16/30/569201630.db2.gz	MTZVPOYKYSIUND-ZRAGWZJNSA-N	0	0	448.975	6.774	50	30		IKEARN
COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000252620931	569201652	/nfs/dbraw/zinc/20/16/52/569201652.db2.gz	MPKUGXXCDXKNSL-ARKVWGHASA-N	0	0	430.529	5.826	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1	ZINC000252621706	569201771	/nfs/dbraw/zinc/20/17/71/569201771.db2.gz	NFCGDKANQDHJRW-PYYWQZPNSA-N	0	0	449.373	6.253	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1	ZINC000252621707	569201774	/nfs/dbraw/zinc/20/17/74/569201774.db2.gz	NFCGDKANQDHJRW-XOLKAKTPSA-N	0	0	449.373	6.253	50	30		IKEARN
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1C=NN(c1ccccc1)c1ccccc1	ZINC000252622614	569201864	/nfs/dbraw/zinc/20/18/64/569201864.db2.gz	NZEQKBVZJTZYTG-UHFFFAOYSA-N	0	0	427.504	5.916	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1	ZINC000252622139	569201927	/nfs/dbraw/zinc/20/19/27/569201927.db2.gz	NPPZODLAYACBGU-UHFFFAOYSA-N	0	0	448.548	5.217	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252622932	569202032	/nfs/dbraw/zinc/20/20/32/569202032.db2.gz	OGDLPSCUKHXIFJ-SBEYKLCGSA-N	0	0	442.584	6.629	50	30		IKEARN
O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccc(N=Cc2cccc(O)c2)cc1	ZINC000252623922	569202468	/nfs/dbraw/zinc/20/24/68/569202468.db2.gz	PCGUWBRHDCFUJW-UHFFFAOYSA-N	0	0	427.504	5.021	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1C=NNc1nc(-c2cc3ccccc3oc2=O)cs1	ZINC000252624376	569202612	/nfs/dbraw/zinc/20/26/12/569202612.db2.gz	PMVJDQLSLSKLIK-UHFFFAOYSA-N	0	0	446.315	5.678	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(C=Nc3ccccc3-c3nc4ccccc4s3)cc2)cc1	ZINC000252624272	569202646	/nfs/dbraw/zinc/20/26/46/569202646.db2.gz	PKMWEESBDJNQFX-UHFFFAOYSA-N	0	0	448.547	7.306	50	30		IKEARN
Brc1cccc(-c2nc3cc(N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1	ZINC000252624252	569202666	/nfs/dbraw/zinc/20/26/66/569202666.db2.gz	PKDUHMHSMTVTIK-MMFJBHRBSA-N	0	0	447.288	6.402	50	30		IKEARN
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1	ZINC000252624474	569202804	/nfs/dbraw/zinc/20/28/04/569202804.db2.gz	POLQYPVNZHMTEU-QHCPKHFHSA-N	0	0	443.572	5.464	50	30		IKEARN
CCOc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12	ZINC000252626123	569203189	/nfs/dbraw/zinc/20/31/89/569203189.db2.gz	QXBDYDYTACEPOV-CMEWOCMCSA-N	0	0	432.545	5.489	50	30		IKEARN
Cc1ccc(/C=C2/SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1	ZINC000252625634	569203199	/nfs/dbraw/zinc/20/31/99/569203199.db2.gz	QOFSONJZHICVCA-CCFCEYMNSA-N	0	0	432.614	7.099	50	30		IKEARN
Cc1ccc([C@@]2(C(F)(F)F)NC(=S)N(c3ccccc3)C(=Nc3ccccc3)O2)cc1	ZINC000252626580	569203367	/nfs/dbraw/zinc/20/33/67/569203367.db2.gz	RBRWXIOFTJHVEM-JOCHJYFZSA-N	0	0	441.478	5.809	50	30		IKEARN
COc1cccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000252626585	569203412	/nfs/dbraw/zinc/20/34/12/569203412.db2.gz	RBRZIZZMGSUBAI-MLSYBWHESA-N	0	0	444.556	6.129	50	30		IKEARN
COc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2)N(C2CCCCC2)C1=O	ZINC000252627389	569203507	/nfs/dbraw/zinc/20/35/07/569203507.db2.gz	RTFKJFICWLAVQA-OFGWUVNBSA-N	0	0	442.584	6.785	50	30		IKEARN
Clc1ccc(C=Nc2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c(Cl)c1	ZINC000252627377	569203557	/nfs/dbraw/zinc/20/35/57/569203557.db2.gz	RSYYKYVSEDRBCR-UHFFFAOYSA-N	0	0	435.141	7.366	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1	ZINC000252628269	569203652	/nfs/dbraw/zinc/20/36/52/569203652.db2.gz	SMEIBFKIOWIDLV-ARKVWGHASA-N	0	0	434.561	5.914	50	30		IKEARN
CCOC(=O)c1c2c(sc1N=Cc1ccc(-c3cccc(Cl)c3Cl)o1)CCCC2	ZINC000252628047	569203661	/nfs/dbraw/zinc/20/36/61/569203661.db2.gz	SHDDNQZAXJKIKO-UHFFFAOYSA-N	0	0	448.371	7.121	50	30		IKEARN
Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2	ZINC000252628667	569203786	/nfs/dbraw/zinc/20/37/86/569203786.db2.gz	SVHWGRXZNDGIFN-GOSISDBHSA-N	0	0	440.657	5.754	50	30		IKEARN
CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OC)c1	ZINC000252629601	569203931	/nfs/dbraw/zinc/20/39/31/569203931.db2.gz	UJUOMSBOBXQIEM-IBORXNHRSA-N	0	0	439.581	5.174	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1	ZINC000252630666	569204105	/nfs/dbraw/zinc/20/41/05/569204105.db2.gz	VCUUGNMDCWTESF-ZRAGWZJNSA-N	0	0	448.519	5.647	50	30		IKEARN
Cc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1C	ZINC000252632240	569204824	/nfs/dbraw/zinc/20/48/24/569204824.db2.gz	VRFOJGVOSGWCFI-PMERELPUSA-N	0	0	429.567	7.410	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc21	ZINC000252632016	569204846	/nfs/dbraw/zinc/20/48/46/569204846.db2.gz	VOFBKTRGDNDUCS-JOCHJYFZSA-N	0	0	429.545	5.295	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000252632067	569204853	/nfs/dbraw/zinc/20/48/53/569204853.db2.gz	VPPYNVKVOBODLN-DNKROPNVSA-N	0	0	427.573	6.178	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(I)cc2)SC1=Nc1ccccc1	ZINC000252633847	569206027	/nfs/dbraw/zinc/20/60/27/569206027.db2.gz	WHFMYQWZAVJVBL-FZECDQFNSA-N	0	0	446.313	5.081	50	30		IKEARN
CCCCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1	ZINC000252635663	569207921	/nfs/dbraw/zinc/20/79/21/569207921.db2.gz	WZCYQMKGKHOEPA-CUCKYGFWSA-N	0	0	425.579	5.469	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c1O	ZINC000252636566	569208139	/nfs/dbraw/zinc/20/81/39/569208139.db2.gz	XKHOMWKYBJAXMY-UHFFFAOYSA-N	0	0	439.309	5.475	50	30		IKEARN
CCCCc1ccc(N=C2C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1	ZINC000252636151	569208141	/nfs/dbraw/zinc/20/81/41/569208141.db2.gz	XFHRUCDNXCSWNQ-UHFFFAOYSA-N	0	0	436.599	7.685	50	30		IKEARN
C(=NN=c1cc(N2CCCC2)[nH]c(N2CCCC2)n1)c1c2ccccc2cc2ccccc21	ZINC000252640251	569208521	/nfs/dbraw/zinc/20/85/21/569208521.db2.gz	YSAXLRRQBDQJRM-UHFFFAOYSA-N	0	0	436.563	5.429	50	30		IKEARN
CN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1	ZINC000252641995	569209450	/nfs/dbraw/zinc/20/94/50/569209450.db2.gz	ZHUTWQVIPWXUAC-CSFSZXLXSA-N	0	0	445.569	6.083	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252642720	569209496	/nfs/dbraw/zinc/20/94/96/569209496.db2.gz	ZOXAJRNZBHQPAZ-OFGWUVNBSA-N	0	0	440.568	6.677	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc21	ZINC000002233668	569210818	/nfs/dbraw/zinc/21/08/18/569210818.db2.gz	IMKCLEUPKFBIRI-UHFFFAOYSA-N	0	0	432.524	5.292	50	30		IKEARN
Cc1ccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c(C)c1	ZINC000003081534	569213135	/nfs/dbraw/zinc/21/31/35/569213135.db2.gz	XZGMOMHNRZQCNW-JQUAZWMLSA-N	0	0	434.333	6.435	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(Cl)c1	ZINC000003113172	569213231	/nfs/dbraw/zinc/21/32/31/569213231.db2.gz	VWMGPUMGLYXDFB-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Br	ZINC000003202780	569213273	/nfs/dbraw/zinc/21/32/73/569213273.db2.gz	VSMHVIQWDWYILH-HXUWFJFHSA-N	0	0	446.385	5.396	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1	ZINC000002244523	569213857	/nfs/dbraw/zinc/21/38/57/569213857.db2.gz	MVXKXIHANMCASH-JOCHJYFZSA-N	0	0	444.874	5.156	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1	ZINC000002244521	569213888	/nfs/dbraw/zinc/21/38/88/569213888.db2.gz	MVXKXIHANMCASH-QFIPXVFZSA-N	0	0	444.874	5.156	50	30		IKEARN
Cc1ccccc1NC1=NC(=S)N(c2cccc(Cl)c2)C12CCC(C(C)(C)C)CC2	ZINC000027471917	569213944	/nfs/dbraw/zinc/21/39/44/569213944.db2.gz	KMKUMTGWZWSLBA-UHFFFAOYSA-N	0	0	440.056	7.048	50	30		IKEARN
CCCCCCCCn1c2nc3ccccc3nc2c2c1nc(C)n(C1CCCC1)c2=O	ZINC000002246934	569214491	/nfs/dbraw/zinc/21/44/91/569214491.db2.gz	OMTNDUTWNVSQMM-UHFFFAOYSA-N	0	0	431.584	6.078	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1	ZINC000002248798	569214773	/nfs/dbraw/zinc/21/47/73/569214773.db2.gz	MBEVVNJRKJPSEU-JAIQZWGSSA-N	0	0	443.355	6.762	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccc(Br)cc2)cc1	ZINC000002260158	569215164	/nfs/dbraw/zinc/21/51/64/569215164.db2.gz	RPFZJXLUJIFQGY-UHFFFAOYSA-N	0	0	448.349	5.256	50	30		IKEARN
Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCCC4)cc1	ZINC000002258471	569215256	/nfs/dbraw/zinc/21/52/56/569215256.db2.gz	UIUYURTYOATAQH-UHFFFAOYSA-N	0	0	443.597	5.798	50	30		IKEARN
N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CCC4)cc1	ZINC000002260438	569215616	/nfs/dbraw/zinc/21/56/16/569215616.db2.gz	DWTZAFBWMOFVEK-UHFFFAOYSA-N	0	0	449.988	5.753	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002266982	569216364	/nfs/dbraw/zinc/21/63/64/569216364.db2.gz	RPLALAOIZYUTQC-UHFFFAOYSA-N	0	0	428.601	6.326	50	30	biogenic	IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000002255637	569216756	/nfs/dbraw/zinc/21/67/56/569216756.db2.gz	DWOIAUIMPXLSLC-PMERELPUSA-N	0	0	429.563	7.816	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ccccc3c12	ZINC000002273401	569217793	/nfs/dbraw/zinc/21/77/93/569217793.db2.gz	NWSONGAQAWTJGO-PMERELPUSA-N	0	0	431.535	7.092	50	30		IKEARN
CCCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3	ZINC000002277083	569217872	/nfs/dbraw/zinc/21/78/72/569217872.db2.gz	XDSGSDSFUSKQMN-UHFFFAOYSA-N	0	0	437.609	5.695	50	30		IKEARN
N#Cc1c2c(sc1/N=c1\oc3ccccc3cc1C(=O)Nc1ccc(F)cc1)CCCC2	ZINC000027520359	569218034	/nfs/dbraw/zinc/21/80/34/569218034.db2.gz	AQNVJVRGELHBHW-OLFWJLLRSA-N	0	0	443.503	5.869	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000027519510	569218114	/nfs/dbraw/zinc/21/81/14/569218114.db2.gz	FHXJVWVBTMCULZ-STZFKDTASA-N	0	0	431.473	5.065	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000004350027	569256637	/nfs/dbraw/zinc/25/66/37/569256637.db2.gz	IKAYYSYGCHKPAB-RLYIJJBNSA-N	0	0	443.716	6.987	50	30		IKEARN
O=C(Nc1ccccc1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2	ZINC000103601851	569262292	/nfs/dbraw/zinc/26/22/92/569262292.db2.gz	BKKRLVHCZBNMPL-VULFUBBASA-N	0	0	426.488	6.231	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000257347668	569263102	/nfs/dbraw/zinc/26/31/02/569263102.db2.gz	PMBSWZWCNKVWLV-CJVNXMJMSA-N	0	0	442.684	7.139	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]12C	ZINC000257347874	569263243	/nfs/dbraw/zinc/26/32/43/569263243.db2.gz	XRLBQELEYBVDHJ-ADFPIKBVSA-N	0	0	444.612	5.265	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cc(Cl)c(Cl)cc1Cl	ZINC000017729716	569263939	/nfs/dbraw/zinc/26/39/39/569263939.db2.gz	XGMFVOLXRUHPNU-UHFFFAOYSA-N	0	0	429.738	6.934	50	30		IKEARN
COc1cc(C=NN2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1	ZINC000238937452	569268688	/nfs/dbraw/zinc/26/86/88/569268688.db2.gz	VNDRUXQCBKDZQX-UHFFFAOYSA-N	0	0	449.982	5.079	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2c3ccccc3cc3ccccc32)cc1	ZINC000239025278	569268698	/nfs/dbraw/zinc/26/86/98/569268698.db2.gz	BIQMPKOUVFGZMK-UHFFFAOYSA-N	0	0	436.584	6.720	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)sc1=Nc1ccc(OCC)cc1	ZINC000244773931	569269255	/nfs/dbraw/zinc/26/92/55/569269255.db2.gz	PIWVVAJPRBWCKN-UHFFFAOYSA-N	0	0	445.544	5.879	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2	ZINC000245226588	569269448	/nfs/dbraw/zinc/26/94/48/569269448.db2.gz	FFPWFNSTHNZZLR-LOODEUFTSA-N	0	0	448.636	6.356	50	30	biogenic	IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3CC[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21	ZINC000248114366	569270347	/nfs/dbraw/zinc/27/03/47/569270347.db2.gz	ZJUABQDERHSYQM-RTJMFUJLSA-N	0	0	440.605	5.634	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O	ZINC000252467473	569271258	/nfs/dbraw/zinc/27/12/58/569271258.db2.gz	NDZYXAXWOZOQAQ-QNIXWYMOSA-N	0	0	434.624	5.884	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000027547167	569271318	/nfs/dbraw/zinc/27/13/18/569271318.db2.gz	IMHRVJQTZDTWAW-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000027547202	569271335	/nfs/dbraw/zinc/27/13/35/569271335.db2.gz	VRJMMVCEVLBWOQ-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
Cc1cc(Cl)c(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(Cl)c1	ZINC000002306794	569271791	/nfs/dbraw/zinc/27/17/91/569271791.db2.gz	TZWGFLJJIXSACP-ZMOGYAJESA-N	0	0	449.359	5.193	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O	ZINC000252628824	569272036	/nfs/dbraw/zinc/27/20/36/569272036.db2.gz	SYSLHZGKUNLUIS-ARSUIZBYSA-N	0	0	442.968	5.522	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3	ZINC000002318226	569272566	/nfs/dbraw/zinc/27/25/66/569272566.db2.gz	XSSHVKXHRXHXKQ-QGZVFWFLSA-N	0	0	438.662	6.575	50	30		IKEARN
N#Cc1nc(C(c2ccccc2)c2ccccc2)oc1N1CCN(c2ccc(F)cc2)CC1	ZINC000027562270	569272573	/nfs/dbraw/zinc/27/25/73/569272573.db2.gz	HHQKEFVOSYUGJJ-UHFFFAOYSA-N	0	0	438.506	5.192	50	30		IKEARN
CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000253498264	569272868	/nfs/dbraw/zinc/27/28/68/569272868.db2.gz	AHBKIEXBQNRDNL-BALJLQBRSA-N	0	0	448.603	5.744	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O	ZINC000253531309	569272990	/nfs/dbraw/zinc/27/29/90/569272990.db2.gz	NDZYXAXWOZOQAQ-SMJCXGKWSA-N	0	0	434.624	5.884	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1	ZINC000253505643	569273038	/nfs/dbraw/zinc/27/30/38/569273038.db2.gz	VOETZVYTDQTIBX-KXJXYGFHSA-N	0	0	446.588	5.239	50	30	biogenic	IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12	ZINC000253614947	569273405	/nfs/dbraw/zinc/27/34/05/569273405.db2.gz	MQYXUWHLBZFQQO-RDHHTWSDSA-N	0	0	426.729	8.025	50	30	in-vitro	IKEARN
Clc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(Cl)cc4)cc3)cc2)cc1	ZINC000254405269	569273828	/nfs/dbraw/zinc/27/38/28/569273828.db2.gz	ZFQPOMJPQNFCKO-UHFFFAOYSA-N	0	0	445.349	8.287	50	30		IKEARN
CCOc1ccccc1N=C1SC[C@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21	ZINC000254814773	569273939	/nfs/dbraw/zinc/27/39/39/569273939.db2.gz	MTQXMUIZZNAIMP-KRWDZBQOSA-N	0	0	444.556	5.975	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n([C@H](C)c2ccccc2)c2nc3ccccc3nc12	ZINC000002334895	569274689	/nfs/dbraw/zinc/27/46/89/569274689.db2.gz	VAKSSZJZCBSMCS-GOSISDBHSA-N	0	0	430.552	5.903	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4ccccc4c3Cl)sc2C1	ZINC000002344069	569275327	/nfs/dbraw/zinc/27/53/27/569275327.db2.gz	JWWCACHAGZHTNP-SNVBAGLBSA-N	0	0	446.022	5.739	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]23C)cc1	ZINC000257346690	569279906	/nfs/dbraw/zinc/27/99/06/569279906.db2.gz	KNJVWAVLNHNHKV-ZIYCWJKGSA-N	0	0	430.654	6.502	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257348493	569280184	/nfs/dbraw/zinc/28/01/84/569280184.db2.gz	GCRIWPLHBVKSPY-KFCWQGMRSA-N	0	0	444.612	5.265	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257349270	569280396	/nfs/dbraw/zinc/28/03/96/569280396.db2.gz	MXIKNOBYVNLDDR-RHQYYJBRSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257349273	569280401	/nfs/dbraw/zinc/28/04/01/569280401.db2.gz	MXIKNOBYVNLDDR-YNWXXKOKSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)[C@H]6O[C@H]6C(=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12	ZINC000257350249	569280546	/nfs/dbraw/zinc/28/05/46/569280546.db2.gz	VXMOMCPHHMOJSD-CUHHPFSCSA-N	0	0	440.712	7.300	50	30		IKEARN
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]12	ZINC000257350251	569280553	/nfs/dbraw/zinc/28/05/53/569280553.db2.gz	VXMOMCPHHMOJSD-QRLBPNHNSA-N	0	0	440.712	7.300	50	30		IKEARN
CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@H]3CC[C@]21C	ZINC000257350121	569280558	/nfs/dbraw/zinc/28/05/58/569280558.db2.gz	UXGWFWJQNSRBBQ-HJYXIWIOSA-N	0	0	426.685	7.895	50	30		IKEARN
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]12	ZINC000257350250	569280565	/nfs/dbraw/zinc/28/05/65/569280565.db2.gz	VXMOMCPHHMOJSD-CUIZDHDASA-N	0	0	440.712	7.300	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]23C)cc1	ZINC000257350202	569280574	/nfs/dbraw/zinc/28/05/74/569280574.db2.gz	VOPZSPZAIPUPAF-CRMXZAKTSA-N	0	0	444.637	5.681	50	30		IKEARN
CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@H]3CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1	ZINC000257350340	569280648	/nfs/dbraw/zinc/28/06/48/569280648.db2.gz	WKPPTKDUKHFXEE-OGAQMIMUSA-N	0	0	428.701	7.276	50	30		IKEARN
C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C	ZINC000257355464	569280743	/nfs/dbraw/zinc/28/07/43/569280743.db2.gz	AUXKMQHVEKOAFZ-YEEPMTPTSA-N	0	0	440.700	5.425	50	30		IKEARN
CCCC1(c2c(F)c(F)c(C(F)(F)F)c(F)c2F)C(=O)OC2(CCCCC2)OC1=O	ZINC000257354954	569280771	/nfs/dbraw/zinc/28/07/71/569280771.db2.gz	GQONRLKFRLHMSB-UHFFFAOYSA-N	0	0	442.327	5.060	50	30		IKEARN
C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O	ZINC000257357609	569280859	/nfs/dbraw/zinc/28/08/59/569280859.db2.gz	PBCULPOTNCGYFY-JBUIQZJLSA-N	0	0	442.596	5.328	50	30		IKEARN
CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C	ZINC000257357204	569280894	/nfs/dbraw/zinc/28/08/94/569280894.db2.gz	MREOZLCREPXSCQ-OOQVWVMQSA-N	0	0	429.604	5.407	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@]21C	ZINC000257358969	569280933	/nfs/dbraw/zinc/28/09/33/569280933.db2.gz	XRLBQELEYBVDHJ-DIOBBKKZSA-N	0	0	444.612	5.265	50	30		IKEARN
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257358208	569281001	/nfs/dbraw/zinc/28/10/01/569281001.db2.gz	SDPXLBMMNBJQCT-IMFLAHHJSA-N	0	0	449.635	5.201	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O	ZINC000002347938	569281047	/nfs/dbraw/zinc/28/10/47/569281047.db2.gz	CDXXXPXFENUARQ-BQYFSVDLSA-N	0	0	433.552	6.003	50	30		IKEARN
O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccc(Cl)cc2)c1	ZINC000263639765	569282431	/nfs/dbraw/zinc/28/24/31/569282431.db2.gz	IAJBIAKAIMQPBU-BRJLIKDPSA-N	0	0	441.837	5.578	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000253497755	569283269	/nfs/dbraw/zinc/28/32/69/569283269.db2.gz	ANTLLZHQDMIOLB-SWOQURJZSA-N	0	0	447.446	6.959	50	30	biogenic	IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000253497860	569283280	/nfs/dbraw/zinc/28/32/80/569283280.db2.gz	UELTYJDTQILMTO-FDXZEAEASA-N	0	0	446.553	6.671	50	30		IKEARN
CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C	ZINC000253498918	569283284	/nfs/dbraw/zinc/28/32/84/569283284.db2.gz	AYNSZTKDERUHKJ-VJVIHOGHSA-N	0	0	431.620	5.198	50	30	biogenic	IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O	ZINC000253499676	569283296	/nfs/dbraw/zinc/28/32/96/569283296.db2.gz	OMJIZRMQBBHMOY-KLMFZDCXSA-N	0	0	441.453	7.444	50	30	biogenic	IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F	ZINC000253528838	569283804	/nfs/dbraw/zinc/28/38/04/569283804.db2.gz	FHIHDASURXFVSB-XGHQDHGPSA-N	0	0	444.585	7.913	50	30		IKEARN
C=C(C)[C@@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12	ZINC000253531386	569283881	/nfs/dbraw/zinc/28/38/81/569283881.db2.gz	IIMYCYVBVMITJJ-LYZQDOKNSA-N	0	0	425.657	6.062	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000253530453	569283962	/nfs/dbraw/zinc/28/39/62/569283962.db2.gz	FELCJAPFJOPHSD-MEBXIWODSA-N	0	0	440.712	7.204	50	30	biogenic	IKEARN
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1	ZINC000000662165	569284866	/nfs/dbraw/zinc/28/48/66/569284866.db2.gz	OKACLCPARSTMFC-UHFFFAOYSA-N	0	0	443.450	5.378	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc(OCC)c1OCC	ZINC000000655518	569284888	/nfs/dbraw/zinc/28/48/88/569284888.db2.gz	ICSJIABNFIJZDY-AWEZNQCLSA-N	0	0	428.554	5.193	50	30		IKEARN
C[C@H](NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N)c1ccccc1	ZINC000000658692	569284924	/nfs/dbraw/zinc/28/49/24/569284924.db2.gz	TWYXZUGWLLZXOA-ZDUSSCGKSA-N	0	0	447.507	5.670	50	30		IKEARN
CC1(C)Cc2nc(SCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c2C(=O)C1	ZINC000000630355	569284951	/nfs/dbraw/zinc/28/49/51/569284951.db2.gz	IOXKJKGZCCZRES-UHFFFAOYSA-N	0	0	426.541	5.750	50	30		IKEARN
CCc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000000632480	569284957	/nfs/dbraw/zinc/28/49/57/569284957.db2.gz	DJYHEFRLZBDEPN-UHFFFAOYSA-N	0	0	444.926	5.408	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)cc1	ZINC000000714347	569285062	/nfs/dbraw/zinc/28/50/62/569285062.db2.gz	WJBYJRAVQUVWIX-UHFFFAOYSA-N	0	0	435.574	5.300	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OCC)CCc1ccccc1-3	ZINC000002372583	569289237	/nfs/dbraw/zinc/28/92/37/569289237.db2.gz	NFSSFHCYKUPWAF-UHFFFAOYSA-N	0	0	446.597	5.890	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3C#N)c2C#N)cc1	ZINC000008425533	569289712	/nfs/dbraw/zinc/28/97/12/569289712.db2.gz	NBVJBJGRBZSWQY-UHFFFAOYSA-N	0	0	433.536	6.460	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1	ZINC000008445819	569289771	/nfs/dbraw/zinc/28/97/71/569289771.db2.gz	ZTGDFZYDZGVDIW-UHFFFAOYSA-N	0	0	426.972	7.541	50	30		IKEARN
CS[C@@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008443532	569289813	/nfs/dbraw/zinc/28/98/13/569289813.db2.gz	QIDCGABYEHXGCU-AOYPEHQESA-N	0	0	446.641	6.416	50	30		IKEARN
Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCC3	ZINC000008453864	569289931	/nfs/dbraw/zinc/28/99/31/569289931.db2.gz	JJJCTWMABDWKEX-UHFFFAOYSA-N	0	0	428.333	6.124	50	30		IKEARN
CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@H]21	ZINC000008454386	569289951	/nfs/dbraw/zinc/28/99/51/569289951.db2.gz	DVJCYWWUKJRSJW-WLJAXQAKSA-N	0	0	444.600	6.200	50	30		IKEARN
CC(C)=C1[C@@H]2CC[C@H]1[C@@H]1C(=O)N(c3sc(C)c(-c4ccc(C(C)C)cc4)c3C#N)C(=O)[C@@H]21	ZINC000008454387	569289984	/nfs/dbraw/zinc/28/99/84/569289984.db2.gz	DVJCYWWUKJRSJW-PLWWPAAYSA-N	0	0	444.600	6.200	50	30		IKEARN
N#CC1(C#N)[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000008873564	569291682	/nfs/dbraw/zinc/29/16/82/569291682.db2.gz	YLXSTDGPKWLPCS-HOTGVXAUSA-N	0	0	435.108	5.142	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1	ZINC000002380451	569291703	/nfs/dbraw/zinc/29/17/03/569291703.db2.gz	ZBSSXSFLXRTPFG-HSZRJFAPSA-N	0	0	427.456	5.005	50	30		IKEARN
N#Cc1c(/C=C/c2ccccc2F)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2	ZINC000008873674	569291761	/nfs/dbraw/zinc/29/17/61/569291761.db2.gz	ZNUCKXWUCRGMHX-PKNBQFBNSA-N	0	0	446.437	5.870	50	30		IKEARN
N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1Sc1ccc(Br)cc1	ZINC000008873862	569291771	/nfs/dbraw/zinc/29/17/71/569291771.db2.gz	RTOVDEDQDNXLPZ-UHFFFAOYSA-N	0	0	435.268	6.553	50	30		IKEARN
COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888217	569291894	/nfs/dbraw/zinc/29/18/94/569291894.db2.gz	NSHLIMBWNHJGRP-MELLPFMNSA-N	0	0	441.861	5.992	50	30		IKEARN
C/C(=N\OCc1ccc(Cl)cc1)C(Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1	ZINC000008925728	569292454	/nfs/dbraw/zinc/29/24/54/569292454.db2.gz	PPCILYFNQNVAEI-RWPZCVJISA-N	0	0	448.781	6.431	50	30		IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1NCCc1ccc(OC)c(OC)c1	ZINC000009008931	569292858	/nfs/dbraw/zinc/29/28/58/569292858.db2.gz	SXEVFMVPVOXNKA-UHFFFAOYSA-N	0	0	442.563	5.682	50	30		IKEARN
CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccc(C#N)cc1	ZINC000009095786	569293641	/nfs/dbraw/zinc/29/36/41/569293641.db2.gz	RHLWSVYUPLMXDL-UHFFFAOYSA-N	0	0	442.544	5.185	50	30		IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Br)cc1	ZINC000009086162	569293694	/nfs/dbraw/zinc/29/36/94/569293694.db2.gz	UDSWMTLCRITWHE-UHFFFAOYSA-N	0	0	433.353	6.516	50	30		IKEARN
N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000009226942	569294555	/nfs/dbraw/zinc/29/45/55/569294555.db2.gz	MDBQULVXILALOA-NRFANRHFSA-N	0	0	447.494	5.477	50	30		IKEARN
CCOc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C#N	ZINC000009311623	569295195	/nfs/dbraw/zinc/29/51/95/569295195.db2.gz	LSVYXRZLQYOFKS-ZVHZXABRSA-N	0	0	437.495	5.826	50	30		IKEARN
C[C@@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1	ZINC000009526161	569297170	/nfs/dbraw/zinc/29/71/70/569297170.db2.gz	TZQHIAKUWMGMEL-GOSISDBHSA-N	0	0	440.528	5.254	50	30		IKEARN
N#Cc1c(NC(=O)c2cc(I)ccc2Cl)sc2c1CCCC2	ZINC000009553628	569297205	/nfs/dbraw/zinc/29/72/05/569297205.db2.gz	VWLMXCNKSVPEOJ-UHFFFAOYSA-N	0	0	442.709	5.009	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc21	ZINC000002391119	569297682	/nfs/dbraw/zinc/29/76/82/569297682.db2.gz	SASRTEMTTLUYIA-UHFFFAOYSA-N	0	0	446.507	5.012	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)C1CCCCC1	ZINC000002405576	569300152	/nfs/dbraw/zinc/30/01/52/569300152.db2.gz	AUTSBAJUYOZATP-NDENLUEZSA-N	0	0	427.294	5.551	50	30		IKEARN
CCOC(=O)c1ccc(C[C@@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000002410644	569300810	/nfs/dbraw/zinc/30/08/10/569300810.db2.gz	NCQDISQJHZPPLB-PSCYQSDVSA-N	0	0	430.529	5.242	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccccc2)c1=O	ZINC000002420901	569302025	/nfs/dbraw/zinc/30/20/25/569302025.db2.gz	UZAZPBNLZBDLQQ-UHFFFAOYSA-N	0	0	439.563	5.622	50	30		IKEARN
Cc1ccc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)cc1C	ZINC000002422089	569302149	/nfs/dbraw/zinc/30/21/49/569302149.db2.gz	JVNIMISSLCTYON-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(F)cc1	ZINC000002423517	569302185	/nfs/dbraw/zinc/30/21/85/569302185.db2.gz	ASRLMKKVXIYNAT-JJFYIABZSA-N	0	0	426.802	5.496	50	30		IKEARN
COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1	ZINC000080324778	569303007	/nfs/dbraw/zinc/30/30/07/569303007.db2.gz	DOFKCSOVVDYOFQ-ISKFKSNPSA-N	0	0	446.348	5.552	50	30		IKEARN
COc1cc(C(=O)Oc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc(OC)c1OC	ZINC000011868049	569303084	/nfs/dbraw/zinc/30/30/84/569303084.db2.gz	ZSEHRJAFDSMNJB-NTEUORMPSA-N	0	0	432.472	5.136	50	30		IKEARN
CCOc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O	ZINC000011869312	569303120	/nfs/dbraw/zinc/30/31/20/569303120.db2.gz	JWZJAEWAIXGUFI-FMCGGJTJSA-N	0	0	441.310	6.587	50	30		IKEARN
O=C(/C=C/c1cccs1)c1cc(Br)ccc1OC(=O)c1ccc(F)cc1	ZINC000011867662	569303141	/nfs/dbraw/zinc/30/31/41/569303141.db2.gz	XXYCLQLOGZYENR-CMDGGOBGSA-N	0	0	431.282	5.765	50	30		IKEARN
CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCc1ccccc1	ZINC000011990460	569303459	/nfs/dbraw/zinc/30/34/59/569303459.db2.gz	CWYGGVVOXBCACQ-JVWAILMASA-N	0	0	444.560	5.430	50	30		IKEARN
COC(=O)c1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1	ZINC000002436284	569303811	/nfs/dbraw/zinc/30/38/11/569303811.db2.gz	LZINUTKQGSDHOE-FMCGGJTJSA-N	0	0	448.858	5.005	50	30		IKEARN
CC(C)c1ccc(/C=N/n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1	ZINC000002438774	569303963	/nfs/dbraw/zinc/30/39/63/569303963.db2.gz	YFKBDSSHODDVQX-MUFRIFMGSA-N	0	0	448.530	5.425	50	30		IKEARN
COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(OC)c2)cc1	ZINC000002442239	569304156	/nfs/dbraw/zinc/30/41/56/569304156.db2.gz	YZMHUJLYEPBXBQ-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
O=c1c2c3nc4ccccc4nc3n(/N=C/c3ccccc3)c2ncn1CCC1=CCCCC1	ZINC000002449042	569304676	/nfs/dbraw/zinc/30/46/76/569304676.db2.gz	KJFWCRIYVVBGFW-STBIYBPSSA-N	0	0	448.530	5.067	50	30		IKEARN
COc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1	ZINC000012952333	569305211	/nfs/dbraw/zinc/30/52/11/569305211.db2.gz	NULPBHCJUKOVDF-LJAQVGFWSA-N	0	0	445.327	5.293	50	30		IKEARN
N#Cc1ccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)cc1	ZINC000012978122	569305689	/nfs/dbraw/zinc/30/56/89/569305689.db2.gz	ANGPVBZSOTZICL-UHFFFAOYSA-N	0	0	446.601	5.092	50	30		IKEARN
N#Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1	ZINC000013071097	569308990	/nfs/dbraw/zinc/30/89/90/569308990.db2.gz	TYERXZCUZGYGAL-AREMUKBSSA-N	0	0	431.495	5.468	50	30		IKEARN
CCc1cc(SCc2c(F)c(F)c(F)c(F)c2F)n2c3ccccc3nc2c1C#N	ZINC000013098504	569309697	/nfs/dbraw/zinc/30/96/97/569309697.db2.gz	BEMBBNWXMJJMLX-UHFFFAOYSA-N	0	0	433.405	5.909	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(C3CC3)n2C2CC2)c1C#N	ZINC000013116884	569310147	/nfs/dbraw/zinc/31/01/47/569310147.db2.gz	CNOOHCKNLJLFTL-UHFFFAOYSA-N	0	0	438.601	5.016	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(c1-c1ccco1)CCCC2	ZINC000013117869	569310935	/nfs/dbraw/zinc/31/09/35/569310935.db2.gz	FZWCZZJFNWEZOL-UHFFFAOYSA-N	0	0	441.915	5.615	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCCc3ccccc32)c1	ZINC000013130043	569311242	/nfs/dbraw/zinc/31/12/42/569311242.db2.gz	CZNOAZKYQSRTBM-QHCPKHFHSA-N	0	0	441.556	5.096	50	30		IKEARN
COc1cc(/C=C/c2cc(-c3ccccc3)n3c4ccccc4nc3c2C#N)cc(OC)c1	ZINC000013134258	569311372	/nfs/dbraw/zinc/31/13/72/569311372.db2.gz	UILJSONZIPIMSH-OUKQBFOZSA-N	0	0	431.495	6.214	50	30		IKEARN
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000070665479	569315164	/nfs/dbraw/zinc/31/51/64/569315164.db2.gz	HDTQUHRXMVKWMI-LYHQETOBSA-N	0	0	442.728	8.638	50	30	biogenic	IKEARN
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCC3CCCCC3)c2C#N)cc1	ZINC000013382094	569315210	/nfs/dbraw/zinc/31/52/10/569315210.db2.gz	LFBIPYJILSEZLR-UHFFFAOYSA-N	0	0	428.601	7.277	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]12	ZINC000254397361	569316539	/nfs/dbraw/zinc/31/65/39/569316539.db2.gz	FVWJYYTZTCVBKE-DSNXNGCTSA-N	0	0	442.728	6.997	50	30		IKEARN
O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cccnc1Nc1cccc(F)c1	ZINC000328590594	569316825	/nfs/dbraw/zinc/31/68/25/569316825.db2.gz	FROYJRWEUZGPHL-UHFFFAOYSA-N	0	0	425.876	5.773	50	30		IKEARN
O=C(NCCCSc1ccccn1)[C@@H]1CCCN1C(=O)c1cc(Cl)cc(Cl)c1	ZINC000328591584	569317077	/nfs/dbraw/zinc/31/70/77/569317077.db2.gz	ZLJLEBJLGLYZCY-KRWDZBQOSA-N	0	0	438.380	5.132	50	30		IKEARN
CC(C)[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1	ZINC000328592494	569317191	/nfs/dbraw/zinc/31/71/91/569317191.db2.gz	YJLIOOYMVZHWAN-PKTZIBPZSA-N	0	0	448.494	5.078	50	30		IKEARN
CC(=O)c1cnc(NC(=O)c2ccccc2CC2CCN(C(=O)OC(C)(C)C)CC2)s1	ZINC000328593451	569317316	/nfs/dbraw/zinc/31/73/16/569317316.db2.gz	UCQJIVLXVPWYCN-UHFFFAOYSA-N	0	0	443.569	5.172	50	30		IKEARN
Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(Cl)c3S(=O)(=O)C(C)C)o2)cc1	ZINC000328595620	569317688	/nfs/dbraw/zinc/31/76/88/569317688.db2.gz	ZIBNIAPCOQZAQL-UHFFFAOYSA-N	0	0	446.956	5.706	50	30		IKEARN
CCOC(=O)c1cc(C(F)(F)F)sc1NC(=O)c1cc(F)ccc1Br	ZINC000328595052	569317722	/nfs/dbraw/zinc/31/77/22/569317722.db2.gz	JOIGKRNGHVJULK-UHFFFAOYSA-N	0	0	440.212	5.482	50	30		IKEARN
C[C@H](C1CC1)n1nccc1NC(=O)C(=O)Nc1ccccc1Oc1cc(F)cc(F)c1	ZINC000328596699	569318024	/nfs/dbraw/zinc/31/80/24/569318024.db2.gz	QKPPTHHBOPUPFY-CYBMUJFWSA-N	0	0	426.423	5.151	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21	ZINC000019817751	569329986	/nfs/dbraw/zinc/32/99/86/569329986.db2.gz	AYNMENWBYFWJAX-GSLIJJQTSA-N	0	0	437.449	5.375	50	30		IKEARN
CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCC(Cc3ccccc3)CC2)n1	ZINC000019820566	569330040	/nfs/dbraw/zinc/33/00/40/569330040.db2.gz	WGOITVQOKPYANV-UHFFFAOYSA-N	0	0	434.996	5.850	50	30		IKEARN
CSc1nc(NCc2ccc3c(c2)OCO3)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1	ZINC000019820387	569330082	/nfs/dbraw/zinc/33/00/82/569330082.db2.gz	INHSVNKWIKSVFT-UHFFFAOYSA-N	0	0	432.549	5.375	50	30		IKEARN
COc1ccc(OC)c(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c1	ZINC000019820328	569330108	/nfs/dbraw/zinc/33/01/08/569330108.db2.gz	DHECCTJIWJXHRF-UHFFFAOYSA-N	0	0	434.565	5.795	50	30		IKEARN
CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccc(C)cc1	ZINC000020033984	569332556	/nfs/dbraw/zinc/33/25/56/569332556.db2.gz	WRMSIYKMMAFMCP-RQZCQDPDSA-N	0	0	430.298	5.051	50	30		IKEARN
Oc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1	ZINC000020033368	569332567	/nfs/dbraw/zinc/33/25/67/569332567.db2.gz	BRGJIRDEULZHNL-RVLHIEJWSA-N	0	0	444.578	7.020	50	30		IKEARN
O=C1/C(=N\c2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1	ZINC000020034401	569332663	/nfs/dbraw/zinc/33/26/63/569332663.db2.gz	XANBXDZWZISNGF-WCTVFOPTSA-N	0	0	427.523	5.205	50	30		IKEARN
O=C(OCc1ccccc1)c1ccc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)cc1	ZINC000020058182	569332874	/nfs/dbraw/zinc/33/28/74/569332874.db2.gz	JGZCTYDEHJOFBN-ULJHMMPZSA-N	0	0	449.462	5.648	50	30		IKEARN
C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1	ZINC000020065608	569333172	/nfs/dbraw/zinc/33/31/72/569333172.db2.gz	FYGNZWIUSAWRQA-SXOMAYOGSA-N	0	0	439.555	5.041	50	30		IKEARN
CCC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1	ZINC000020115622	569335010	/nfs/dbraw/zinc/33/50/10/569335010.db2.gz	JFSGZAUVNZMMQS-WXUKJITCSA-N	0	0	449.368	8.154	50	30		IKEARN
CCC(C)(C)C1C/C(=C\c2ccc(SC)cc2)C(=O)/C(=C/c2ccc(SC)cc2)C1	ZINC000020115590	569335025	/nfs/dbraw/zinc/33/50/25/569335025.db2.gz	AHKZZBPKTFFBFI-YHARCJFQSA-N	0	0	436.686	8.013	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)c1	ZINC000020132803	569335451	/nfs/dbraw/zinc/33/54/51/569335451.db2.gz	UJJRRYWJSUUCRM-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)c1	ZINC000020132696	569335458	/nfs/dbraw/zinc/33/54/58/569335458.db2.gz	SSJORECSOJUPQB-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@H](c3cccs3)C12	ZINC000020134190	569335539	/nfs/dbraw/zinc/33/55/39/569335539.db2.gz	LRGBAIZHJAXDMZ-GOSISDBHSA-N	0	0	446.960	5.446	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1	ZINC000020134160	569335587	/nfs/dbraw/zinc/33/55/87/569335587.db2.gz	PFWHAJLRLJTNSM-HSZRJFAPSA-N	0	0	430.577	5.518	50	30		IKEARN
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000020134770	569335675	/nfs/dbraw/zinc/33/56/75/569335675.db2.gz	NCDROPGVNDBYAO-HXUWFJFHSA-N	0	0	428.492	5.494	50	30		IKEARN
Cc1ccc([C@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020134791	569335679	/nfs/dbraw/zinc/33/56/79/569335679.db2.gz	HPAJNZJCAJFVDT-HXUWFJFHSA-N	0	0	428.492	5.494	50	30		IKEARN
Cc1ccc([C@@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020134794	569335704	/nfs/dbraw/zinc/33/57/04/569335704.db2.gz	HPAJNZJCAJFVDT-FQEVSTJZSA-N	0	0	428.492	5.494	50	30		IKEARN
O=C1C(=Cc2c[nH]nc2-c2ccc(F)cc2)CSC1=Cc1c[nH]nc1-c1ccc(F)cc1	ZINC000020151921	569336504	/nfs/dbraw/zinc/33/65/04/569336504.db2.gz	JTEOEBVHCGDKMH-DOWYWXMCSA-N	0	0	446.482	5.485	50	30		IKEARN
C=CCSC1=N/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1c1ccc(OCC)cc1	ZINC000020152066	569336541	/nfs/dbraw/zinc/33/65/41/569336541.db2.gz	XLCMABIRQLBQIG-XMHGGMMESA-N	0	0	432.467	5.767	50	30		IKEARN
CCn1cc(CN(C)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C)n1	ZINC000020215339	569356662	/nfs/dbraw/zinc/35/66/62/569356662.db2.gz	RJXHFWUIUOYRMF-UHFFFAOYSA-N	0	0	438.384	5.362	50	30		IKEARN
CC(C)(C)c1ccc(NC(=O)c2sc3nc(N)c(C#N)c(-c4cccs4)c3c2N)cc1	ZINC000020358168	569361738	/nfs/dbraw/zinc/36/17/38/569361738.db2.gz	KVHCRMQVQIEOPK-UHFFFAOYSA-N	0	0	447.589	5.611	50	30		IKEARN
C=CCOc1cccc(-c2nc(C(=O)NCc3cccc(Oc4ccccc4)c3)cs2)c1	ZINC000096281620	569390023	/nfs/dbraw/zinc/39/00/23/569390023.db2.gz	HGBPCZVQCCNTKH-UHFFFAOYSA-N	0	0	442.540	6.097	50	30		IKEARN
N#CCCN(Cc1ccco1)C(=O)/C=C\c1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000096315706	569392770	/nfs/dbraw/zinc/39/27/70/569392770.db2.gz	AOOFRMRPQAWUIK-PFONDFGASA-N	0	0	436.515	5.147	50	30		IKEARN
CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S/C1=N/c1ccccc1	ZINC000096610573	569402245	/nfs/dbraw/zinc/40/22/45/569402245.db2.gz	PAJLDDXCQWORLE-UMUYUUQJSA-N	0	0	434.948	6.153	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1	ZINC000096767045	569402392	/nfs/dbraw/zinc/40/23/92/569402392.db2.gz	PPSZQGMYIBBZHA-TWGQIWQCSA-N	0	0	428.315	5.986	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(F)cc2)cc1OC	ZINC000028052543	569406775	/nfs/dbraw/zinc/40/67/75/569406775.db2.gz	IOCYXWBLZAIPPU-QMHKHESXSA-N	0	0	434.467	5.098	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2	ZINC000028052420	569406789	/nfs/dbraw/zinc/40/67/89/569406789.db2.gz	YMVQRNONNZPEBD-OSPHWJPCSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000028052172	569406793	/nfs/dbraw/zinc/40/67/93/569406793.db2.gz	PQEBVYHGFABDDH-MWTRTKDXSA-N	0	0	434.923	5.993	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC	ZINC000028052515	569406795	/nfs/dbraw/zinc/40/67/95/569406795.db2.gz	HUMNHWCCBPONDM-UUOWRZLLSA-N	0	0	430.504	5.267	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000028051612	569406817	/nfs/dbraw/zinc/40/68/17/569406817.db2.gz	HYLJVUKIDKABHT-IERDGZPVSA-N	0	0	435.321	5.704	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000028052541	569406831	/nfs/dbraw/zinc/40/68/31/569406831.db2.gz	IOCYXWBLZAIPPU-MWTRTKDXSA-N	0	0	434.467	5.098	50	30		IKEARN
COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)ccc1O	ZINC000028052263	569406849	/nfs/dbraw/zinc/40/68/49/569406849.db2.gz	LLRSHVCWDRHYSA-NYHFZMIOSA-N	0	0	436.895	5.309	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000028052178	569406863	/nfs/dbraw/zinc/40/68/63/569406863.db2.gz	PQEBVYHGFABDDH-QMHKHESXSA-N	0	0	434.923	5.993	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2)CC(C)C	ZINC000028182432	569408529	/nfs/dbraw/zinc/40/85/29/569408529.db2.gz	FTSBTGHEAVTOLG-ROTLSHHCSA-N	0	0	432.564	5.614	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21	ZINC000028182794	569408746	/nfs/dbraw/zinc/40/87/46/569408746.db2.gz	MMZUPYWJHZJXHG-DPKCJYKSSA-N	0	0	446.547	5.366	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C	ZINC000028182502	569408765	/nfs/dbraw/zinc/40/87/65/569408765.db2.gz	WMBXXIHDPVZAQM-ZMFRSBBQSA-N	0	0	439.511	5.999	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21	ZINC000028182576	569408783	/nfs/dbraw/zinc/40/87/83/569408783.db2.gz	VYMNHCMOLIBZQP-MXAYSNPKSA-N	0	0	429.903	6.510	50	30		IKEARN
COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1	ZINC000002616082	569410122	/nfs/dbraw/zinc/41/01/22/569410122.db2.gz	CSDRUCPTCFAUKJ-HSZRJFAPSA-N	0	0	448.975	5.785	50	30		IKEARN
COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(c3ccc(Cl)cc3)=C2C(C)=O)cc1	ZINC000002616081	569410153	/nfs/dbraw/zinc/41/01/53/569410153.db2.gz	CSDRUCPTCFAUKJ-QHCPKHFHSA-N	0	0	448.975	5.785	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c1C	ZINC000002619306	569410708	/nfs/dbraw/zinc/41/07/08/569410708.db2.gz	YJOBZYXQTQNPNN-UHFFFAOYSA-N	0	0	443.576	5.217	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccccc2)o1	ZINC000002622776	569411334	/nfs/dbraw/zinc/41/13/34/569411334.db2.gz	HJYGKBBEQTZTBB-UHFFFAOYSA-N	0	0	439.928	5.039	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3cccs3)C4)C2=O)cc1	ZINC000028541905	569411771	/nfs/dbraw/zinc/41/17/71/569411771.db2.gz	HHMFHMTYWZRTRK-UUYOSTAYSA-N	0	0	433.529	5.076	50	30		IKEARN
C[C@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1	ZINC000215683215	569412024	/nfs/dbraw/zinc/41/20/24/569412024.db2.gz	ZSIQWMODTAAERP-STQMWFEESA-N	0	0	439.528	5.297	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2nnc(Nc3ccc(SC(F)F)cc3)s2)c1	ZINC000002644113	569413985	/nfs/dbraw/zinc/41/39/85/569413985.db2.gz	WFTMCHDSTKYUJS-UHFFFAOYSA-N	0	0	449.533	5.199	50	30		IKEARN
N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000215734567	569414614	/nfs/dbraw/zinc/41/46/14/569414614.db2.gz	SJNVXKQLQJVSNM-UHFFFAOYSA-N	0	0	447.413	5.389	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CCCCC3)cc(OCC)c1OCC	ZINC000002739065	569419229	/nfs/dbraw/zinc/41/92/29/569419229.db2.gz	MLGUVBBCZOZULH-UHFFFAOYSA-N	0	0	428.554	5.337	50	30		IKEARN
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc(C(=O)OC(C)C)c(C)c1C#N	ZINC000002739927	569419242	/nfs/dbraw/zinc/41/92/42/569419242.db2.gz	PZNZTARZOUXLMG-UHFFFAOYSA-N	0	0	443.912	5.363	50	30		IKEARN
C#CCOc1ccc(Br)cc1[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1	ZINC000002745100	569419971	/nfs/dbraw/zinc/41/99/71/569419971.db2.gz	ZEIPSOYTXCIMJG-HSZRJFAPSA-N	0	0	447.332	5.541	50	30		IKEARN
C=CCOc1ccc(Br)c([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C)c2)c1	ZINC000002746629	569420076	/nfs/dbraw/zinc/42/00/76/569420076.db2.gz	MLGUBIKPNRFAGR-HSZRJFAPSA-N	0	0	449.348	6.093	50	30		IKEARN
CCOC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C	ZINC000002757380	569420210	/nfs/dbraw/zinc/42/02/10/569420210.db2.gz	SEFJWQUHBZJQRQ-UHFFFAOYSA-N	0	0	439.345	5.879	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1	ZINC000002756829	569420361	/nfs/dbraw/zinc/42/03/61/569420361.db2.gz	RCBUSTNKLMRFRJ-ZOMGDLOTSA-N	0	0	427.718	7.871	50	30		IKEARN
Cc1c(C#N)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc1C(=O)N(C)C	ZINC000002761685	569420562	/nfs/dbraw/zinc/42/05/62/569420562.db2.gz	VSSCAJXDBVEWFM-HXUWFJFHSA-N	0	0	435.574	5.102	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc(C)c(-c4ccccc4)c3C#N)c3ccccc3n2)o1	ZINC000002773440	569420811	/nfs/dbraw/zinc/42/08/11/569420811.db2.gz	YZLSZZQYYINNOT-UHFFFAOYSA-N	0	0	449.535	6.964	50	30		IKEARN
C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000002790826	569421499	/nfs/dbraw/zinc/42/14/99/569421499.db2.gz	ZXFJQVARNFMMEO-STQMWFEESA-N	0	0	449.418	5.005	50	30		IKEARN
C[C@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000002790827	569421617	/nfs/dbraw/zinc/42/16/17/569421617.db2.gz	ZXFJQVARNFMMEO-OLZOCXBDSA-N	0	0	449.418	5.005	50	30		IKEARN
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1COc1ccccc1	ZINC000002793407	569422055	/nfs/dbraw/zinc/42/20/55/569422055.db2.gz	UUYYRRKVNBNWDD-WYMLVPIESA-N	0	0	444.556	5.738	50	30		IKEARN
CCn1cc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)cn1	ZINC000002806839	569422291	/nfs/dbraw/zinc/42/22/91/569422291.db2.gz	FBGHOXLBRYRLJO-HNNXBMFYSA-N	0	0	441.560	5.428	50	30		IKEARN
N#Cc1ccccc1CSc1nc2ccc(NC(=O)COc3ccccc3)cc2s1	ZINC000002843379	569423289	/nfs/dbraw/zinc/42/32/89/569423289.db2.gz	TVZLMUZQBCYMND-UHFFFAOYSA-N	0	0	431.542	5.478	50	30		IKEARN
COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(F)c1F	ZINC000002879931	569423938	/nfs/dbraw/zinc/42/39/38/569423938.db2.gz	LLOYOXZLGXCDFB-VIFPVBQESA-N	0	0	440.462	5.588	50	30		IKEARN
N#Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1	ZINC000002886379	569424045	/nfs/dbraw/zinc/42/40/45/569424045.db2.gz	ALNIIGVZLRQHRL-UHFFFAOYSA-N	0	0	448.857	5.418	50	30		IKEARN
C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1noc(-c2ccc(Cl)cc2)n1	ZINC000029279952	569429409	/nfs/dbraw/zinc/42/94/09/569429409.db2.gz	QIWCHOXXWZVWST-UHFFFAOYSA-N	0	0	445.331	5.232	50	30		IKEARN
N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccn2)nc1-c1ccc(Cl)cc1	ZINC000003029389	569436685	/nfs/dbraw/zinc/43/66/85/569436685.db2.gz	ORDAIFYPOODSPJ-UHFFFAOYSA-N	0	0	435.339	6.535	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3ccc(C)c(C)c3)C2=O)c1	ZINC000003041804	569438464	/nfs/dbraw/zinc/43/84/64/569438464.db2.gz	SIPJINQTTUWWSP-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O	ZINC000003041831	569438495	/nfs/dbraw/zinc/43/84/95/569438495.db2.gz	KBYIGUXRQPRDHZ-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1	ZINC000003041870	569438549	/nfs/dbraw/zinc/43/85/49/569438549.db2.gz	LMWYVPLPLZDIFH-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1OC(=O)c1c(Cl)cccc1Cl	ZINC000003051162	569439223	/nfs/dbraw/zinc/43/92/23/569439223.db2.gz	QXNNHGQZJYKKCL-UHFFFAOYSA-N	0	0	438.097	6.453	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@@H]2c1ccc(Br)cc1	ZINC000003084295	569439950	/nfs/dbraw/zinc/43/99/50/569439950.db2.gz	IUXBEHKJJCLTEE-HSZRJFAPSA-N	0	0	432.361	6.912	50	30		IKEARN
Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1	ZINC000230187408	569439952	/nfs/dbraw/zinc/43/99/52/569439952.db2.gz	YYJOHIQCSCXTOM-WYMJOSIYSA-N	0	0	444.538	5.291	50	30		IKEARN
Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@H]3C2(C#N)C#N)c(C)c1	ZINC000230235331	569440376	/nfs/dbraw/zinc/44/03/76/569440376.db2.gz	XMKOJNYQAUTPQU-JIMJEQGWSA-N	0	0	445.526	5.033	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc2c1	ZINC000003112993	569440377	/nfs/dbraw/zinc/44/03/77/569440377.db2.gz	KUPMWNABOZZGDZ-FSJBWODESA-N	0	0	436.265	6.225	50	30		IKEARN
Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@H]3C2(C#N)C#N)c(C)c1	ZINC000230235340	569440395	/nfs/dbraw/zinc/44/03/95/569440395.db2.gz	XMKOJNYQAUTPQU-NXCFDTQHSA-N	0	0	445.526	5.033	50	30		IKEARN
Fc1cccc(-c2nc3cc(/N=C/c4cccc(I)c4)ccc3o2)c1	ZINC000003113123	569440398	/nfs/dbraw/zinc/44/03/98/569440398.db2.gz	QOCTUPNNVRSWAH-FSJBWODESA-N	0	0	442.231	5.989	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1)c1ccc(Br)cc1	ZINC000003116156	569440424	/nfs/dbraw/zinc/44/04/24/569440424.db2.gz	CSYHHNSIDQNLKY-WYMPLXKRSA-N	0	0	432.676	6.211	50	30		IKEARN
COc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(OC)cc3)[C@H]2c2ccccc2)cc1	ZINC000003133477	569440728	/nfs/dbraw/zinc/44/07/28/569440728.db2.gz	KMGJEOONQRBYEI-RBRLEXCSSA-N	0	0	448.518	6.908	50	30		IKEARN
Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Oc1cccc(C(F)(F)F)c1	ZINC000003134450	569440746	/nfs/dbraw/zinc/44/07/46/569440746.db2.gz	GXAGIDGJXMURQH-UHFFFAOYSA-N	0	0	447.310	5.641	50	30		IKEARN
O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	ZINC000003171739	569441180	/nfs/dbraw/zinc/44/11/80/569441180.db2.gz	CKFCGVWAOXBROO-AWEZNQCLSA-N	0	0	429.263	5.412	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccsc2)[C@@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21	ZINC000003171633	569441222	/nfs/dbraw/zinc/44/12/22/569441222.db2.gz	ISXHHSLHOQHZBA-ZRBLBEILSA-N	0	0	441.943	5.686	50	30		IKEARN
CCCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003201993	569441611	/nfs/dbraw/zinc/44/16/11/569441611.db2.gz	QZUHYUOGSMZXBU-UHFFFAOYSA-N	0	0	446.510	6.961	50	30		IKEARN
Cc1nc(S[C@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1	ZINC000003211729	569441757	/nfs/dbraw/zinc/44/17/57/569441757.db2.gz	XCMYZNBHYABUBR-IBGZPJMESA-N	0	0	447.585	5.846	50	30		IKEARN
C=CCN(CC=C)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1-c1cccc(C)c1	ZINC000003224223	569442068	/nfs/dbraw/zinc/44/20/68/569442068.db2.gz	PNFMOPVTLRUKQK-UHFFFAOYSA-N	0	0	443.576	5.017	50	30		IKEARN
O=C(c1ccccc1)C1=C2NC(=O)c3c(-c4ccccc4)csc3N2Cc2ccccc21	ZINC000003227534	569442209	/nfs/dbraw/zinc/44/22/09/569442209.db2.gz	RLJFUHCLFDRGBQ-UHFFFAOYSA-N	0	0	434.520	5.730	50	30		IKEARN
N#CCCN(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21)c1ccccc1	ZINC000003235668	569442434	/nfs/dbraw/zinc/44/24/34/569442434.db2.gz	KZRZQIMOAHHYKO-UHFFFAOYSA-N	0	0	441.512	5.067	50	30		IKEARN
N#Cc1ccc(CSc2nc(-c3ccc(Cl)cc3Cl)cn2-c2ccccc2)cc1	ZINC000003241565	569442630	/nfs/dbraw/zinc/44/26/30/569442630.db2.gz	GPNYHORTNGFAPA-UHFFFAOYSA-N	0	0	436.367	7.010	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1	ZINC000003244957	569442700	/nfs/dbraw/zinc/44/27/00/569442700.db2.gz	DSERIKSIZMCJCM-MHZLTWQESA-N	0	0	449.531	6.490	50	30		IKEARN
CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000003250395	569442930	/nfs/dbraw/zinc/44/29/30/569442930.db2.gz	OHTHBAXIZZKYRX-QGZVFWFLSA-N	0	0	430.529	5.456	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)c3ccccc3C2=O)cc1OC	ZINC000003256466	569443067	/nfs/dbraw/zinc/44/30/67/569443067.db2.gz	UHYKNEBXZYGBSZ-UHFFFAOYSA-N	0	0	436.467	5.019	50	30		IKEARN
O=C(Nc1ccc(C(F)(F)C(F)(F)C(F)(F)F)cc1-c1ccccc1)c1ccccc1	ZINC000003262764	569443293	/nfs/dbraw/zinc/44/32/93/569443293.db2.gz	OXEFQYACCKRTBE-UHFFFAOYSA-N	0	0	441.346	6.895	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1	ZINC000003283812	569444023	/nfs/dbraw/zinc/44/40/23/569444023.db2.gz	CYAXPKGJAYAHEP-GOSISDBHSA-N	0	0	441.531	5.053	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1	ZINC000003290855	569444401	/nfs/dbraw/zinc/44/44/01/569444401.db2.gz	KDPQQYZPAZNJML-MRXNPFEDSA-N	0	0	447.560	5.114	50	30		IKEARN
O=C(C1=C2SC=C(c3ccc(Br)cc3)N2CC1)c1ccc2c(c1)OCO2	ZINC000003293328	569444542	/nfs/dbraw/zinc/44/45/42/569444542.db2.gz	WTKCXIHVQKFSHI-UHFFFAOYSA-N	0	0	428.307	5.023	50	30		IKEARN
N#Cc1c(NC(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)sc2c1CCCC2	ZINC000003294884	569444602	/nfs/dbraw/zinc/44/46/02/569444602.db2.gz	QLVGPOZEHWAUQK-UHFFFAOYSA-N	0	0	443.739	5.254	50	30		IKEARN
Cc1ccc(-c2oc(NC(=O)[C@@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000003307072	569445295	/nfs/dbraw/zinc/44/52/95/569445295.db2.gz	IWECEVKYRJSXQW-HXUWFJFHSA-N	0	0	436.511	6.508	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccccc1F	ZINC000003312033	569445558	/nfs/dbraw/zinc/44/55/58/569445558.db2.gz	AGCPNEKKAKSWGC-UHFFFAOYSA-N	0	0	446.551	5.653	50	30		IKEARN
N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)cc1	ZINC000003352029	569447429	/nfs/dbraw/zinc/44/74/29/569447429.db2.gz	YQDZADRRJREEDU-UHFFFAOYSA-N	0	0	435.455	5.151	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)C)c1	ZINC000003374701	569448632	/nfs/dbraw/zinc/44/86/32/569448632.db2.gz	HPGHIXTYWJLKFC-UHFFFAOYSA-N	0	0	434.561	5.444	50	30		IKEARN
N#CC(CCOC(=O)c1c2ccccc2nc2c1CCCC2)(c1ccccc1)c1ccccc1	ZINC000003418093	569450308	/nfs/dbraw/zinc/45/03/08/569450308.db2.gz	PHPCXAXIZLXWFX-UHFFFAOYSA-N	0	0	446.550	6.170	50	30		IKEARN
N#Cc1ccc(CSc2nc(-c3cccs3)c(C(=O)C(F)(F)F)cc2C#N)cc1	ZINC000003418727	569450322	/nfs/dbraw/zinc/45/03/22/569450322.db2.gz	SIUSNBWOSDPOHF-UHFFFAOYSA-N	0	0	429.448	5.591	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1nc(-c3cccs3)nc3ccccc31)CCC2	ZINC000003443526	569451267	/nfs/dbraw/zinc/45/12/67/569451267.db2.gz	WBNYIMWLZXHSKJ-UHFFFAOYSA-N	0	0	448.598	5.511	50	30		IKEARN
C=CCN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2c(s1)CCCC2	ZINC000003448061	569451474	/nfs/dbraw/zinc/45/14/74/569451474.db2.gz	POZJZYBHNLWYBC-UHFFFAOYSA-N	0	0	441.560	5.102	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccnc5ccccc53)CC(=O)O4)C2=O)cc1	ZINC000217759475	569452779	/nfs/dbraw/zinc/45/27/79/569452779.db2.gz	XHQWTGPOCVGBEE-ZJVWCJDDSA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(O)c(Cl)c3)CC(=O)O4)C2=O)cc1	ZINC000217799398	569453381	/nfs/dbraw/zinc/45/33/81/569453381.db2.gz	OGVUEVZLBVSKDA-SOFYTKRASA-N	0	0	448.858	5.111	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1	ZINC000217824119	569453773	/nfs/dbraw/zinc/45/37/73/569453773.db2.gz	CZGGGGKWSISETH-SOFYTKRASA-N	0	0	434.394	5.031	50	30	biogenic	IKEARN
CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1cccc(Cl)c1	ZINC000003587303	569454496	/nfs/dbraw/zinc/45/44/96/569454496.db2.gz	KVGWDXFWLBLGOY-MFKUBSTISA-N	0	0	425.001	5.635	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(F)c2)c1	ZINC000003608141	569454901	/nfs/dbraw/zinc/45/49/01/569454901.db2.gz	OVVCROBAXPHENG-UHFFFAOYSA-N	0	0	444.915	5.113	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)sc2c1CCCC2	ZINC000003668872	569455891	/nfs/dbraw/zinc/45/58/91/569455891.db2.gz	YYTBKBBROLOWSE-UHFFFAOYSA-N	0	0	439.005	6.697	50	30		IKEARN
N#Cc1c(Cl)nc(Nc2ccccc2SCCC(F)(F)F)c(Cl)c1Cl	ZINC000003764162	569456396	/nfs/dbraw/zinc/45/63/96/569456396.db2.gz	NQKPLYAVVIGBRF-UHFFFAOYSA-N	0	0	426.678	6.702	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000004018586	569458200	/nfs/dbraw/zinc/45/82/00/569458200.db2.gz	HJYQHNZJOCPURW-AREMUKBSSA-N	0	0	441.531	6.124	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1	ZINC000004065379	569458600	/nfs/dbraw/zinc/45/86/00/569458600.db2.gz	ONKPPTZEDGZSFY-QDJRPKQISA-N	0	0	435.618	6.302	50	30		IKEARN
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@H]1CCCc2c3cc(F)ccc3[nH]c21	ZINC000218606014	569458748	/nfs/dbraw/zinc/45/87/48/569458748.db2.gz	NRYXEJASFVQXCP-FQEVSTJZSA-N	0	0	444.535	5.020	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000004109138	569459114	/nfs/dbraw/zinc/45/91/14/569459114.db2.gz	HWWXRDDOQICNPQ-ZMPCKTLKSA-N	0	0	431.542	5.571	50	30		IKEARN
C=CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000004136675	569460315	/nfs/dbraw/zinc/46/03/15/569460315.db2.gz	TWADNKXCZHJPEX-GQUZIAHASA-N	0	0	439.588	5.438	50	30		IKEARN
N#Cc1ccc(CSc2ncc(CO)n2CCC(c2ccccc2)c2ccccc2)cc1	ZINC000004157989	569460533	/nfs/dbraw/zinc/46/05/33/569460533.db2.gz	LYMHJWKXNLHOAI-UHFFFAOYSA-N	0	0	439.584	5.762	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2)cc1	ZINC000066437765	569462176	/nfs/dbraw/zinc/46/21/76/569462176.db2.gz	VORWOTXLHLBCLV-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
Cc1cc(Cl)ccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12	ZINC000066437702	569462192	/nfs/dbraw/zinc/46/21/92/569462192.db2.gz	GLIVYRCSFGALSE-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)ccc4O)c23)cc1	ZINC000008387050	569462728	/nfs/dbraw/zinc/46/27/28/569462728.db2.gz	BIADEPGWLZNDBS-PGGKNCGUSA-N	0	0	439.338	5.581	50	30		IKEARN
CCOC(=O)[C@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N	ZINC000008443103	569464639	/nfs/dbraw/zinc/46/46/39/569464639.db2.gz	YDQCASKWHQRYQD-ZDUSSCGKSA-N	0	0	428.966	6.046	50	30		IKEARN
COc1ccccc1NC(=Nc1nnc(C)s1)N1N=C(C)S[C@H]1c1ccc(C)cc1	ZINC000008448151	569464871	/nfs/dbraw/zinc/46/48/71/569464871.db2.gz	TUYCFXVQUHBXOR-IBGZPJMESA-N	0	0	438.582	5.344	50	30		IKEARN
CCCc1ccc(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)cc2)cc1	ZINC000008455842	569465148	/nfs/dbraw/zinc/46/51/48/569465148.db2.gz	HCMGLAPIZHKWBI-UHFFFAOYSA-N	0	0	430.573	6.282	50	30		IKEARN
O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000008694234	569470028	/nfs/dbraw/zinc/47/00/28/569470028.db2.gz	ZUCDXCDTCAMUQB-DHIUTWEWSA-N	0	0	443.959	6.053	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)NCCCn2ccc3ccccc32)cc1	ZINC000008703931	569470189	/nfs/dbraw/zinc/47/01/89/569470189.db2.gz	IYROZXKCEMUZOX-UHFFFAOYSA-N	0	0	425.557	5.625	50	30		IKEARN
Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2cn(CCC#N)nc2-c2ccccc2)c1	ZINC000008721436	569471711	/nfs/dbraw/zinc/47/17/11/569471711.db2.gz	YWFHZQNERSRJIK-SANMLTNESA-N	0	0	433.515	5.543	50	30		IKEARN
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@@H]1c1ccc(Cl)cc1	ZINC000008721076	569471716	/nfs/dbraw/zinc/47/17/16/569471716.db2.gz	YNENGFDBOHXUCG-GOSISDBHSA-N	0	0	440.927	5.774	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008744026	569473022	/nfs/dbraw/zinc/47/30/22/569473022.db2.gz	LOTPWLREWPFQNY-OAQYLSRUSA-N	0	0	436.895	5.543	50	30		IKEARN
Cc1ccc2nc(-c3ccc(NC4=CC(=O)C[C@H](c5ccc(F)cc5)C4)cc3)sc2c1	ZINC000008756796	569474107	/nfs/dbraw/zinc/47/41/07/569474107.db2.gz	NIASTRMTIFLBEB-LJQANCHMSA-N	0	0	428.532	6.853	50	30		IKEARN
O=[N+]([O-])c1ccc(OCc2ccccc2Cl)c(C=NNc2ncnc3ccccc32)c1	ZINC000008763499	569474399	/nfs/dbraw/zinc/47/43/99/569474399.db2.gz	XAGHWMBSMPFIGZ-RPPGKUMJSA-N	0	0	433.855	5.216	50	30		IKEARN
C[C@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1	ZINC000008763344	569474415	/nfs/dbraw/zinc/47/44/15/569474415.db2.gz	ZTAJNUUCTRKCMJ-HVJIYZOHSA-N	0	0	429.545	5.090	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3Cl)c2C#N)cc1	ZINC000008763991	569474562	/nfs/dbraw/zinc/47/45/62/569474562.db2.gz	FQXUBDLULASPSL-UHFFFAOYSA-N	0	0	442.971	7.242	50	30		IKEARN
CCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(Cc2ccccc2)CC1	ZINC000008771144	569475194	/nfs/dbraw/zinc/47/51/94/569475194.db2.gz	CWOVYILZBWGNOO-QFIPXVFZSA-N	0	0	442.563	5.039	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1	ZINC000008779095	569475494	/nfs/dbraw/zinc/47/54/94/569475494.db2.gz	ABCRYPSTNJZXLR-PGMHBOJBSA-N	0	0	428.444	5.948	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccc(OCC)cc2)c2nc3ccccc3o2)cc1	ZINC000008779096	569475521	/nfs/dbraw/zinc/47/55/21/569475521.db2.gz	JHLIWRAMKDOLTA-NKFKGCMQSA-N	0	0	427.500	6.439	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c(C)c1	ZINC000008781001	569475648	/nfs/dbraw/zinc/47/56/48/569475648.db2.gz	GJQAKTFKLDGHOQ-RGVLZGJSSA-N	0	0	443.355	6.762	50	30		IKEARN
N#Cc1cc(NC(=O)c2ccc(F)cc2)ccc1[S@@](=O)c1cccc(C(F)(F)F)c1	ZINC000008781512	569475660	/nfs/dbraw/zinc/47/56/60/569475660.db2.gz	LFKYEUMNBVOIIG-SSEXGKCCSA-N	0	0	432.398	5.135	50	30		IKEARN
CC(=O)[C@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000008781453	569475662	/nfs/dbraw/zinc/47/56/62/569475662.db2.gz	NPIVENQXQWFUMU-WQQCXNOLSA-N	0	0	448.133	5.647	50	30		IKEARN
N#Cc1c(/C=C/c2ccc(O)cc2)nc2c(c1-c1ccc3c(c1)OCO3)C(=O)c1ccccc1-2	ZINC000008781856	569475690	/nfs/dbraw/zinc/47/56/90/569475690.db2.gz	DAJTXOFHHKTGHJ-YRNVUSSQSA-N	0	0	444.446	5.436	50	30		IKEARN
COc1cc(CN=NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl	ZINC000008788976	569475858	/nfs/dbraw/zinc/47/58/58/569475858.db2.gz	SSZHIHKPCFFVDZ-OYKKKHCWSA-N	0	0	425.941	5.659	50	30		IKEARN
C/C(=N\O)[C@@]12O[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000008789863	569476009	/nfs/dbraw/zinc/47/60/09/569476009.db2.gz	DSFGOUABGWEHRO-JRUDZWHXSA-N	0	0	449.591	5.772	50	30	biogenic	IKEARN
COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3OC)c2C#N)c1	ZINC000008809736	569476517	/nfs/dbraw/zinc/47/65/17/569476517.db2.gz	AURHJGTXOOROPW-UHFFFAOYSA-N	0	0	438.552	6.597	50	30		IKEARN
N#Cc1c(SC/C=C/c2ccccc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1	ZINC000008809566	569476532	/nfs/dbraw/zinc/47/65/32/569476532.db2.gz	RFQOJYVERUCWIM-XBXARRHUSA-N	0	0	445.012	7.808	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000008809725	569476538	/nfs/dbraw/zinc/47/65/38/569476538.db2.gz	KZPWBARPQOSHNM-SMIHKQSGSA-N	0	0	437.524	5.041	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccsc2)[C@H]1c1ccccc1	ZINC000008809681	569476549	/nfs/dbraw/zinc/47/65/49/569476549.db2.gz	UBBBVGJLBBETIZ-ZLNRFVROSA-N	0	0	441.943	5.686	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000008818142	569476901	/nfs/dbraw/zinc/47/69/01/569476901.db2.gz	MFMWGLPWFDZYFX-HXUWFJFHSA-N	0	0	430.460	5.218	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1cccc([N+](=O)[O-])c1	ZINC000008826419	569477582	/nfs/dbraw/zinc/47/75/82/569477582.db2.gz	BMPMYCNETFWDCE-HSZRJFAPSA-N	0	0	436.475	5.630	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1ccc([N+](=O)[O-])cc1	ZINC000008826424	569477585	/nfs/dbraw/zinc/47/75/85/569477585.db2.gz	WUCMEJGUBJBTTA-QHCPKHFHSA-N	0	0	436.475	5.630	50	30		IKEARN
COc1cc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008838160	569478249	/nfs/dbraw/zinc/47/82/49/569478249.db2.gz	PSXOOMWRYCCWLC-CPNJWEJPSA-N	0	0	429.472	5.586	50	30		IKEARN
CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2C=Nc2nc[nH]n2)cc1	ZINC000008842883	569478405	/nfs/dbraw/zinc/47/84/05/569478405.db2.gz	QFWNIMNQASCRKV-LUILSVGHSA-N	0	0	443.345	5.289	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCCC(=O)Nc1nccs1	ZINC000008843594	569478493	/nfs/dbraw/zinc/47/84/93/569478493.db2.gz	UGJPORNVQQLJSF-UHFFFAOYSA-N	0	0	448.495	5.607	50	30		IKEARN
Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1	ZINC000008844506	569478573	/nfs/dbraw/zinc/47/85/73/569478573.db2.gz	NPFBRCUTPHTWIQ-UHFFFAOYSA-N	0	0	429.432	5.035	50	30		IKEARN
O=C1N/C(=N/N=C/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl	ZINC000008854318	569479640	/nfs/dbraw/zinc/47/96/40/569479640.db2.gz	FXLZAUNOGBCPEM-GQZFTILASA-N	0	0	445.158	5.894	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccccc1)c1ccc(F)cc1	ZINC000008867482	569480292	/nfs/dbraw/zinc/48/02/92/569480292.db2.gz	GOLFEMRQFDLCAE-AFUMVMLFSA-N	0	0	432.480	5.353	50	30		IKEARN
O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccc(Cl)cc1)c1ccco1	ZINC000008869462	569480452	/nfs/dbraw/zinc/48/04/52/569480452.db2.gz	QCQHVTRWMGDZHH-SJARNATQSA-N	0	0	448.935	6.420	50	30		IKEARN
CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(Nc2ccccc2)n1	ZINC000008872684	569481014	/nfs/dbraw/zinc/48/10/14/569481014.db2.gz	RWQHBSPPYNPHIL-YDZHTSKRSA-N	0	0	430.343	5.214	50	30		IKEARN
N#Cc1ccc(OCC(=O)NC[C@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1	ZINC000008881953	569482931	/nfs/dbraw/zinc/48/29/31/569482931.db2.gz	FPWMRBURXTUZJF-NRFANRHFSA-N	0	0	429.907	5.020	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c1C	ZINC000008886303	569483230	/nfs/dbraw/zinc/48/32/30/569483230.db2.gz	NWCLVJQCBKLLNE-VGOFRKELSA-N	0	0	449.624	5.671	50	30		IKEARN
CCCOc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000008892465	569483438	/nfs/dbraw/zinc/48/34/38/569483438.db2.gz	QRFJIXQSKWMRLJ-LYZGTLIUSA-N	0	0	449.550	7.180	50	30		IKEARN
CCCOc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000008892252	569483463	/nfs/dbraw/zinc/48/34/63/569483463.db2.gz	QRFJIXQSKWMRLJ-RBTNQOKQSA-N	0	0	449.550	7.180	50	30		IKEARN
COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000040049309	569483874	/nfs/dbraw/zinc/48/38/74/569483874.db2.gz	YFHUGTGNTPUARE-IAGOWNOFSA-N	0	0	444.560	5.034	50	30		IKEARN
C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1	ZINC000008898423	569483957	/nfs/dbraw/zinc/48/39/57/569483957.db2.gz	UCJUQURNBJFVOV-CQSZACIVSA-N	0	0	442.635	5.690	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccc(OC)cc2)c2nc3ccccc3o2)cc1	ZINC000008915601	569485561	/nfs/dbraw/zinc/48/55/61/569485561.db2.gz	SHQPBAVHNOIMNH-NKFKGCMQSA-N	0	0	427.500	6.439	50	30		IKEARN
CC(C)Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1	ZINC000008915579	569485589	/nfs/dbraw/zinc/48/55/89/569485589.db2.gz	LOUFPBQVJNQDLB-RCCKNPSSSA-N	0	0	428.444	5.947	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c(OC)c1OC	ZINC000008917878	569486172	/nfs/dbraw/zinc/48/61/72/569486172.db2.gz	BKSNWGNCCZWSPH-QRVIBDJDSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
C=CCNC(=S)N=NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1	ZINC000008921309	569486786	/nfs/dbraw/zinc/48/67/86/569486786.db2.gz	OIKXVEVBHLOFPW-MSXFZWOLSA-N	0	0	438.380	5.366	50	30		IKEARN
CCCC(=O)C1=C(Nc2ccc(N=Nc3ccccc3)cc2)CC(C)(C)[C@H](C(=O)OC)C1=O	ZINC000008926410	569487288	/nfs/dbraw/zinc/48/72/88/569487288.db2.gz	PZYULESMBJJFGN-XHWLHZJSSA-N	0	0	447.535	5.925	50	30		IKEARN
Clc1ccc(CN=Nc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(Cl)c1	ZINC000008926460	569487298	/nfs/dbraw/zinc/48/72/98/569487298.db2.gz	MQQOXEFHDGIRMT-ZMFRSBBQSA-N	0	0	447.329	5.781	50	30		IKEARN
CCOC(=O)c1c(C)nc2c(c1-c1ccc(Br)cc1)/C(=N/O)CC(C)(C)C2	ZINC000008934222	569487886	/nfs/dbraw/zinc/48/78/86/569487886.db2.gz	RMIGBNQSIOKYCX-LFVJCYFKSA-N	0	0	431.330	5.147	50	30		IKEARN
N#Cc1c(SCC(=O)c2cccs2)nc(-c2ccc(F)cc2)cc1-c1ccccc1	ZINC000008934259	569487929	/nfs/dbraw/zinc/48/79/29/569487929.db2.gz	ZPZKURSJUAVNLY-UHFFFAOYSA-N	0	0	430.529	6.463	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C	ZINC000008951304	569489898	/nfs/dbraw/zinc/48/98/98/569489898.db2.gz	RSVSSLWPCYJYAK-SOFGYWHQSA-N	0	0	431.355	5.277	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1-n1nc(-c2ccccc2)cc1-c1ccccc1	ZINC000008952393	569490027	/nfs/dbraw/zinc/49/00/27/569490027.db2.gz	ZILPEANVOJDMRV-UHFFFAOYSA-N	0	0	436.330	6.782	50	30		IKEARN
N#CCCn1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1	ZINC000008965908	569491617	/nfs/dbraw/zinc/49/16/17/569491617.db2.gz	QUBSQSUURKXMLG-SANMLTNESA-N	0	0	433.515	5.230	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)n1	ZINC000008966205	569491694	/nfs/dbraw/zinc/49/16/94/569491694.db2.gz	YQRVXKVREOLRIN-QGZVFWFLSA-N	0	0	438.603	5.163	50	30		IKEARN
C=CCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccc(Cl)cc1	ZINC000008966345	569491759	/nfs/dbraw/zinc/49/17/59/569491759.db2.gz	KACGBNFAWPVYOF-LBPRGKRZSA-N	0	0	429.958	5.749	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cccc(Cl)c4)ccc3C1=O)cn2C	ZINC000008990578	569495000	/nfs/dbraw/zinc/49/50/00/569495000.db2.gz	XQEXOSRIRMDEBW-OPEKNORGSA-N	0	0	445.902	6.036	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4ccccc4)c3C)C1=O)cn2C	ZINC000008991772	569495289	/nfs/dbraw/zinc/49/52/89/569495289.db2.gz	CCOKIEVNBZUBDJ-ZMOGYAJESA-N	0	0	439.467	5.331	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1OC	ZINC000008993438	569495400	/nfs/dbraw/zinc/49/54/00/569495400.db2.gz	HFGZHXCGDUXQMR-UHFFFAOYSA-N	0	0	448.441	6.088	50	30		IKEARN
Cc1ccc2c(CSc3nc4c(c(C(F)(F)F)c3C#N)CCCC4)cc(=O)oc2c1C	ZINC000008993035	569495453	/nfs/dbraw/zinc/49/54/53/569495453.db2.gz	BMQHXQPBMYGXPH-UHFFFAOYSA-N	0	0	444.478	5.866	50	30		IKEARN
CCOC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000009008946	569496342	/nfs/dbraw/zinc/49/63/42/569496342.db2.gz	PIRUPNNSVZWTTA-HPNDGRJYSA-N	0	0	443.532	5.015	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000009014520	569496703	/nfs/dbraw/zinc/49/67/03/569496703.db2.gz	PRLQUNVZZGGPIB-KROBSHITSA-N	0	0	440.455	5.086	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@H]2c2ccccc2F)cc1	ZINC000009020045	569496947	/nfs/dbraw/zinc/49/69/47/569496947.db2.gz	CAIOWLYTAFINAI-QHCPKHFHSA-N	0	0	447.462	5.016	50	30		IKEARN
Clc1ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)cc1	ZINC000009034230	569497280	/nfs/dbraw/zinc/49/72/80/569497280.db2.gz	ZMSRPNHJHAIKNC-BRJLIKDPSA-N	0	0	427.722	6.703	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1	ZINC000009065266	569499678	/nfs/dbraw/zinc/49/96/78/569499678.db2.gz	PWZIBQSESXXLPX-WUXMJOGZSA-N	0	0	433.554	6.199	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1	ZINC000009066824	569499938	/nfs/dbraw/zinc/49/99/38/569499938.db2.gz	MANPOKGAQFMFDX-VIFPVBQESA-N	0	0	431.926	5.773	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4cccc([N+](=O)[O-])c4c3Cl)sc2C1	ZINC000009066819	569499948	/nfs/dbraw/zinc/49/99/48/569499948.db2.gz	MANPOKGAQFMFDX-SECBINFHSA-N	0	0	431.926	5.773	50	30		IKEARN
CC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccccc2)S1	ZINC000009076529	569500315	/nfs/dbraw/zinc/50/03/15/569500315.db2.gz	FUJXZSHIILDOHY-VWLOTQADSA-N	0	0	443.597	6.287	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1cn2ccccc2n1	ZINC000009090772	569501107	/nfs/dbraw/zinc/50/11/07/569501107.db2.gz	HWZZENDUTNWDBF-UHFFFAOYSA-N	0	0	430.558	5.251	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1O	ZINC000009096075	569501395	/nfs/dbraw/zinc/50/13/95/569501395.db2.gz	XIXVULHATPSHKV-LBPRGKRZSA-N	0	0	449.363	5.263	50	30		IKEARN
N#Cc1oc2ccccc2c1NC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2	ZINC000009126353	569504913	/nfs/dbraw/zinc/50/49/13/569504913.db2.gz	YAINEHSEODASTG-UHFFFAOYSA-N	0	0	428.517	5.100	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccc(Br)cc2)c[nH]1	ZINC000009126762	569505018	/nfs/dbraw/zinc/50/50/18/569505018.db2.gz	WHPSBRYCLHCWOX-UHFFFAOYSA-N	0	0	447.745	5.095	50	30		IKEARN
N#CCCN(C(=O)CSc1nc(-c2cccs2)nc2ccccc21)c1ccccc1	ZINC000009127443	569505179	/nfs/dbraw/zinc/50/51/79/569505179.db2.gz	FQIWTQNXODKOCA-UHFFFAOYSA-N	0	0	430.558	5.397	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000245380228	569505402	/nfs/dbraw/zinc/50/54/02/569505402.db2.gz	UOCUEIOMIAYZNI-VKDHOMMPSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
CN(C)c1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1	ZINC000009129366	569505734	/nfs/dbraw/zinc/50/57/34/569505734.db2.gz	QXJIZEDAZFEIDY-NRFANRHFSA-N	0	0	442.559	5.121	50	30	biogenic	IKEARN
N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@@](=O)Cc1ccc(Cl)cc1	ZINC000009130777	569506095	/nfs/dbraw/zinc/50/60/95/569506095.db2.gz	LKSDEUWISFYTBY-GDLZYMKVSA-N	0	0	434.973	6.310	50	30		IKEARN
COc1ccc(OC)c(/C=C/C(=O)c2c(=O)[nH]c3ccc(C)cc3c2-c2ccccc2)c1	ZINC000009138012	569507146	/nfs/dbraw/zinc/50/71/46/569507146.db2.gz	NPPBTXBNPQRUIG-JLHYYAGUSA-N	0	0	425.484	5.417	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009152921	569507915	/nfs/dbraw/zinc/50/79/15/569507915.db2.gz	IWUJMPKWRQTWMZ-OAQYLSRUSA-N	0	0	429.520	5.295	50	30		IKEARN
COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009152913	569507938	/nfs/dbraw/zinc/50/79/38/569507938.db2.gz	WJTMMYBVMOFQPO-OAQYLSRUSA-N	0	0	429.520	5.295	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC	ZINC000009164653	569508802	/nfs/dbraw/zinc/50/88/02/569508802.db2.gz	RSRDBWHPENNCIP-RUZDIDTESA-N	0	0	446.547	5.257	50	30		IKEARN
C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000009190080	569510556	/nfs/dbraw/zinc/51/05/56/569510556.db2.gz	KTIYBSIAOFEMTO-UHFFFAOYSA-N	0	0	440.528	6.148	50	30		IKEARN
C=CCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O	ZINC000009191676	569510648	/nfs/dbraw/zinc/51/06/48/569510648.db2.gz	XHFWNDUQKMPAKG-LJQANCHMSA-N	0	0	437.971	5.359	50	30		IKEARN
O=C1c2ccc(OCc3c(F)cccc3Cl)cc2O/C1=C\c1ccc([N+](=O)[O-])cc1	ZINC000009210357	569511599	/nfs/dbraw/zinc/51/15/99/569511599.db2.gz	RLPYNORBJGAMLM-FBHDLOMBSA-N	0	0	425.799	5.583	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1cccs1	ZINC000009210057	569511630	/nfs/dbraw/zinc/51/16/30/569511630.db2.gz	XRFOLUPJUCVGEX-YVLHZVERSA-N	0	0	427.275	5.346	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1	ZINC000009215744	569512041	/nfs/dbraw/zinc/51/20/41/569512041.db2.gz	SIXRAWDDQDJTPY-XTEPFMGCSA-N	0	0	438.527	6.059	50	30		IKEARN
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2	ZINC000009224019	569513073	/nfs/dbraw/zinc/51/30/73/569513073.db2.gz	AEIRAFWOWIMNBA-LBPRGKRZSA-N	0	0	438.578	5.289	50	30		IKEARN
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@@H]1c1ccco1	ZINC000009253353	569516177	/nfs/dbraw/zinc/51/61/77/569516177.db2.gz	IIRCAJHZFIRMFP-QGZVFWFLSA-N	0	0	441.274	5.078	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccccc2)cc1	ZINC000009271235	569517739	/nfs/dbraw/zinc/51/77/39/569517739.db2.gz	IUOMLGBWBNUDHI-QFIPXVFZSA-N	0	0	440.524	5.696	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2cccs2)cc1	ZINC000009271189	569517756	/nfs/dbraw/zinc/51/77/56/569517756.db2.gz	FUJHIFBXSHDIEA-GOSISDBHSA-N	0	0	440.546	5.003	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2cccs2)cc1	ZINC000009271188	569517773	/nfs/dbraw/zinc/51/77/73/569517773.db2.gz	FUJHIFBXSHDIEA-SFHVURJKSA-N	0	0	440.546	5.003	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000009271601	569517819	/nfs/dbraw/zinc/51/78/19/569517819.db2.gz	UIMJMNCRBOQYJC-GOSISDBHSA-N	0	0	440.546	5.003	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1	ZINC000009272081	569517849	/nfs/dbraw/zinc/51/78/49/569517849.db2.gz	ZHQYSJCZMJRFFK-SIBVEZHUSA-N	0	0	440.568	6.059	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000009272181	569517915	/nfs/dbraw/zinc/51/79/15/569517915.db2.gz	WJIGZNABDHCGEH-JOCHJYFZSA-N	0	0	433.891	5.522	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000009272252	569517943	/nfs/dbraw/zinc/51/79/43/569517943.db2.gz	QKQMMWKKUAROFK-DSNGMDLFSA-N	0	0	435.914	5.624	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1OC	ZINC000009281437	569518601	/nfs/dbraw/zinc/51/86/01/569518601.db2.gz	HBDJKSMKQDVIJF-JJFYIABZSA-N	0	0	436.847	5.193	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O	ZINC000009281444	569518631	/nfs/dbraw/zinc/51/86/31/569518631.db2.gz	OEZQUKJEMCRQHK-FBHDLOMBSA-N	0	0	441.266	5.837	50	30		IKEARN
COc1ccc(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)cc1Cl	ZINC000009284608	569519053	/nfs/dbraw/zinc/51/90/53/569519053.db2.gz	UZQCREGRPZOGNG-UHFFFAOYSA-N	0	0	436.924	5.060	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cn(C(C)C)c2ccccc12	ZINC000009290595	569519770	/nfs/dbraw/zinc/51/97/70/569519770.db2.gz	QCYRSFVEPLGPDJ-WKULSOCRSA-N	0	0	434.547	6.212	50	30		IKEARN
O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1	ZINC000009296719	569520526	/nfs/dbraw/zinc/52/05/26/569520526.db2.gz	OMUUILJZYRYNHW-JCOWHHPYSA-N	0	0	442.331	7.170	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000009306619	569521334	/nfs/dbraw/zinc/52/13/34/569521334.db2.gz	GKLSAKOFKGUXHN-UHFFFAOYSA-N	0	0	445.318	7.300	50	30		IKEARN
Cc1nn(Cc2ccccc2)c(C)c1CN=Nc1ncnc2scc(-c3ccccc3)c21	ZINC000009345768	569524127	/nfs/dbraw/zinc/52/41/27/569524127.db2.gz	RQLSIHPOOCHSIE-XODNFHPESA-N	0	0	438.560	5.666	50	30		IKEARN
CN(/N=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Sc3ccccc3)cc2)cs1	ZINC000009347656	569524357	/nfs/dbraw/zinc/52/43/57/569524357.db2.gz	XUAWUCOMIRHWER-MFKUBSTISA-N	0	0	436.005	7.085	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1	ZINC000009349399	569524728	/nfs/dbraw/zinc/52/47/28/569524728.db2.gz	QJGOFWLMWVJTPL-UHFFFAOYSA-N	0	0	445.013	5.167	50	30		IKEARN
N#C[C@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1	ZINC000009353473	569524970	/nfs/dbraw/zinc/52/49/70/569524970.db2.gz	SWDPUKFADHXPSR-FQEVSTJZSA-N	0	0	430.508	5.212	50	30		IKEARN
CC(C)Oc1ccc(-c2nc3ccccc3c(N=NCc3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000009356833	569525563	/nfs/dbraw/zinc/52/55/63/569525563.db2.gz	MAFQAJZHUSHLMX-MFKUBSTISA-N	0	0	427.464	5.438	50	30		IKEARN
CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@]2(C(C)(C)C)C1=O	ZINC000009357872	569525625	/nfs/dbraw/zinc/52/56/25/569525625.db2.gz	AVACOHUQWPOENZ-PQDPFJETSA-N	0	0	440.591	6.302	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000009362759	569525863	/nfs/dbraw/zinc/52/58/63/569525863.db2.gz	KIUQVNXXFIFBTF-QFIPXVFZSA-N	0	0	433.891	5.440	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009363616	569525955	/nfs/dbraw/zinc/52/59/55/569525955.db2.gz	YWRNAGSEERWSRA-QFIPXVFZSA-N	0	0	449.934	6.009	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000009370734	569526856	/nfs/dbraw/zinc/52/68/56/569526856.db2.gz	XXNYPZYFQKYNGI-GQAFRRMJSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009374700	569527168	/nfs/dbraw/zinc/52/71/68/569527168.db2.gz	UEUMNXDYKVRGFQ-QHCPKHFHSA-N	0	0	431.919	5.469	50	30		IKEARN
CCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009379648	569527704	/nfs/dbraw/zinc/52/77/04/569527704.db2.gz	NRXWTULIFTWMEG-LPKHAAKTSA-N	0	0	431.561	5.483	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000009379961	569527809	/nfs/dbraw/zinc/52/78/09/569527809.db2.gz	JANGBGBWWOSSEW-LJQANCHMSA-N	0	0	428.271	5.365	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000009380303	569527880	/nfs/dbraw/zinc/52/78/80/569527880.db2.gz	YKUIWDOCWKLGNG-NGOKVRLYSA-N	0	0	440.562	7.103	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009380265	569527903	/nfs/dbraw/zinc/52/79/03/569527903.db2.gz	QRNLQRUOYZBTQK-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009380607	569527988	/nfs/dbraw/zinc/52/79/88/569527988.db2.gz	QRNLQRUOYZBTQK-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(F)c(F)c2F)nc2c(c1-c1ccco1)CCCC2	ZINC000009402859	569529449	/nfs/dbraw/zinc/52/94/49/569529449.db2.gz	RIGQKJOCLOPQHC-UHFFFAOYSA-N	0	0	443.450	5.240	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4OC)ccc3C2=O)c2ccccc21	ZINC000009421038	569532711	/nfs/dbraw/zinc/53/27/11/569532711.db2.gz	IEACCSJHDIMJHM-AFUMVMLFSA-N	0	0	439.467	5.505	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21	ZINC000009422319	569532822	/nfs/dbraw/zinc/53/28/22/569532822.db2.gz	MOTQDPBRQOQDMG-DHRITJCHSA-N	0	0	429.903	6.510	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21	ZINC000009422320	569532827	/nfs/dbraw/zinc/53/28/27/569532827.db2.gz	JTYFRPCPTDKOQO-AFUMVMLFSA-N	0	0	443.930	6.818	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4cccs4)c3C)C2=O)c2ccccc21	ZINC000009421984	569532853	/nfs/dbraw/zinc/53/28/53/569532853.db2.gz	XEGLHOMLADYVKA-FYJGNVAPSA-N	0	0	429.497	5.867	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC/C=C/c4ccccc4)ccc3C1=O)cn2C	ZINC000009422279	569532860	/nfs/dbraw/zinc/53/28/60/569532860.db2.gz	OENFZVOFWPXJOD-FBLKOXEQSA-N	0	0	437.495	5.895	50	30		IKEARN
Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21	ZINC000009422407	569532865	/nfs/dbraw/zinc/53/28/65/569532865.db2.gz	IFOHJDWFDSSZBI-FSJBWODESA-N	0	0	429.859	5.667	50	30		IKEARN
Cc1c2c(ccc1OCc1ccccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422461	569532872	/nfs/dbraw/zinc/53/28/72/569532872.db2.gz	HXVWUDLZLWNPCN-ZMOGYAJESA-N	0	0	429.903	6.335	50	30		IKEARN
Cc1c2c(ccc1OC(=O)c1ccccc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422569	569532876	/nfs/dbraw/zinc/53/28/76/569532876.db2.gz	AADFMXWZGNGALF-YDZHTSKRSA-N	0	0	443.886	5.976	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C	ZINC000009423003	569532915	/nfs/dbraw/zinc/53/29/15/569532915.db2.gz	NSJVESBVBFHOAR-LGJNPRDNSA-N	0	0	439.511	5.999	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4C)c3C)C1=O)cn2C	ZINC000009423720	569532977	/nfs/dbraw/zinc/53/29/77/569532977.db2.gz	WMBXXIHDPVZAQM-LGJNPRDNSA-N	0	0	439.511	5.999	50	30		IKEARN
COc1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccc(OC)cc24)C3=O)cc1	ZINC000009423823	569532982	/nfs/dbraw/zinc/53/29/82/569532982.db2.gz	HWNUBSAILPTMGP-RPPGKUMJSA-N	0	0	441.483	5.391	50	30		IKEARN
CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)N2CCc3ccccc32)n1	ZINC000009423913	569533023	/nfs/dbraw/zinc/53/30/23/569533023.db2.gz	SNSLLXJSLVWSBE-UHFFFAOYSA-N	0	0	447.526	5.731	50	30		IKEARN
COc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)cc1Cl	ZINC000009426944	569533313	/nfs/dbraw/zinc/53/33/13/569533313.db2.gz	AZZZFGLKNPZTDL-LSFURLLWSA-N	0	0	436.320	5.432	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000009428050	569533504	/nfs/dbraw/zinc/53/35/04/569533504.db2.gz	BZGYMWPZTVCURX-LJQANCHMSA-N	0	0	428.271	5.365	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1	ZINC000009433264	569534556	/nfs/dbraw/zinc/53/45/56/569534556.db2.gz	ZPNSYCMRUOZQQI-PKTZIBPZSA-N	0	0	429.545	5.195	50	30		IKEARN
COc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC	ZINC000009433999	569534708	/nfs/dbraw/zinc/53/47/08/569534708.db2.gz	SMDOXOQBDZXXEU-VWLOTQADSA-N	0	0	431.513	5.579	50	30		IKEARN
COc1cccc(OCCCOc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)c1	ZINC000009434883	569534758	/nfs/dbraw/zinc/53/47/58/569534758.db2.gz	KSIONBJPBMFFLC-KOEQRZSOSA-N	0	0	433.533	5.599	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O	ZINC000009450562	569536279	/nfs/dbraw/zinc/53/62/79/569536279.db2.gz	AELSKUVTZRNISM-PSHHWHLWSA-N	0	0	428.415	5.368	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000009460973	569537016	/nfs/dbraw/zinc/53/70/16/569537016.db2.gz	RFFXIAHPHFYOJG-QFIPXVFZSA-N	0	0	430.504	5.372	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000009461026	569537038	/nfs/dbraw/zinc/53/70/38/569537038.db2.gz	FXHGIRNXNZEHNV-NRFANRHFSA-N	0	0	444.512	5.796	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000009462908	569537395	/nfs/dbraw/zinc/53/73/95/569537395.db2.gz	GRPULRAITOAXSH-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
CCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009465477	569537950	/nfs/dbraw/zinc/53/79/50/569537950.db2.gz	ZKHOKWUADQIYFE-MHZLTWQESA-N	0	0	448.607	6.713	50	30		IKEARN
Cc1ccccc1COc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O	ZINC000009476703	569539113	/nfs/dbraw/zinc/53/91/13/569539113.db2.gz	UAFIWGJHPLSYQU-RMORIDSASA-N	0	0	434.875	5.710	50	30		IKEARN
COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C#N)c3)n2C2CCCCC2)cc1	ZINC000009507756	569542112	/nfs/dbraw/zinc/54/21/12/569542112.db2.gz	GWOGBUVWIUWAIY-UHFFFAOYSA-N	0	0	447.564	5.061	50	30		IKEARN
N#Cc1ccccc1OCC(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1	ZINC000009509621	569542627	/nfs/dbraw/zinc/54/26/27/569542627.db2.gz	GXWHJKQPLONJKM-UHFFFAOYSA-N	0	0	429.476	5.565	50	30		IKEARN
CC(C)Cc1c2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc(-c2ccccc2)c1C#N	ZINC000009554178	569546780	/nfs/dbraw/zinc/54/67/80/569546780.db2.gz	MSIAWMSYEKWZJI-UHFFFAOYSA-N	0	0	445.975	6.500	50	30		IKEARN
Cc1ccc(NC2=NC(=S)N(N(C)c3ccccc3)C23CCC(C(C)(C)C)CC3)cc1	ZINC000009554029	569546784	/nfs/dbraw/zinc/54/67/84/569546784.db2.gz	OWRKPKPZGNGHLY-UHFFFAOYSA-N	0	0	434.653	6.242	50	30		IKEARN
C=CCn1c2ccccc2n2c1nc(-c1ccc(Cl)cc1)c2C(=S)Nc1ccccc1	ZINC000009554104	569546787	/nfs/dbraw/zinc/54/67/87/569546787.db2.gz	BWYSGPBOSPPESR-UHFFFAOYSA-N	0	0	442.975	6.583	50	30		IKEARN
C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000009583852	569549346	/nfs/dbraw/zinc/54/93/46/569549346.db2.gz	BNOJJRVSBBMYQX-CQSZACIVSA-N	0	0	428.579	5.169	50	30		IKEARN
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccc[nH]1	ZINC000009583757	569549356	/nfs/dbraw/zinc/54/93/56/569549356.db2.gz	RQVMCKBECMXPHM-UHFFFAOYSA-N	0	0	430.533	5.013	50	30		IKEARN
C=CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2sc(C)c(C)c2c1=O	ZINC000009585839	569549551	/nfs/dbraw/zinc/54/95/51/569549551.db2.gz	PZSXOWOQURUUFS-UHFFFAOYSA-N	0	0	444.969	5.257	50	30		IKEARN
COc1ccc(Cl)cc1NC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000009588033	569549815	/nfs/dbraw/zinc/54/98/15/569549815.db2.gz	ZBVKHAFBHDAPNL-UHFFFAOYSA-N	0	0	436.924	5.060	50	30		IKEARN
N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1	ZINC000009587984	569549847	/nfs/dbraw/zinc/54/98/47/569549847.db2.gz	AGENGHALSWCYOG-UHFFFAOYSA-N	0	0	441.557	5.253	50	30		IKEARN
COc1ccc([C@H]2N(c3cccc(Br)c3)OC(=O)N2c2ccccc2)cc1	ZINC000009593522	569550469	/nfs/dbraw/zinc/55/04/69/569550469.db2.gz	BBNMSOYZZDBMLU-HXUWFJFHSA-N	0	0	425.282	5.535	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597322	569550867	/nfs/dbraw/zinc/55/08/67/569550867.db2.gz	HQBKRZPRWVGCDG-OAQYLSRUSA-N	0	0	431.967	6.493	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597381	569550965	/nfs/dbraw/zinc/55/09/65/569550965.db2.gz	YVUYQXCLOWMDBF-FQEVSTJZSA-N	0	0	433.939	5.939	50	30		IKEARN
CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009602022	569551651	/nfs/dbraw/zinc/55/16/51/569551651.db2.gz	IOCCMMVEIYNIQY-JOCHJYFZSA-N	0	0	447.970	5.323	50	30		IKEARN
CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009602021	569551689	/nfs/dbraw/zinc/55/16/89/569551689.db2.gz	IOCCMMVEIYNIQY-QFIPXVFZSA-N	0	0	447.970	5.323	50	30		IKEARN
CCCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000009608863	569552237	/nfs/dbraw/zinc/55/22/37/569552237.db2.gz	SFNQSRDYNIYEOC-IBGZPJMESA-N	0	0	437.609	5.561	50	30		IKEARN
CCCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000009608867	569552257	/nfs/dbraw/zinc/55/22/57/569552257.db2.gz	SFNQSRDYNIYEOC-LJQANCHMSA-N	0	0	437.609	5.561	50	30		IKEARN
Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@@](O)(CC(=O)C=Cc2ccco2)C1=O	ZINC000009614543	569553116	/nfs/dbraw/zinc/55/31/16/569553116.db2.gz	BQKIQGPTTKVGSV-QSRYBZNWSA-N	0	0	429.516	5.118	50	30		IKEARN
COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)n2C2CCCCC2)cc1	ZINC000009631718	569553808	/nfs/dbraw/zinc/55/38/08/569553808.db2.gz	YNVCQAOINJBBIL-UHFFFAOYSA-N	0	0	447.564	5.061	50	30		IKEARN
Cc1cc(C)c(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)c(C)c1	ZINC000009632939	569554145	/nfs/dbraw/zinc/55/41/45/569554145.db2.gz	LMXSYDDNSBAMPW-UHFFFAOYSA-N	0	0	430.529	5.430	50	30		IKEARN
C[C@@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009635400	569554687	/nfs/dbraw/zinc/55/46/87/569554687.db2.gz	FFZKFMIQVLCTMD-JTQLQIEISA-N	0	0	443.281	6.264	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl	ZINC000009678672	569559683	/nfs/dbraw/zinc/55/96/83/569559683.db2.gz	NAUAFWKKQMTFAE-HSZRJFAPSA-N	0	0	429.347	6.300	50	30		IKEARN
CCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1	ZINC000009679858	569559883	/nfs/dbraw/zinc/55/98/83/569559883.db2.gz	DUMHKXNXSGAPIM-KOEQRZSOSA-N	0	0	432.549	5.306	50	30		IKEARN
C=CCn1c(SCCOc2c(Cl)cccc2Cl)nnc1-c1ccccc1OC	ZINC000009711733	569562047	/nfs/dbraw/zinc/56/20/47/569562047.db2.gz	JSVOHHVCVWAZFT-UHFFFAOYSA-N	0	0	436.364	5.618	50	30		IKEARN
Fc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1	ZINC000009720418	569563270	/nfs/dbraw/zinc/56/32/70/569563270.db2.gz	SCTWQVPNWBPYEK-JVWAILMASA-N	0	0	429.520	5.878	50	30		IKEARN
CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(OC)c2)C2=C1CC(C)(C)CC2=O	ZINC000009731348	569564559	/nfs/dbraw/zinc/56/45/59/569564559.db2.gz	PCDBKVZJQHMANF-UHFFFAOYSA-N	0	0	437.580	5.496	50	30		IKEARN
COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21	ZINC000009731824	569564720	/nfs/dbraw/zinc/56/47/20/569564720.db2.gz	RPFCIOZSOQYZED-NRFANRHFSA-N	0	0	434.927	5.265	50	30		IKEARN
Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(N(C)C)cc1	ZINC000009761269	569566189	/nfs/dbraw/zinc/56/61/89/569566189.db2.gz	XSIUJHPKASYGPA-HSZRJFAPSA-N	0	0	446.934	5.497	50	30		IKEARN
Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000009761130	569566227	/nfs/dbraw/zinc/56/62/27/569566227.db2.gz	XSIUJHPKASYGPA-QHCPKHFHSA-N	0	0	446.934	5.497	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(F)cc1	ZINC000009761171	569566231	/nfs/dbraw/zinc/56/62/31/569566231.db2.gz	DNJULKZQAGXJOT-ZLNRFVROSA-N	0	0	425.488	5.171	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1	ZINC000009762925	569566511	/nfs/dbraw/zinc/56/65/11/569566511.db2.gz	VNZAXTWKFAUXCE-CQSZACIVSA-N	0	0	429.586	5.427	50	30		IKEARN
N#Cc1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1NC(=O)c1ccccc1	ZINC000009763726	569566661	/nfs/dbraw/zinc/56/66/61/569566661.db2.gz	RYDPMVYGWXEQEZ-UHFFFAOYSA-N	0	0	431.520	6.754	50	30		IKEARN
CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2c1=O	ZINC000009775425	569566933	/nfs/dbraw/zinc/56/69/33/569566933.db2.gz	NHKQNVPXIJGBCE-UHFFFAOYSA-N	0	0	440.956	5.108	50	30		IKEARN
CCCCCn1c(SCC#N)nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2c1=O	ZINC000009775430	569566936	/nfs/dbraw/zinc/56/69/36/569566936.db2.gz	BGHJXMKAJKNRHN-UHFFFAOYSA-N	0	0	434.565	5.072	50	30		IKEARN
C=CCn1c(SCC(=O)N2CCSc3ccccc32)nnc1-c1ccc(Cl)cc1	ZINC000009767643	569566953	/nfs/dbraw/zinc/56/69/53/569566953.db2.gz	GGCBQTSIKCAZDC-UHFFFAOYSA-N	0	0	442.997	5.016	50	30		IKEARN
Cc1cc(C)cc(NC(=O)c2ccc3c(c2)nc(SCC#N)n(C2CCCCC2)c3=O)c1	ZINC000009775402	569566969	/nfs/dbraw/zinc/56/69/69/569566969.db2.gz	LHDSCSKCFULWAZ-UHFFFAOYSA-N	0	0	446.576	5.387	50	30		IKEARN
Cc1cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)no1	ZINC000009781320	569567565	/nfs/dbraw/zinc/56/75/65/569567565.db2.gz	LGCKLTBPPPNSKH-UHFFFAOYSA-N	0	0	440.528	5.623	50	30		IKEARN
Cc1c(C)n(Cc2cccs2)c(NC(=O)CSc2ccc3ccccc3n2)c1C#N	ZINC000009847321	569571142	/nfs/dbraw/zinc/57/11/42/569571142.db2.gz	HTQIBSPRUUGRDI-UHFFFAOYSA-N	0	0	432.574	5.365	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N/c3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C#N)cc1	ZINC000009850045	569571368	/nfs/dbraw/zinc/57/13/68/569571368.db2.gz	UZZCPPWEQNVDDW-WSDLNYQXSA-N	0	0	446.963	5.819	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861339	569571969	/nfs/dbraw/zinc/57/19/69/569571969.db2.gz	YWXRZJRAAOSIAX-QHCPKHFHSA-N	0	0	429.347	6.300	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1c(F)cccc1Cl)N2	ZINC000009861361	569572021	/nfs/dbraw/zinc/57/20/21/569572021.db2.gz	ZUEWCCDXEGVPEP-VWLOTQADSA-N	0	0	446.909	6.296	50	30		IKEARN
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)cc2)c1	ZINC000009875622	569572631	/nfs/dbraw/zinc/57/26/31/569572631.db2.gz	DYZUMHIMYGFUHC-UHFFFAOYSA-N	0	0	444.915	5.113	50	30		IKEARN
COc1ccc(NC(=O)c2c3c(sc2/N=C/c2cccc(F)c2)CCCC3)c(OC)c1	ZINC000009907618	569573151	/nfs/dbraw/zinc/57/31/51/569573151.db2.gz	KUFUSXIITMJVQI-VULFUBBASA-N	0	0	438.524	5.786	50	30		IKEARN
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)c1	ZINC000009907678	569573180	/nfs/dbraw/zinc/57/31/80/569573180.db2.gz	CXFLXFSHLTVOFN-AFUMVMLFSA-N	0	0	436.533	5.266	50	30		IKEARN
CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@H](C)C3)cc1	ZINC000009907620	569573194	/nfs/dbraw/zinc/57/31/94/569573194.db2.gz	FCEQIHZOIAIOKH-ZXSUQFSISA-N	0	0	436.552	6.414	50	30		IKEARN
COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@@H](C)C2	ZINC000009907625	569573199	/nfs/dbraw/zinc/57/31/99/569573199.db2.gz	GRBPHZITUAMPKJ-AKBIMGJMSA-N	0	0	447.604	5.950	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2	ZINC000009942368	569574023	/nfs/dbraw/zinc/57/40/23/569574023.db2.gz	KQQLEXWUKMHFIH-SFHVURJKSA-N	0	0	447.402	5.345	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)c1	ZINC000009952384	569574589	/nfs/dbraw/zinc/57/45/89/569574589.db2.gz	GEUJFTQBHAWLKX-UHFFFAOYSA-N	0	0	437.524	5.695	50	30		IKEARN
C=CCn1c(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1	ZINC000009952130	569574596	/nfs/dbraw/zinc/57/45/96/569574596.db2.gz	NGHSVYGPDVNHKI-MRXNPFEDSA-N	0	0	449.605	5.053	50	30		IKEARN
N#Cc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1	ZINC000071327656	569575377	/nfs/dbraw/zinc/57/53/77/569575377.db2.gz	JGEDBMFYYWWTOP-UHFFFAOYSA-N	0	0	437.977	5.518	50	30		IKEARN
COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1	ZINC000009971260	569576305	/nfs/dbraw/zinc/57/63/05/569576305.db2.gz	HUYXGJWAGCRFOS-MHHKKEGSSA-N	0	0	426.516	6.241	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(CC)sc1SCC	ZINC000009982589	569576545	/nfs/dbraw/zinc/57/65/45/569576545.db2.gz	BSSAIYMLNNQSCM-IBGZPJMESA-N	0	0	433.639	5.590	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Br)c2)nnc1C1CCCCC1	ZINC000009983864	569576589	/nfs/dbraw/zinc/57/65/89/569576589.db2.gz	NTCQMMWQONEJEG-UHFFFAOYSA-N	0	0	435.391	5.005	50	30		IKEARN
N#Cc1c(SC[S@@](=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1	ZINC000009993105	569576926	/nfs/dbraw/zinc/57/69/26/569576926.db2.gz	ZNWZQLDLWBXZEE-SSEXGKCCSA-N	0	0	446.622	6.347	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000009993305	569576928	/nfs/dbraw/zinc/57/69/28/569576928.db2.gz	KBUZBABDLMXTCF-FQEVSTJZSA-N	0	0	446.915	5.733	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1)c1ccccc1	ZINC000009993304	569576935	/nfs/dbraw/zinc/57/69/35/569576935.db2.gz	KBUZBABDLMXTCF-HXUWFJFHSA-N	0	0	446.915	5.733	50	30		IKEARN
N#Cc1c(NC(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)sc2c1CCCC2	ZINC000010021612	569577150	/nfs/dbraw/zinc/57/71/50/569577150.db2.gz	CJZMIMPHRJCRGR-UHFFFAOYSA-N	0	0	448.928	5.301	50	30		IKEARN
C[C@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000010022523	569577276	/nfs/dbraw/zinc/57/72/76/569577276.db2.gz	TXOUNTYLZDPTCN-ZDUSSCGKSA-N	0	0	430.599	5.439	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2ccc(C(C)=O)cc2)n2c3ccccc3nc2c1C#N	ZINC000010233848	569579631	/nfs/dbraw/zinc/57/96/31/569579631.db2.gz	UYNSPCRRHUUULH-UHFFFAOYSA-N	0	0	442.544	5.245	50	30		IKEARN
C=CCn1c(SCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	ZINC000010240473	569579736	/nfs/dbraw/zinc/57/97/36/569579736.db2.gz	WFJIPMXVPDBLCP-HNNXBMFYSA-N	0	0	444.963	5.235	50	30		IKEARN
Cc1c(C=NN=c2[nH]c3ccccc3s2)c2cc(C)ccc2n1Cc1ccccc1Cl	ZINC000001848535	569583080	/nfs/dbraw/zinc/58/30/80/569583080.db2.gz	ADGWLKZNTRFKKD-MZJWZYIUSA-N	0	0	444.991	7.016	50	30		IKEARN
Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(Br)cc1	ZINC000017195397	569583169	/nfs/dbraw/zinc/58/31/69/569583169.db2.gz	RNKFCDFKWWMQPM-WSDLNYQXSA-N	0	0	425.355	5.912	50	30		IKEARN
Cc1cccc(OCCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1	ZINC000002594785	569584472	/nfs/dbraw/zinc/58/44/72/569584472.db2.gz	CIMQPJOLYZRDCV-WPWMEQJKSA-N	0	0	440.572	6.475	50	30		IKEARN
Clc1ccccc1OCCn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21	ZINC000001840671	569585053	/nfs/dbraw/zinc/58/50/53/569585053.db2.gz	BBASBMXLZOUREY-CVKSISIWSA-N	0	0	446.963	6.429	50	30		IKEARN
N#Cc1ccc(COCC2CCN(C(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1	ZINC000077191717	569586004	/nfs/dbraw/zinc/58/60/04/569586004.db2.gz	PJCMATRNIZNWFU-UHFFFAOYSA-N	0	0	439.559	5.286	50	30		IKEARN
COc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000018182234	121840498	/nfs/dbraw/zinc/84/04/98/121840498.db2.gz	YNYOPHJNYDOHFX-JHXFIANCSA-N	0	0	430.529	5.074	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N/Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000022022899	122287081	/nfs/dbraw/zinc/28/70/81/122287081.db2.gz	BKSBJZRIXRIOKB-PHSRYYMBSA-N	0	0	444.556	5.464	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(F)cc1	ZINC000030738697	122584840	/nfs/dbraw/zinc/58/48/40/122584840.db2.gz	WFTROEHQCDJWQO-YJOHERITSA-N	0	0	427.570	5.990	50	30		IKEARN
CCN1c2ccccc2S/C1=C1\S/C(=N\C2CCCCC2)N(c2ccc(C)cc2)C1=O	ZINC000100202049	123466516	/nfs/dbraw/zinc/46/65/16/123466516.db2.gz	SYXXEDPXRNHKLT-SLJQUXCSSA-N	0	0	449.645	6.565	50	30		IKEARN
Cc1cc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCCC4)n2c2ccccc12	ZINC000000628291	193862361	/nfs/dbraw/zinc/86/23/61/193862361.db2.gz	ISUOZFJEVVUDDI-UHFFFAOYSA-N	0	0	447.589	5.124	50	30		IKEARN
CC(C)CCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N	ZINC000000637575	193866031	/nfs/dbraw/zinc/86/60/31/193866031.db2.gz	AFIYHTHTXLEGNP-UHFFFAOYSA-N	0	0	433.899	5.085	50	30		IKEARN
Cc1nn(-c2ccccc2)c2nc(OCC(=O)c3ccccc3)c(C#N)c(-c3ccccc3)c12	ZINC000000642409	193868104	/nfs/dbraw/zinc/86/81/04/193868104.db2.gz	GWVWZXGAZNQJQP-UHFFFAOYSA-N	0	0	444.494	5.529	50	30		IKEARN
CC[C@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000000663954	193877487	/nfs/dbraw/zinc/87/74/87/193877487.db2.gz	RSFSCTBSJSRHFF-HNNXBMFYSA-N	0	0	447.526	5.204	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3ccc4c(c3)OCO4)ccc2C#N)cc1Cl	ZINC000000662217	193876933	/nfs/dbraw/zinc/87/69/33/193876933.db2.gz	DLFDUNGDCYEUMX-UHFFFAOYSA-N	0	0	437.908	5.042	50	30		IKEARN
N#Cc1c2c(c(NCc3ccccc3)nc1N1CCCCC1)CN(Cc1ccccc1)CC2	ZINC000002252026	132250048	/nfs/dbraw/zinc/25/00/48/132250048.db2.gz	VGOKXYBOJJWBQV-UHFFFAOYSA-N	0	0	437.591	5.114	50	30		IKEARN
Cc1c(C#N)sc2nc(-c3ccccc3)nc(N3CCN(c4ccc(F)cc4)CC3)c12	ZINC000002836408	132257363	/nfs/dbraw/zinc/25/73/63/132257363.db2.gz	ZAGQSVHLADELBB-UHFFFAOYSA-N	0	0	429.524	5.004	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)CCN3c4ccccc4Sc4ccccc43)cc2)cc1	ZINC000003279711	132263075	/nfs/dbraw/zinc/26/30/75/132263075.db2.gz	JBQUPEHAOQTTJS-UHFFFAOYSA-N	0	0	448.547	6.824	50	30		IKEARN
Cc1ccc(N2C(=O)c3ccccc3C(=CNc3sc4c(c3C#N)CCC4)C2=O)cc1C	ZINC000003415023	132265080	/nfs/dbraw/zinc/26/50/80/132265080.db2.gz	NUSQONFVJCOGOE-HMAPJEAMSA-N	0	0	439.540	5.365	50	30		IKEARN
COc1ccc(C2=C(N3CCN(c4cc(Cl)ccc4C)CC3)c3ccccc3C2=O)cc1	ZINC000008594444	132284470	/nfs/dbraw/zinc/28/44/70/132284470.db2.gz	VHKUGPWOSWDIPQ-UHFFFAOYSA-N	0	0	444.962	5.544	50	30	aggregator	IKEARN
Cc1ccc(N2C(=O)N[C@H](c3ccc(C#N)cc3)C(C(=O)Nc3ccccc3C)=C2C)cc1	ZINC000009516923	132320114	/nfs/dbraw/zinc/32/01/14/132320114.db2.gz	UBMGMVHAONPSAE-RUZDIDTESA-N	0	0	436.515	5.359	50	30		IKEARN
Cc1c2c(ccc1OCc1ccc(F)cc1Cl)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000008992515	518186193	/nfs/dbraw/zinc/18/61/93/518186193.db2.gz	YWQRRXJPLFBIDQ-BHGWPJFGSA-N	0	0	447.893	6.474	50	30		IKEARN
Brc1ccc(-c2csc(N=NC(c3ccccc3)c3ccccc3)n2)cc1	ZINC000013302868	518208509	/nfs/dbraw/zinc/20/85/09/518208509.db2.gz	COTJFVYEFRVGEW-UHFFFAOYSA-N	0	0	434.362	6.437	50	30		IKEARN
C#CCN(Cc1ccc(OC(=O)OC(C)(C)C)c(OC)c1)Cc1ccc2ccccc2n1	ZINC000096009226	518260007	/nfs/dbraw/zinc/26/00/07/518260007.db2.gz	ZNGHIYLDRMOFSN-UHFFFAOYSA-N	0	0	432.520	5.193	50	30		IKEARN
C#CCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1	ZINC000008857054	518339013	/nfs/dbraw/zinc/33/90/13/518339013.db2.gz	AFUOVZAIWWLGGW-UHFFFAOYSA-N	0	0	436.624	7.440	50	30		IKEARN
C/C(=N/N(C)c1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1	ZINC000012342839	518449154	/nfs/dbraw/zinc/44/91/54/518449154.db2.gz	XGEQYKKCOQNCMG-LQNQUEJISA-N	0	0	447.369	6.978	50	30		IKEARN
C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C	ZINC000035843483	518456504	/nfs/dbraw/zinc/45/65/04/518456504.db2.gz	WSMKQFMANYJLSX-FSGOGVSDSA-N	0	0	446.953	7.494	50	30		IKEARN
C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843457	518457058	/nfs/dbraw/zinc/45/70/58/518457058.db2.gz	OJOHSUKQPKSHQM-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N/OCc1ccccc1C)c1cc(-c2ccccc2)n(-c2cccc(Cl)c2)c1C	ZINC000035843374	518457281	/nfs/dbraw/zinc/45/72/81/518457281.db2.gz	MEXXIZJGCVLWJD-BRPDVVIDSA-N	0	0	428.963	7.355	50	30		IKEARN
C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C	ZINC000035843421	518457317	/nfs/dbraw/zinc/45/73/17/518457317.db2.gz	YISYRLZZSUGDDM-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000035238180	518459101	/nfs/dbraw/zinc/45/91/01/518459101.db2.gz	BKLPEKOJKKUVLX-VNSNFZHPSA-N	0	0	438.358	5.761	50	30		IKEARN
CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)c(Cl)c1	ZINC000012343300	518463849	/nfs/dbraw/zinc/46/38/49/518463849.db2.gz	XSGACTQCKMZITC-MUFRIFMGSA-N	0	0	433.342	6.954	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccccc1Br	ZINC000043761280	518466441	/nfs/dbraw/zinc/46/64/41/518466441.db2.gz	XGWXJOUEENXVOJ-LSHDLFTRSA-N	0	0	441.181	6.716	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000011614469	518549638	/nfs/dbraw/zinc/54/96/38/518549638.db2.gz	RSYYMMUXQNEIOU-AJGZSZGKSA-N	0	0	437.539	7.461	50	30		IKEARN
C/N=C1/S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C	ZINC000210973426	518571648	/nfs/dbraw/zinc/57/16/48/518571648.db2.gz	NOGLDMOKBGVJSZ-MICMYVEHSA-N	0	0	425.312	5.243	50	30		IKEARN
C=C(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000080720271	518587528	/nfs/dbraw/zinc/58/75/28/518587528.db2.gz	CDXFIRXEAJABAZ-UHFFFAOYSA-N	0	0	432.176	5.235	50	30		IKEARN
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(C(F)(F)F)cc2)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12	ZINC000012364933	518595141	/nfs/dbraw/zinc/59/51/41/518595141.db2.gz	STMQGGLWSSQXCU-BDTNDASRSA-N	0	0	449.476	5.848	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccc([N+](=O)[O-])cc1O[C@@H]2c1ccccc1	ZINC000008855063	518596645	/nfs/dbraw/zinc/59/66/45/518596645.db2.gz	WRCJNJHZYXADIT-XMMPIXPASA-N	0	0	446.547	6.407	50	30		IKEARN
CC(C)(C)C1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O	ZINC000095670513	518597377	/nfs/dbraw/zinc/59/73/77/518597377.db2.gz	VEDXDZRQOYXKTL-UHFFFAOYSA-N	0	0	434.664	7.895	50	30		IKEARN
C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3cccc4ncccc43)c(C)c2cc1Cl	ZINC000013627657	518610781	/nfs/dbraw/zinc/61/07/81/518610781.db2.gz	NPZICUVVBGXWIT-UHFFFAOYSA-N	0	0	448.906	5.439	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3	ZINC000001243898	518625731	/nfs/dbraw/zinc/62/57/31/518625731.db2.gz	OMXRYZCXEOMXIB-GOSISDBHSA-N	0	0	426.607	5.521	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002292079	518625739	/nfs/dbraw/zinc/62/57/39/518625739.db2.gz	YEIHTDXYIZTGEG-UHFFFAOYSA-N	0	0	442.628	6.634	50	30	biogenic	IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)SC3	ZINC000002280225	518625809	/nfs/dbraw/zinc/62/58/09/518625809.db2.gz	ACQMVYIAYUTQEN-UHFFFAOYSA-N	0	0	428.648	5.992	50	30		IKEARN
C=C(C)CSc1nnc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1	ZINC000012872208	518627317	/nfs/dbraw/zinc/62/73/17/518627317.db2.gz	PMAYXGWAJWGKOJ-IBGZPJMESA-N	0	0	441.647	6.295	50	30		IKEARN
C=C(Cl)COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12	ZINC000012693828	518650523	/nfs/dbraw/zinc/65/05/23/518650523.db2.gz	WIOOMJATZXGVOX-UHFFFAOYSA-N	0	0	432.303	5.138	50	30		IKEARN
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000038253912	518657338	/nfs/dbraw/zinc/65/73/38/518657338.db2.gz	ZGLHBRQAEXKACO-YEKXXYMTSA-N	0	0	428.657	5.727	50	30	in-vivo	IKEARN
C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)[C@@H](c2ccccc2)C2CCCC2)C1(C)C	ZINC000013463816	518666854	/nfs/dbraw/zinc/66/68/54/518666854.db2.gz	RAMYAZFESKGKCS-NHKLCZRASA-N	0	0	434.605	6.524	50	30		IKEARN
C=CCCC(=O)N[C@@H](C)c1nnc(SCC2CCCCC2)n1-c1cccc(Cl)c1	ZINC000012242910	518696743	/nfs/dbraw/zinc/69/67/43/518696743.db2.gz	JKSADICZNIGJLM-INIZCTEOSA-N	0	0	433.021	5.737	50	30		IKEARN
C=CCCC(=O)NCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1C	ZINC000012152668	518696885	/nfs/dbraw/zinc/69/68/85/518696885.db2.gz	HNZYPSWVPFNOGG-UHFFFAOYSA-N	0	0	426.973	5.104	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2ccc(C)s2)C[C@@H]2CCCO2)o1	ZINC000036203562	518697588	/nfs/dbraw/zinc/69/75/88/518697588.db2.gz	AZNSZVCTZFAKBK-NRFANRHFSA-N	0	0	429.626	5.951	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2OC)C(C)C)o1	ZINC000036202362	518697926	/nfs/dbraw/zinc/69/79/26/518697926.db2.gz	JEAGDSGHAHMEPR-UHFFFAOYSA-N	0	0	427.585	5.827	50	30		IKEARN
C=CCN(C(=O)[C@@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1	ZINC000015733517	518735530	/nfs/dbraw/zinc/73/55/30/518735530.db2.gz	MVQSRWDLEALRBD-LJQANCHMSA-N	0	0	425.488	5.390	50	30		IKEARN
C=CCN(C(=O)c1cc2sc(N(CC)CC)nc2s1)c1nc2c(s1)CCCC2	ZINC000040155152	518737644	/nfs/dbraw/zinc/73/76/44/518737644.db2.gz	ZXLQZMIVFUAXGK-UHFFFAOYSA-N	0	0	432.640	5.372	50	30		IKEARN
C=CCN(CC(=O)N(Cc1sccc1C)Cc1ccc(F)cc1)C(=O)CCCCCC	ZINC000035774430	518745593	/nfs/dbraw/zinc/74/55/93/518745593.db2.gz	VRQMLFSGYNXRSF-UHFFFAOYSA-N	0	0	444.616	5.709	50	30		IKEARN
C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2c[nH]c3ccccc32)n1C1CC1	ZINC000009593772	518790083	/nfs/dbraw/zinc/79/00/83/518790083.db2.gz	CUHFVQBNVNHWRZ-UHFFFAOYSA-N	0	0	449.605	5.130	50	30		IKEARN
C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(OC)cc1	ZINC000036106144	518795262	/nfs/dbraw/zinc/79/52/62/518795262.db2.gz	MKPQZMPUSMEADH-UHFFFAOYSA-N	0	0	436.577	5.484	50	30		IKEARN
C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1cccc(OC)c1	ZINC000036105158	518796758	/nfs/dbraw/zinc/79/67/58/518796758.db2.gz	LDGNEYXEQYVWQL-UHFFFAOYSA-N	0	0	436.577	5.683	50	30		IKEARN
C=CCN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccc(Cl)cc1	ZINC000035981352	518800065	/nfs/dbraw/zinc/80/00/65/518800065.db2.gz	XFGADRVFHJGZCV-UHFFFAOYSA-N	0	0	433.861	5.432	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCc2c(Cl)cccc2Cl)SC1=S	ZINC000012285467	518828191	/nfs/dbraw/zinc/82/81/91/518828191.db2.gz	JOGOVARKRNQNBZ-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)SC1=S	ZINC000012343688	518832059	/nfs/dbraw/zinc/83/20/59/518832059.db2.gz	HHBYSUIXVDXTBR-WOJGMQOQSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S	ZINC000012343720	518833403	/nfs/dbraw/zinc/83/34/03/518833403.db2.gz	GJPFNTOSGVRMJI-WOJGMQOQSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S	ZINC000012343718	518833680	/nfs/dbraw/zinc/83/36/80/518833680.db2.gz	BNQCOUHNXZVGDO-HMMYKYKNSA-N	0	0	445.993	5.575	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OCCCOc2cccc(C)c2)SC1=S	ZINC000022242032	518834577	/nfs/dbraw/zinc/83/45/77/518834577.db2.gz	CWURBLNKVQJTKZ-LTGZKZEYSA-N	0	0	425.575	5.230	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)SC1=S	ZINC000012343723	518834647	/nfs/dbraw/zinc/83/46/47/518834647.db2.gz	AQTGFZYVSHVTSY-VCHYOVAHSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1	ZINC000008743590	518837215	/nfs/dbraw/zinc/83/72/15/518837215.db2.gz	SUUOKAQVXPRLDV-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1	ZINC000006142065	518847219	/nfs/dbraw/zinc/84/72/19/518847219.db2.gz	PZZFPISBOBBHCJ-IFRDHECKSA-N	0	0	448.375	5.065	50	30		IKEARN
C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O	ZINC000004910504	518871302	/nfs/dbraw/zinc/87/13/02/518871302.db2.gz	JFCBJJQXBQGVQF-UNMCSNQZSA-N	0	0	431.580	5.521	50	30		IKEARN
C=CCNC(=O)c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1	ZINC000037542231	518933235	/nfs/dbraw/zinc/93/32/35/518933235.db2.gz	YNPMTDYGDSCRGD-UHFFFAOYSA-N	0	0	443.288	5.448	50	30		IKEARN
C=CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2	ZINC000002912920	518937702	/nfs/dbraw/zinc/93/77/02/518937702.db2.gz	BMLGVMAWAPMFMM-UHFFFAOYSA-N	0	0	434.948	5.567	50	30		IKEARN
C=CCNc1nc(Nc2cccc3ccccc32)nc(OC(C(F)(F)F)C(F)(F)F)n1	ZINC000002495666	518965155	/nfs/dbraw/zinc/96/51/55/518965155.db2.gz	QHWRQNDPIAMTEX-UHFFFAOYSA-N	0	0	443.351	5.238	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccc(Cl)cc1	ZINC000037577362	518969207	/nfs/dbraw/zinc/96/92/07/518969207.db2.gz	BSECAYXAXSLNAE-SFHVURJKSA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccccc1Cl	ZINC000037280140	518969606	/nfs/dbraw/zinc/96/96/06/518969606.db2.gz	BXVCNSLZTHRPOM-LJQANCHMSA-N	0	0	430.331	5.513	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000037577358	518969705	/nfs/dbraw/zinc/96/97/05/518969705.db2.gz	DTKAPPZHIJKIGF-NRFANRHFSA-N	0	0	443.465	5.533	50	30		IKEARN
C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1cc(C)cc(C)c1)c2=O	ZINC000001777113	518975732	/nfs/dbraw/zinc/97/57/32/518975732.db2.gz	ARFHGHWYFBPQBN-UHFFFAOYSA-N	0	0	434.366	5.922	50	30		IKEARN
C=CCOC(=O)c1c(N)oc2c1cc1oc(N)c(C(=O)OCC=C)c1c2-c1ccc(C)cc1	ZINC000001782052	518977390	/nfs/dbraw/zinc/97/73/90/518977390.db2.gz	KVIMBKUZZUSEOD-UHFFFAOYSA-N	0	0	446.459	5.004	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)cc1OCC	ZINC000015010792	519003211	/nfs/dbraw/zinc/00/32/11/519003211.db2.gz	CECUMLHDOIRQEK-WQRHYEAKSA-N	0	0	446.981	5.100	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000002164852	519003415	/nfs/dbraw/zinc/00/34/15/519003415.db2.gz	XFGBGNKWVWVKLQ-YVLHZVERSA-N	0	0	436.316	5.808	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC	ZINC000033349265	519004321	/nfs/dbraw/zinc/00/43/21/519004321.db2.gz	UDGAXPRWOLJBBQ-XDHOZWIPSA-N	0	0	447.915	5.679	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC	ZINC000002161875	519004619	/nfs/dbraw/zinc/00/46/19/519004619.db2.gz	UOGUPGAITPLEMD-WQRHYEAKSA-N	0	0	433.888	5.289	50	30		IKEARN
C=CCOc1ccc(/C=C(/Cl)c2nnc(C(=O)NCc3ccc(C)cc3)s2)cc1	ZINC000097003045	519011135	/nfs/dbraw/zinc/01/11/35/519011135.db2.gz	HXXFQLGKLAWEKU-CPNJWEJPSA-N	0	0	425.941	5.078	50	30		IKEARN
C=CCOc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C	ZINC000002080972	519015320	/nfs/dbraw/zinc/01/53/20/519015320.db2.gz	XJNSOQAZJDGWSF-NVMNQCDNSA-N	0	0	431.822	5.092	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCCC)cc2)cc1	ZINC000012194208	519029766	/nfs/dbraw/zinc/02/97/66/519029766.db2.gz	XDMYLYYKULHGBB-IXCJQBJRSA-N	0	0	440.543	6.283	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000012194255	519029876	/nfs/dbraw/zinc/02/98/76/519029876.db2.gz	FJEKASOJDJPVBY-KCWPFWIISA-N	0	0	442.515	5.511	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC=C)cc2)cc1	ZINC000012194251	519030428	/nfs/dbraw/zinc/03/04/28/519030428.db2.gz	SIXRAWDDQDJTPY-IXCJQBJRSA-N	0	0	438.527	6.059	50	30		IKEARN
CC(C)(C)c1ccc(CSCCNC2=CC(=O)C[C@@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000019880101	519031688	/nfs/dbraw/zinc/03/16/88/519031688.db2.gz	RLFDRMULMPLOKN-FQEVSTJZSA-N	0	0	437.605	5.566	50	30		IKEARN
CC(C)(C)c1ccc(OCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1	ZINC000012523339	519040018	/nfs/dbraw/zinc/04/00/18/519040018.db2.gz	TYRPHZDJNMOFLK-UHFFFAOYSA-N	0	0	432.520	5.047	50	30		IKEARN
CC(C)(C)c1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C#N)cc3)cc2[N+](=O)[O-])cc1	ZINC000016035540	519041858	/nfs/dbraw/zinc/04/18/58/519041858.db2.gz	IXEFSCWAUIVULW-MKMNVTDBSA-N	0	0	426.472	6.452	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1	ZINC000008869470	519044756	/nfs/dbraw/zinc/04/47/56/519044756.db2.gz	SLFKMUZAMXAILW-HSZRJFAPSA-N	0	0	427.456	5.005	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000002253687	519047401	/nfs/dbraw/zinc/04/74/01/519047401.db2.gz	LQMBVFJCDKIJOG-OAQYLSRUSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC	ZINC000046076270	519048903	/nfs/dbraw/zinc/04/89/03/519048903.db2.gz	LAZCWWLVENINBA-LJQANCHMSA-N	0	0	435.545	5.861	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000009236058	519049183	/nfs/dbraw/zinc/04/91/83/519049183.db2.gz	YKQAWPGEECCHEK-QHCPKHFHSA-N	0	0	426.516	5.158	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1	ZINC000002420663	519049606	/nfs/dbraw/zinc/04/96/06/519049606.db2.gz	PKOYRACQFYEDOR-VWLOTQADSA-N	0	0	429.541	5.532	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1	ZINC000002416938	519059607	/nfs/dbraw/zinc/05/96/07/519059607.db2.gz	RZWGJNIUSNQWAG-JOCHJYFZSA-N	0	0	444.874	5.156	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)N[C@H](C)CC)n2Cc1ccc(C(F)(F)F)cc1	ZINC000035912881	519063426	/nfs/dbraw/zinc/06/34/26/519063426.db2.gz	HXNWCHLLHIUWOA-MRXNPFEDSA-N	0	0	430.470	5.802	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCc1ccncc1)n2Cc1ccccc1Cl	ZINC000035927896	519064150	/nfs/dbraw/zinc/06/41/50/519064150.db2.gz	XCBGHMFBXQYQBR-UHFFFAOYSA-N	0	0	431.923	5.233	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCc1cccnc1)n2Cc1cccc(Cl)c1	ZINC000035908450	519064337	/nfs/dbraw/zinc/06/43/37/519064337.db2.gz	JOSBKQWMJLDUGJ-UHFFFAOYSA-N	0	0	431.923	5.233	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NC(C)(C)C)n2Cc1ccc(C(F)(F)F)cc1	ZINC000035912880	519064497	/nfs/dbraw/zinc/06/44/97/519064497.db2.gz	XYJMQOFYLDMSMC-UHFFFAOYSA-N	0	0	430.470	5.802	50	30		IKEARN
C=CCSc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000019878695	519077270	/nfs/dbraw/zinc/07/72/70/519077270.db2.gz	YLTJOKCNVJLJPT-UHFFFAOYSA-N	0	0	427.707	5.541	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002054772	519081987	/nfs/dbraw/zinc/08/19/87/519081987.db2.gz	FFVQSGXZVMNIFP-UHFFFAOYSA-N	0	0	428.601	6.244	50	30	biogenic	IKEARN
C=CCSc1nnc(N2C(=O)C[C@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1	ZINC000012402394	519086063	/nfs/dbraw/zinc/08/60/63/519086063.db2.gz	RMTQCMXQADRKFZ-GFCCVEGCSA-N	0	0	431.608	5.041	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000001085932	519148999	/nfs/dbraw/zinc/14/89/99/519148999.db2.gz	SROGWZWKRJBQEJ-BZZOAKBMSA-N	0	0	436.968	5.086	50	30		IKEARN
C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)s/c1=N\c1ccc(C)cc1	ZINC000013764957	519149671	/nfs/dbraw/zinc/14/96/71/519149671.db2.gz	XJRXRAPMVHSRBZ-RQZHXJHFSA-N	0	0	428.626	7.332	50	30		IKEARN
C=CCn1c(-c2cccc([N+](=O)[O-])c2)cnc1SCC(=O)Nc1cccc(Cl)c1	ZINC000044085747	519149701	/nfs/dbraw/zinc/14/97/01/519149701.db2.gz	MSUVKMYIIHQFLO-UHFFFAOYSA-N	0	0	428.901	5.029	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=Nc1ccc(Br)cc1	ZINC000027015986	519150979	/nfs/dbraw/zinc/15/09/79/519150979.db2.gz	ZNWXGYOUWQCIHJ-QOCHGBHMSA-N	0	0	444.354	5.576	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCc1nc2ccccc2s1	ZINC000012566649	519154451	/nfs/dbraw/zinc/15/44/51/519154451.db2.gz	OKSGZACFBSMWLG-UHFFFAOYSA-N	0	0	447.610	6.213	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)-c1ccccc1CC21CCCC1	ZINC000006073551	519156171	/nfs/dbraw/zinc/15/61/71/519156171.db2.gz	JRFWIZQRUXBMMG-UHFFFAOYSA-N	0	0	442.584	5.439	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCc1ccc(Cl)cc1)-c1ccccc1CC21CCCC1	ZINC000013660688	519156452	/nfs/dbraw/zinc/15/64/52/519156452.db2.gz	QMEMSEBRRLXLKM-UHFFFAOYSA-N	0	0	449.019	6.410	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1C	ZINC000002627420	519171105	/nfs/dbraw/zinc/17/11/05/519171105.db2.gz	ZGSZCNPXIKMLAP-UHFFFAOYSA-N	0	0	435.574	5.231	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(C)c1C	ZINC000002209800	519184966	/nfs/dbraw/zinc/18/49/66/519184966.db2.gz	GGRCONCWGJSPSP-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C	ZINC000009307520	519185140	/nfs/dbraw/zinc/18/51/40/519185140.db2.gz	ARCVSBUUGLPUJJ-UHFFFAOYSA-N	0	0	436.581	5.206	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1ccc(Cl)cc1Cl	ZINC000003278601	519185674	/nfs/dbraw/zinc/18/56/74/519185674.db2.gz	SYFAXFCVPCPINH-UHFFFAOYSA-N	0	0	434.392	6.205	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2s1	ZINC000009540323	519185943	/nfs/dbraw/zinc/18/59/43/519185943.db2.gz	HVBRSUZDFJMZNA-UHFFFAOYSA-N	0	0	428.970	5.599	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1csc(-c2ccccc2)n1	ZINC000003274545	519186090	/nfs/dbraw/zinc/18/60/90/519186090.db2.gz	RWLAVUPHRFOZPD-UHFFFAOYSA-N	0	0	448.617	6.021	50	30		IKEARN
C=CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)c1ccc(F)cc1	ZINC000009327922	519187750	/nfs/dbraw/zinc/18/77/50/519187750.db2.gz	DCOQCZBAQNUCAV-UHFFFAOYSA-N	0	0	437.540	5.036	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1	ZINC000002360269	519193597	/nfs/dbraw/zinc/19/35/97/519193597.db2.gz	HBUDVDLJFRZUIY-MRXNPFEDSA-N	0	0	426.611	5.361	50	30		IKEARN
C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@H](C)Oc1ccccc1Cl	ZINC000019648420	519206333	/nfs/dbraw/zinc/20/63/33/519206333.db2.gz	JPIXIAMXHWIBGF-INIZCTEOSA-N	0	0	449.020	5.189	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2ccccc2o1	ZINC000015018914	519212363	/nfs/dbraw/zinc/21/23/63/519212363.db2.gz	FWIKZCMJVDDXSA-UHFFFAOYSA-N	0	0	438.940	5.570	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(N(CC)CC)cc2)nnc1-c1ccccc1C	ZINC000001049297	519217392	/nfs/dbraw/zinc/21/73/92/519217392.db2.gz	MKJLPCDELOBQKE-UHFFFAOYSA-N	0	0	435.597	5.017	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccnc1	ZINC000013513323	519219417	/nfs/dbraw/zinc/21/94/17/519219417.db2.gz	WIQGSZLRYBLWGP-UHFFFAOYSA-N	0	0	443.532	5.049	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccc(Cl)cc1	ZINC000009479857	519221919	/nfs/dbraw/zinc/22/19/19/519221919.db2.gz	MSPWUMIMGUDSFS-UHFFFAOYSA-N	0	0	434.952	5.669	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cccc(Cl)c1	ZINC000013803889	519222019	/nfs/dbraw/zinc/22/20/19/519222019.db2.gz	AELWBPLERZPSCY-UHFFFAOYSA-N	0	0	434.952	5.669	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1occc1C	ZINC000003351280	519224552	/nfs/dbraw/zinc/22/45/52/519224552.db2.gz	FUFWGUZHRMBFSV-UHFFFAOYSA-N	0	0	430.533	5.430	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nnc1C1CCCCC1	ZINC000013028383	519230205	/nfs/dbraw/zinc/23/02/05/519230205.db2.gz	VIMDWTMXQPRABY-HXUWFJFHSA-N	0	0	442.629	5.084	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(OC)c1	ZINC000009328566	519232374	/nfs/dbraw/zinc/23/23/74/519232374.db2.gz	SNSDCPQYVRGPEL-UHFFFAOYSA-N	0	0	434.348	5.422	50	30		IKEARN
C=CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cc2ccccc2o1	ZINC000057291704	519233383	/nfs/dbraw/zinc/23/33/83/519233383.db2.gz	CCLRUUFWCZAGEI-UHFFFAOYSA-N	0	0	442.544	5.827	50	30		IKEARN
C=CCn1c(SCc2cc(-c3ccc(Cl)cc3Cl)no2)nnc1-c1ccco1	ZINC000022188236	519236851	/nfs/dbraw/zinc/23/68/51/519236851.db2.gz	ODVFOHXYNCYFEP-UHFFFAOYSA-N	0	0	433.320	5.978	50	30		IKEARN
C=CCn1c(SCc2cc3ccc(C)cc3nc2Cl)nnc1-c1ccccc1OC	ZINC000013074696	519238614	/nfs/dbraw/zinc/23/86/14/519238614.db2.gz	VNHPLEWZAXYUTQ-UHFFFAOYSA-N	0	0	436.968	5.942	50	30		IKEARN
C=CCn1c(SCc2ccccc2C)nnc1-c1csc(C)c1-c1ccc(C)cc1	ZINC000017097696	519245811	/nfs/dbraw/zinc/24/58/11/519245811.db2.gz	VUMQAXCVMKNJJE-UHFFFAOYSA-N	0	0	431.630	7.077	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1	ZINC000012819698	519250362	/nfs/dbraw/zinc/25/03/62/519250362.db2.gz	WGDMCVSGBWVNKH-INIZCTEOSA-N	0	0	438.984	5.245	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1	ZINC000008745159	519252078	/nfs/dbraw/zinc/25/20/78/519252078.db2.gz	ZYGKPHHJHQYFNS-SFHVURJKSA-N	0	0	441.560	5.312	50	30		IKEARN
C=CCn1c(S[C@H](C(=O)N2CCCCC2)c2ccccc2)nnc1-c1ccc(F)cc1	ZINC000012695950	519254871	/nfs/dbraw/zinc/25/48/71/519254871.db2.gz	FRGAXTUDEVCHKE-NRFANRHFSA-N	0	0	436.556	5.116	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)nnc1-c1cc2ccccc2o1	ZINC000009329109	519257928	/nfs/dbraw/zinc/25/79/28/519257928.db2.gz	ZAPOLNZUDKAKKH-CQSZACIVSA-N	0	0	439.566	5.070	50	30		IKEARN
C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(N(CC)CC)cc1	ZINC000100874383	519261285	/nfs/dbraw/zinc/26/12/85/519261285.db2.gz	ZWRQJVXASKIBMU-LNVKXUELSA-N	0	0	444.398	5.239	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(C)n(-c4cc(C)on4)c3C)c12	ZINC000012688060	519266039	/nfs/dbraw/zinc/26/60/39/519266039.db2.gz	SGRBVKQBDGAQEO-VAWYXSNFSA-N	0	0	439.519	5.383	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@@H](C)O4)c12	ZINC000012681232	519266445	/nfs/dbraw/zinc/26/64/45/519266445.db2.gz	NQHLJROAYVULNT-FMQWLBJXSA-N	0	0	441.531	5.402	50	30		IKEARN
C=CCn1c2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)c2c(=O)[nH]c1=S	ZINC000020604626	519268748	/nfs/dbraw/zinc/26/87/48/519268748.db2.gz	YINWKSYBGKGAIQ-UHFFFAOYSA-N	0	0	442.260	5.088	50	30		IKEARN
CC(C)(O)C#Cc1ccc(CN2CCc3c4ccccc4[nH]c3[C@H]2c2cccc(O)c2)cc1	ZINC000020999284	519332216	/nfs/dbraw/zinc/33/22/16/519332216.db2.gz	ZHFAJQYSASOATN-MUUNZHRXSA-N	0	0	436.555	5.144	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)c(C)cc3NC(C)(C)C2=S)S1	ZINC000001896328	519370745	/nfs/dbraw/zinc/37/07/45/519370745.db2.gz	VFFQHFGASOTVJJ-FCDQGJHFSA-N	0	0	437.655	6.984	50	30		IKEARN
CC(C)/C(Cl)=N\OC(NC(=O)Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F	ZINC000100679930	519383898	/nfs/dbraw/zinc/38/38/98/519383898.db2.gz	UDEMUCNRHRKLCJ-KIBLKLHPSA-N	0	0	440.171	5.507	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccco1	ZINC000012381906	519477414	/nfs/dbraw/zinc/47/74/14/519477414.db2.gz	QMJDXUNAWVEDGN-AFMDSPMNSA-N	0	0	426.516	5.836	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)s1	ZINC000000994455	519640189	/nfs/dbraw/zinc/64/01/89/519640189.db2.gz	MEOAIUDWLHOVHU-HXUWFJFHSA-N	0	0	445.382	5.674	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3cccc([N+](=O)[O-])c3)C2)[C@H]1c1ccco1	ZINC000000681733	519640245	/nfs/dbraw/zinc/64/02/45/519640245.db2.gz	MNMDEHXZKFJNTK-SSOJOUAXSA-N	0	0	443.459	5.108	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1	ZINC000001481048	519640294	/nfs/dbraw/zinc/64/02/94/519640294.db2.gz	MAZMYUIRJFIAFD-WTYVLRPYSA-N	0	0	440.518	6.055	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000018107332	519640542	/nfs/dbraw/zinc/64/05/42/519640542.db2.gz	AGSJCDZPIJHFJN-QFIPXVFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc(/C=N/c2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-]	ZINC000008442521	519713822	/nfs/dbraw/zinc/71/38/22/519713822.db2.gz	CIPGNGGJENZWCY-RWPZCVJISA-N	0	0	443.547	7.363	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2)CC(C)C	ZINC000020650856	519717827	/nfs/dbraw/zinc/71/78/27/519717827.db2.gz	HNJWVSUANJKIDK-YVNNLAQVSA-N	0	0	431.935	5.915	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2)CC(C)C	ZINC000020648698	519718194	/nfs/dbraw/zinc/71/81/94/519718194.db2.gz	FTSBTGHEAVTOLG-BRJLIKDPSA-N	0	0	432.564	5.614	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000077312159	519756952	/nfs/dbraw/zinc/75/69/52/519756952.db2.gz	PMBSWZWCNKVWLV-SXOYSHEPSA-N	0	0	442.684	7.139	50	30	in-vitro	IKEARN
CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000254302375	519757040	/nfs/dbraw/zinc/75/70/40/519757040.db2.gz	HTZDJVPKUOXQMG-GLGRMFGFSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000253534210	519757179	/nfs/dbraw/zinc/75/71/79/519757179.db2.gz	PMBSWZWCNKVWLV-YWZZNCOXSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12	ZINC000257348678	519757298	/nfs/dbraw/zinc/75/72/98/519757298.db2.gz	HXUGNDVVHVLCAY-VXWAUESUSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@H]4[C@@H]3CC[C@H]2C1	ZINC000257349965	519757503	/nfs/dbraw/zinc/75/75/03/519757503.db2.gz	SWTNFHMWIPZFLE-YSYRZKQJSA-N	0	0	448.647	6.860	50	30		IKEARN
CC(=O)[C@@H](/C=N/OCc1c(Cl)cccc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000008781452	519760059	/nfs/dbraw/zinc/76/00/59/519760059.db2.gz	NPIVENQXQWFUMU-GMCBVQGUSA-N	0	0	448.133	5.647	50	30		IKEARN
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000012736730	519821800	/nfs/dbraw/zinc/82/18/00/519821800.db2.gz	QFYBVQLVAZZPEV-JTQLQIEISA-N	0	0	429.752	5.220	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3cc(OC(=O)c4ccc5c(c4)OCO5)ccc3C2=O)cc1	ZINC000002096562	519834302	/nfs/dbraw/zinc/83/43/02/519834302.db2.gz	XTIVEQPQNORNQN-MYKKPKGFSA-N	0	0	428.440	5.374	50	30	biogenic	IKEARN
CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009805291	519839653	/nfs/dbraw/zinc/83/96/53/519839653.db2.gz	ZWOYZOAVXBSZMW-FWUCURJTSA-N	0	0	444.578	7.425	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000104182679	519840207	/nfs/dbraw/zinc/84/02/07/519840207.db2.gz	BCDPESCVCNJTCL-WOOAAIBNSA-N	0	0	438.936	5.546	50	30		IKEARN
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1	ZINC000021721914	519877403	/nfs/dbraw/zinc/87/74/03/519877403.db2.gz	FBHFHRWRQHGBFV-AREMUKBSSA-N	0	0	431.580	5.138	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000012652482	519884060	/nfs/dbraw/zinc/88/40/60/519884060.db2.gz	RTLVASMBPGAUNB-VOIUYBSRSA-N	0	0	431.492	5.366	50	30		IKEARN
CCCCC(NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc21)=C1C(=O)CCCC1=O	ZINC000100140090	519916624	/nfs/dbraw/zinc/91/66/24/519916624.db2.gz	BHBCTKGYSXMASL-UHFFFAOYSA-N	0	0	436.474	5.273	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C	ZINC000006635082	519927152	/nfs/dbraw/zinc/92/71/52/519927152.db2.gz	SVGLNJIGDXUCDK-AREMUKBSSA-N	0	0	433.596	5.625	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000018107290	519928158	/nfs/dbraw/zinc/92/81/58/519928158.db2.gz	WODPAPKCXDYOQJ-CLYVBNDRSA-N	0	0	444.531	6.354	50	30		IKEARN
CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2Cl)CC1	ZINC000098021327	519961925	/nfs/dbraw/zinc/96/19/25/519961925.db2.gz	AWFZNGZUDJNSBR-UHFFFAOYSA-N	0	0	443.035	5.347	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2F)c1	ZINC000098021444	519972743	/nfs/dbraw/zinc/97/27/43/519972743.db2.gz	RKCZPVBTPGZZOU-DEOSSOPVSA-N	0	0	428.573	6.293	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1	ZINC000098022874	519972767	/nfs/dbraw/zinc/97/27/67/519972767.db2.gz	ZZGAGWVMZOCRLO-AREMUKBSSA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(C)c2)cc1	ZINC000098021445	519973814	/nfs/dbraw/zinc/97/38/14/519973814.db2.gz	YSZBDCFPYRFCPA-AREMUKBSSA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCC	ZINC000100297820	519974047	/nfs/dbraw/zinc/97/40/47/519974047.db2.gz	UBQXQCCAPASFJR-UHFFFAOYSA-N	0	0	430.626	5.607	50	30		IKEARN
CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)C[C@H]1CCCO1)C(C)C	ZINC000102997390	519975735	/nfs/dbraw/zinc/97/57/35/519975735.db2.gz	SMRNLDHDKFCNBM-HSZRJFAPSA-N	0	0	434.621	5.165	50	30		IKEARN
CCCCCCCCCCCC(=O)OC[C@H](C)OC(=O)CCCCCCCCCCC	ZINC000056898843	519983483	/nfs/dbraw/zinc/98/34/83/519983483.db2.gz	WITKSCOBOCOGSC-VWLOTQADSA-N	0	0	440.709	8.303	50	30	in-man	IKEARN
CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCC	ZINC000008386490	519991125	/nfs/dbraw/zinc/99/11/25/519991125.db2.gz	OMQXJSWEEKPJGU-VWLOTQADSA-N	0	0	447.660	6.464	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)c1ccc(Oc2ccccc2)cc1	ZINC000078413746	519992231	/nfs/dbraw/zinc/99/22/31/519992231.db2.gz	YCKBFTDVBBMHES-UHFFFAOYSA-N	0	0	436.680	9.923	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OCCCCC)cc1	ZINC000100029720	519993366	/nfs/dbraw/zinc/99/33/66/519993366.db2.gz	DTAYQVXQSMMJIO-UHFFFAOYSA-N	0	0	445.732	9.456	50	30	biogenic	IKEARN
CCCCCCCCCCCCCCCCCCO[P@@](=O)([O-])OCC[N+](C)(C)C	ZINC000038139357	519997357	/nfs/dbraw/zinc/99/73/57/519997357.db2.gz	ZBNJXSZNWZUYCI-UHFFFAOYSA-O	0	0	436.638	7.088	50	30		IKEARN
CCCCCCCCCCCCCCCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008398389	520003395	/nfs/dbraw/zinc/00/33/95/520003395.db2.gz	FCBXCISVXVKAIE-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CCCCCCCCCCCCCCC[C@@H](O)CC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000096094921	520006391	/nfs/dbraw/zinc/00/63/91/520006391.db2.gz	PWZJXSPDNGIODC-PKTZIBPZSA-O	0	0	444.677	5.311	50	30	in-vitro	IKEARN
CCCCCCCCCCCCCCSCCCCCCCCCCCCCC	ZINC000100015153	520007638	/nfs/dbraw/zinc/00/76/38/520007638.db2.gz	OCTONCPZMJYQLP-UHFFFAOYSA-N	0	0	426.839	11.122	50	30		IKEARN
CCCCCCCCCCCCCCOc1cccc(NCn2nnc3ccccc32)c1	ZINC000008399366	520007949	/nfs/dbraw/zinc/00/79/49/520007949.db2.gz	YPVSVADLZGJCSJ-UHFFFAOYSA-N	0	0	436.644	7.581	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(N(C)C)cc3)C(=O)O2)cc1	ZINC000097997152	520022153	/nfs/dbraw/zinc/02/21/53/520022153.db2.gz	XMXNZCXFQZHIET-QLYXXIJNSA-N	0	0	448.607	6.617	50	30		IKEARN
CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1	ZINC000059211798	520023065	/nfs/dbraw/zinc/02/30/65/520023065.db2.gz	LRKZFOZFQZWUDM-UHFFFAOYSA-N	0	0	426.622	6.953	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1	ZINC000008427018	520023588	/nfs/dbraw/zinc/02/35/88/520023588.db2.gz	JTQJGDQENFZYRF-UHFFFAOYSA-N	0	0	436.518	7.869	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(C)c(C)c2)cc1	ZINC000008385979	520023778	/nfs/dbraw/zinc/02/37/78/520023778.db2.gz	DWZGRVBYHGGWNE-UHFFFAOYSA-N	0	0	440.628	7.023	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2cccc3ccccc32)cc1	ZINC000100037908	520024149	/nfs/dbraw/zinc/02/41/49/520024149.db2.gz	DBRDMFBDSAYYGH-HSZRJFAPSA-N	0	0	446.635	8.242	50	30		IKEARN
CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)cc1	ZINC000008383694	520025703	/nfs/dbraw/zinc/02/57/03/520025703.db2.gz	ZEKHYCOBVASXFI-JOCHJYFZSA-N	0	0	437.624	6.718	50	30		IKEARN
CCCCCCCCCNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1	ZINC000097951547	520028014	/nfs/dbraw/zinc/02/80/14/520028014.db2.gz	DTPGMSXRNZHFTI-UHFFFAOYSA-N	0	0	431.646	5.416	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(-c2ccccc2)c2nc3ccccc3nc21	ZINC000102818198	520029098	/nfs/dbraw/zinc/02/90/98/520029098.db2.gz	XWRSAOLWIZLAPW-UHFFFAOYSA-N	0	0	430.552	6.063	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000097954776	520030806	/nfs/dbraw/zinc/03/08/06/520030806.db2.gz	HLPJGEFAZYYPTN-NRFANRHFSA-N	0	0	433.596	6.316	50	30		IKEARN
CCCCCCCCN1C(=O)/C(=C2\c3ccccc3N(CCCC)C2=O)SC1=S	ZINC000001835886	520032634	/nfs/dbraw/zinc/03/26/34/520032634.db2.gz	IHCGQYKIADLTFE-VXPUYCOJSA-N	0	0	430.639	5.765	50	30		IKEARN
CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2C)C(=O)N(CCCC)C1=O	ZINC000008431340	520033923	/nfs/dbraw/zinc/03/39/23/520033923.db2.gz	KNEACJZTYDHWJP-LVZFUZTISA-N	0	0	448.007	5.896	50	30		IKEARN
CCCCCCCCNC(=O)c1cccnc1SCc1cccc(Br)c1	ZINC000003021375	520034697	/nfs/dbraw/zinc/03/46/97/520034697.db2.gz	SHQQTRDTOJVXLW-UHFFFAOYSA-N	0	0	435.431	6.227	50	30		IKEARN
CCCCCCCCNC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc21	ZINC000002737641	520035449	/nfs/dbraw/zinc/03/54/49/520035449.db2.gz	WAVKUJSQPJGFNU-UHFFFAOYSA-N	0	0	439.397	6.755	50	30		IKEARN
CCCCCCCCOc1ccc([C@@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1	ZINC000217910909	520042649	/nfs/dbraw/zinc/04/26/49/520042649.db2.gz	OSGKGPMIZSAPTI-QFIPXVFZSA-N	0	0	448.559	6.736	50	30	biogenic	IKEARN
CCCCCCCCOc1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1	ZINC000002361044	520043524	/nfs/dbraw/zinc/04/35/24/520043524.db2.gz	SEYVQSPZLLFXAX-UHFFFAOYSA-N	0	0	427.544	6.478	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1	ZINC000050704706	520050152	/nfs/dbraw/zinc/05/01/52/520050152.db2.gz	PYIRSOQEEXDVIO-UHFFFAOYSA-N	0	0	445.010	7.968	50	30		IKEARN
CCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O	ZINC000001824855	520051306	/nfs/dbraw/zinc/05/13/06/520051306.db2.gz	PWUHFMGJAIGCFS-UHFFFAOYSA-N	0	0	430.390	6.477	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000059503808	520059917	/nfs/dbraw/zinc/05/99/17/520059917.db2.gz	KOOQSRKTRUFHRG-QHCPKHFHSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(CCCOC(C)C)c2nc3ccccc3nc12	ZINC000097953159	520061192	/nfs/dbraw/zinc/06/11/92/520061192.db2.gz	FCJYMFBYMLQXFD-UHFFFAOYSA-N	0	0	426.561	5.109	50	30		IKEARN
CCCCCCCOc1ccc(NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	ZINC000097940396	520064136	/nfs/dbraw/zinc/06/41/36/520064136.db2.gz	YNBRJYJMWHBLJM-QFIPXVFZSA-N	0	0	431.576	7.109	50	30		IKEARN
CCCCCCCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1Cl	ZINC000050862507	520066479	/nfs/dbraw/zinc/06/64/79/520066479.db2.gz	ZEEYESLWYAGPGO-UHFFFAOYSA-N	0	0	433.980	6.530	50	30		IKEARN
CCCCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21	ZINC000002400091	520070302	/nfs/dbraw/zinc/07/03/02/520070302.db2.gz	KGVGUJONNPXLKB-UHFFFAOYSA-N	0	0	434.540	5.643	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2Cc2ccco2)c1=O	ZINC000002412395	520072682	/nfs/dbraw/zinc/07/26/82/520072682.db2.gz	VNFRNYSCNRUFTP-UHFFFAOYSA-N	0	0	429.524	5.215	50	30		IKEARN
CCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2/N=C/c2cccs2)c1=O	ZINC000009292214	520138653	/nfs/dbraw/zinc/13/86/53/520138653.db2.gz	YWGRSUXLGNTMEC-MFKUBSTISA-N	0	0	444.564	5.127	50	30		IKEARN
CC/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC	ZINC000008444819	520205740	/nfs/dbraw/zinc/20/57/40/520205740.db2.gz	JFBIQWUQAAUWBX-OKWLUECYSA-N	0	0	428.863	5.931	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000002927019	520209296	/nfs/dbraw/zinc/20/92/96/520209296.db2.gz	BACMQGSHIULFSS-CJFMBICVSA-N	0	0	431.532	5.010	50	30		IKEARN
CCCCCNc1nc(NCc2ccccc2)c2c(c1C#N)CCN(Cc1ccccc1)C2	ZINC000020764016	520229230	/nfs/dbraw/zinc/22/92/30/520229230.db2.gz	NOLJLYNFHBFATP-UHFFFAOYSA-N	0	0	439.607	5.726	50	30		IKEARN
CCCCCOc1ccc(/C=C2/CCC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1	ZINC000035330975	520247971	/nfs/dbraw/zinc/24/79/71/520247971.db2.gz	FETMZSSJZUELET-VDUNRZOZSA-N	0	0	446.631	8.045	50	30		IKEARN
CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Br)cc1	ZINC000019833865	520249435	/nfs/dbraw/zinc/24/94/35/520249435.db2.gz	BIWYDRADXLLKGV-HYARGMPZSA-N	0	0	445.386	5.448	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1	ZINC000020136269	520256743	/nfs/dbraw/zinc/25/67/43/520256743.db2.gz	BOCTWKRYRYIDQR-UHFFFAOYSA-N	0	0	441.571	6.452	50	30		IKEARN
CCCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005092869	520259019	/nfs/dbraw/zinc/25/90/19/520259019.db2.gz	MPBHOJHESNZCEY-HHHXNRCGSA-N	0	0	432.608	7.094	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc(Cl)cc4)nn3[C@H]2c2ccc(Cl)cc2)C1	ZINC000021658643	520259458	/nfs/dbraw/zinc/25/94/58/520259458.db2.gz	MLWIDVCSXXXLDW-QHCPKHFHSA-N	0	0	438.358	6.515	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@H]2c2ccc(Br)cc2)C1	ZINC000021658676	520259743	/nfs/dbraw/zinc/25/97/43/520259743.db2.gz	QOFOVDHFAAHVSP-QHCPKHFHSA-N	0	0	448.364	5.971	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(O)cc1	ZINC000009246682	520259986	/nfs/dbraw/zinc/25/99/86/520259986.db2.gz	UHKFJYFVMFKIQX-AREMUKBSSA-N	0	0	438.527	5.845	50	30		IKEARN
CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000036532510	520260317	/nfs/dbraw/zinc/26/03/17/520260317.db2.gz	WOAMSVFCZIFFFK-DEOSSOPVSA-N	0	0	435.608	7.069	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1cccc(Br)c1)OCO3	ZINC000012349575	520260100	/nfs/dbraw/zinc/26/01/00/520260100.db2.gz	BKRIASRLTWHDJO-HXUWFJFHSA-N	0	0	426.310	5.378	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@H]2c2ccc(F)cc2)C1	ZINC000064873964	520260371	/nfs/dbraw/zinc/26/03/71/520260371.db2.gz	SIMFEUSQLHGFRY-QFIPXVFZSA-N	0	0	448.473	5.072	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)cc1)OCCO3	ZINC000004794488	520260431	/nfs/dbraw/zinc/26/04/31/520260431.db2.gz	YHSOMHJNKIFCNX-OAQYLSRUSA-N	0	0	440.337	5.421	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)s1)OCO3	ZINC000012349566	520260726	/nfs/dbraw/zinc/26/07/26/520260726.db2.gz	NTBFWGIIHHNSGF-GOSISDBHSA-N	0	0	432.339	5.440	50	30		IKEARN
CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000005341790	520260809	/nfs/dbraw/zinc/26/08/09/520260809.db2.gz	WOAMSVFCZIFFFK-XMMPIXPASA-N	0	0	435.608	7.069	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@@H]21	ZINC000018116178	520260944	/nfs/dbraw/zinc/26/09/44/520260944.db2.gz	MJWQZFQSWLNLBD-SANMLTNESA-N	0	0	448.522	5.688	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@H]2c1ccccc1	ZINC000021722097	520261577	/nfs/dbraw/zinc/26/15/77/520261577.db2.gz	NKIMWHYTPHUKNG-VWLOTQADSA-N	0	0	441.531	5.806	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccccc1	ZINC000021722089	520263025	/nfs/dbraw/zinc/26/30/25/520263025.db2.gz	AAXDOSGNAXKKMX-VWLOTQADSA-N	0	0	429.564	5.955	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1cccs1	ZINC000021722262	520263068	/nfs/dbraw/zinc/26/30/68/520263068.db2.gz	DDNHFMGKKCPSLG-QHCPKHFHSA-N	0	0	435.593	6.017	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@H]2c1ccco1	ZINC000009504738	520264843	/nfs/dbraw/zinc/26/48/43/520264843.db2.gz	NMTCAHBUBMEBCI-SANMLTNESA-N	0	0	447.579	5.345	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(I)c1	ZINC000018250042	520265827	/nfs/dbraw/zinc/26/58/27/520265827.db2.gz	MYEIBTIZYYFAFE-FQEVSTJZSA-N	0	0	444.316	5.513	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OCc2ccccc2F)cc1	ZINC000012402405	520266226	/nfs/dbraw/zinc/26/62/26/520266226.db2.gz	AZXBZCYPCIUTBU-MHZLTWQESA-N	0	0	442.534	6.627	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2)cc1	ZINC000002271597	520267441	/nfs/dbraw/zinc/26/74/41/520267441.db2.gz	MAKAEKVFRHITCN-UHFFFAOYSA-N	0	0	426.556	6.754	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2F)o1	ZINC000001025368	520269248	/nfs/dbraw/zinc/26/92/48/520269248.db2.gz	KOILAOYHQRDEEV-UHFFFAOYSA-N	0	0	434.507	6.486	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850873	520273130	/nfs/dbraw/zinc/27/31/30/520273130.db2.gz	HCTIDTCDOZXMNO-LJQANCHMSA-N	0	0	441.557	5.127	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850243	520274021	/nfs/dbraw/zinc/27/40/21/520274021.db2.gz	HJFCDOZPRJQOBK-LJQANCHMSA-N	0	0	431.005	5.872	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccc(Br)cc1)C1C(=O)CCCC1=N2	ZINC000009942364	520274613	/nfs/dbraw/zinc/27/46/13/520274613.db2.gz	KQQLEXWUKMHFIH-GOSISDBHSA-N	0	0	447.402	5.345	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccccc1Br	ZINC000018118804	520287927	/nfs/dbraw/zinc/28/79/27/520287927.db2.gz	OWEFIUSTMCYYBI-LJQANCHMSA-N	0	0	434.333	6.227	50	30		IKEARN
CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC	ZINC000003000176	520294452	/nfs/dbraw/zinc/29/44/52/520294452.db2.gz	MXSZTDHPHPAARP-UHFFFAOYSA-N	0	0	430.928	5.656	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)c(OC)c1)O2	ZINC000020647375	520495640	/nfs/dbraw/zinc/49/56/40/520495640.db2.gz	WHEQHRIFFBTEKK-JLPGSUDCSA-N	0	0	439.552	5.428	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009271459	520495848	/nfs/dbraw/zinc/49/58/48/520495848.db2.gz	VEKIOHJACGZVRW-DEOSSOPVSA-N	0	0	431.532	5.646	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(c(C)cc1[O-])C(=O)/C(=C\c1cc3ccccc3o1)O2	ZINC000020649852	520496478	/nfs/dbraw/zinc/49/64/78/520496478.db2.gz	RCYVTNDOESHAPC-LFVJCYFKSA-N	0	0	433.548	6.465	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1	ZINC000001130158	520497582	/nfs/dbraw/zinc/49/75/82/520497582.db2.gz	SAXCBFNQTZAPLH-YADARESESA-N	0	0	433.573	5.333	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(SC)cc1	ZINC000001184397	520498633	/nfs/dbraw/zinc/49/86/33/520498633.db2.gz	BQEAGWNBPANOMQ-KSFYIVLOSA-N	0	0	439.602	5.395	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000001132848	520500198	/nfs/dbraw/zinc/50/01/98/520500198.db2.gz	OAGBZAFLRCGTBD-QVKFZJNVSA-N	0	0	445.437	5.223	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1	ZINC000006197664	520500497	/nfs/dbraw/zinc/50/04/97/520500497.db2.gz	VEHPKAAVCHEUTI-PEBXRYMYSA-N	0	0	427.591	5.297	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(C(F)(F)F)cc2)SC(=Cc2ccc(O)c(C)c2)C1=O	ZINC000036258538	520534046	/nfs/dbraw/zinc/53/40/46/520534046.db2.gz	LFHJBSLTBLDGJW-GZTJUZNOSA-N	0	0	449.450	5.263	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(OCC)cc1	ZINC000013306317	520555691	/nfs/dbraw/zinc/55/56/91/520555691.db2.gz	VHOWKWWTWXMHIJ-ZMPCKTLKSA-N	0	0	439.606	5.860	50	30		IKEARN
CCCSc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000002504247	520571440	/nfs/dbraw/zinc/57/14/40/520571440.db2.gz	NLIFCNUNWPYLPG-OAHLLOKOSA-N	0	0	427.595	5.204	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2ccc(Cl)cc2Cl)ccc1O[C@H](C)C(=O)N(C)C	ZINC000013055988	520618807	/nfs/dbraw/zinc/61/88/07/520618807.db2.gz	LRKMWQUIXUIRLR-OAUONFCTSA-N	0	0	436.335	5.144	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N/c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O	ZINC000014257288	520625577	/nfs/dbraw/zinc/62/55/77/520625577.db2.gz	YASOULSQRVOPLY-DBPHPPTCSA-N	0	0	430.957	5.704	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O	ZINC000013805611	520631747	/nfs/dbraw/zinc/63/17/47/520631747.db2.gz	JRROZVREZHGKHW-PXNMLYILSA-N	0	0	442.846	5.355	50	30		IKEARN
CCOc1cc(/C=C\C(=O)c2ccc(N(C)C)cc2)ccc1OCC(=O)Nc1ccccc1	ZINC000096765845	520636632	/nfs/dbraw/zinc/63/66/32/520636632.db2.gz	XDDFFJMOICQQRS-YBEGLDIGSA-N	0	0	444.531	5.065	50	30		IKEARN
CCCCNc1nc(CSc2nc(C(F)F)cc(C)c2C#N)c(C(=O)OCC)s1	ZINC000020607449	520700668	/nfs/dbraw/zinc/70/06/68/520700668.db2.gz	FIAFSFSKIBUFLD-UHFFFAOYSA-N	0	0	440.541	5.337	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)ccc1OC	ZINC000021349720	520778277	/nfs/dbraw/zinc/77/82/77/520778277.db2.gz	QBUAXCKLUMGEGR-UPCLLVRISA-N	0	0	446.503	5.054	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013568	520811539	/nfs/dbraw/zinc/81/15/39/520811539.db2.gz	YNHOOWWJUHDADK-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000022216189	520812567	/nfs/dbraw/zinc/81/25/67/520812567.db2.gz	WZDGZFPTHVGXIH-NRFANRHFSA-N	0	0	433.508	5.042	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001070627	520816178	/nfs/dbraw/zinc/81/61/78/520816178.db2.gz	VPXIKURZVDVKSA-AOMKIAJQSA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000666619	520818259	/nfs/dbraw/zinc/81/82/59/520818259.db2.gz	IYGDBOCEZSZGLS-XMMPIXPASA-N	0	0	436.596	5.233	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781186	520819063	/nfs/dbraw/zinc/81/90/63/520819063.db2.gz	VCCPBBWFNKCBSJ-OPAMFIHVSA-N	0	0	439.602	5.657	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000666751	520819858	/nfs/dbraw/zinc/81/98/58/520819858.db2.gz	PPJAPMPUIWUORI-NBGIEHNGSA-N	0	0	449.978	5.901	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019830814	520820382	/nfs/dbraw/zinc/82/03/82/520820382.db2.gz	JHTBJUSVJWSFGY-CJFMBICVSA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019855326	520821275	/nfs/dbraw/zinc/82/12/75/520821275.db2.gz	PUMHXNHZVUZKGS-CPJSRVTESA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781301	520821749	/nfs/dbraw/zinc/82/17/49/520821749.db2.gz	CYRJXPPPAOQGQD-SBUREZEXSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)c(F)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000716971	520824749	/nfs/dbraw/zinc/82/47/49/520824749.db2.gz	HVUWVUHNSBZCNF-HSZRJFAPSA-N	0	0	437.486	5.312	50	30		IKEARN
CCOc1ccc(/C=C2\CC(C)C/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC	ZINC000012619347	520848949	/nfs/dbraw/zinc/84/89/49/520848949.db2.gz	BJDCCWRIZUGCMN-NNFYUIBOSA-N	0	0	436.548	5.967	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1	ZINC000097464892	520859548	/nfs/dbraw/zinc/85/95/48/520859548.db2.gz	VIWOCADVAOAYEJ-BRBBDLJVSA-N	0	0	426.538	5.117	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1	ZINC000027018264	520872539	/nfs/dbraw/zinc/87/25/39/520872539.db2.gz	VTXPLMDXKUBAQA-LTGZKZEYSA-N	0	0	445.540	6.136	50	30		IKEARN
CCN(CC)c1ccc(/C=C2/CC(C)C/C(=C/c3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000033399584	520879228	/nfs/dbraw/zinc/87/92/28/520879228.db2.gz	SFXPLYOSNTZJFW-GLGFVMGMSA-N	0	0	430.636	6.845	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1	ZINC000032984295	520883092	/nfs/dbraw/zinc/88/30/92/520883092.db2.gz	PRYQEPHRLLUOKY-UHFFFAOYSA-N	0	0	447.556	5.858	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1	ZINC000033097086	520884632	/nfs/dbraw/zinc/88/46/32/520884632.db2.gz	TZKRCBPRLXRXGF-KQACQGCHSA-N	0	0	449.668	6.525	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000051366909	520896813	/nfs/dbraw/zinc/89/68/13/520896813.db2.gz	NVHYTASQZUFVJY-MQBMHJJESA-N	0	0	444.398	5.392	50	30		IKEARN
CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@@H](Cc2ccc(CCCC)cc2)S1	ZINC000012194659	520911358	/nfs/dbraw/zinc/91/13/58/520911358.db2.gz	GVCOBXZNLSJPRX-ZCBHOAFYSA-N	0	0	437.609	5.372	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1	ZINC000008995346	520922595	/nfs/dbraw/zinc/92/25/95/520922595.db2.gz	DNXSRZULBGSFSP-ZTOMLWHTSA-N	0	0	437.587	6.512	50	30		IKEARN
CCN(CC)c1ccc([C@H]2c3cc4c(cc3NC3=C2C(=O)CC(C)(C)C3)OCCO4)cc1	ZINC000004794505	520923666	/nfs/dbraw/zinc/92/36/66/520923666.db2.gz	NLVJCYLQMXCHRM-VWLOTQADSA-N	0	0	432.564	5.505	50	30		IKEARN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2)cc1	ZINC000008995347	520924260	/nfs/dbraw/zinc/92/42/60/520924260.db2.gz	DNXSRZULBGSFSP-MNNSJKJDSA-N	0	0	437.587	6.512	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CCC3)cc1OC	ZINC000012564546	521247851	/nfs/dbraw/zinc/24/78/51/521247851.db2.gz	NVVFSBTXPUHOMW-XMMPIXPASA-N	0	0	447.510	5.292	50	30		IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cc(C)ccn2)CC1	ZINC000018148452	521257663	/nfs/dbraw/zinc/25/76/63/521257663.db2.gz	UDBWAKVDHVOHMF-UHFFFAOYSA-N	0	0	438.579	5.040	50	30		IKEARN
CCOc1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1	ZINC000013576530	521270037	/nfs/dbraw/zinc/27/00/37/521270037.db2.gz	FGZPNPTYWDRTON-OAQYLSRUSA-N	0	0	443.543	5.454	50	30	biogenic	IKEARN
CCOc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000001185599	521273319	/nfs/dbraw/zinc/27/33/19/521273319.db2.gz	FXWKVXXIUHSQOH-HHHXNRCGSA-N	0	0	438.527	5.902	50	30		IKEARN
CCOc1ccc([C@H]2c3c(cc(OC)c(OC)c3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794518	521275833	/nfs/dbraw/zinc/27/58/33/521275833.db2.gz	HDUMIDJOVSEWSL-OAQYLSRUSA-N	0	0	437.536	5.312	50	30		IKEARN
CCOc1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000001080215	521276177	/nfs/dbraw/zinc/27/61/77/521276177.db2.gz	LUHXGQBPZJLMON-PIKZIKFNSA-N	0	0	446.550	6.592	50	30		IKEARN
CCOC(=O)[C@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000012368701	521276924	/nfs/dbraw/zinc/27/69/24/521276924.db2.gz	VOBNOMJLKJIYCY-LADGPHEKSA-N	0	0	438.445	6.178	50	30		IKEARN
CCOc1ccc2c(c1)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2	ZINC000012436858	521285212	/nfs/dbraw/zinc/28/52/12/521285212.db2.gz	ALQBXPSBGNDKSG-LWTODMHQSA-N	0	0	441.512	5.216	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O	ZINC000014009041	521297266	/nfs/dbraw/zinc/29/72/66/521297266.db2.gz	BGOFCPTWTLESKZ-OBUXZSPNSA-N	0	0	432.545	5.489	50	30		IKEARN
CCCCn1c(/N=C/c2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176681	521354422	/nfs/dbraw/zinc/35/44/22/521354422.db2.gz	RCQMOQBWTRKEMS-TWKHWXDSSA-N	0	0	448.526	7.153	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC)c(OC)c3)sc2C1	ZINC000035132136	521365538	/nfs/dbraw/zinc/36/55/38/521365538.db2.gz	AEUQPGDABIMYAX-UEOUDEGLSA-N	0	0	438.593	5.830	50	30		IKEARN
CCOC(=O)c1[nH]c2ccc(OCC)cc2c1/C=N/N(c1ccccc1)c1ccccc1	ZINC000008399382	521367680	/nfs/dbraw/zinc/36/76/80/521367680.db2.gz	NZEQKBVZJTZYTG-OVVQPSECSA-N	0	0	427.504	5.916	50	30		IKEARN
CCOC(=O)c1cc(Cl)c(OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c(Cl)c1	ZINC000012523089	521435823	/nfs/dbraw/zinc/43/58/23/521435823.db2.gz	BTMOOIHWOSPSKB-UDWIEESQSA-N	0	0	448.346	5.430	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ncccc12	ZINC000013303958	521513684	/nfs/dbraw/zinc/51/36/84/521513684.db2.gz	OOZYLMDLLGLYEG-JXAXBCJLSA-N	0	0	448.573	5.237	50	30		IKEARN
CCOC(=O)c1sc(NCC(C)C)nc1CSc1nc(C(F)F)cc(C)c1C#N	ZINC000020607345	521615131	/nfs/dbraw/zinc/61/51/31/521615131.db2.gz	VEZTXCBXSXCHGV-UHFFFAOYSA-N	0	0	440.541	5.193	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000012520212	521635877	/nfs/dbraw/zinc/63/58/77/521635877.db2.gz	CVLCXEYQWASSSI-DJJJIMSYSA-N	0	0	426.508	5.000	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1SCCC(=O)Nc1ccccc1C#N	ZINC000024758748	521636178	/nfs/dbraw/zinc/63/61/78/521636178.db2.gz	QFVYUICUVLHUEU-UHFFFAOYSA-N	0	0	432.471	5.458	50	30		IKEARN
CCOC1=CC(=C2C=C(Nc3ccc(C)cc3)c3c(C)oc(C)c3C(OCC)=C2)C=CC1=O	ZINC000008818238	521637760	/nfs/dbraw/zinc/63/77/60/521637760.db2.gz	NNOCUTKVNUYYES-MRCUWXFGSA-N	0	0	443.543	6.405	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccccc1Br)O2	ZINC000013655797	521647680	/nfs/dbraw/zinc/64/76/80/521647680.db2.gz	SKZZOBVMDFGFNN-MOSHPQCFSA-N	0	0	430.342	5.393	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C)cc2C)c(C)n1	ZINC000032972856	521649568	/nfs/dbraw/zinc/64/95/68/521649568.db2.gz	ANVIMJRPARSTKP-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c(C)n1	ZINC000032972748	521650274	/nfs/dbraw/zinc/65/02/74/521650274.db2.gz	SPJGYPDOBCFQGZ-UHFFFAOYSA-N	0	0	431.584	5.297	50	30		IKEARN
CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1	ZINC000021722871	521711737	/nfs/dbraw/zinc/71/17/37/521711737.db2.gz	SLRMXMXCJNOQNQ-RUZDIDTESA-N	0	0	447.579	5.439	50	30		IKEARN
CCOCCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1	ZINC000021356388	521711929	/nfs/dbraw/zinc/71/19/29/521711929.db2.gz	ZOPMHFYKLCHVJZ-HSZRJFAPSA-N	0	0	437.540	5.032	50	30		IKEARN
CCSc1cccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)c1	ZINC000022906514	521758202	/nfs/dbraw/zinc/75/82/02/521758202.db2.gz	LBCDOWUGMZVSKS-UHFFFAOYSA-N	0	0	433.602	5.542	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1	ZINC000036611333	521791505	/nfs/dbraw/zinc/79/15/05/521791505.db2.gz	MACPCAUUYFEANJ-FSJBWODESA-N	0	0	442.928	5.666	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc3c(c2)CCC3)o1	ZINC000036611332	521791732	/nfs/dbraw/zinc/79/17/32/521791732.db2.gz	HKEKKMIXOWVUEH-ZVHZXABRSA-N	0	0	434.521	5.193	50	30		IKEARN
CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1	ZINC000020617947	521792052	/nfs/dbraw/zinc/79/20/52/521792052.db2.gz	WLRHMCNOPGIQAT-NUGSKGIGSA-N	0	0	444.866	5.425	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1	ZINC000020617980	521792901	/nfs/dbraw/zinc/79/29/01/521792901.db2.gz	FBYGKKDUUMRILZ-FSJBWODESA-N	0	0	442.928	5.666	50	30		IKEARN
CCc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(C)cc2)S1(=O)=O	ZINC000020575712	521851054	/nfs/dbraw/zinc/85/10/54/521851054.db2.gz	FHUUYNQOKCRINH-STZFKDTASA-N	0	0	438.574	5.105	50	30		IKEARN
CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	ZINC000021356081	521891940	/nfs/dbraw/zinc/89/19/40/521891940.db2.gz	UGITXKOPXMTIIX-VWLOTQADSA-N	0	0	443.572	6.523	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccccc1Cl	ZINC000036020651	521893344	/nfs/dbraw/zinc/89/33/44/521893344.db2.gz	HISGQXCECHFJPC-UHFFFAOYSA-N	0	0	447.966	6.102	50	30		IKEARN
COC(=O)c1ccc(/C=C(\C(=O)c2cc(OC)cc(OC)c2)c2nc3ccccc3o2)cc1	ZINC000013655097	521934930	/nfs/dbraw/zinc/93/49/30/521934930.db2.gz	QNFZMVNIBKEMSX-CIAFOILYSA-N	0	0	443.455	5.055	50	30		IKEARN
COc1cc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1	ZINC000002184883	521951633	/nfs/dbraw/zinc/95/16/33/521951633.db2.gz	FQCSLIXWCLOGMS-BUVRLJJBSA-N	0	0	444.556	5.783	50	30		IKEARN
COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F	ZINC000012419568	521952395	/nfs/dbraw/zinc/95/23/95/521952395.db2.gz	MTGYFMCWKDFMQK-HYARGMPZSA-N	0	0	434.492	5.305	50	30		IKEARN
COc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000002054690	521957322	/nfs/dbraw/zinc/95/73/22/521957322.db2.gz	DOEFHXDBPMGCQF-SSDVNMTOSA-N	0	0	443.351	6.911	50	30		IKEARN
COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccccc1F	ZINC000036245393	521968483	/nfs/dbraw/zinc/96/84/83/521968483.db2.gz	MTGYFMCWKDFMQK-HMAPJEAMSA-N	0	0	434.492	5.305	50	30		IKEARN
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N	ZINC000012419618	521977754	/nfs/dbraw/zinc/97/77/54/521977754.db2.gz	MGBIFJBBQLLBCJ-JJFYIABZSA-N	0	0	430.441	5.597	50	30		IKEARN
COc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1	ZINC000001740075	521986665	/nfs/dbraw/zinc/98/66/65/521986665.db2.gz	RAODBYKFQKPPRJ-OVVQPSECSA-N	0	0	435.955	5.084	50	30		IKEARN
COc1cc(CN=Nc2nc(C)cc(C)n2)ccc1OCc1ccc(Cl)c(Cl)c1	ZINC000009216479	521996364	/nfs/dbraw/zinc/99/63/64/521996364.db2.gz	ICVMTJQYJAAQJM-BHGWPJFGSA-N	0	0	431.323	5.434	50	30		IKEARN
COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000006906991	521996584	/nfs/dbraw/zinc/99/65/84/521996584.db2.gz	KJBPOBZAAJYKJJ-YDZHTSKRSA-N	0	0	434.477	5.238	50	30		IKEARN
COc1cc(C(=O)/C(=C/C=C/c2ccco2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000013654990	522049773	/nfs/dbraw/zinc/04/97/73/522049773.db2.gz	GBPHLLURRLRNOG-FHTUUITISA-N	0	0	431.444	5.426	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1	ZINC000009972255	522245053	/nfs/dbraw/zinc/24/50/53/522245053.db2.gz	FYCTYEMAPAOEEF-WINIVTDRSA-N	0	0	427.523	5.871	50	30		IKEARN
CN(C)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000004199816	522245127	/nfs/dbraw/zinc/24/51/27/522245127.db2.gz	LJFKTOGWRXCVAM-RUZDIDTESA-N	0	0	429.564	5.306	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000001411014	522311457	/nfs/dbraw/zinc/31/14/57/522311457.db2.gz	ZCRQOXFBOGJFEI-UHFFFAOYSA-N	0	0	449.846	5.298	50	30		IKEARN
CC[C@@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000008874989	522429726	/nfs/dbraw/zinc/42/97/26/522429726.db2.gz	ZEOQAZHMZKHYCM-PZLSILOWSA-N	0	0	447.535	6.402	50	30		IKEARN
COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nc(C)cc(C(F)(F)F)c1C#N	ZINC000012545434	522516611	/nfs/dbraw/zinc/51/66/11/522516611.db2.gz	PLPHQZUDGGMOMQ-NSHDSACASA-N	0	0	443.878	5.370	50	30		IKEARN
COc1cc(OC)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c(OC)c1	ZINC000004252492	522788209	/nfs/dbraw/zinc/78/82/09/522788209.db2.gz	GMVRRASQHIYZQN-ZRDIBKRKSA-N	0	0	434.488	5.196	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)c1	ZINC000035847630	522839381	/nfs/dbraw/zinc/83/93/81/522839381.db2.gz	IIJBHMASTVHWHR-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2C)c1	ZINC000035847706	522839893	/nfs/dbraw/zinc/83/98/93/522839893.db2.gz	ZROKFJAWMNLGNM-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000005397111	522877796	/nfs/dbraw/zinc/87/77/96/522877796.db2.gz	HKLRGZCPIUHXOU-RUZDIDTESA-N	0	0	445.559	5.351	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000628595	522878219	/nfs/dbraw/zinc/87/82/19/522878219.db2.gz	HOEJGLKPFPMWHM-QFIPXVFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(OCc2cccc(Cl)c2)c1	ZINC000000627331	522879218	/nfs/dbraw/zinc/87/92/18/522879218.db2.gz	XFRREFHWGGKXDH-HSZRJFAPSA-N	0	0	437.923	5.060	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C	ZINC000019761819	522880666	/nfs/dbraw/zinc/88/06/66/522880666.db2.gz	DFPGCFXBBZYONE-UQBPGWFLSA-N	0	0	431.532	5.008	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O	ZINC000000710624	522931687	/nfs/dbraw/zinc/93/16/87/522931687.db2.gz	FDVXNNIFAZBQQL-QUGAMOGWSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1cc([C@@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)ccc1OC(=O)C(C)C	ZINC000012401220	522937236	/nfs/dbraw/zinc/93/72/36/522937236.db2.gz	AAFUBARIHVFGAJ-RUZDIDTESA-N	0	0	441.527	5.974	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C	ZINC000013568611	522957559	/nfs/dbraw/zinc/95/75/59/522957559.db2.gz	LEZOUGGFQGMRHJ-IEBWSBKVSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@H]2c3ccc4ccccc4c3NC3=C2C(=O)CCC3)ccc1OC(=O)C(C)C	ZINC000012401222	522970782	/nfs/dbraw/zinc/97/07/82/522970782.db2.gz	AAFUBARIHVFGAJ-VWLOTQADSA-N	0	0	441.527	5.974	50	30		IKEARN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/S/C(=N/c3ccc(C)cc3C)NC2=O)o1	ZINC000012447027	522973476	/nfs/dbraw/zinc/97/34/76/522973476.db2.gz	IVOXHDWCMVAVOS-CIAFOILYSA-N	0	0	449.488	5.372	50	30		IKEARN
COc1cc2c(c(OC)c1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794448	522994231	/nfs/dbraw/zinc/99/42/31/522994231.db2.gz	QODACFIISUFECI-IBGZPJMESA-N	0	0	427.928	5.566	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000013591083	523021872	/nfs/dbraw/zinc/02/18/72/523021872.db2.gz	BJQAEPSZBKQFFF-FQEVSTJZSA-N	0	0	433.523	5.483	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000013576519	523022642	/nfs/dbraw/zinc/02/26/42/523022642.db2.gz	CCFKZAIUMVVHHW-FQEVSTJZSA-N	0	0	449.978	5.997	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccccc1Cl	ZINC000036046213	523076138	/nfs/dbraw/zinc/07/61/38/523076138.db2.gz	QHJRUFUZVRTNLK-UHFFFAOYSA-N	0	0	447.966	6.102	50	30		IKEARN
COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3)c(C)n2-c2ccccc2F)cc1	ZINC000035843379	523089977	/nfs/dbraw/zinc/08/99/77/523089977.db2.gz	QFWABJHKGDWRCI-CEUNXORHSA-N	0	0	428.507	6.541	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2ccc(F)cc2)cc1OC	ZINC000015837791	523240664	/nfs/dbraw/zinc/24/06/64/523240664.db2.gz	PGWHMFIDDNVGDA-UVTDQMKNSA-N	0	0	428.463	5.592	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2cc(OC)ccc21	ZINC000020650793	523303613	/nfs/dbraw/zinc/30/36/13/523303613.db2.gz	CMBHOEYVCJCPAT-DHRITJCHSA-N	0	0	446.547	5.224	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3C[C@@H](C)C[C@H](C)C3)C2=O)c2ccccc21	ZINC000020650222	523304127	/nfs/dbraw/zinc/30/41/27/523304127.db2.gz	NZJVEMLDYNICJQ-UKDLMXTDSA-N	0	0	430.548	5.461	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000008993196	523306773	/nfs/dbraw/zinc/30/67/73/523306773.db2.gz	QHKGVINCSYUHQP-LGJNPRDNSA-N	0	0	425.484	5.865	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21	ZINC000009422212	523307283	/nfs/dbraw/zinc/30/72/83/523307283.db2.gz	FTMMHWDWTOONII-RPPGKUMJSA-N	0	0	443.474	6.004	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21	ZINC000028182578	523307710	/nfs/dbraw/zinc/30/77/10/523307710.db2.gz	VTWNAFPHVFGPMF-UFVGZDAISA-N	0	0	435.523	6.678	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4ccccc4OC)ccc3C2=O)c2ccccc21	ZINC000028182534	523310335	/nfs/dbraw/zinc/31/03/35/523310335.db2.gz	DYAJMHFFXWIEHA-WGARJPEWSA-N	0	0	425.484	5.865	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(F)c3)cc2-c2ccc(F)cc2)cc1	ZINC000035843473	523311674	/nfs/dbraw/zinc/31/16/74/523311674.db2.gz	GIMIPXJLGMIPSD-YKQZZPSBSA-N	0	0	446.497	6.680	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccc(C)cc3)cc2-c2ccc(F)cc2)cc1	ZINC000035843471	523312170	/nfs/dbraw/zinc/31/21/70/523312170.db2.gz	ITRYKBPKKZGFRK-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012951741	523357976	/nfs/dbraw/zinc/35/79/76/523357976.db2.gz	PVCQIYANENDXBU-HPLNABNRSA-N	0	0	436.895	5.981	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(-n3ccnc3)cc2)cc1COc1ccccc1Cl	ZINC000013640491	523400055	/nfs/dbraw/zinc/40/00/55/523400055.db2.gz	KCKPOSIZDNSFLY-WUXMJOGZSA-N	0	0	444.918	6.009	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2cccs2)cc1COc1ccccc1Cc1ccccc1	ZINC000020608239	523403242	/nfs/dbraw/zinc/40/32/42/523403242.db2.gz	JAVKPTJWVRWIQX-FYWRMAATSA-N	0	0	440.564	6.823	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1	ZINC000217800369	523421635	/nfs/dbraw/zinc/42/16/35/523421635.db2.gz	REPYETNVMPJALL-UTKDAVAPSA-N	0	0	440.495	5.876	50	30	biogenic	IKEARN
COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000013617823	523465862	/nfs/dbraw/zinc/46/58/62/523465862.db2.gz	LWTDZZGXVXAKIK-MFKUBSTISA-N	0	0	443.415	5.228	50	30		IKEARN
CC[C@@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1	ZINC000008687696	523519399	/nfs/dbraw/zinc/51/93/99/523519399.db2.gz	QFFSNQJKVMTZBJ-AKCCUMBPSA-N	0	0	428.557	6.478	50	30	aggregator	IKEARN
COc1ccc(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1	ZINC000012564705	523542294	/nfs/dbraw/zinc/54/22/94/523542294.db2.gz	NARKYBNNZQLZNN-RVDMUPIBSA-N	0	0	440.499	5.461	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984368	523571514	/nfs/dbraw/zinc/57/15/14/523571514.db2.gz	BFYIEEFXHHAUOS-UHFFFAOYSA-N	0	0	437.492	5.101	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3cccc(SC)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984196	523572987	/nfs/dbraw/zinc/57/29/87/523572987.db2.gz	CUJRAFUXCLNVQP-UHFFFAOYSA-N	0	0	437.542	5.067	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C	ZINC000032973125	523635464	/nfs/dbraw/zinc/63/54/64/523635464.db2.gz	ZIRVADNXAHSVHB-UHFFFAOYSA-N	0	0	445.611	5.258	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(C)c2C)c1C	ZINC000032971776	523639231	/nfs/dbraw/zinc/63/92/31/523639231.db2.gz	BSKGHVBOUBIMGP-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2cc(Cl)ccc2C)c1C	ZINC000032971869	523639313	/nfs/dbraw/zinc/63/93/13/523639313.db2.gz	QNYXLSRHMRDBMV-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)S/C1=N/c1cccc2ccccc21	ZINC000016189440	523726079	/nfs/dbraw/zinc/72/60/79/523726079.db2.gz	BQLAPSVLVYMZJW-GYRUEZOASA-N	0	0	439.540	5.583	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1	ZINC000008991717	523774509	/nfs/dbraw/zinc/77/45/09/523774509.db2.gz	YJJYQDYQBMRCJF-ZVHZXABRSA-N	0	0	439.467	5.331	50	30		IKEARN
COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C1=N\c1ccccc1	ZINC000014009072	523785747	/nfs/dbraw/zinc/78/57/47/523785747.db2.gz	BAZHUGCCVDXIAJ-MXHYXOMCSA-N	0	0	437.952	5.381	50	30		IKEARN
COc1ccc(C2=C(C(=O)c3ccccc3)[C@H](C)Nc3nc4ccccc4n32)cc1OC	ZINC000020569233	523869834	/nfs/dbraw/zinc/86/98/34/523869834.db2.gz	GIKIRKWSHMQYFO-INIZCTEOSA-N	0	0	425.488	5.010	50	30		IKEARN
CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2cccc(Cl)c2)s1	ZINC000036612231	523876137	/nfs/dbraw/zinc/87/61/37/523876137.db2.gz	MAMDDIANZMUKQA-OAHLLOKOSA-N	0	0	438.862	5.270	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000035973801	524006719	/nfs/dbraw/zinc/00/67/19/524006719.db2.gz	RUCSBLGADDDLHI-JHACJNOPSA-N	0	0	445.559	5.399	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000008926902	524034058	/nfs/dbraw/zinc/03/40/58/524034058.db2.gz	FXNBYLPGDWPUPX-IQMFZBJNSA-N	0	0	441.618	5.685	50	30		IKEARN
CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000017747343	524034427	/nfs/dbraw/zinc/03/44/27/524034427.db2.gz	JIGZDXOYCFNJHA-ODLFYWEKSA-N	0	0	425.535	5.177	50	30		IKEARN
COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2OC)cc1	ZINC000012652225	524043625	/nfs/dbraw/zinc/04/36/25/524043625.db2.gz	OVALUAZQWTVGQS-NDEPHWFRSA-N	0	0	440.543	5.884	50	30		IKEARN
CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000009631242	524063366	/nfs/dbraw/zinc/06/33/66/524063366.db2.gz	QYOMNXBIBKODNW-UHFFFAOYSA-N	0	0	430.529	5.376	50	30		IKEARN
CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccc(C)cc2)C1=O	ZINC000003041364	524066365	/nfs/dbraw/zinc/06/63/65/524066365.db2.gz	UMMFCOCAIZSBPS-COOPMVRXSA-N	0	0	442.588	5.103	50	30		IKEARN
CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2C)C1=O	ZINC000003041686	524066380	/nfs/dbraw/zinc/06/63/80/524066380.db2.gz	LIGZZNOWZBXPDQ-COOPMVRXSA-N	0	0	442.588	5.103	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1	ZINC000032946176	524071736	/nfs/dbraw/zinc/07/17/36/524071736.db2.gz	MYCCBXNBDXDKJW-UHFFFAOYSA-N	0	0	446.982	5.333	50	30		IKEARN
COc1ccc(CO/N=C(\c2ccc(OC)cc2)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)cc1	ZINC000008857109	524109820	/nfs/dbraw/zinc/10/98/20/524109820.db2.gz	CTIPLYGVRCKMJB-RNVVAPDXSA-N	0	0	431.488	5.157	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2C)cc1	ZINC000008439394	524110404	/nfs/dbraw/zinc/11/04/04/524110404.db2.gz	OBYCXPGPWMCKQI-VWLOTQADSA-N	0	0	445.559	5.351	50	30		IKEARN
COc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1	ZINC000012952076	524110640	/nfs/dbraw/zinc/11/06/40/524110640.db2.gz	FYNXQFFDOCMWND-JFLMPSFJSA-N	0	0	448.975	6.740	50	30		IKEARN
COc1cccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1	ZINC000012888916	524113639	/nfs/dbraw/zinc/11/36/39/524113639.db2.gz	KKBDZNJFNMHIIW-FQEVSTJZSA-N	0	0	429.516	5.064	50	30	biogenic	IKEARN
C[C@H](CCC#N)Sc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1	ZINC000240321614	524114946	/nfs/dbraw/zinc/11/49/46/524114946.db2.gz	FARUJJLVHFTRHP-OAHLLOKOSA-N	0	0	437.619	5.954	50	30		IKEARN
Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)c1	ZINC000002417597	524119950	/nfs/dbraw/zinc/11/99/50/524119950.db2.gz	ZRRWCRFZUFIQIJ-OAQYLSRUSA-N	0	0	436.515	5.267	50	30		IKEARN
Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)c1	ZINC000013575571	524208913	/nfs/dbraw/zinc/20/89/13/524208913.db2.gz	OQZASONRRBHPCD-OYUWMTPXSA-N	0	0	429.523	5.588	50	30		IKEARN
COc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C=C2\N(C)c3ccccc3C2(C)C)o1	ZINC000096931250	524292176	/nfs/dbraw/zinc/29/21/76/524292176.db2.gz	OHTXOTIBCSORPK-JTMDUIFQSA-N	0	0	435.549	5.106	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000008836542	524313886	/nfs/dbraw/zinc/31/38/86/524313886.db2.gz	RQAYOPCVMZJAMY-PKNBQFBNSA-N	0	0	437.835	5.372	50	30		IKEARN
COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC(C)C)cc1)c1nc2ccccc2o1	ZINC000009050974	524315519	/nfs/dbraw/zinc/31/55/19/524315519.db2.gz	CKAOPUXNKXQXMS-BGJMBHFQSA-N	0	0	439.511	6.603	50	30		IKEARN
Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1	ZINC000230187415	524331974	/nfs/dbraw/zinc/33/19/74/524331974.db2.gz	YYJOHIQCSCXTOM-OIKPOIBNSA-N	0	0	444.538	5.291	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1	ZINC000032916755	524360751	/nfs/dbraw/zinc/36/07/51/524360751.db2.gz	UXLQBWYTNXBIJY-RGVLZGJSSA-N	0	0	443.355	6.762	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O	ZINC000002135124	524363221	/nfs/dbraw/zinc/36/32/21/524363221.db2.gz	FCNXREDFYNNIRS-OOHHOYHOSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
COc1ccc(N2C(SC)=N/C(=N\c3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1	ZINC000020805770	524401888	/nfs/dbraw/zinc/40/18/88/524401888.db2.gz	LOEPTDISXDYMEV-COOPMVRXSA-N	0	0	449.664	7.248	50	30		IKEARN
COc1ccc(N2C(SC)=N/C(=N\c3ccc(Cl)cc3)C23CCC(C)CC3)cc1	ZINC000008445543	524401948	/nfs/dbraw/zinc/40/19/48/524401948.db2.gz	JZCBHVKCCIGOQQ-DAFNUICNSA-N	0	0	428.001	6.567	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943056	524408785	/nfs/dbraw/zinc/40/87/85/524408785.db2.gz	DHGSSJLJYUFOBS-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc(Nc3ccccc3F)s2)c1	ZINC000003345871	524409781	/nfs/dbraw/zinc/40/97/81/524409781.db2.gz	KXPZDYWWAOSQTO-UHFFFAOYSA-N	0	0	441.557	5.077	50	30		IKEARN
Cc1cc(C)cc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)c1	ZINC000021722334	524427795	/nfs/dbraw/zinc/42/77/95/524427795.db2.gz	TVHYJLMBXAXXSD-VWLOTQADSA-N	0	0	443.572	6.577	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)ccc3C)S2(=O)=O)cc1	ZINC000020558800	524486074	/nfs/dbraw/zinc/48/60/74/524486074.db2.gz	FMXTUEWLEWHGNM-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
COc1ccccc1COc1ccc2c(c1C)O/C(=C\c1cn(C)c3ccccc13)C2=O	ZINC000028182531	524495245	/nfs/dbraw/zinc/49/52/45/524495245.db2.gz	GILGVDMLVJYXSX-QFEZKATASA-N	0	0	425.484	5.691	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2cccc(O)c2)c1	ZINC000013286085	524530890	/nfs/dbraw/zinc/53/08/90/524530890.db2.gz	POPSVHWYECIZRI-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2C(F)(F)F)n1	ZINC000018055282	524580741	/nfs/dbraw/zinc/58/07/41/524580741.db2.gz	GCNGHUCAMXSTCS-OAQYLSRUSA-N	0	0	441.453	5.015	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C)cc1	ZINC000006407300	524584428	/nfs/dbraw/zinc/58/44/28/524584428.db2.gz	NZSJVRGPRFEVNE-DEOSSOPVSA-N	0	0	430.548	5.246	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1	ZINC000006015296	524585867	/nfs/dbraw/zinc/58/58/67/524585867.db2.gz	PNVVJAWMSSGWSM-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
Cc1cccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C	ZINC000021722674	524597017	/nfs/dbraw/zinc/59/70/17/524597017.db2.gz	YVLTZMSDPDMRNI-MHZLTWQESA-N	0	0	441.531	5.515	50	30		IKEARN
Cc1cccc(Nc2nc(N=NCc3ccccc3Cl)nc(N3CCC(C)CC3)n2)c1C	ZINC000006443256	524700299	/nfs/dbraw/zinc/70/02/99/524700299.db2.gz	HTEIWRFYHAFGCU-CVKSISIWSA-N	0	0	449.990	5.568	50	30		IKEARN
COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nn21	ZINC000097964553	524747261	/nfs/dbraw/zinc/74/72/61/524747261.db2.gz	SLKIPFXXLBNJEZ-JOCHJYFZSA-N	0	0	446.576	5.237	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1cccs1	ZINC000000781601	524749667	/nfs/dbraw/zinc/74/96/67/524749667.db2.gz	CPBIHIHWHZSILW-FYSMJZIKSA-N	0	0	437.561	5.070	50	30		IKEARN
COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)c1	ZINC000012758468	524802545	/nfs/dbraw/zinc/80/25/45/524802545.db2.gz	LCRZPVZAWGOBSF-JXMROGBWSA-N	0	0	436.533	5.358	50	30		IKEARN
COc1ccc(OC)c(C(=O)/C=C\c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1	ZINC000096924495	524803642	/nfs/dbraw/zinc/80/36/42/524803642.db2.gz	GSRYHTAHKLCQAW-YVMONPNESA-N	0	0	444.459	5.019	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2	ZINC000000717696	524803462	/nfs/dbraw/zinc/80/34/62/524803462.db2.gz	UZUXXFJQRCTHNQ-MWTRTKDXSA-N	0	0	437.561	5.070	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2	ZINC000013568665	524804933	/nfs/dbraw/zinc/80/49/33/524804933.db2.gz	FRACDMYJQALVPS-CRYYWNKWSA-N	0	0	440.499	5.403	50	30		IKEARN
Cc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4C)cnn32)c1	ZINC000064775594	524887656	/nfs/dbraw/zinc/88/76/56/524887656.db2.gz	ZWXQAHWHZDTBJO-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1	ZINC000013568520	524894146	/nfs/dbraw/zinc/89/41/46/524894146.db2.gz	SYCGTWZEFYLLFC-UTKZUKDTSA-N	0	0	433.548	5.006	50	30		IKEARN
Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccccc2C)cc1	ZINC000013285663	524918641	/nfs/dbraw/zinc/91/86/41/524918641.db2.gz	SPBFAUGXCXAEJD-SLJQUXCSSA-N	0	0	443.597	6.482	50	30		IKEARN
COc1nc(N)c2c(c1C#N)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000078549524	524977041	/nfs/dbraw/zinc/97/70/41/524977041.db2.gz	FEEPHGRPKJSATG-MRXNPFEDSA-N	0	0	443.334	5.051	50	30		IKEARN
Cc1ccc(N2N=C(C(=O)c3cccs3)SC2=C2C(=O)c3ccccc3C2=O)cc1	ZINC000008636738	524987444	/nfs/dbraw/zinc/98/74/44/524987444.db2.gz	AKZUQHQAKVTRKY-UHFFFAOYSA-N	0	0	430.510	5.097	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2Cl)nc1	ZINC000013319820	525020082	/nfs/dbraw/zinc/02/00/82/525020082.db2.gz	UDMMNQOSUANUMY-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2c(F)cccc2Cl)C(=O)N1c1ccccc1C	ZINC000002082888	525042428	/nfs/dbraw/zinc/04/24/28/525042428.db2.gz	BKUSRCLCTMTBJE-XRKKSIEBSA-N	0	0	436.939	6.905	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1C	ZINC000021722340	525151142	/nfs/dbraw/zinc/15/11/42/525151142.db2.gz	CPCSBTWPGGDKEM-RUZDIDTESA-N	0	0	443.572	6.577	50	30		IKEARN
C[C@@H]1C[C@@H](C)C[NH+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1	ZINC000020647081	525210732	/nfs/dbraw/zinc/21/07/32/525210732.db2.gz	ASMRQDHESBTGRW-WIEWCVORSA-N	0	0	432.347	5.793	50	30		IKEARN
Cc1ccccc1NN=Cc1sc(=O)n(Cc2ccc(Br)cc2)c1Cl	ZINC000013688507	525219484	/nfs/dbraw/zinc/21/94/84/525219484.db2.gz	KWXRSGIREHELFM-UFFVCSGVSA-N	0	0	436.762	5.128	50	30		IKEARN
COc1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c(OC)c1OC	ZINC000013218505	525228481	/nfs/dbraw/zinc/22/84/81/525228481.db2.gz	UFCRYBCNWONLPH-FQEVSTJZSA-N	0	0	445.515	5.490	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC	ZINC000000883255	525230770	/nfs/dbraw/zinc/23/07/70/525230770.db2.gz	NOHJYOJEXDRYDO-MYUZEXMDSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1	ZINC000009488026	525231084	/nfs/dbraw/zinc/23/10/84/525231084.db2.gz	ODYMRBPZHOQQTA-FNZWTVRRSA-N	0	0	447.534	5.699	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000681875	525231283	/nfs/dbraw/zinc/23/12/83/525231283.db2.gz	UNQYSMUMZWEZGU-HFJWLAOPSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1	ZINC000018324595	525232559	/nfs/dbraw/zinc/23/25/59/525232559.db2.gz	KFMRSICDARYYBV-PPHZAIPVSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1	ZINC000009089757	525233661	/nfs/dbraw/zinc/23/36/61/525233661.db2.gz	VRGBYQUSAQYZMH-OWJWWREXSA-N	0	0	431.448	5.176	50	30		IKEARN
Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1	ZINC000021722374	525250792	/nfs/dbraw/zinc/25/07/92/525250792.db2.gz	OXCAGMKLVXIXBK-DEOSSOPVSA-N	0	0	429.545	6.269	50	30		IKEARN
Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccco1	ZINC000021722224	525251907	/nfs/dbraw/zinc/25/19/07/525251907.db2.gz	DORAZSQIUSYLDV-RUZDIDTESA-N	0	0	441.531	6.437	50	30		IKEARN
Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	ZINC000021722376	525252052	/nfs/dbraw/zinc/25/20/52/525252052.db2.gz	OXCAGMKLVXIXBK-XMMPIXPASA-N	0	0	429.545	6.269	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O	ZINC000009601032	525269449	/nfs/dbraw/zinc/26/94/49/525269449.db2.gz	NKJHSBJSERJWFG-DFXYEROKSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1ccc([C@@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC	ZINC000021045889	525280849	/nfs/dbraw/zinc/28/08/49/525280849.db2.gz	ZHMYFFHNMLYBPX-AREMUKBSSA-N	0	0	444.600	5.663	50	30		IKEARN
COc1ccc([C@@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1	ZINC000055196350	525285659	/nfs/dbraw/zinc/28/56/59/525285659.db2.gz	GCCKQEUVFUTUKS-PMERELPUSA-N	0	0	435.567	6.252	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)C2=O	ZINC000252512660	525348873	/nfs/dbraw/zinc/34/88/73/525348873.db2.gz	UILXPFRZQGQVFT-CWEZVVOXSA-N	0	0	442.546	6.174	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000245241334	525348893	/nfs/dbraw/zinc/34/88/93/525348893.db2.gz	ANTLLZHQDMIOLB-ZKDRPRCISA-N	0	0	447.446	6.959	50	30	biogenic	IKEARN
COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000000666739	525387959	/nfs/dbraw/zinc/38/79/59/525387959.db2.gz	TZHQCUTUDAQUHL-LVXARBLLSA-N	0	0	445.559	5.256	50	30		IKEARN
COc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1	ZINC000065165009	525394499	/nfs/dbraw/zinc/39/44/99/525394499.db2.gz	VVIRSLMAFQMSQF-QFIPXVFZSA-N	0	0	446.576	5.237	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1	ZINC000018143242	525398374	/nfs/dbraw/zinc/39/83/74/525398374.db2.gz	GDCZHXZFINBTRP-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1nc(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)[nH]c1Cc1ccccc1	ZINC000012550615	525413956	/nfs/dbraw/zinc/41/39/56/525413956.db2.gz	FHIFBRDJJJMDPX-CQSZACIVSA-N	0	0	436.606	5.098	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)OCc1ccccc1	ZINC000012445216	525445528	/nfs/dbraw/zinc/44/55/28/525445528.db2.gz	DJWUJXOFCGPZHH-FQEVSTJZSA-N	0	0	425.315	6.706	50	30		IKEARN
COc1ccc([C@]2(N3CCCCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1	ZINC000055196355	525445846	/nfs/dbraw/zinc/44/58/46/525445846.db2.gz	GCCKQEUVFUTUKS-SSEXGKCCSA-N	0	0	435.567	6.252	50	30		IKEARN
Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)[C@H](C#N)c2nc3ccccc3[nH]2)cc1	ZINC000105726849	525484279	/nfs/dbraw/zinc/48/42/79/525484279.db2.gz	WEDSNXWNOUSWQX-OHMGWRBWSA-N	0	0	448.935	5.010	50	30		IKEARN
Cc1c(/C(CSc2ccc(Cl)cc2)=N/OCc2ccc(C)cc2)sc2ncnn12	ZINC000012338624	525513779	/nfs/dbraw/zinc/51/37/79/525513779.db2.gz	LWSKBUBDWBUGPY-NCELDCMTSA-N	0	0	442.997	5.774	50	30		IKEARN
COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000008431159	525532989	/nfs/dbraw/zinc/53/29/89/525532989.db2.gz	ZXOVSPPEKNYKJJ-HDURRZNMSA-N	0	0	439.353	5.274	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1c3ccccc3cc3ccccc31)C1=C(CC(C)(C)CC1=O)N2	ZINC000009462460	525591566	/nfs/dbraw/zinc/59/15/66/525591566.db2.gz	XOJYKUMIUPRRGA-PMERELPUSA-N	0	0	446.594	7.832	50	30		IKEARN
COc1ccc2c(c1)oc(C(=O)NCc1cnc(Br)s1)c2-c1ccccc1	ZINC000328591538	525609893	/nfs/dbraw/zinc/60/98/93/525609893.db2.gz	YXWHZODBWHDRBL-UHFFFAOYSA-N	0	0	443.322	5.832	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000008413282	525674893	/nfs/dbraw/zinc/67/48/93/525674893.db2.gz	VVJIIMFCLMYORP-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2n[nH]c(-c3cccs3)n2)c1C#N	ZINC000012778814	525680500	/nfs/dbraw/zinc/68/05/00/525680500.db2.gz	DCGQKVRGKBRRRN-UHFFFAOYSA-N	0	0	440.598	5.059	50	30		IKEARN
COc1cccc(-c2nc(CSc3nc4ccccc4n3CCC#N)cs2)c1OC	ZINC000021332191	525724072	/nfs/dbraw/zinc/72/40/72/525724072.db2.gz	DNTJTOIXPKSXQK-UHFFFAOYSA-N	0	0	436.562	5.383	50	30		IKEARN
Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1	ZINC000012250947	525746083	/nfs/dbraw/zinc/74/60/83/525746083.db2.gz	WTACJEOAJDKNFF-UHFFFAOYSA-N	0	0	444.585	5.471	50	30		IKEARN
Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)S1	ZINC000009720895	525749850	/nfs/dbraw/zinc/74/98/50/525749850.db2.gz	DAWPIDWECXUDLA-XDHOZWIPSA-N	0	0	428.344	5.984	50	30		IKEARN
Cc1ccc(-c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C	ZINC000002137990	525754843	/nfs/dbraw/zinc/75/48/43/525754843.db2.gz	VPQBICXEWXSGIE-PMERELPUSA-N	0	0	447.578	8.026	50	30		IKEARN
COc1cccc(/C=C\C(=O)c2c(-c3ccccc3)nc3n(C)c4ccccc4n32)c1OC	ZINC000039151948	525770874	/nfs/dbraw/zinc/77/08/74/525770874.db2.gz	BXESZVNFNSBGGR-MSUUIHNZSA-N	0	0	437.499	5.406	50	30		IKEARN
COc1cccc(/C=N\c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O	ZINC000014406266	525777409	/nfs/dbraw/zinc/77/74/09/525777409.db2.gz	BUQGKAQAPLIGJV-QFEZKATASA-N	0	0	445.500	6.159	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(Cl)c4)cc3)n2)cc1	ZINC000014257490	525780745	/nfs/dbraw/zinc/78/07/45/525780745.db2.gz	GLVYJESJHVTGDT-VULFUBBASA-N	0	0	447.947	6.437	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000844370	525787829	/nfs/dbraw/zinc/78/78/29/525787829.db2.gz	AAZBNMRMPZSCQJ-RUZDIDTESA-N	0	0	429.560	5.385	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1	ZINC000002151319	525790283	/nfs/dbraw/zinc/79/02/83/525790283.db2.gz	DGRQHEBQMCKXCC-VWLOTQADSA-N	0	0	434.539	5.659	50	30		IKEARN
Cc1ccsc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O	ZINC000008990379	525817149	/nfs/dbraw/zinc/81/71/49/525817149.db2.gz	JRINUCJPJLYVPP-WQRHYEAKSA-N	0	0	432.906	5.094	50	30		IKEARN
Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)ccc3o2)cc1	ZINC000002186558	525822982	/nfs/dbraw/zinc/82/29/82/525822982.db2.gz	JDBFIODEXNKCJN-CCVNUDIWSA-N	0	0	447.321	8.121	50	30		IKEARN
COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c1	ZINC000008926455	525840479	/nfs/dbraw/zinc/84/04/79/525840479.db2.gz	OLBCKYDERUTZPG-CYXNTTPDSA-N	0	0	449.485	5.119	50	30		IKEARN
COc1cccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)c1	ZINC000065304885	525848044	/nfs/dbraw/zinc/84/80/44/525848044.db2.gz	PUFCJBWIXGSCTL-UHFFFAOYSA-N	0	0	447.579	5.168	50	30		IKEARN
Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1O	ZINC000016677620	525879385	/nfs/dbraw/zinc/87/93/85/525879385.db2.gz	UQMRCWXEQOSUKE-WYMPLXKRSA-N	0	0	449.308	5.225	50	30		IKEARN
Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccccc2)COC(C)(C)C4)cc1	ZINC000036077383	525894250	/nfs/dbraw/zinc/89/42/50/525894250.db2.gz	JVVBGAUUMSLVNP-VULFUBBASA-N	0	0	444.560	5.053	50	30		IKEARN
Cc1ccc(-n2c(SCc3cn4ccccc4c3C#N)nc3ccccc3c2=O)cc1F	ZINC000014801911	525900937	/nfs/dbraw/zinc/90/09/37/525900937.db2.gz	NPPBVOWZEALZRU-UHFFFAOYSA-N	0	0	440.503	5.250	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1	ZINC000253498506	525914403	/nfs/dbraw/zinc/91/44/03/525914403.db2.gz	BKFIBDWKIPCPQA-YKLNZBLLSA-N	0	0	441.597	5.755	50	30		IKEARN
Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1	ZINC000049574102	525967683	/nfs/dbraw/zinc/96/76/83/525967683.db2.gz	HUZVKOFPDNLRPL-HSZRJFAPSA-N	0	0	427.479	5.056	50	30		IKEARN
Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	ZINC000328591507	525977887	/nfs/dbraw/zinc/97/78/87/525977887.db2.gz	NOJSUQRFZNVUIH-HJPURHCSSA-N	0	0	428.454	6.272	50	30		IKEARN
Cc1ccc([C@H](O)c2ccccn2)cc1NC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1	ZINC000328591508	525977979	/nfs/dbraw/zinc/97/79/79/525977979.db2.gz	NOJSUQRFZNVUIH-MWTRTKDXSA-N	0	0	428.454	6.272	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4C)nn32)cc1	ZINC000020850011	525986641	/nfs/dbraw/zinc/98/66/41/525986641.db2.gz	UXZRGWIVQOCFRW-QHCPKHFHSA-N	0	0	444.604	5.845	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000000864454	526024918	/nfs/dbraw/zinc/02/49/18/526024918.db2.gz	XLTUYEOKLDGWRD-OXQOHEQNSA-N	0	0	446.330	5.059	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000000864453	526025225	/nfs/dbraw/zinc/02/52/25/526025225.db2.gz	XLTUYEOKLDGWRD-UZLBHIALSA-N	0	0	446.330	5.059	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Cl)c2)cc1F	ZINC000009472404	526028337	/nfs/dbraw/zinc/02/83/37/526028337.db2.gz	PLILWHSEBIIFHH-FQEVSTJZSA-N	0	0	425.843	5.159	50	30		IKEARN
Cc1ccc([C@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1	ZINC000008857097	526034019	/nfs/dbraw/zinc/03/40/19/526034019.db2.gz	OCXRYRIXDALDHC-VBSVLOKRSA-N	0	0	442.317	6.806	50	30		IKEARN
Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@@H]2C(=O)Nc2ccccc2)cc1	ZINC000036556583	526044904	/nfs/dbraw/zinc/04/49/04/526044904.db2.gz	OJPIWRXLXMPYGY-NXCFDTQHSA-N	0	0	438.527	5.117	50	30		IKEARN
COc1cccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1	ZINC000002130912	526062202	/nfs/dbraw/zinc/06/22/02/526062202.db2.gz	KLOVVVTVQKMDMX-IOFNULOHSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000027520697	526090287	/nfs/dbraw/zinc/09/02/87/526090287.db2.gz	WVSGKKHBDQIDEU-XKZIYDEJSA-N	0	0	435.980	6.256	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1	ZINC000002305462	526091258	/nfs/dbraw/zinc/09/12/58/526091258.db2.gz	ODEYDXCZDABXND-OYKKKHCWSA-N	0	0	429.589	6.219	50	30		IKEARN
COc1cccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984414	526142074	/nfs/dbraw/zinc/14/20/74/526142074.db2.gz	SOPIDXSAMDZJFX-UHFFFAOYSA-N	0	0	437.492	5.101	50	30		IKEARN
Cc1ccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1	ZINC000009345079	526224210	/nfs/dbraw/zinc/22/42/10/526224210.db2.gz	LFHDFAJBDCQQEU-LUOAPIJWSA-N	0	0	429.936	6.314	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000036611324	526226634	/nfs/dbraw/zinc/22/66/34/526226634.db2.gz	WXHHTZMORISANW-LSHDLFTRSA-N	0	0	449.319	5.621	50	30		IKEARN
Cc1ccc(C(=O)Nc2sc(N=NCc3cccc(O)c3)nc2-c2ccc(F)cc2)cc1	ZINC000040221137	526230320	/nfs/dbraw/zinc/23/03/20/526230320.db2.gz	RGIDEJKULFDTHR-VULFUBBASA-N	0	0	446.507	5.662	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000009241267	526269323	/nfs/dbraw/zinc/26/93/23/526269323.db2.gz	GRPZPOJIPMCRJD-HXUWFJFHSA-N	0	0	439.298	5.167	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009993312	526269981	/nfs/dbraw/zinc/26/99/81/526269981.db2.gz	ISYJWWGJKBBYDV-FQEVSTJZSA-N	0	0	430.460	5.218	50	30		IKEARN
Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(Sc2ccc(C)c(C)c2)cc1	ZINC000012749615	526276921	/nfs/dbraw/zinc/27/69/21/526276921.db2.gz	OZDWSTFPUUGINI-UHFFFAOYSA-N	0	0	432.593	5.753	50	30		IKEARN
Fc1c(F)c(F)c(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(F)c1F	ZINC000013303703	526291698	/nfs/dbraw/zinc/29/16/98/526291698.db2.gz	YVEFTAVSQOUNHO-XKJRVUDJSA-N	0	0	440.375	5.952	50	30		IKEARN
Fc1c(F)c(F)c(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(F)c1F	ZINC000023549845	526291892	/nfs/dbraw/zinc/29/18/92/526291892.db2.gz	DSKYIAADLLHCJW-IPBVOBEMSA-N	0	0	441.363	5.347	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2cccc(Cl)c2)o1	ZINC000036245406	526292358	/nfs/dbraw/zinc/29/23/58/526292358.db2.gz	LLOJMQJODMHCLP-FEDGQQDLSA-N	0	0	436.714	6.621	50	30		IKEARN
Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C\c1cc2ccccc2nc1N1CCCCC1	ZINC000096925878	526315335	/nfs/dbraw/zinc/31/53/35/526315335.db2.gz	LYBFHVUFWQIZMB-PFONDFGASA-N	0	0	449.558	5.569	50	30		IKEARN
Fc1ccc(Br)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl	ZINC000066088698	526325020	/nfs/dbraw/zinc/32/50/20/526325020.db2.gz	YUQSGCSWISKEAA-GEVRCRHISA-N	0	0	430.026	6.360	50	30		IKEARN
O=C1c2ccccc2-c2onc3c2c1c(Nc1ccc(Cl)cc1)cc3NC1CCCCC1	ZINC000013196185	526331941	/nfs/dbraw/zinc/33/19/41/526331941.db2.gz	YLHISJNLEAUPRF-VFCFBJKWSA-N	0	0	443.934	6.738	50	30		IKEARN
Oc1ccc(Br)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000004290264	526342078	/nfs/dbraw/zinc/34/20/78/526342078.db2.gz	FUFSFVAKTXNFQT-IFRROFPPSA-N	0	0	443.153	6.031	50	30		IKEARN
Oc1ccc(Cl)cc1/C=N/c1ccc(Sc2ccccc2)nc1Sc1ccccc1	ZINC000012369282	526346709	/nfs/dbraw/zinc/34/67/09/526346709.db2.gz	FWSSKZRWFSIDML-WGOQTCKBSA-N	0	0	449.000	7.494	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1ccc(-c2nn3c(nnc3C(F)(F)F)s2)cc1	ZINC000095471419	526353933	/nfs/dbraw/zinc/35/39/33/526353933.db2.gz	ZZRNSWCMOYMPER-OPEKNORGSA-N	0	0	439.422	5.481	50	30		IKEARN
Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@@H]12	ZINC000013381956	526370476	/nfs/dbraw/zinc/37/04/76/526370476.db2.gz	PPJFANUQDXSZTQ-JHISGHLCSA-N	0	0	426.516	5.656	50	30		IKEARN
O=C([O-])c1ccc(NC(NCCc2ccccc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304882	526372062	/nfs/dbraw/zinc/37/20/62/526372062.db2.gz	QJOXCQIISNGEIT-UHFFFAOYSA-N	0	0	431.580	5.201	50	30		IKEARN
S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000020617928	526389478	/nfs/dbraw/zinc/38/94/78/526389478.db2.gz	SQQAKIHQSHVXGW-ZVBGSRNCSA-N	0	0	435.292	5.188	50	30		IKEARN
S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000020617934	526389977	/nfs/dbraw/zinc/38/99/77/526389977.db2.gz	WHJUXPWJZGURKU-ZVBGSRNCSA-N	0	0	435.292	5.188	50	30		IKEARN
S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000020617912	526390035	/nfs/dbraw/zinc/39/00/35/526390035.db2.gz	CKTDDALBOXHIIJ-ZVBGSRNCSA-N	0	0	435.292	5.188	50	30		IKEARN
S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000020617949	526390244	/nfs/dbraw/zinc/39/02/44/526390244.db2.gz	QNBGBMPQDRWLHJ-ZVBGSRNCSA-N	0	0	435.292	5.188	50	30		IKEARN
O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1sc2ccccc2c1Cl	ZINC000002184300	526416355	/nfs/dbraw/zinc/41/63/55/526416355.db2.gz	APYSAELTYBRNRZ-UHFFFAOYSA-N	0	0	440.933	5.557	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000013563179	526429153	/nfs/dbraw/zinc/42/91/53/526429153.db2.gz	AKIZFOBIXPHFNG-GVAUOCQISA-N	0	0	435.914	5.624	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000016034235	526429678	/nfs/dbraw/zinc/42/96/78/526429678.db2.gz	OXCIYJZVMDHYKH-VXNXHJTFSA-N	0	0	436.902	5.019	50	30		IKEARN
N#CCCN(C(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2)c1ccccc1	ZINC000006190266	526451050	/nfs/dbraw/zinc/45/10/50/526451050.db2.gz	UQCAEUADGDICBS-UHFFFAOYSA-N	0	0	442.544	5.131	50	30		IKEARN
N#CCCN(C(=O)CSc1ncnc2sc(-c3ccccc3)cc21)c1ccccc1	ZINC000002625268	526452463	/nfs/dbraw/zinc/45/24/63/526452463.db2.gz	WXAFOPCKWSYWJM-UHFFFAOYSA-N	0	0	430.558	5.397	50	30		IKEARN
N#CCCN(Cc1ccco1)C(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1	ZINC000058214645	526457939	/nfs/dbraw/zinc/45/79/39/526457939.db2.gz	AOOFRMRPQAWUIK-CCEZHUSRSA-N	0	0	436.515	5.147	50	30		IKEARN
c1ccc(-c2nc(N=NC(c3ccccc3)c3ccccc3)sc2-c2ccccc2)cc1	ZINC000013302866	526460760	/nfs/dbraw/zinc/46/07/60/526460760.db2.gz	QJMHXEBAENCNNB-UHFFFAOYSA-N	0	0	431.564	7.342	50	30		IKEARN
N#CCCSc1sc(=S)sc1SCc1c(F)c(F)c(F)c(F)c1F	ZINC000027552236	526463184	/nfs/dbraw/zinc/46/31/84/526463184.db2.gz	AYWVJAHBIKPEDF-UHFFFAOYSA-N	0	0	431.523	6.533	50	30		IKEARN
N#CCCn1cc(-c2csc(C3(NC(=O)c4ccccc4)CCCC3)n2)c2ccccc21	ZINC000072284612	526465779	/nfs/dbraw/zinc/46/57/79/526465779.db2.gz	SKLAAAIRSDVMMO-UHFFFAOYSA-N	0	0	440.572	5.878	50	30		IKEARN
N#CCCn1cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc32)c2ccccc21	ZINC000009349355	526465881	/nfs/dbraw/zinc/46/58/81/526465881.db2.gz	PBLDJAUKUCQIBG-UHFFFAOYSA-N	0	0	440.450	5.492	50	30		IKEARN
N#CCCn1cc(/C=C\C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21	ZINC000096578747	526466892	/nfs/dbraw/zinc/46/68/92/526466892.db2.gz	VLEYJOXJXIIDKX-CBUFDYBVSA-N	0	0	440.572	5.584	50	30		IKEARN
N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1	ZINC000012679138	526477474	/nfs/dbraw/zinc/47/74/74/526477474.db2.gz	CLDAPYQAJOSBJS-NRFANRHFSA-N	0	0	425.604	5.011	50	30		IKEARN
N#CCSc1ccccc1C(=O)Nc1cc(C(F)(F)F)ccc1NC1CCCCC1	ZINC000009223481	526477929	/nfs/dbraw/zinc/47/79/29/526477929.db2.gz	DIEBXXAYCIOMJN-UHFFFAOYSA-N	0	0	433.499	6.318	50	30		IKEARN
N#CCSc1ccccc1NC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1	ZINC000013132185	526478771	/nfs/dbraw/zinc/47/87/71/526478771.db2.gz	IAVKZJGIXBUBAN-UHFFFAOYSA-N	0	0	436.920	5.204	50	30		IKEARN
N#C[C@@H](c1ccc(C(F)(F)F)cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F	ZINC000049722795	526496471	/nfs/dbraw/zinc/49/64/71/526496471.db2.gz	HSDUHHRMMLNVIQ-LBPRGKRZSA-N	0	0	449.276	6.342	50	30		IKEARN
N#Cc1c(SC/C=C\c2ccccc2)nc(-c2cccs2)cc1-c1ccc(Cl)cc1	ZINC000035239767	526530104	/nfs/dbraw/zinc/53/01/04/526530104.db2.gz	RFQOJYVERUCWIM-YWEYNIOJSA-N	0	0	445.012	7.808	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)nc2)nsc1SCc1ccc(Cl)nc1	ZINC000012374858	526530885	/nfs/dbraw/zinc/53/08/85/526530885.db2.gz	FOMWYTMIXIIIOB-UHFFFAOYSA-N	0	0	425.391	5.696	50	30		IKEARN
O=C(c1cc(Br)cc(Br)c1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000039957478	526600205	/nfs/dbraw/zinc/60/02/05/526600205.db2.gz	WYVCRFJVDBZRMR-UHFFFAOYSA-N	0	0	431.927	5.227	50	30		IKEARN
N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)CC2)cc1	ZINC000012882671	526613166	/nfs/dbraw/zinc/61/31/66/526613166.db2.gz	ULJKHIFCZNJIFZ-UHFFFAOYSA-N	0	0	440.330	5.083	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)Nc2cccc(N3CCCC3=O)c2)cc1	ZINC000009544327	526631698	/nfs/dbraw/zinc/63/16/98/526631698.db2.gz	NLYJXOFMYWTIKH-UHFFFAOYSA-N	0	0	427.529	5.230	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000028051614	526675386	/nfs/dbraw/zinc/67/53/86/526675386.db2.gz	HYLJVUKIDKABHT-IIBYNOLFSA-N	0	0	435.321	5.704	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)c1ccc(Br)s1	ZINC000012685312	526733524	/nfs/dbraw/zinc/73/35/24/526733524.db2.gz	KRJZLDCNWYASNJ-UHFFFAOYSA-N	0	0	426.291	5.089	50	30		IKEARN
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccccc3Br)o2)cc1	ZINC000012808450	526734192	/nfs/dbraw/zinc/73/41/92/526734192.db2.gz	BYFXTCGPAMTNDW-UHFFFAOYSA-N	0	0	448.345	6.330	50	30		IKEARN
N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1	ZINC000012741966	526755764	/nfs/dbraw/zinc/75/57/64/526755764.db2.gz	WQSKPSLBMSEYEM-UHFFFAOYSA-N	0	0	438.343	5.718	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cc(F)ccc1F	ZINC000021722706	526827292	/nfs/dbraw/zinc/82/72/92/526827292.db2.gz	SALLTGFYYHQWOM-RUZDIDTESA-N	0	0	449.457	5.177	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1cccs1	ZINC000021722014	526827429	/nfs/dbraw/zinc/82/74/29/526827429.db2.gz	OYIXWMWGAKURDO-XMMPIXPASA-N	0	0	449.601	5.106	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(Cl)c1	ZINC000020503313	526827555	/nfs/dbraw/zinc/82/75/55/526827555.db2.gz	GVCOSNNIEQJSJB-VWLOTQADSA-N	0	0	447.922	5.552	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccc(F)cc1	ZINC000020503277	526827665	/nfs/dbraw/zinc/82/76/65/526827665.db2.gz	WELQRRHHIWMLIL-RUZDIDTESA-N	0	0	431.467	5.038	50	30		IKEARN
Clc1cc(Cl)c(NN=C2c3ccccc3N=C2SCc2ccccc2)c(Cl)c1	ZINC000012960109	526928272	/nfs/dbraw/zinc/92/82/72/526928272.db2.gz	LKLZISKBWBHKLX-XHPQRKPJSA-N	0	0	446.790	7.440	50	30		IKEARN
Clc1ccc(-c2csc(N=NCc3ccccc3Br)n2)c(Cl)c1	ZINC000031854533	526934783	/nfs/dbraw/zinc/93/47/83/526934783.db2.gz	NSZZMAWGLFMJOS-ZBKNUEDVSA-N	0	0	427.154	6.325	50	30		IKEARN
O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N/c2ccccc2)N1c1ccccc1	ZINC000008826726	526938554	/nfs/dbraw/zinc/93/85/54/526938554.db2.gz	DZJPWZNHDUOBSF-SOMGSRHFSA-N	0	0	425.340	6.802	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C/c1ccc(Br)cc1	ZINC000001622718	526939801	/nfs/dbraw/zinc/93/98/01/526939801.db2.gz	HXRSOYCNABLYMF-RFTYBOQRSA-N	0	0	432.155	6.432	50	30		IKEARN
O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000000980391	526941696	/nfs/dbraw/zinc/94/16/96/526941696.db2.gz	SGHLRBWIKNDLHE-PFMNSIPKSA-N	0	0	429.545	5.684	50	30		IKEARN
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2c(cc1F)NC(=O)CC2	ZINC000069351659	526943430	/nfs/dbraw/zinc/94/34/30/526943430.db2.gz	HUPZVTKHYISIMX-UHFFFAOYSA-N	0	0	435.295	5.010	50	30		IKEARN
Clc1ccc(Cl)c(N=C2NC(=Nc3cc(Cl)ccc3Cl)c3ccccc32)c1	ZINC000013303574	526952672	/nfs/dbraw/zinc/95/26/72/526952672.db2.gz	FPDNVSWHHYEFOA-UHFFFAOYSA-N	0	0	435.141	7.060	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccc(Cl)c1	ZINC000102752277	526955753	/nfs/dbraw/zinc/95/57/53/526955753.db2.gz	OQOWORRFRKYSAD-HOGKFDNTSA-N	0	0	444.874	5.103	50	30		IKEARN
O=C1C=C2C(=N[C@]34CCCC[C@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21	ZINC000013583076	526960880	/nfs/dbraw/zinc/96/08/80/526960880.db2.gz	WCSNDIBBXOJAOR-LNFMTQTQSA-N	0	0	442.562	6.597	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@H](c3cccc(Cl)c3)C12	ZINC000020135534	526968076	/nfs/dbraw/zinc/96/80/76/526968076.db2.gz	XRIFHMCNQUKSLS-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3cccs3)C12	ZINC000009608556	526968815	/nfs/dbraw/zinc/96/88/15/526968815.db2.gz	IVRVANVSQNUEOW-GOSISDBHSA-N	0	0	428.970	5.307	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1	ZINC000001446024	526969199	/nfs/dbraw/zinc/96/91/99/526969199.db2.gz	NYAUVVODFAMQDT-SFHVURJKSA-N	0	0	447.585	5.358	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@@H](c3cccs3)C12	ZINC000009608560	526969912	/nfs/dbraw/zinc/96/99/12/526969912.db2.gz	IVRVANVSQNUEOW-SFHVURJKSA-N	0	0	428.970	5.307	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3cccc(F)c3)C12	ZINC000001283582	526969928	/nfs/dbraw/zinc/96/99/28/526969928.db2.gz	PLNBLLCZNYBXKP-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1nc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)sc1SCC#N	ZINC000048365017	526990969	/nfs/dbraw/zinc/99/09/69/526990969.db2.gz	XZOHZGAZPKYVEM-UHFFFAOYSA-N	0	0	448.577	5.312	50	30		IKEARN
Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@H]2CCCO2)c1C	ZINC000012520127	527023370	/nfs/dbraw/zinc/02/33/70/527023370.db2.gz	HFMWTEOTWVTYJJ-VOLNOZNDSA-N	0	0	439.625	5.040	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C\c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21	ZINC000096055667	527023656	/nfs/dbraw/zinc/02/36/56/527023656.db2.gz	ZAPGQGLSZPGISM-YPKPFQOOSA-N	0	0	439.902	5.631	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000710781	527023893	/nfs/dbraw/zinc/02/38/93/527023893.db2.gz	WUMXPTFQJQQTPD-WNSKOXEYSA-N	0	0	440.490	6.746	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1c[nH]c3ccccc31)Nc1ccccc1N2	ZINC000000861251	527031280	/nfs/dbraw/zinc/03/12/80/527031280.db2.gz	SSPBPHSKZQHDGD-CRYYWNKWSA-N	0	0	439.946	6.801	50	30		IKEARN
O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560031	527032039	/nfs/dbraw/zinc/03/20/39/527032039.db2.gz	ZUWADTXKBCRFAB-CZUORRHYSA-N	0	0	430.729	5.107	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2	ZINC000000709465	527032539	/nfs/dbraw/zinc/03/25/39/527032539.db2.gz	KFDGLDPNDVLWLR-CPJLOUKISA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12	ZINC000009601023	527032707	/nfs/dbraw/zinc/03/27/07/527032707.db2.gz	YDSDGVVXZWVWDR-IIMAJNMQSA-N	0	0	445.518	6.636	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2	ZINC000001080234	527032730	/nfs/dbraw/zinc/03/27/30/527032730.db2.gz	LPASXEOEVJVMQJ-XHCCPWGMSA-N	0	0	446.506	5.922	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000018195188	527033673	/nfs/dbraw/zinc/03/36/73/527033673.db2.gz	XMGNDLKGRYGTTB-SGANQWHYSA-N	0	0	440.524	5.834	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1	ZINC000009261300	527041955	/nfs/dbraw/zinc/04/19/55/527041955.db2.gz	DTGOSLVVQYMMSV-FYJGNVAPSA-N	0	0	438.911	5.950	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000009261304	527042149	/nfs/dbraw/zinc/04/21/49/527042149.db2.gz	ZRKMNFJXMHXVJI-FYJGNVAPSA-N	0	0	438.911	5.950	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(OC2CCCC2)c1	ZINC000035211372	527043838	/nfs/dbraw/zinc/04/38/38/527043838.db2.gz	YFKHYGLIMXDITI-XDHOZWIPSA-N	0	0	432.467	5.918	50	30		IKEARN
O=C1Nc2ccccc2C12C/C(=C\c1ccc(F)cc1)C(=O)/C(=C/c1ccc(F)cc1)C2	ZINC000040146066	527091086	/nfs/dbraw/zinc/09/10/86/527091086.db2.gz	LRJRMZRQLYDBFT-IWGRKNQJSA-N	0	0	427.450	5.685	50	30		IKEARN
O=C1[C@@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1	ZINC000015931762	527108855	/nfs/dbraw/zinc/10/88/55/527108855.db2.gz	XRBJQNHZTSZWOT-QFXIWQKKSA-N	0	0	429.423	5.510	50	30		IKEARN
O=C1c2ccc3c(c2O/C1=C/c1ccc(-c2ccccc2)cc1)CN(C1CCCCC1)CO3	ZINC000041660875	527124172	/nfs/dbraw/zinc/12/41/72/527124172.db2.gz	UYJCFJNWGIPQSF-WPWMEQJKSA-N	0	0	437.539	6.454	50	30		IKEARN
O=C1c2ccccc2C(=O)c2c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cccc21	ZINC000059727781	527131389	/nfs/dbraw/zinc/13/13/89/527131389.db2.gz	MOBZFNZUNCSCPG-UHFFFAOYSA-N	0	0	438.270	5.012	50	30		IKEARN
O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1cccc(C(F)(F)F)c1	ZINC000008837336	527132187	/nfs/dbraw/zinc/13/21/87/527132187.db2.gz	ABOLGBHLVHOMKP-DIBXZPPDSA-N	0	0	434.377	5.303	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2	ZINC000012961045	527132616	/nfs/dbraw/zinc/13/26/16/527132616.db2.gz	CCTSFIVBCFLRCI-JOCHJYFZSA-N	0	0	444.487	5.096	50	30		IKEARN
O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNc1ccc(Cl)cc1	ZINC000020575778	527138865	/nfs/dbraw/zinc/13/88/65/527138865.db2.gz	VGDVAEUDLMEFMW-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000033385550	527139809	/nfs/dbraw/zinc/13/98/09/527139809.db2.gz	ALOTVNMXXHAMKK-XFFZJAGNSA-N	0	0	427.887	6.488	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	ZINC000059727724	527177821	/nfs/dbraw/zinc/17/78/21/527177821.db2.gz	OKSJHBZCBRVCAE-UHFFFAOYSA-N	0	0	435.620	5.177	50	30		IKEARN
O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000059620663	527239902	/nfs/dbraw/zinc/23/99/02/527239902.db2.gz	QGRJNRBMBXWRCT-UHFFFAOYSA-N	0	0	432.242	6.267	50	30		IKEARN
O=S(=O)(c1ccc(/N=C/c2ccc(Br)s2)cc1)N1CCc2ccccc21	ZINC000012377452	527267726	/nfs/dbraw/zinc/26/77/26/527267726.db2.gz	MQTZRKUSQRKYDA-FYJGNVAPSA-N	0	0	447.379	5.013	50	30		IKEARN
O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F	ZINC000095696325	527332284	/nfs/dbraw/zinc/33/22/84/527332284.db2.gz	QGWITWSFJTYWMK-UHFFFAOYSA-N	0	0	442.241	5.038	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccc(OCc4ccccc4)cc3)n2)cc1	ZINC000031854473	527342859	/nfs/dbraw/zinc/34/28/59/527342859.db2.gz	CFNGKKCRNCPLCQ-OYKKKHCWSA-N	0	0	430.489	5.743	50	30		IKEARN
O=[N+]([O-])c1ccc(/N=C/c2ccc(/C=N/c3ccc([N+](=O)[O-])cc3Cl)cc2)c(Cl)c1	ZINC000025693517	527345390	/nfs/dbraw/zinc/34/53/90/527345390.db2.gz	PBVKJILOCKCHAT-ASIDMNOUSA-N	0	0	443.246	6.311	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1	ZINC000008762842	527353198	/nfs/dbraw/zinc/35/31/98/527353198.db2.gz	LRZMINYCHKGPFT-CBGPCMNSSA-N	0	0	443.503	5.829	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c1	ZINC000013108368	527354503	/nfs/dbraw/zinc/35/45/03/527354503.db2.gz	LNQWIURCBDNZKW-ZMOGYAJESA-N	0	0	432.823	6.167	50	30		IKEARN
O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccccc2F)c1C(F)(F)F	ZINC000040059528	527364251	/nfs/dbraw/zinc/36/42/51/527364251.db2.gz	KAGBTJREXDNDND-UHFFFAOYSA-N	0	0	433.283	5.181	50	30		IKEARN
Nc1c(-c2ccc(F)cc2)cnn1-c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F	ZINC000008781448	527423406	/nfs/dbraw/zinc/42/34/06/527423406.db2.gz	TZBCZPYYCWLMSF-UHFFFAOYSA-N	0	0	441.310	5.241	50	30		IKEARN
O=[S@](c1ccc(Cl)cc1)c1ccc(/C=N/OCc2ccc(Cl)cc2Cl)cn1	ZINC000012958191	527431751	/nfs/dbraw/zinc/43/17/51/527431751.db2.gz	SDWYPPGZQZCWFS-YNRVIZAUSA-N	0	0	439.751	5.759	50	30		IKEARN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1)C(F)(F)F	ZINC000004199803	527448883	/nfs/dbraw/zinc/44/88/83/527448883.db2.gz	WDXYBELJSVHFQV-ASSNKEHSSA-N	0	0	442.393	5.336	50	30		IKEARN
OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)NCCc2ccccc2)CC1	ZINC000013497283	527505810	/nfs/dbraw/zinc/50/58/10/527505810.db2.gz	BSFRKOHOTRBBTD-UHFFFAOYSA-N	0	0	430.617	5.163	50	30		IKEARN
O=C(NC1CCCCC1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2	ZINC000008451586	527516436	/nfs/dbraw/zinc/51/64/36/527516436.db2.gz	XHJRXSMLTWHYRJ-MXAYSNPKSA-N	0	0	435.420	6.747	50	30		IKEARN
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc3c(c1)OCCO3)C1=C(CCCC1=O)N2	ZINC000014361053	527535250	/nfs/dbraw/zinc/53/52/50/527535250.db2.gz	RNKKQICEWXXNSW-HSZRJFAPSA-N	0	0	447.922	5.170	50	30		IKEARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl	ZINC000002319638	527548027	/nfs/dbraw/zinc/54/80/27/527548027.db2.gz	XUEOISDLKKWHFS-LSHDLFTRSA-N	0	0	438.771	5.461	50	30		IKEARN
Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000012583716	527564460	/nfs/dbraw/zinc/56/44/60/527564460.db2.gz	RAPDFXNYVICRSI-OAQYLSRUSA-N	0	0	441.428	5.903	50	30		IKEARN
O/N=C(\c1ccccc1)[C@@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1	ZINC000071767273	527590263	/nfs/dbraw/zinc/59/02/63/527590263.db2.gz	SCLPXTHLYLDYNO-QMMFTLRZSA-N	0	0	431.535	7.139	50	30		IKEARN
O=C(/C=C/c1ccc(Cl)cc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000012957282	527608249	/nfs/dbraw/zinc/60/82/49/527608249.db2.gz	AAXBJIIEUWCKJE-XCVCLJGOSA-N	0	0	438.232	7.096	50	30		IKEARN
O=C(/C=C/c1ccc(OC(=O)c2ccccc2Cl)cc1)c1ccc(Br)cc1	ZINC000008809360	527616297	/nfs/dbraw/zinc/61/62/97/527616297.db2.gz	JEWPSEJNRQZJKS-VGOFMYFVSA-N	0	0	441.708	6.218	50	30		IKEARN
O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000015978847	527618082	/nfs/dbraw/zinc/61/80/82/527618082.db2.gz	MWWMRRUDDGMJNC-FNORWQNLSA-N	0	0	431.395	5.451	50	30		IKEARN
O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1	ZINC000012961449	527618508	/nfs/dbraw/zinc/61/85/08/527618508.db2.gz	QCNGOEYXOVVEBX-FRKPEAEDSA-N	0	0	448.927	6.157	50	30		IKEARN
O=C(/C=C/c1cccc(Cl)c1Cl)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000013129870	527624797	/nfs/dbraw/zinc/62/47/97/527624797.db2.gz	ATUJQIZTTRXGNN-JLHYYAGUSA-N	0	0	438.376	5.454	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1	ZINC000012558352	527646637	/nfs/dbraw/zinc/64/66/37/527646637.db2.gz	FKKHBJNVBVBWFN-DTQAZKPQSA-N	0	0	429.317	6.198	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000014361559	527646871	/nfs/dbraw/zinc/64/68/71/527646871.db2.gz	ACIAWZFLGKHZSD-PKNBQFBNSA-N	0	0	430.851	5.392	50	30		IKEARN
O=C(Cc1nc2ccc(Br)cc2[nH]c1=O)c1ccc(OCc2ccccc2)cc1	ZINC000077024243	527651630	/nfs/dbraw/zinc/65/16/30/527651630.db2.gz	ONJIMWJIBHGDJD-FYJGNVAPSA-N	0	0	449.304	5.159	50	30		IKEARN
O=C(C=C1NCCc2cc3c(cc21)OCCCO3)CCCOc1ccc(Cl)cc1Cl	ZINC000013591284	527652742	/nfs/dbraw/zinc/65/27/42/527652742.db2.gz	IARRSMQUTGESDU-MOSHPQCFSA-N	0	0	448.346	5.070	50	30		IKEARN
O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1	ZINC000035419028	527655983	/nfs/dbraw/zinc/65/59/83/527655983.db2.gz	KZNNSZCBXBIFRV-WAPJZHGLSA-N	0	0	429.404	5.034	50	30		IKEARN
O=C(/C=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1	ZINC000096126335	527656460	/nfs/dbraw/zinc/65/64/60/527656460.db2.gz	OCBAMWUIDNQYKH-YPKPFQOOSA-N	0	0	444.918	5.615	50	30		IKEARN
O=C(/C=C\c1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000035131161	527656619	/nfs/dbraw/zinc/65/66/19/527656619.db2.gz	UQROHMZONSZAES-JYRVWZFOSA-N	0	0	437.483	5.166	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000064624382	527661890	/nfs/dbraw/zinc/66/18/90/527661890.db2.gz	YVBBRRALBYAZBM-UHFFFAOYSA-N	0	0	438.052	5.923	50	30	in-vitro	IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2cccc(C)n2)CC1	ZINC000008744147	535078011	/nfs/dbraw/zinc/07/80/11/535078011.db2.gz	XNWNLMZAHUEURC-UHFFFAOYSA-N	0	0	438.579	5.040	50	30		IKEARN
COCc1cc(C)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c1C#N	ZINC000006177751	536704084	/nfs/dbraw/zinc/70/40/84/536704084.db2.gz	VLPVULZMXYSSSI-UHFFFAOYSA-N	0	0	433.558	5.330	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000000626981	555513089	/nfs/dbraw/zinc/51/30/89/555513089.db2.gz	QLGIRFMZNCMVCP-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2cccc(Cl)c2)o1	ZINC000000629447	555513990	/nfs/dbraw/zinc/51/39/90/555513990.db2.gz	LXXKLEOGXROZHW-UHFFFAOYSA-N	0	0	449.978	6.573	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1	ZINC000000630126	555514342	/nfs/dbraw/zinc/51/43/42/555514342.db2.gz	YWAXPUVZPSJNGK-MYUZEXMDSA-N	0	0	440.499	5.403	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000631016	555514837	/nfs/dbraw/zinc/51/48/37/555514837.db2.gz	VFLLVJXBOMJHSF-VWLOTQADSA-N	0	0	434.536	5.459	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccccc1F	ZINC000000649723	555522417	/nfs/dbraw/zinc/52/24/17/555522417.db2.gz	KGDSYAUFSTYSMI-AREMUKBSSA-N	0	0	440.518	6.283	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OC(C)C	ZINC000000650592	555522666	/nfs/dbraw/zinc/52/26/66/555522666.db2.gz	RDMVENMIXQUDIF-VWLOTQADSA-N	0	0	446.547	5.089	50	30		IKEARN
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)ccc1OC	ZINC000000657450	555525471	/nfs/dbraw/zinc/52/54/71/555525471.db2.gz	VYQIXMZMGFKXQF-UHFFFAOYSA-N	0	0	437.580	5.409	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc21	ZINC000000666956	555528935	/nfs/dbraw/zinc/52/89/35/555528935.db2.gz	XQSQMDZQANDGKB-IDISGSTGSA-N	0	0	437.539	5.765	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc2ccccc21	ZINC000000666963	555528955	/nfs/dbraw/zinc/52/89/55/555528955.db2.gz	XQSQMDZQANDGKB-ZBLYBZFDSA-N	0	0	437.539	5.765	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000666744	555528972	/nfs/dbraw/zinc/52/89/72/555528972.db2.gz	PPJAPMPUIWUORI-CJFMBICVSA-N	0	0	449.978	5.901	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)C)cc1	ZINC000000668288	555529626	/nfs/dbraw/zinc/52/96/26/555529626.db2.gz	SSFNBGIQQXYZPA-AREMUKBSSA-N	0	0	432.564	6.027	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl	ZINC000000668372	555529897	/nfs/dbraw/zinc/52/98/97/555529897.db2.gz	BWBNFUAXBGAFBL-QHCPKHFHSA-N	0	0	443.374	6.546	50	30		IKEARN
Cc1nn(-c2ccc(Br)cc2)c(Cl)c1C=C1C(=O)c2ccccc2C1=O	ZINC000000672767	555532206	/nfs/dbraw/zinc/53/22/06/555532206.db2.gz	MAGPRYDBSJYWJB-UHFFFAOYSA-N	0	0	427.685	5.059	50	30		IKEARN
CCOc1ccc(NS(=O)(=O)c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1	ZINC000000674102	555532748	/nfs/dbraw/zinc/53/27/48/555532748.db2.gz	HZWPWNBDPDQBLB-YZSQISJMSA-N	0	0	446.528	5.496	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674134	555532830	/nfs/dbraw/zinc/53/28/30/555532830.db2.gz	MDSSCXDGYAOCPG-GKVSMKOHSA-N	0	0	443.459	5.108	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000681876	555537724	/nfs/dbraw/zinc/53/77/24/555537724.db2.gz	UNQYSMUMZWEZGU-WXTAPIANSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(C)C)cc2)cc1	ZINC000000681884	555537727	/nfs/dbraw/zinc/53/77/27/555537727.db2.gz	FZOQITOWFUELIN-ZTOMLWHTSA-N	0	0	438.571	6.798	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)cc1	ZINC000000682682	555538207	/nfs/dbraw/zinc/53/82/07/555538207.db2.gz	ICDDYVJYXMNNCS-NRFANRHFSA-N	0	0	444.453	5.401	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000704876	555544321	/nfs/dbraw/zinc/54/43/21/555544321.db2.gz	QFKNQERRCUOCAT-UHFFFAOYSA-N	0	0	430.928	5.454	50	30		IKEARN
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000000708824	555545757	/nfs/dbraw/zinc/54/57/57/555545757.db2.gz	VEMXZDDCIZHGKV-ATIYNZHBSA-N	0	0	443.543	5.044	50	30	biogenic	IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccncc2)cc1OC	ZINC000000709637	555546477	/nfs/dbraw/zinc/54/64/77/555546477.db2.gz	YSPATPBMNCXEOI-WXTAPIANSA-N	0	0	427.504	5.078	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2	ZINC000000709469	555546543	/nfs/dbraw/zinc/54/65/43/555546543.db2.gz	HBJPZHCWYVMFSK-IVCQMTBJSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000709964	555546856	/nfs/dbraw/zinc/54/68/56/555546856.db2.gz	HJCKFKPMUDVFJX-BVZFJXPGSA-N	0	0	434.461	6.685	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC	ZINC000000709950	555546868	/nfs/dbraw/zinc/54/68/68/555546868.db2.gz	HILUGRDIMXMNKP-CPJLOUKISA-N	0	0	432.545	5.745	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000000709666	555546882	/nfs/dbraw/zinc/54/68/82/555546882.db2.gz	PNBMOJTYKBKKSI-WINIVTDRSA-N	0	0	426.516	5.770	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000709962	555546893	/nfs/dbraw/zinc/54/68/93/555546893.db2.gz	HJCKFKPMUDVFJX-AVRWGWEMSA-N	0	0	434.461	6.685	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000000710576	555547066	/nfs/dbraw/zinc/54/70/66/555547066.db2.gz	PQEHEKCBFSELGZ-VWLOTQADSA-N	0	0	445.559	5.085	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000000714604	555548174	/nfs/dbraw/zinc/54/81/74/555548174.db2.gz	SKKUHPMYBVGVIM-SANMLTNESA-N	0	0	444.575	5.244	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000000717195	555548809	/nfs/dbraw/zinc/54/88/09/555548809.db2.gz	FOXLSVCGCITMAQ-XOBRGWDASA-N	0	0	447.478	5.302	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(F)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000717023	555548836	/nfs/dbraw/zinc/54/88/36/555548836.db2.gz	WQWIPDQACZGAQA-DEOSSOPVSA-N	0	0	433.523	5.216	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1	ZINC000000718182	555549470	/nfs/dbraw/zinc/54/94/70/555549470.db2.gz	AEKKKQZGFKZCDI-QFIPXVFZSA-N	0	0	441.449	5.417	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O	ZINC000000720496	555549676	/nfs/dbraw/zinc/54/96/76/555549676.db2.gz	ALLHTRHSEXYSHK-QMTYFTJSSA-N	0	0	446.934	6.034	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)ccc1O	ZINC000000720497	555549689	/nfs/dbraw/zinc/54/96/89/555549689.db2.gz	ALLHTRHSEXYSHK-YHAMSUFESA-N	0	0	446.934	6.034	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1	ZINC000000720680	555549839	/nfs/dbraw/zinc/54/98/39/555549839.db2.gz	GTMALCFWCWTLHG-QLXKLKPCSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1	ZINC000000720679	555549845	/nfs/dbraw/zinc/54/98/45/555549845.db2.gz	GTMALCFWCWTLHG-WGDIFIGCSA-N	0	0	430.935	6.328	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000726682	555551560	/nfs/dbraw/zinc/55/15/60/555551560.db2.gz	ZTFTZLTWCFXRRA-RUZDIDTESA-N	0	0	429.560	5.596	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc(OC)c1O	ZINC000000729454	555552606	/nfs/dbraw/zinc/55/26/06/555552606.db2.gz	GNKHAOYTTTZSRO-JBEBIEQOSA-N	0	0	448.544	5.450	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000752192	555553619	/nfs/dbraw/zinc/55/36/19/555553619.db2.gz	ZCUGSWXAZIKTEJ-HSZRJFAPSA-N	0	0	435.951	5.687	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	ZINC000000758140	555554151	/nfs/dbraw/zinc/55/41/51/555554151.db2.gz	DKOWFPXWOGZNDE-NRFANRHFSA-N	0	0	442.342	5.705	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccsc2)cc1	ZINC000000781161	555555025	/nfs/dbraw/zinc/55/50/25/555555025.db2.gz	PVQUMWOXIGBNQT-JOCHJYFZSA-N	0	0	437.561	5.104	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781244	555555133	/nfs/dbraw/zinc/55/51/33/555555133.db2.gz	CTKAJFWUYWTFMS-XDHUDOTRSA-N	0	0	449.572	5.301	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781197	555555208	/nfs/dbraw/zinc/55/52/08/555555208.db2.gz	ITXHUVWRPATFIF-NYHFZMIOSA-N	0	0	425.525	5.200	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1	ZINC000000781600	555555235	/nfs/dbraw/zinc/55/52/35/555555235.db2.gz	CPBIHIHWHZSILW-UPCLLVRISA-N	0	0	437.561	5.070	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781189	555555284	/nfs/dbraw/zinc/55/52/84/555555284.db2.gz	VCCPBBWFNKCBSJ-AOMKIAJQSA-N	0	0	439.602	5.657	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781196	555555297	/nfs/dbraw/zinc/55/52/97/555555297.db2.gz	ITXHUVWRPATFIF-OYHNWAKOSA-N	0	0	425.525	5.200	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1	ZINC000000797809	555558686	/nfs/dbraw/zinc/55/86/86/555558686.db2.gz	GHXRYOQNKCPDCB-OAQYLSRUSA-N	0	0	431.875	5.341	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1	ZINC000000805509	555559895	/nfs/dbraw/zinc/55/98/95/555559895.db2.gz	BFLSOFSVIURLKS-WTYVLRPYSA-N	0	0	440.543	6.073	50	30		IKEARN
COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc(OC)c1OC	ZINC000000806599	555560043	/nfs/dbraw/zinc/56/00/43/555560043.db2.gz	PQFJEWKLYNXFGB-RUZDIDTESA-N	0	0	431.513	5.579	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000811227	555560658	/nfs/dbraw/zinc/56/06/58/555560658.db2.gz	ZYVPCBFLZWXWBQ-HFZDXXHNSA-N	0	0	444.575	5.066	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC	ZINC000000815785	555562095	/nfs/dbraw/zinc/56/20/95/555562095.db2.gz	NOXGFUIHZRXLNU-UZTOHYMASA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O	ZINC000000815820	555562125	/nfs/dbraw/zinc/56/21/25/555562125.db2.gz	ZUFFGJVOIPXCQQ-PPHZAIPVSA-N	0	0	426.516	5.689	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCO3	ZINC000000816100	555562526	/nfs/dbraw/zinc/56/25/26/555562526.db2.gz	ZFPBFTKDRPSHOB-FQEVSTJZSA-N	0	0	426.310	5.378	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000000826318	555565078	/nfs/dbraw/zinc/56/50/78/555565078.db2.gz	GDWRIOUHCKMNGU-QFIPXVFZSA-N	0	0	441.449	5.417	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1	ZINC000000826150	555565156	/nfs/dbraw/zinc/56/51/56/555565156.db2.gz	WSZYTWBVWQDSEK-UHFFFAOYSA-N	0	0	429.354	5.849	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000000833873	555566583	/nfs/dbraw/zinc/56/65/83/555566583.db2.gz	AKIZFOBIXPHFNG-SDHSZQHLSA-N	0	0	435.914	5.624	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000000853747	555570692	/nfs/dbraw/zinc/57/06/92/555570692.db2.gz	WYHRPDDRWYVJSZ-HFZDXXHNSA-N	0	0	445.559	5.399	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1Cl)c1ccccc1	ZINC000000856619	555571320	/nfs/dbraw/zinc/57/13/20/555571320.db2.gz	GXIDLLVAGNKJCN-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1	ZINC000000856553	555571430	/nfs/dbraw/zinc/57/14/30/555571430.db2.gz	LZWMCIHUFKFIJD-UZTOHYMASA-N	0	0	442.584	6.397	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000000861123	555572313	/nfs/dbraw/zinc/57/23/13/555572313.db2.gz	FLWSURSIFHMWID-QLXKLKPCSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000000861347	555572575	/nfs/dbraw/zinc/57/25/75/555572575.db2.gz	IXPGNTPEPUTNDM-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)cc2)cc1OC	ZINC000000883259	555578049	/nfs/dbraw/zinc/57/80/49/555578049.db2.gz	NOHJYOJEXDRYDO-CLYVBNDRSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(F)ccc2F)cc1	ZINC000000883123	555578131	/nfs/dbraw/zinc/57/81/31/555578131.db2.gz	DVDPCBUPISECOT-AKJBCIBTSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC	ZINC000000883396	555578383	/nfs/dbraw/zinc/57/83/83/555578383.db2.gz	RVKAPMSAJHNMDA-CPJLOUKISA-N	0	0	432.545	5.745	50	30		IKEARN
O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1	ZINC000009539528	555579824	/nfs/dbraw/zinc/57/98/24/555579824.db2.gz	KZNNSZCBXBIFRV-KRXBUXKQSA-N	0	0	429.404	5.034	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1	ZINC000000992441	555596883	/nfs/dbraw/zinc/59/68/83/555596883.db2.gz	KTPDPPXJUVXQGD-ZPKJPUMHSA-N	0	0	441.984	5.412	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	ZINC000001009965	555601676	/nfs/dbraw/zinc/60/16/76/555601676.db2.gz	CPLNGBNICXUHSF-OAQYLSRUSA-N	0	0	449.963	5.556	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccccc2C(F)(F)F)c1	ZINC000001010065	555601690	/nfs/dbraw/zinc/60/16/90/555601690.db2.gz	NBXXVQZRWGQZNE-OAQYLSRUSA-N	0	0	441.453	5.015	50	30		IKEARN
O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1	ZINC000001015773	555602555	/nfs/dbraw/zinc/60/25/55/555602555.db2.gz	ZSWLOYHPSHLOFC-HZYJKNPPSA-N	0	0	435.936	5.505	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCCC(C)C)c2)o1	ZINC000001019954	555603335	/nfs/dbraw/zinc/60/33/35/555603335.db2.gz	CBYNSGURWQTNBK-QHCPKHFHSA-N	0	0	449.503	5.384	50	30		IKEARN
O=C(ON(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl)c1cccs1	ZINC000001048875	555612086	/nfs/dbraw/zinc/61/20/86/555612086.db2.gz	JQNBWCOPRUPLAY-UHFFFAOYSA-N	0	0	428.287	6.107	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001049134	555612474	/nfs/dbraw/zinc/61/24/74/555612474.db2.gz	VVECEIQGOJKZDR-IBGZPJMESA-N	0	0	440.286	6.118	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccn2)cc1	ZINC000001066552	555618817	/nfs/dbraw/zinc/61/88/17/555618817.db2.gz	TYMIGKASUDASBX-UZTOHYMASA-N	0	0	425.532	5.848	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001070611	555620839	/nfs/dbraw/zinc/62/08/39/555620839.db2.gz	VPXIKURZVDVKSA-OPAMFIHVSA-N	0	0	441.980	5.715	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccsc2)cc1OC	ZINC000001097762	555628107	/nfs/dbraw/zinc/62/81/07/555628107.db2.gz	ONWRRUVUXMKAKW-NSYGIPOTSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107178	555629616	/nfs/dbraw/zinc/62/96/16/555629616.db2.gz	KVBFJHWUHYHGJR-NSYGIPOTSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107175	555629679	/nfs/dbraw/zinc/62/96/79/555629679.db2.gz	KVBFJHWUHYHGJR-SSOJOUAXSA-N	0	0	445.906	6.228	50	30		IKEARN
CN1C2=C(C(=O)CC(C)(C)C2)C(c2c(Cl)cccc2Cl)C2=C1CC(C)(C)CC2=O	ZINC000001113871	555633141	/nfs/dbraw/zinc/63/31/41/555633141.db2.gz	SXLIJVAAMDGNTR-UHFFFAOYSA-N	0	0	432.391	6.309	50	30		IKEARN
Cc1ccccc1C(=O)Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	ZINC000001114661	555633685	/nfs/dbraw/zinc/63/36/85/555633685.db2.gz	WBTLJBPZANYRTJ-UHFFFAOYSA-N	0	0	428.484	5.342	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001120535	555637264	/nfs/dbraw/zinc/63/72/64/555637264.db2.gz	COVPLLUFWZDQIK-JTHBVZDNSA-N	0	0	433.548	5.050	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000001130364	555643886	/nfs/dbraw/zinc/64/38/86/555643886.db2.gz	KUGQVAHDEZEQDF-WRONEBCDSA-N	0	0	448.591	7.024	50	30		IKEARN
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001147917	555654659	/nfs/dbraw/zinc/65/46/59/555654659.db2.gz	AWIYDOPOGWXPKE-CRICUBBOSA-N	0	0	429.451	5.713	50	30		IKEARN
Cc1ccc(COc2ccc(Cl)cc2C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1	ZINC000001156326	555658948	/nfs/dbraw/zinc/65/89/48/555658948.db2.gz	IGVCGPGSHVNFAF-UHFFFAOYSA-N	0	0	448.946	6.355	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000001157717	555659893	/nfs/dbraw/zinc/65/98/93/555659893.db2.gz	ZHAGFXIEEZOMEV-UHFFFAOYSA-N	0	0	449.846	5.298	50	30		IKEARN
O=C1C[C@@H](c2ccccc2Cl)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000001170838	555666474	/nfs/dbraw/zinc/66/64/74/555666474.db2.gz	BVOIPXPHYXLSCY-YHAMSUFESA-N	0	0	444.918	6.048	50	30		IKEARN
Cc1ccc(C2CC(=O)C(=CNc3ccc(Cl)cc3C(=O)c3ccccc3)C(=O)C2)cc1	ZINC000001178579	555670807	/nfs/dbraw/zinc/67/08/07/555670807.db2.gz	XVQRJJYWDAELSB-UHFFFAOYSA-N	0	0	443.930	5.891	50	30		IKEARN
COC(=O)c1c2c(sc1-n1c(C)cc(C=C3C(=O)c4ccccc4C3=O)c1C)CCCC2	ZINC000001181877	555672251	/nfs/dbraw/zinc/67/22/51/555672251.db2.gz	KKAUYDVPPZZSHH-UHFFFAOYSA-N	0	0	445.540	5.284	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1	ZINC000001184398	555673348	/nfs/dbraw/zinc/67/33/48/555673348.db2.gz	BQEAGWNBPANOMQ-ZHRRBRCNSA-N	0	0	439.602	5.395	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001198568	555677863	/nfs/dbraw/zinc/67/78/63/555677863.db2.gz	XPTURDIPIQPZTM-QHCPKHFHSA-N	0	0	433.508	5.394	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	ZINC000001199307	555677896	/nfs/dbraw/zinc/67/78/96/555677896.db2.gz	MMIJTDNGKZNQHE-WINIVTDRSA-N	0	0	442.946	6.261	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(Cl)c1	ZINC000001202693	555679056	/nfs/dbraw/zinc/67/90/56/555679056.db2.gz	LGJDTSPXJNLJLU-AOMKIAJQSA-N	0	0	442.342	5.528	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202710	555679392	/nfs/dbraw/zinc/67/93/92/555679392.db2.gz	BRXDEBWFHMZQRS-FQRUVTKNSA-N	0	0	445.534	5.673	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cc([N+](=O)[O-])ccc2Cl)C2=C(CCCC2=O)N1	ZINC000001213132	555682732	/nfs/dbraw/zinc/68/27/32/555682732.db2.gz	IPOXFBRCQVZDRD-NRFANRHFSA-N	0	0	444.915	5.092	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O	ZINC000001213742	555683037	/nfs/dbraw/zinc/68/30/37/555683037.db2.gz	LIPNXQLBCIZNOH-OZSVZHKOSA-N	0	0	445.544	5.250	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1	ZINC000001213262	555683118	/nfs/dbraw/zinc/68/31/18/555683118.db2.gz	TZIRPBWBLGPZKR-OAQYLSRUSA-N	0	0	444.915	5.092	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC	ZINC000001217619	555684490	/nfs/dbraw/zinc/68/44/90/555684490.db2.gz	VGEDZCPHLUUQHL-NGOKVRLYSA-N	0	0	440.543	5.992	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccccc1	ZINC000001219403	555685428	/nfs/dbraw/zinc/68/54/28/555685428.db2.gz	FMXRLXNNXMDUPU-DEOSSOPVSA-N	0	0	437.495	5.007	50	30		IKEARN
Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2	ZINC000001414053	555694903	/nfs/dbraw/zinc/69/49/03/555694903.db2.gz	HALUOMUJKGFJCG-QHCPKHFHSA-N	0	0	432.955	6.056	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@H](c2cccc(Br)c2)C1C(=O)c1ccccc1	ZINC000001431391	555696406	/nfs/dbraw/zinc/69/64/06/555696406.db2.gz	AKLNFTWAEIPCCY-JOCHJYFZSA-N	0	0	444.332	5.971	50	30		IKEARN
COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001434757	555696858	/nfs/dbraw/zinc/69/68/58/555696858.db2.gz	XEOFLJWHOWJEGJ-ZBLYBZFDSA-N	0	0	438.527	5.761	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000001434744	555696882	/nfs/dbraw/zinc/69/68/82/555696882.db2.gz	CAMUSSBJXLSYGW-QYBDOPJKSA-N	0	0	441.487	5.583	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000001437503	555697196	/nfs/dbraw/zinc/69/71/96/555697196.db2.gz	FZWFXQJDLNGVJB-NFQMXDRXSA-N	0	0	439.515	6.191	50	30		IKEARN
Cc1ccc(S[C@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1	ZINC000001446275	555699089	/nfs/dbraw/zinc/69/90/89/555699089.db2.gz	OEYYIIQKGKVDPR-NOZRDPDXSA-N	0	0	441.512	5.694	50	30		IKEARN
CN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O	ZINC000001461725	555700830	/nfs/dbraw/zinc/70/08/30/555700830.db2.gz	KWPCGCZAHIPHBJ-UHFFFAOYSA-N	0	0	431.507	5.448	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001467860	555701173	/nfs/dbraw/zinc/70/11/73/555701173.db2.gz	KGWJKHNQEUXZHS-WXTAPIANSA-N	0	0	441.487	5.583	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C3/c4ccccc4NC3=O)C(=O)N2c2cccc(C)c2)c1	ZINC000001750607	555712449	/nfs/dbraw/zinc/71/24/49/555712449.db2.gz	SQTBLSXUCCSCNY-LWTODMHQSA-N	0	0	425.513	5.434	50	30		IKEARN
CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1	ZINC000002027953	555727857	/nfs/dbraw/zinc/72/78/57/555727857.db2.gz	LNBPNFPHPLKJNI-UHFFFAOYSA-N	0	0	444.325	5.377	50	30		IKEARN
O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(-c2ccccc2)cc1	ZINC000002054459	555729815	/nfs/dbraw/zinc/72/98/15/555729815.db2.gz	XQKHDZPJIHPNDM-ITYLOYPMSA-N	0	0	434.516	6.902	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCC)c(OC)c1	ZINC000002055087	555730034	/nfs/dbraw/zinc/73/00/34/555730034.db2.gz	DXDXNFACWIRAOJ-QHCPKHFHSA-N	0	0	441.568	5.041	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1ccccc1O[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000002057056	555731063	/nfs/dbraw/zinc/73/10/63/555731063.db2.gz	UDSFBCNQXCPMGT-XMMPIXPASA-N	0	0	446.547	6.407	50	30		IKEARN
N#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002060620	555731742	/nfs/dbraw/zinc/73/17/42/555731742.db2.gz	BLNQBDIUJVBYSK-UHFFFAOYSA-N	0	0	427.573	5.137	50	30	biogenic	IKEARN
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O	ZINC000002062869	555732460	/nfs/dbraw/zinc/73/24/60/555732460.db2.gz	KNZQDTUEZJGQOH-UHFFFAOYSA-N	0	0	434.319	5.921	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)c(Cl)c1)C2=O	ZINC000002062836	555732472	/nfs/dbraw/zinc/73/24/72/555732472.db2.gz	OZTWMMZAKPMWIH-UHFFFAOYSA-N	0	0	427.928	5.966	50	30		IKEARN
CCCCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000002063479	555732714	/nfs/dbraw/zinc/73/27/14/555732714.db2.gz	DIROGGFVUDXQJR-MUUNZHRXSA-N	0	0	425.572	7.328	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000002063030	555732818	/nfs/dbraw/zinc/73/28/18/555732818.db2.gz	OPKVJJOYHAOZBQ-PMERELPUSA-N	0	0	445.562	7.942	50	30		IKEARN
Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c5ccccc5cc5ccccc54)c3)oc2c1	ZINC000002071782	555735108	/nfs/dbraw/zinc/73/51/08/555735108.db2.gz	PDTYYXNUJLDUBR-FDAWAROLSA-N	0	0	426.519	8.169	50	30		IKEARN
CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000002073699	555735351	/nfs/dbraw/zinc/73/53/51/555735351.db2.gz	DMVNZPBABRIATL-HXNPFYCNSA-N	0	0	428.557	6.511	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000002082208	555738656	/nfs/dbraw/zinc/73/86/56/555738656.db2.gz	ZPCSONYMHSEOKG-LMTJQJACSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000002084316	555739463	/nfs/dbraw/zinc/73/94/63/555739463.db2.gz	JZTGGLKGODRTLO-SIFZUIMESA-N	0	0	442.584	6.737	50	30		IKEARN
COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O	ZINC000002087114	555740302	/nfs/dbraw/zinc/74/03/02/555740302.db2.gz	MTZVPOYKYSIUND-KHHYFDFNSA-N	0	0	448.975	6.774	50	30		IKEARN
Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000002096584	555742339	/nfs/dbraw/zinc/74/23/39/555742339.db2.gz	DZUAXGVASOYPKK-STBIYBPSSA-N	0	0	438.914	7.195	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@@H]5[C@@H]4CC[C@H]3C2)cc1	ZINC000002101312	555742651	/nfs/dbraw/zinc/74/26/51/555742651.db2.gz	HNTMKSKJRZRWKS-MXCAZFEMSA-N	0	0	444.637	5.681	50	30	biogenic	IKEARN
Cc1ccc(-c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)o2)cc1C	ZINC000002137992	555747603	/nfs/dbraw/zinc/74/76/03/555747603.db2.gz	VPQBICXEWXSGIE-SSEXGKCCSA-N	0	0	447.578	8.026	50	30		IKEARN
C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2c(F)cccc2F)C12CCCCC2	ZINC000002151936	555749607	/nfs/dbraw/zinc/74/96/07/555749607.db2.gz	GGLMRZGTOULZJG-QLYXXIJNSA-N	0	0	432.923	6.712	50	30		IKEARN
CN(C)C=CC(=O)c1sc(SCc2ccc(Cl)cc2)c2c1CC(C)(C)CC2=O	ZINC000002157647	555750647	/nfs/dbraw/zinc/75/06/47/555750647.db2.gz	GRCOSDBMHHDVQA-MDZDMXLPSA-N	0	0	434.026	6.107	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(OCC)cc3)N(CC)C2=O)cc1Cl	ZINC000002166692	555751452	/nfs/dbraw/zinc/75/14/52/555751452.db2.gz	MCCPLJFOMYLEGK-VLYZUMCXSA-N	0	0	442.968	5.927	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000002173443	555752468	/nfs/dbraw/zinc/75/24/68/555752468.db2.gz	AJVBCOIYFUEUHF-JMIUGGIZSA-N	0	0	443.906	5.917	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCC3	ZINC000002183155	555754278	/nfs/dbraw/zinc/75/42/78/555754278.db2.gz	HCMBQUARCSDHKN-UHFFFAOYSA-N	0	0	428.623	6.007	50	30		IKEARN
Cc1ccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1	ZINC000002186896	555755578	/nfs/dbraw/zinc/75/55/78/555755578.db2.gz	BGNKGJNGCGBOOX-NJZRLIGZSA-N	0	0	443.550	7.177	50	30		IKEARN
CSC1=N/C(=N\c2cccc(C)c2)C2(CCCCC2)N1c1ccc(Br)cc1	ZINC000002187659	555755628	/nfs/dbraw/zinc/75/56/28/555755628.db2.gz	QMMYSSIOPBBGDF-GFMRDNFCSA-N	0	0	442.426	6.730	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000002190005	555756299	/nfs/dbraw/zinc/75/62/99/555756299.db2.gz	YICPRIVRYRCVKF-VWLOTQADSA-N	0	0	447.962	6.907	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1	ZINC000002258877	555763165	/nfs/dbraw/zinc/76/31/65/555763165.db2.gz	BXNVVDLMFDVBIR-UHFFFAOYSA-N	0	0	425.572	6.577	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3	ZINC000002277546	555764672	/nfs/dbraw/zinc/76/46/72/555764672.db2.gz	OCNHDYVYSOLRKG-UHFFFAOYSA-N	0	0	426.651	6.252	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)O/N=C1/c2ccccc2-c2ccccc2C1=O	ZINC000002335801	555769944	/nfs/dbraw/zinc/76/99/44/555769944.db2.gz	JVRBOXDBWSYVGC-BXVZCJGGSA-N	0	0	428.447	5.650	50	30		IKEARN
COc1ccc2ccccc2c1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl	ZINC000002349938	555771056	/nfs/dbraw/zinc/77/10/56/555771056.db2.gz	VDWBMMHVRBZXQO-FOKLQQMPSA-N	0	0	429.332	5.585	50	30		IKEARN
CCCc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12	ZINC000002354878	555771390	/nfs/dbraw/zinc/77/13/90/555771390.db2.gz	DZBNXKGNQKJXTO-LJAQVGFWSA-N	0	0	433.576	7.659	50	30		IKEARN
CCCc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c2ccccc12	ZINC000002354879	555771412	/nfs/dbraw/zinc/77/14/12/555771412.db2.gz	DZBNXKGNQKJXTO-GDLZYMKVSA-N	0	0	433.576	7.659	50	30		IKEARN
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H]2CO2)c2ccccc12	ZINC000002442673	555779721	/nfs/dbraw/zinc/77/97/21/555779721.db2.gz	FBNOVRADKNFNTI-XMMPIXPASA-N	0	0	439.555	6.426	50	30		IKEARN
Cc1ccc(C)c(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CC(C)(C)C2)c1	ZINC000002546754	555786939	/nfs/dbraw/zinc/78/69/39/555786939.db2.gz	WUGZQOCDROIDGB-UHFFFAOYSA-N	0	0	425.506	5.761	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F	ZINC000002727244	555803174	/nfs/dbraw/zinc/80/31/74/555803174.db2.gz	MYDTUXQZYKGFBP-SSOJOUAXSA-N	0	0	449.522	5.149	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccccc1F	ZINC000002727246	555803178	/nfs/dbraw/zinc/80/31/78/555803178.db2.gz	MYDTUXQZYKGFBP-CRICUBBOSA-N	0	0	449.522	5.149	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000002734159	555805739	/nfs/dbraw/zinc/80/57/39/555805739.db2.gz	VPPYNVKVOBODLN-HXNPFYCNSA-N	0	0	427.573	6.178	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1	ZINC000002762197	555813163	/nfs/dbraw/zinc/81/31/63/555813163.db2.gz	SXMZLGGLKKFOMY-AOMKIAJQSA-N	0	0	425.525	5.202	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1	ZINC000002762200	555813167	/nfs/dbraw/zinc/81/31/67/555813167.db2.gz	SXMZLGGLKKFOMY-OPAMFIHVSA-N	0	0	425.525	5.202	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	ZINC000002775342	555817490	/nfs/dbraw/zinc/81/74/90/555817490.db2.gz	ZFAYHMDKIHHFJC-UUOWRZLLSA-N	0	0	435.951	5.655	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc2ccccc21	ZINC000002775336	555817511	/nfs/dbraw/zinc/81/75/11/555817511.db2.gz	HTRMGPQTKYBQEC-DEOSSOPVSA-N	0	0	449.616	5.740	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(SC)cc1	ZINC000002775523	555817805	/nfs/dbraw/zinc/81/78/05/555817805.db2.gz	YZWSCBAAIOOYLZ-OAQYLSRUSA-N	0	0	445.650	5.309	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1	ZINC000002776231	555818111	/nfs/dbraw/zinc/81/81/11/555818111.db2.gz	BJAQRJZBQYOTIL-UQBPGWFLSA-N	0	0	449.522	5.149	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccc(F)c1	ZINC000002776233	555818124	/nfs/dbraw/zinc/81/81/24/555818124.db2.gz	BJAQRJZBQYOTIL-KBMIEXCESA-N	0	0	449.522	5.149	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002796111	555822168	/nfs/dbraw/zinc/82/21/68/555822168.db2.gz	ZMINNEZOMLJMAP-JOCHJYFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc2c(cc1Cl)OCO2	ZINC000002801387	555824418	/nfs/dbraw/zinc/82/44/18/555824418.db2.gz	JTOFCINAFOCETG-NRFANRHFSA-N	0	0	445.943	5.016	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)c1	ZINC000002825014	555830632	/nfs/dbraw/zinc/83/06/32/555830632.db2.gz	OLVQEPYPKVCBKT-JXKYSLRESA-N	0	0	444.556	6.129	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)cc1	ZINC000002828765	555831727	/nfs/dbraw/zinc/83/17/27/555831727.db2.gz	TUXAWWFWXXNLRB-MOSHPQCFSA-N	0	0	440.952	6.522	50	30		IKEARN
COc1cc(Cl)cc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)c1OC	ZINC000002834586	555832347	/nfs/dbraw/zinc/83/23/47/555832347.db2.gz	QONSFMBEJYADFS-NVNXTCNLSA-N	0	0	440.373	5.914	50	30		IKEARN
N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1	ZINC000002835341	555832590	/nfs/dbraw/zinc/83/25/90/555832590.db2.gz	GOBAGKHUPWIVNQ-NDEPHWFRSA-N	0	0	432.523	6.106	50	30		IKEARN
N#C[C@H](c1ccc(OCc2ccccc2)cc1)N(C(=O)Cc1ccccc1)c1ccccc1	ZINC000002835342	555832648	/nfs/dbraw/zinc/83/26/48/555832648.db2.gz	GOBAGKHUPWIVNQ-MUUNZHRXSA-N	0	0	432.523	6.106	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000002844515	555836970	/nfs/dbraw/zinc/83/69/70/555836970.db2.gz	HSRHEDXSOZKCBK-BTYIYWSLSA-N	0	0	445.437	5.223	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1	ZINC000002865471	555846679	/nfs/dbraw/zinc/84/66/79/555846679.db2.gz	WTTUQZJIHKVTAA-HXUWFJFHSA-N	0	0	443.761	6.792	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Cc1ccc(Cl)cc1	ZINC000002865470	555846719	/nfs/dbraw/zinc/84/67/19/555846719.db2.gz	WTTUQZJIHKVTAA-FQEVSTJZSA-N	0	0	443.761	6.792	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2	ZINC000002865442	555846734	/nfs/dbraw/zinc/84/67/34/555846734.db2.gz	XCQYTDYOONTSMC-GOSISDBHSA-N	0	0	439.298	5.938	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)CSc1ccccc1	ZINC000002865493	555847121	/nfs/dbraw/zinc/84/71/21/555847121.db2.gz	ICBFSKRAGIXFHD-FQEVSTJZSA-N	0	0	441.383	6.688	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002868526	555848731	/nfs/dbraw/zinc/84/87/31/555848731.db2.gz	AHKWGLVSLPVSDA-RUZDIDTESA-N	0	0	437.580	5.708	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=N/c2cccc3c(/N=C/c4ccc([N+](=O)[O-])s4)cccc23)s1	ZINC000002895080	555860262	/nfs/dbraw/zinc/86/02/62/555860262.db2.gz	CCBCZSOMLDATOT-XHQRYOPUSA-N	0	0	436.474	6.280	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccccc2OC)C1=O	ZINC000002898886	555860635	/nfs/dbraw/zinc/86/06/35/555860635.db2.gz	RAYLBJICONGNLU-RCCKNPSSSA-N	0	0	431.513	5.392	50	30		IKEARN
COc1ccc(/C=N/OC(=O)COc2ccc(Cl)cc2)cc1COc1ccc(F)cc1	ZINC000002902216	555860993	/nfs/dbraw/zinc/86/09/93/555860993.db2.gz	NUDYPZHFKSSXCQ-LGJNPRDNSA-N	0	0	443.858	5.023	50	30		IKEARN
O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1cccc([N+](=O)[O-])c1	ZINC000002989665	555874837	/nfs/dbraw/zinc/87/48/37/555874837.db2.gz	YRDNJZZGNQODJR-UHFFFAOYSA-N	0	0	440.271	5.145	50	30		IKEARN
COc1cccc(/C=N/c2ccc(-c3ccc(/N=C/c4cccc(OC)c4)c(C)c3)cc2C)c1	ZINC000003087953	555885173	/nfs/dbraw/zinc/88/51/73/555885173.db2.gz	SZEIUSDFULKYCP-GKTLAHRSSA-N	0	0	448.566	7.489	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000003098421	555886383	/nfs/dbraw/zinc/88/63/83/555886383.db2.gz	VBHXRBFTMHYHBI-OAQYLSRUSA-N	0	0	448.390	6.083	50	30		IKEARN
N#CCSc1nnc(-c2ncc(C(F)(F)F)cc2Cl)n1-c1ccc(Cl)cc1	ZINC000003126392	555889691	/nfs/dbraw/zinc/88/96/91/555889691.db2.gz	GDFCGPZPQAYLTK-UHFFFAOYSA-N	0	0	430.242	5.271	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1cccc(C(F)(F)F)c1	ZINC000003129511	555889888	/nfs/dbraw/zinc/88/98/88/555889888.db2.gz	UEZOUNPGTOXXDK-UHFFFAOYSA-N	0	0	431.254	5.918	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1c(F)cccc1Cl	ZINC000003135290	555890900	/nfs/dbraw/zinc/89/09/00/555890900.db2.gz	UOXQCOOMSBDYAD-LIMNOBDPSA-N	0	0	442.661	6.332	50	30		IKEARN
Cc1cccc(C(=O)Oc2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)cc2)c1	ZINC000003139436	555891483	/nfs/dbraw/zinc/89/14/83/555891483.db2.gz	NCAJCPAGPUCZPF-KGENOOAVSA-N	0	0	448.931	5.759	50	30		IKEARN
COc1ccc(N2C(=S)N=C(Nc3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1	ZINC000003146509	555891982	/nfs/dbraw/zinc/89/19/82/555891982.db2.gz	CCOVAHATCKNBJA-UHFFFAOYSA-N	0	0	435.637	6.403	50	30		IKEARN
O[C@@](Cc1ccccc1)(c1ccccc1)c1ccccc1/N=C/c1ccc(Cl)c(Cl)c1	ZINC000003161672	555892998	/nfs/dbraw/zinc/89/29/98/555892998.db2.gz	TZQAMRXGNMSWBK-UVKUDMKVSA-N	0	0	446.377	7.223	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O	ZINC000003196630	555897193	/nfs/dbraw/zinc/89/71/93/555897193.db2.gz	RSCCRIZXMUOONM-UHFFFAOYSA-N	0	0	435.564	6.402	50	30		IKEARN
COc1c(O)ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-]	ZINC000003206539	555898373	/nfs/dbraw/zinc/89/83/73/555898373.db2.gz	UQLVLFWQFRDLSF-QHCPKHFHSA-N	0	0	444.487	5.772	50	30		IKEARN
COc1c(O)ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c1[N+](=O)[O-]	ZINC000003206537	555898380	/nfs/dbraw/zinc/89/83/80/555898380.db2.gz	UQLVLFWQFRDLSF-HSZRJFAPSA-N	0	0	444.487	5.772	50	30		IKEARN
COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000034799365	555918708	/nfs/dbraw/zinc/91/87/08/555918708.db2.gz	QMPAZLQZGXTCEK-NFDUIPGLSA-N	0	0	425.484	5.186	50	30		IKEARN
CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2	ZINC000003655233	555944236	/nfs/dbraw/zinc/94/42/36/555944236.db2.gz	SCFHWZBBYMSUMU-QHCPKHFHSA-N	0	0	449.624	6.170	50	30		IKEARN
Cc1ccc(Cl)cc1NC1=NC(=S)N(Cc2c(F)cccc2F)C12CCCCC2	ZINC000003663838	555944785	/nfs/dbraw/zinc/94/47/85/555944785.db2.gz	MTZGNBQCSRYBTK-UHFFFAOYSA-N	0	0	433.955	6.050	50	30		IKEARN
Oc1ccc(Cl)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1	ZINC000003663605	555944843	/nfs/dbraw/zinc/94/48/43/555944843.db2.gz	VKCSIAQWASAEHJ-KBKYJPHKSA-N	0	0	426.221	7.261	50	30		IKEARN
COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000003665976	555945249	/nfs/dbraw/zinc/94/52/49/555945249.db2.gz	GXMBUPUSJQJUTO-OQNHBUHUSA-N	0	0	430.529	5.508	50	30		IKEARN
Clc1ccc(CO/N=C(/Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000003873296	555949953	/nfs/dbraw/zinc/94/99/53/555949953.db2.gz	QRJJEGAJXVEBNE-MOHJPFBDSA-N	0	0	429.134	6.118	50	30	fda	IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000004043999	555955105	/nfs/dbraw/zinc/95/51/05/555955105.db2.gz	LPRZIIKGLMNTQR-RLWLMLJZSA-N	0	0	444.575	5.067	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000004048128	555955511	/nfs/dbraw/zinc/95/55/11/555955511.db2.gz	AHURIOZKCVUFMA-XRHLQHRESA-N	0	0	444.962	6.718	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)nc1	ZINC000004048029	555955582	/nfs/dbraw/zinc/95/55/82/555955582.db2.gz	YUFUCZMOZACMNA-PGGKNCGUSA-N	0	0	435.242	5.461	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)c(OC)c1	ZINC000004060722	555956519	/nfs/dbraw/zinc/95/65/19/555956519.db2.gz	SZUBJTPRYPQCBJ-HSZRJFAPSA-N	0	0	441.568	5.041	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004060369	555956538	/nfs/dbraw/zinc/95/65/38/555956538.db2.gz	KXTDPSFRKVEGGC-FNZWTVRRSA-N	0	0	445.559	5.400	50	30		IKEARN
CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000004060580	555956598	/nfs/dbraw/zinc/95/65/98/555956598.db2.gz	WVSUBUTVJZRGPG-QHCPKHFHSA-N	0	0	441.568	5.040	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)c(OC)c1	ZINC000004060721	555956608	/nfs/dbraw/zinc/95/66/08/555956608.db2.gz	SZUBJTPRYPQCBJ-QHCPKHFHSA-N	0	0	441.568	5.041	50	30		IKEARN
CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004061510	555956771	/nfs/dbraw/zinc/95/67/71/555956771.db2.gz	PNOZYXWTWMGNKG-XMMPIXPASA-N	0	0	437.580	5.565	50	30		IKEARN
CCn1c2ccccc2c2cc([C@@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21	ZINC000004062292	555957187	/nfs/dbraw/zinc/95/71/87/555957187.db2.gz	YINWYWNTGNNZFR-NDEPHWFRSA-N	0	0	435.571	7.036	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004065173	555957392	/nfs/dbraw/zinc/95/73/92/555957392.db2.gz	DYIZXSBIONMLTR-WXTAPIANSA-N	0	0	447.003	7.041	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004065495	555957403	/nfs/dbraw/zinc/95/74/03/555957403.db2.gz	FEAIPHNAYUBJNB-PBBNMVCDSA-N	0	0	438.571	6.845	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1	ZINC000004065020	555957436	/nfs/dbraw/zinc/95/74/36/555957436.db2.gz	PUBGMKLSHJCVGM-MYUZEXMDSA-N	0	0	442.515	5.389	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004065177	555957440	/nfs/dbraw/zinc/95/74/40/555957440.db2.gz	DYIZXSBIONMLTR-DWXRJYCRSA-N	0	0	447.003	7.041	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(O)c(OC)c2)cc1	ZINC000004065014	555957443	/nfs/dbraw/zinc/95/74/43/555957443.db2.gz	PUBGMKLSHJCVGM-CLYVBNDRSA-N	0	0	442.515	5.389	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2	ZINC000004065631	555957447	/nfs/dbraw/zinc/95/74/47/555957447.db2.gz	LNVYGCRQHNZVOG-GKVSMKOHSA-N	0	0	435.354	6.973	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)c(OC)c2)cc1	ZINC000004065026	555957455	/nfs/dbraw/zinc/95/74/55/555957455.db2.gz	PUBGMKLSHJCVGM-DNOBIOAJSA-N	0	0	442.515	5.389	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2	ZINC000004065505	555957483	/nfs/dbraw/zinc/95/74/83/555957483.db2.gz	WPJSWEYGXJTELH-CPJLOUKISA-N	0	0	435.354	6.973	50	30		IKEARN
Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	ZINC000004075229	555958396	/nfs/dbraw/zinc/95/83/96/555958396.db2.gz	OMRFIMYKQSDBHP-LJQANCHMSA-N	0	0	442.346	5.303	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1	ZINC000004075112	555958398	/nfs/dbraw/zinc/95/83/98/555958398.db2.gz	CFAAYVLWXFPNFY-MYUZEXMDSA-N	0	0	440.499	5.403	50	30		IKEARN
Cc1ccc2occ([C@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1	ZINC000004081885	555958934	/nfs/dbraw/zinc/95/89/34/555958934.db2.gz	LXUSMDMQPSEYKW-RUZDIDTESA-N	0	0	428.532	5.940	50	30	biogenic	IKEARN
CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C(\Cl)C(F)(F)F	ZINC000004098969	555962226	/nfs/dbraw/zinc/96/22/26/555962226.db2.gz	ZXQYGBMAQZUVMI-XYRWEVSHSA-N	0	0	449.856	6.544	50	30	in-man	IKEARN
CN(C)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1	ZINC000004199815	555976056	/nfs/dbraw/zinc/97/60/56/555976056.db2.gz	LJFKTOGWRXCVAM-VWLOTQADSA-N	0	0	429.564	5.306	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004285260	555982888	/nfs/dbraw/zinc/98/28/88/555982888.db2.gz	HCTLUVVPAJEIAS-QHCPKHFHSA-N	0	0	425.569	5.421	50	30		IKEARN
CC1(C)CC(=O)C(C(c2cccc(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000004391233	555992417	/nfs/dbraw/zinc/99/24/17/555992417.db2.gz	KOSHQQPAOMKJDC-UHFFFAOYSA-N	0	0	447.369	5.935	50	30		IKEARN
O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])CCCC/C1=C\C=C\c1ccccc1[N+](=O)[O-]	ZINC000004531649	555999887	/nfs/dbraw/zinc/99/98/87/555999887.db2.gz	UVZRGIGWZSLUIN-AWKIKHLOSA-N	0	0	430.460	6.226	50	30		IKEARN
O=C1/C(=C/c2c(Cl)cccc2Cl)CCCC/C1=C\c1c(Cl)cccc1Cl	ZINC000004547133	556000436	/nfs/dbraw/zinc/00/04/36/556000436.db2.gz	ISQLYRSSYXTJMW-PHEQNACWSA-N	0	0	426.170	7.910	50	30		IKEARN
COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccc(Cl)cc2)cc1	ZINC000004546663	556000443	/nfs/dbraw/zinc/00/04/43/556000443.db2.gz	BDJDWCPJUGITMR-RRPNLBNLSA-N	0	0	439.942	7.166	50	30		IKEARN
CC1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1	ZINC000004547107	556000476	/nfs/dbraw/zinc/00/04/76/556000476.db2.gz	KMSIGDDMAIEECU-ODPUSEOTSA-N	0	0	446.182	6.678	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OCc1ccccc1	ZINC000004571385	556002088	/nfs/dbraw/zinc/00/20/88/556002088.db2.gz	UQVYYRJZJGTXQW-ZRDIBKRKSA-N	0	0	434.488	5.196	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1	ZINC000004576313	556002256	/nfs/dbraw/zinc/00/22/56/556002256.db2.gz	YEWBUPCTTJGMFX-QMHKHESXSA-N	0	0	425.550	5.210	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1	ZINC000004576315	556002282	/nfs/dbraw/zinc/00/22/82/556002282.db2.gz	YEWBUPCTTJGMFX-WAIKUNEKSA-N	0	0	425.550	5.210	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NC(Cc2ccccc2)C23CC4CC(CC(C4)C2)C3)c([N+](=O)[O-])c1	ZINC000004577135	556002293	/nfs/dbraw/zinc/00/22/93/556002293.db2.gz	PCAKPWYJEOQLPI-WNAAXNPUSA-N	0	0	434.496	5.730	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@@H]2c1ccc(Br)cc1)OCCO3	ZINC000004794490	556012159	/nfs/dbraw/zinc/01/21/59/556012159.db2.gz	YHSOMHJNKIFCNX-NRFANRHFSA-N	0	0	440.337	5.421	50	30		IKEARN
O=c1[nH]c2cc(Cl)ccc2nc1C(N=Nc1ccccc1)[C@@H](O)c1ccc(Cl)cc1	ZINC000005400651	556051098	/nfs/dbraw/zinc/05/10/98/556051098.db2.gz	OWDXJEXIUNKQIO-UEKFQANFSA-N	0	0	439.302	5.192	50	30		IKEARN
COC(=O)c1ccc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	ZINC000002188584	556054860	/nfs/dbraw/zinc/05/48/60/556054860.db2.gz	CMLPCGAZLNCEMU-MYXOLNAJSA-N	0	0	442.540	5.899	50	30		IKEARN
COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000006077228	556074938	/nfs/dbraw/zinc/07/49/38/556074938.db2.gz	APMJSVUKEGGGQT-DEOSSOPVSA-N	0	0	443.543	6.066	50	30		IKEARN
CN(C)c1ccc(/C=C/C(=O)c2ccc3c4c2cccc4C(=O)N(c2ccccc2)C3=O)cc1	ZINC000006135772	556077098	/nfs/dbraw/zinc/07/70/98/556077098.db2.gz	XGEPQUCZSUSWEA-QGOAFFKASA-N	0	0	446.506	5.603	50	30		IKEARN
C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1	ZINC000006142421	556077451	/nfs/dbraw/zinc/07/74/51/556077451.db2.gz	QEDZPCJTDQBXSY-MCIWXRNGSA-N	0	0	449.473	5.297	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1	ZINC000006156982	556078576	/nfs/dbraw/zinc/07/85/76/556078576.db2.gz	IADRAYWMJXEQEO-GYCJOSAFSA-N	0	0	427.529	5.522	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(CC)s1	ZINC000006197663	556080319	/nfs/dbraw/zinc/08/03/19/556080319.db2.gz	VEHPKAAVCHEUTI-FPTDNZKUSA-N	0	0	427.591	5.297	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(N(C)C)cc2)C1=O	ZINC000006378659	556085914	/nfs/dbraw/zinc/08/59/14/556085914.db2.gz	WRNXQTKBLFBTSF-JWGURIENSA-N	0	0	444.556	5.449	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1	ZINC000006407371	556086569	/nfs/dbraw/zinc/08/65/69/556086569.db2.gz	NZSJVRGPRFEVNE-XMMPIXPASA-N	0	0	430.548	5.246	50	30		IKEARN
Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000006444397	556087597	/nfs/dbraw/zinc/08/75/97/556087597.db2.gz	NRGKGSOUFUEMBN-HSZRJFAPSA-N	0	0	445.519	5.146	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1nc2ccccc2s1	ZINC000006459052	556089602	/nfs/dbraw/zinc/08/96/02/556089602.db2.gz	IYWQSLCVXDSORP-OAQYLSRUSA-N	0	0	442.496	5.088	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Br	ZINC000006844232	556106034	/nfs/dbraw/zinc/10/60/34/556106034.db2.gz	VPQQZKWYZYVTMU-UHFFFAOYSA-N	0	0	448.951	5.713	50	30		IKEARN
O=S(=O)(N=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000006975026	556112204	/nfs/dbraw/zinc/11/22/04/556112204.db2.gz	PIYQUGHKNHOZJL-UHFFFAOYSA-N	0	0	441.286	5.519	50	30		IKEARN
COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1cccs1)O2	ZINC000002704827	556123897	/nfs/dbraw/zinc/12/38/97/556123897.db2.gz	REEPVHFGHHQHDO-MOSHPQCFSA-N	0	0	428.469	5.004	50	30		IKEARN
COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1ccccc1Cc1ccccc1	ZINC000002790217	556139335	/nfs/dbraw/zinc/13/93/35/556139335.db2.gz	VUNSUTQEHBHTDM-CVKSISIWSA-N	0	0	430.533	5.001	50	30		IKEARN
CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@@H]2c2ccc(Cl)cc2)s1	ZINC000002806475	556142468	/nfs/dbraw/zinc/14/24/68/556142468.db2.gz	ALZDYDWECKTLBB-OAHLLOKOSA-N	0	0	438.862	5.270	50	30		IKEARN
C=CCNC(=S)N=NCc1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1	ZINC000002888693	556147569	/nfs/dbraw/zinc/14/75/69/556147569.db2.gz	KWPNXAVFAKPRIA-TURZUDJPSA-N	0	0	437.572	5.602	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S	ZINC000002851990	556147853	/nfs/dbraw/zinc/14/78/53/556147853.db2.gz	LRZHHYIZOMOTIQ-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O	ZINC000002902413	556149431	/nfs/dbraw/zinc/14/94/31/556149431.db2.gz	OLJRMDRLLOHXIE-CJLVFECKSA-N	0	0	443.524	5.419	50	30		IKEARN
O=C1ON=C(c2ccccc2)/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1	ZINC000003016952	556158289	/nfs/dbraw/zinc/15/82/89/556158289.db2.gz	DWSVNSQDALKEOT-KGENOOAVSA-N	0	0	434.289	5.373	50	30		IKEARN
Cc1cc(C)n(-c2nc(N=NCc3cccc4ccccc43)nc(Nc3ccc(C)cc3)n2)n1	ZINC000008385165	556161122	/nfs/dbraw/zinc/16/11/22/556161122.db2.gz	QACFRHGFIFVHBI-JVWAILMASA-N	0	0	448.534	5.325	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1	ZINC000008385200	556161198	/nfs/dbraw/zinc/16/11/98/556161198.db2.gz	VWJDRYKVGRMRDT-MAVBTGMRSA-N	0	0	429.973	5.245	50	30		IKEARN
O=C(/C=C/c1ccc(Br)cc1)Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1	ZINC000008386613	556162141	/nfs/dbraw/zinc/16/21/41/556162141.db2.gz	CIHHNIOZHNJFRI-ULEDHRJNSA-N	0	0	440.724	6.472	50	30		IKEARN
CCCCCCCCCCCCCCCCCC/N=C(/C)c1ccc2ccccc2c1O	ZINC000008397451	556164180	/nfs/dbraw/zinc/16/41/80/556164180.db2.gz	INGLVGYOCHRDMO-ZXPTYKNPSA-N	0	0	437.712	9.616	50	30		IKEARN
O=C1c2ccccc2N[C@@H](c2cccc3cccnc32)N1/N=C/c1cccc2cccnc12	ZINC000008397914	556164536	/nfs/dbraw/zinc/16/45/36/556164536.db2.gz	WPVWBYOJTFBRAC-FYFIDXDESA-N	0	0	429.483	5.384	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc2ccccc21	ZINC000008398263	556164782	/nfs/dbraw/zinc/16/47/82/556164782.db2.gz	UXJFJMSIQZUTRE-QDJRPKQISA-N	0	0	447.585	5.842	50	30		IKEARN
Cc1cc(=O)oc2c1ccc(O)c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000008399120	556165126	/nfs/dbraw/zinc/16/51/26/556165126.db2.gz	PNORUVCVLCSBBV-LQKURTRISA-N	0	0	448.482	5.377	50	30		IKEARN
CCCCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N	ZINC000008399205	556165347	/nfs/dbraw/zinc/16/53/47/556165347.db2.gz	RYFSXBLYAGLZFY-UHFFFAOYSA-N	0	0	430.617	7.748	50	30		IKEARN
COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1	ZINC000008399786	556165669	/nfs/dbraw/zinc/16/56/69/556165669.db2.gz	VFZJJXPBAFCJGD-LYAXJZIPSA-N	0	0	437.564	7.403	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000008414961	556167382	/nfs/dbraw/zinc/16/73/82/556167382.db2.gz	BDFRDFCFDWYBNM-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1	ZINC000008413559	556167392	/nfs/dbraw/zinc/16/73/92/556167392.db2.gz	IWRPYSNXHVNNGX-NRFANRHFSA-N	0	0	449.963	5.556	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008415132	556167698	/nfs/dbraw/zinc/16/76/98/556167698.db2.gz	OVUKUJSLCIKTLD-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
CN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N/c1ccc(Oc2ccccc2)cc1	ZINC000008424834	556167989	/nfs/dbraw/zinc/16/79/89/556167989.db2.gz	ZHUTWQVIPWXUAC-DIQLGICBSA-N	0	0	445.569	6.083	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000008425957	556168624	/nfs/dbraw/zinc/16/86/24/556168624.db2.gz	SPICJYJHSFWNHN-ZLNRFVROSA-N	0	0	441.943	5.686	50	30		IKEARN
CCN(CC)c1nc(N=NCc2ccc(Cl)cc2Cl)nc(NCc2ccccc2)n1	ZINC000008427187	556169389	/nfs/dbraw/zinc/16/93/89/556169389.db2.gz	CKSWAVBXTMPXFF-AFUMVMLFSA-N	0	0	444.370	5.083	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1	ZINC000008427016	556169412	/nfs/dbraw/zinc/16/94/12/556169412.db2.gz	VFXWBQPMRDEQGI-UHFFFAOYSA-N	0	0	448.405	7.008	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1ccc(Cl)c(-c2nc3ccccc3o2)c1	ZINC000008427381	556169682	/nfs/dbraw/zinc/16/96/82/556169682.db2.gz	HVDXBBFNUACQBW-FOKLQQMPSA-N	0	0	427.685	6.367	50	30		IKEARN
CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O	ZINC000008431349	556171076	/nfs/dbraw/zinc/17/10/76/556171076.db2.gz	NXBCRAFZZWCCCI-FBMGVBCBSA-N	0	0	449.979	5.293	50	30		IKEARN
CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1	ZINC000008432105	556171393	/nfs/dbraw/zinc/17/13/93/556171393.db2.gz	AJHDJVAAGJGEJD-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
CCCCCCCSc1nnc2n1c1sc(C)c(C)c1c(=O)n2-c1ccccc1	ZINC000008432107	556171471	/nfs/dbraw/zinc/17/14/71/556171471.db2.gz	CEKKINHLURETBK-UHFFFAOYSA-N	0	0	426.611	5.774	50	30		IKEARN
CCCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000008432070	556171565	/nfs/dbraw/zinc/17/15/65/556171565.db2.gz	BZFSOUBHLWUHFZ-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3	ZINC000008432272	556171758	/nfs/dbraw/zinc/17/17/58/556171758.db2.gz	LQXLJAFNAHATON-UHFFFAOYSA-N	0	0	440.678	6.642	50	30		IKEARN
CCN(CC)c1ccc(/C=[NH+]/[N-]c2nc(-c3cc4cccc(OC)c4oc3=O)cs2)cc1	ZINC000008432757	556172159	/nfs/dbraw/zinc/17/21/59/556172159.db2.gz	NPPZODLAYACBGU-AFUMVMLFSA-N	0	0	448.548	5.217	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccccc1	ZINC000008435053	556173070	/nfs/dbraw/zinc/17/30/70/556173070.db2.gz	WZCYQMKGKHOEPA-BEIQUOEZSA-N	0	0	425.579	5.469	50	30		IKEARN
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1	ZINC000008439123	556175139	/nfs/dbraw/zinc/17/51/39/556175139.db2.gz	FMGGJQSMQIOMEV-NJNXFGOHSA-N	0	0	437.517	5.185	50	30		IKEARN
CCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccccc3)[C@H]2c2ccccc2)cc1	ZINC000008439967	556176210	/nfs/dbraw/zinc/17/62/10/556176210.db2.gz	QOVPCICKTARHON-DEOSSOPVSA-N	0	0	427.500	5.254	50	30		IKEARN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440803	556176542	/nfs/dbraw/zinc/17/65/42/556176542.db2.gz	POSXQJOKESEPML-JOCHJYFZSA-N	0	0	435.476	5.138	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC	ZINC000008443862	556178590	/nfs/dbraw/zinc/17/85/90/556178590.db2.gz	CXNLWRAUFBFSFO-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
CCOC(=O)c1ccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)cc1	ZINC000008445542	556179844	/nfs/dbraw/zinc/17/98/44/556179844.db2.gz	WQYVYGRHVFNMBN-UHFFFAOYSA-N	0	0	441.984	5.644	50	30		IKEARN
N=C(N/N=C1\c2ccccc2N(Cc2ccccc2)C1=O)SCc1ccc(Cl)cc1	ZINC000008446368	556180169	/nfs/dbraw/zinc/18/01/69/556180169.db2.gz	QDLCINIVFFODFR-YYADALCUSA-N	0	0	434.952	5.049	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(c1ccccc1)CC2	ZINC000008453955	556184649	/nfs/dbraw/zinc/18/46/49/556184649.db2.gz	RQLUERFWWDWQHM-UHFFFAOYSA-N	0	0	443.635	7.788	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)s2)CCC/C1=C\c1ccc(Br)s1	ZINC000008454815	556185251	/nfs/dbraw/zinc/18/52/51/556185251.db2.gz	TVEAESGOBIRZPF-GFULKKFKSA-N	0	0	444.213	6.555	50	30		IKEARN
C[C@@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1	ZINC000008456729	556186183	/nfs/dbraw/zinc/18/61/83/556186183.db2.gz	YPWJUYSPRHECOD-ZCFIWIBFSA-N	0	0	438.315	5.151	50	30		IKEARN
COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\OC(=O)c1ccccc1Cl	ZINC000008637219	556195375	/nfs/dbraw/zinc/19/53/75/556195375.db2.gz	KUBMCSHKMMJCPB-HYARGMPZSA-N	0	0	437.970	5.444	50	30		IKEARN
CCCCc1ccc(NC=NOC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1	ZINC000008648382	556195990	/nfs/dbraw/zinc/19/59/90/556195990.db2.gz	KBDFZDQUNDOFHY-UHFFFAOYSA-N	0	0	446.391	6.587	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000008659733	556197286	/nfs/dbraw/zinc/19/72/86/556197286.db2.gz	KNLCQTIEBLYWRY-WFFFFOTMSA-N	0	0	445.588	6.503	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000008706373	556201133	/nfs/dbraw/zinc/20/11/33/556201133.db2.gz	WQIDKWJKTUGALS-NRFANRHFSA-N	0	0	445.321	5.739	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)ccc1Cl	ZINC000008715759	556202014	/nfs/dbraw/zinc/20/20/14/556202014.db2.gz	FEBHIZUUQWYEBB-DEOSSOPVSA-N	0	0	445.946	6.555	50	30		IKEARN
O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000008715661	556202089	/nfs/dbraw/zinc/20/20/89/556202089.db2.gz	FACFRSNELMLMHL-HXUWFJFHSA-N	0	0	440.337	5.360	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C/c1ccccc1	ZINC000008721447	556203027	/nfs/dbraw/zinc/20/30/27/556203027.db2.gz	MEBYLSQVZSCHEG-VRAYXWLRSA-N	0	0	448.566	6.484	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008739493	556205898	/nfs/dbraw/zinc/20/58/98/556205898.db2.gz	XSNZQLRHBCSYNV-FQEVSTJZSA-N	0	0	432.545	5.532	50	30		IKEARN
O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000008742400	556207453	/nfs/dbraw/zinc/20/74/53/556207453.db2.gz	QWEUJZVWVIGFFA-SFHVURJKSA-N	0	0	445.327	5.228	50	30		IKEARN
N#CC1(C#N)[C@@H](C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H]1c1ccc(Br)cc1F	ZINC000008747784	556210069	/nfs/dbraw/zinc/21/00/69/556210069.db2.gz	SPHGPQZGQGWSKW-YLPLBHSOSA-N	0	0	427.317	5.121	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C(=O)OCc1ccccc1)[C@@H]2c1ccc(Cl)cc1	ZINC000008748038	556210105	/nfs/dbraw/zinc/21/01/05/556210105.db2.gz	WSDGGKBASRLSBF-HXUWFJFHSA-N	0	0	437.923	5.011	50	30		IKEARN
CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000008798214	556216464	/nfs/dbraw/zinc/21/64/64/556216464.db2.gz	WKFPXJIIGDJQJX-MFKUBSTISA-N	0	0	439.968	5.638	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(Cl)c(Cl)c2)c1=O	ZINC000097474810	556216710	/nfs/dbraw/zinc/21/67/10/556216710.db2.gz	MRRCQZJWNZPTSZ-YWEYNIOJSA-N	0	0	427.125	5.444	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1	ZINC000008818437	556218311	/nfs/dbraw/zinc/21/83/11/556218311.db2.gz	KBIPPHDYJJXYAY-HHHXNRCGSA-N	0	0	445.607	5.942	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1C	ZINC000008827585	556224607	/nfs/dbraw/zinc/22/46/07/556224607.db2.gz	ZYABHEFXDHFXBQ-QHCPKHFHSA-N	0	0	446.503	5.206	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C(F)(F)F)cc1	ZINC000008846697	556227148	/nfs/dbraw/zinc/22/71/48/556227148.db2.gz	SWLSQKIALIIEJM-HFJWLAOPSA-N	0	0	448.488	6.993	50	30		IKEARN
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NC(=O)CCCCCCC	ZINC000008860496	556228060	/nfs/dbraw/zinc/22/80/60/556228060.db2.gz	LGOFBZUQIUVJFS-LOSJGSFVSA-N	0	0	427.714	6.666	50	30	in-vitro	IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008914675	556231983	/nfs/dbraw/zinc/23/19/83/556231983.db2.gz	IMYBGGKDASVCGA-HXUWFJFHSA-N	0	0	447.560	5.235	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000008914674	556232040	/nfs/dbraw/zinc/23/20/40/556232040.db2.gz	IMYBGGKDASVCGA-FQEVSTJZSA-N	0	0	447.560	5.235	50	30		IKEARN
COc1cccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1	ZINC000008913997	556232072	/nfs/dbraw/zinc/23/20/72/556232072.db2.gz	FVWWBSVRCAEWET-KMRXNPHXSA-N	0	0	438.527	5.616	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1	ZINC000008916831	556232838	/nfs/dbraw/zinc/23/28/38/556232838.db2.gz	CQJJTUOODQCOMJ-MNNSJKJDSA-N	0	0	436.599	7.272	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1	ZINC000008916829	556232861	/nfs/dbraw/zinc/23/28/61/556232861.db2.gz	CQJJTUOODQCOMJ-KPURRNSFSA-N	0	0	436.599	7.272	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000008926757	556234410	/nfs/dbraw/zinc/23/44/10/556234410.db2.gz	FXNBYLPGDWPUPX-CMJOXMDJSA-N	0	0	441.618	5.685	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1	ZINC000008995930	556239400	/nfs/dbraw/zinc/23/94/00/556239400.db2.gz	MMIBLOSSVCAZDX-UZTOHYMASA-N	0	0	426.491	5.746	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1	ZINC000009010454	556240894	/nfs/dbraw/zinc/24/08/94/556240894.db2.gz	HGIGHMZGXILPRD-FPTDNZKUSA-N	0	0	427.953	5.245	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1	ZINC000009046709	556243034	/nfs/dbraw/zinc/24/30/34/556243034.db2.gz	ZOUWHWFPLPEONG-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000009087962	556245836	/nfs/dbraw/zinc/24/58/36/556245836.db2.gz	QEEOHGYJWWLBED-NRFANRHFSA-N	0	0	448.862	5.027	50	30		IKEARN
CCOc1ccc(/N=C2/c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000009109098	556247086	/nfs/dbraw/zinc/24/70/86/556247086.db2.gz	WDDHFCKHYYDBCB-ROMGYVFFSA-N	0	0	425.315	6.060	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4OC)c3c2C1	ZINC000009109773	556247427	/nfs/dbraw/zinc/24/74/27/556247427.db2.gz	OQMKVRXONMWMOV-ZFNRIHGUSA-N	0	0	434.609	6.352	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000009113493	556247775	/nfs/dbraw/zinc/24/77/75/556247775.db2.gz	VVLLUTNDRUIFPM-QMHKHESXSA-N	0	0	441.618	5.679	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC	ZINC000009129833	556248872	/nfs/dbraw/zinc/24/88/72/556248872.db2.gz	OJTUKUXDZSBQNV-VWLOTQADSA-N	0	0	448.563	5.503	50	30		IKEARN
N=C(Cc1cccc2ccccc21)NOC(=O)N1c2ccccc2Sc2ccccc21	ZINC000009136834	556249165	/nfs/dbraw/zinc/24/91/65/556249165.db2.gz	OUWGAZDEOWEFCB-UHFFFAOYSA-N	0	0	425.513	6.094	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000009241270	556266380	/nfs/dbraw/zinc/26/63/80/556266380.db2.gz	GRPZPOJIPMCRJD-FQEVSTJZSA-N	0	0	439.298	5.167	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12	ZINC000009242712	556266729	/nfs/dbraw/zinc/26/67/29/556266729.db2.gz	ZBQOOGVMABWGQS-XDHUDOTRSA-N	0	0	426.907	5.500	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000009246830	556267354	/nfs/dbraw/zinc/26/73/54/556267354.db2.gz	PYYUUKYQCKCTOA-MRDQGFSESA-N	0	0	432.926	6.767	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1	ZINC000009259665	556268006	/nfs/dbraw/zinc/26/80/06/556268006.db2.gz	KRPIAXGVVQOJKF-LDADJPATSA-N	0	0	432.530	5.507	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc21	ZINC000009261291	556268957	/nfs/dbraw/zinc/26/89/57/556268957.db2.gz	IAHJEHCUERBSJE-BUVRLJJBSA-N	0	0	441.531	6.278	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N2	ZINC000009264144	556270189	/nfs/dbraw/zinc/27/01/89/556270189.db2.gz	YFWSVQLVBLNGDU-SANMLTNESA-N	0	0	449.381	7.174	50	30		IKEARN
COc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@@H]2c2ccccc2)cc1	ZINC000009264178	556270209	/nfs/dbraw/zinc/27/02/09/556270209.db2.gz	JPLOWEVPXSUXRA-SANMLTNESA-N	0	0	439.515	5.908	50	30		IKEARN
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1	ZINC000009264184	556270355	/nfs/dbraw/zinc/27/03/55/556270355.db2.gz	GDZACYRSGQJUCA-AREMUKBSSA-N	0	0	430.548	5.782	50	30		IKEARN
COc1ccccc1[C@H]1C2C(=O)C[C@@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O	ZINC000009264314	556270413	/nfs/dbraw/zinc/27/04/13/556270413.db2.gz	GHIOUXPTYCHIBO-QLXKLKPCSA-N	0	0	428.488	5.209	50	30		IKEARN
O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000009264372	556270431	/nfs/dbraw/zinc/27/04/31/556270431.db2.gz	IZHRCDYDYOIOKV-LMKMVOKYSA-N	0	0	440.455	5.680	50	30		IKEARN
CC1=Nc2ccccc2NC(=NC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Cl)cc1	ZINC000009281100	556272113	/nfs/dbraw/zinc/27/21/13/556272113.db2.gz	FJOTZLTVHBWUEO-NRFANRHFSA-N	0	0	432.867	5.789	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1	ZINC000009300557	556275850	/nfs/dbraw/zinc/27/58/50/556275850.db2.gz	SWEXRNUITMYTMM-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1	ZINC000009301155	556275917	/nfs/dbraw/zinc/27/59/17/556275917.db2.gz	ZDMMAPDMIUEIRU-MHZLTWQESA-N	0	0	447.538	6.015	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC	ZINC000009304657	556276181	/nfs/dbraw/zinc/27/61/81/556276181.db2.gz	QXCHNEVRCWRNJA-JXKYSLRESA-N	0	0	444.556	5.816	50	30		IKEARN
Cc1cc(C=NNc2ccc(I)cc2)c(C)n1-c1ccc(C)cc1	ZINC000009311802	556279960	/nfs/dbraw/zinc/27/99/60/556279960.db2.gz	RTQVYIYYVIEATR-LPYMAVHISA-N	0	0	429.305	5.453	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000009329780	556282613	/nfs/dbraw/zinc/28/26/13/556282613.db2.gz	AJODGYLCVPQYID-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009329990	556282676	/nfs/dbraw/zinc/28/26/76/556282676.db2.gz	DKCUPIRPNJGSAE-QFIPXVFZSA-N	0	0	435.907	5.835	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009363607	556285835	/nfs/dbraw/zinc/28/58/35/556285835.db2.gz	YPIBYYRTHJTVPV-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccc(F)cc1	ZINC000009425505	556289959	/nfs/dbraw/zinc/28/99/59/556289959.db2.gz	WVGDDYBEUJOQAA-JFLMPSFJSA-N	0	0	447.535	6.291	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1	ZINC000009461713	556293155	/nfs/dbraw/zinc/29/31/55/556293155.db2.gz	TZKRCBPRLXRXGF-ZNUIVASASA-N	0	0	449.668	6.525	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C	ZINC000009482472	556294197	/nfs/dbraw/zinc/29/41/97/556294197.db2.gz	YBSFSPPJDDCCAC-VWLOTQADSA-N	0	0	434.584	5.452	50	30		IKEARN
CC(C)c1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1	ZINC000009546510	556297351	/nfs/dbraw/zinc/29/73/51/556297351.db2.gz	ACPGPSJEZKUOPU-RBISFHTESA-N	0	0	433.555	6.575	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccs3)C12	ZINC000009546498	556297403	/nfs/dbraw/zinc/29/74/03/556297403.db2.gz	BZZXKWMOGQKOBW-CMJOXMDJSA-N	0	0	431.948	6.167	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)c1	ZINC000009559867	556298544	/nfs/dbraw/zinc/29/85/44/556298544.db2.gz	VBOMNYVAOUBMGG-WBMJQRKESA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1	ZINC000009559874	556298578	/nfs/dbraw/zinc/29/85/78/556298578.db2.gz	ZYDCFFHSFVTXPW-YVEFUNNKSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)c1	ZINC000009559995	556299119	/nfs/dbraw/zinc/29/91/19/556299119.db2.gz	DQMUKBLCFGBICH-CZUORRHYSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC	ZINC000009560022	556299209	/nfs/dbraw/zinc/29/92/09/556299209.db2.gz	XNQSIZHVUSNFFG-ZFWWWQNUSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)ccc1O	ZINC000013756589	556300829	/nfs/dbraw/zinc/30/08/29/556300829.db2.gz	IYDGWTBAMOSAAW-BRJLIKDPSA-N	0	0	439.302	5.764	50	30		IKEARN
CCCCCC(=O)Oc1c(/C=N/N(c2ccccc2)c2ccccc2)sc2ccccc21	ZINC000013765660	556302862	/nfs/dbraw/zinc/30/28/62/556302862.db2.gz	QCTOADIMOIZILZ-VFCFBJKWSA-N	0	0	442.584	7.559	50	30		IKEARN
COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1	ZINC000013838856	556317215	/nfs/dbraw/zinc/31/72/15/556317215.db2.gz	UUXGPJGDKDEHSK-XMMPIXPASA-N	0	0	425.488	5.334	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccco1	ZINC000009934355	556318160	/nfs/dbraw/zinc/31/81/60/556318160.db2.gz	RNCCSISZHQBOIK-XRHLQHRESA-N	0	0	442.515	5.599	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc(OC)c1OC	ZINC000009972234	556319761	/nfs/dbraw/zinc/31/97/61/556319761.db2.gz	VOONULXUNBRPOD-MQNRADLISA-N	0	0	446.503	5.285	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000009993325	556320050	/nfs/dbraw/zinc/32/00/50/556320050.db2.gz	PESMSLZLKCJSHT-HXUWFJFHSA-N	0	0	430.460	5.218	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC	ZINC000009982679	556320088	/nfs/dbraw/zinc/32/00/88/556320088.db2.gz	QSWKHWCARMUOIP-IERDGZPVSA-N	0	0	439.602	5.313	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013763	556322677	/nfs/dbraw/zinc/32/26/77/556322677.db2.gz	PONHLWOSHSALCG-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1	ZINC000010035299	556323049	/nfs/dbraw/zinc/32/30/49/556323049.db2.gz	XUAGXEOBLFQHEV-DWXRJYCRSA-N	0	0	447.987	7.008	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@H]3c2ccc(Cl)cc2)cc1	ZINC000010035301	556323060	/nfs/dbraw/zinc/32/30/60/556323060.db2.gz	XUAGXEOBLFQHEV-QYBDOPJKSA-N	0	0	447.987	7.008	50	30		IKEARN
C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1	ZINC000010035317	556323150	/nfs/dbraw/zinc/32/31/50/556323150.db2.gz	KDUKQIGZEHYLQG-OYLFLEFRSA-N	0	0	432.907	6.000	50	30		IKEARN
CCCOc1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)cc1OC	ZINC000010059699	556324069	/nfs/dbraw/zinc/32/40/69/556324069.db2.gz	NNIBIDYEKKSCLP-SANMLTNESA-N	0	0	429.541	6.351	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1	ZINC000013881435	556326273	/nfs/dbraw/zinc/32/62/73/556326273.db2.gz	AIQYXDWFYMPQRS-PFMNSIPKSA-N	0	0	432.545	5.489	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C	ZINC000013881565	556326282	/nfs/dbraw/zinc/32/62/82/556326282.db2.gz	HXPAHSAEJQQVQZ-UNOMPAQXSA-N	0	0	446.557	5.816	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)s1	ZINC000013893774	556327996	/nfs/dbraw/zinc/32/79/96/556327996.db2.gz	JFKLCDVPSGHJRM-JOCHJYFZSA-N	0	0	438.390	6.973	50	30		IKEARN
O=[N+]([O-])c1ccc(OCCCOc2ccccc2)c(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000013898932	556330893	/nfs/dbraw/zinc/33/08/93/556330893.db2.gz	CIMPAWGZUMXNIW-LFVJCYFKSA-N	0	0	448.504	5.498	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1	ZINC000013899607	556331210	/nfs/dbraw/zinc/33/12/10/556331210.db2.gz	JCUQFBSGJBJVSM-PDGQHHTCSA-N	0	0	448.529	5.207	50	30		IKEARN
Clc1ccc(COc2ccc3ccccc3c2C=NN=c2[nH]c3ccccc3s2)cc1	ZINC000013940436	556337871	/nfs/dbraw/zinc/33/78/71/556337871.db2.gz	GBFDQSOTDLFJPL-JFLMPSFJSA-N	0	0	443.959	7.128	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O	ZINC000013941937	556338873	/nfs/dbraw/zinc/33/88/73/556338873.db2.gz	JNHVMCJKEAPXRS-RGEXLXHISA-N	0	0	441.980	6.181	50	30		IKEARN
CNc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)cc1	ZINC000032816939	556393053	/nfs/dbraw/zinc/39/30/53/556393053.db2.gz	UZPHVHRVKJFAAY-NRFANRHFSA-N	0	0	433.943	5.298	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\N=C/c1ccccc1	ZINC000032623426	556410701	/nfs/dbraw/zinc/41/07/01/556410701.db2.gz	CHGTZCQDZPMJEW-ODLUWJAMSA-N	0	0	438.556	5.590	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2sccc2C)c2nc3ccccc3[nH]2)cc(OC)c1OC	ZINC000032642230	556412245	/nfs/dbraw/zinc/41/22/45/556412245.db2.gz	AHSBXKMJQWJRAZ-SSZFMOIBSA-N	0	0	434.517	5.382	50	30		IKEARN
Cc1ccc(Sc2nc3ccccc3nc2[C@H](C#N)S(=O)(=O)c2ccc(F)cc2)cc1	ZINC000032828857	556413243	/nfs/dbraw/zinc/41/32/43/556413243.db2.gz	HYCGMZNNNSECJW-NRFANRHFSA-N	0	0	449.532	5.267	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1	ZINC000032828687	556413264	/nfs/dbraw/zinc/41/32/64/556413264.db2.gz	WCNUAQCIHVQXMH-OAQYLSRUSA-N	0	0	431.542	5.128	50	30		IKEARN
CC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C	ZINC000032672371	556415024	/nfs/dbraw/zinc/41/50/24/556415024.db2.gz	YCFXQLNAAFVZPJ-NSHDSACASA-N	0	0	441.862	5.256	50	30		IKEARN
CC(=O)c1cc(C#N)c(S[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nc1C	ZINC000032672369	556415064	/nfs/dbraw/zinc/41/50/64/556415064.db2.gz	YCFXQLNAAFVZPJ-LLVKDONJSA-N	0	0	441.862	5.256	50	30		IKEARN
O=C(C1=CN[C@H](c2nc(-c3cccnc3)cs2)[C@@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000004398547	556416258	/nfs/dbraw/zinc/41/62/58/556416258.db2.gz	ZUCDXCDTCAMUQB-PKTZIBPZSA-N	0	0	443.959	6.053	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1ccccc1	ZINC000014605392	556429234	/nfs/dbraw/zinc/42/92/34/556429234.db2.gz	LGPDOZODHGTGEC-HHHXNRCGSA-N	0	0	443.591	5.362	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000015015881	556485069	/nfs/dbraw/zinc/48/50/69/556485069.db2.gz	RPATUCQHNBLEPW-PJICLEDRSA-N	0	0	425.307	5.851	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1Cl	ZINC000015016563	556485754	/nfs/dbraw/zinc/48/57/54/556485754.db2.gz	KTHSSYVEJXEAMZ-ODLFYWEKSA-N	0	0	429.328	6.453	50	30		IKEARN
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)c1	ZINC000015018566	556487191	/nfs/dbraw/zinc/48/71/91/556487191.db2.gz	YLAFORKVHYADGE-XDHOZWIPSA-N	0	0	438.892	5.278	50	30		IKEARN
Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccc(C)c(C)c1	ZINC000015018562	556487208	/nfs/dbraw/zinc/48/72/08/556487208.db2.gz	NRIDPLRUNPLEBB-UVHMKAGCSA-N	0	0	430.577	5.243	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000015054363	556490167	/nfs/dbraw/zinc/49/01/67/556490167.db2.gz	BJKOPLOZQDQIOT-DEVZUPFRSA-N	0	0	440.568	5.975	50	30		IKEARN
Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@H]2C(=O)Nc2ccccc2)cc1	ZINC000015081084	556501154	/nfs/dbraw/zinc/50/11/54/556501154.db2.gz	OJPIWRXLXMPYGY-ZNZIZOMTSA-N	0	0	438.527	5.117	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1c(C)cccc1C	ZINC000015187932	556509805	/nfs/dbraw/zinc/50/98/05/556509805.db2.gz	LPDAQFYGEIOTBQ-VAWYXSNFSA-N	0	0	444.478	6.359	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C(F)(F)F)cc2)cc1	ZINC000015303965	556517122	/nfs/dbraw/zinc/51/71/22/556517122.db2.gz	LLNRKJFJWZESND-SIBVEZHUSA-N	0	0	448.488	6.993	50	30		IKEARN
Cc1cccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1	ZINC000003082617	556518650	/nfs/dbraw/zinc/51/86/50/556518650.db2.gz	MUWALAUZTCLUDC-WYMPLXKRSA-N	0	0	429.259	6.180	50	30		IKEARN
Cc1cccc(C(=O)Nc2ccccc2OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1	ZINC000003079997	556518671	/nfs/dbraw/zinc/51/86/71/556518671.db2.gz	FCEMVQOAXPYAMU-UHFFFAOYSA-N	0	0	441.318	5.797	50	30		IKEARN
CCC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4ccc(Cl)c(Cl)c4)cc3)nc2c1	ZINC000003083653	556518686	/nfs/dbraw/zinc/51/86/86/556518686.db2.gz	ITZRYUJKLJAVHQ-NEZLHVBRSA-N	0	0	437.370	8.456	50	30		IKEARN
Cc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1C	ZINC000003081510	556518690	/nfs/dbraw/zinc/51/86/90/556518690.db2.gz	ABOSHFVVARWTRU-OCHMLHLXSA-N	0	0	434.333	6.435	50	30		IKEARN
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c(C)c1	ZINC000003089335	556519261	/nfs/dbraw/zinc/51/92/61/556519261.db2.gz	JESWEOYXVXZQRP-BRJLIKDPSA-N	0	0	443.286	6.488	50	30		IKEARN
Cc1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c(O)c(Br)c1C	ZINC000003087343	556519659	/nfs/dbraw/zinc/51/96/59/556519659.db2.gz	SSUVVFZDIWKZGY-WYMPLXKRSA-N	0	0	437.362	6.799	50	30		IKEARN
CCCCCCCOc1ccccc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1	ZINC000003094768	556520463	/nfs/dbraw/zinc/52/04/63/556520463.db2.gz	HHLQQURILQTTOH-JJKYIXSRSA-N	0	0	437.587	7.639	50	30		IKEARN
C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(-c2ccccn2)n1	ZINC000032893082	556520755	/nfs/dbraw/zinc/52/07/55/556520755.db2.gz	VPQVDDYDBCGSRZ-UHFFFAOYSA-N	0	0	435.578	5.162	50	30		IKEARN
O=C(Nc1ccccc1C(F)(F)F)NC(Oc1ccccc1)(C(F)(F)F)C(F)(F)F	ZINC000003103342	556522855	/nfs/dbraw/zinc/52/28/55/556522855.db2.gz	DAFYLSREFNVIMO-UHFFFAOYSA-N	0	0	446.269	5.727	50	30		IKEARN
Cc1ccc(S(=O)(=O)N/N=C(/Cc2ccccc2)c2ccc(-c3ccccc3)cc2)cc1	ZINC000015637007	556539636	/nfs/dbraw/zinc/53/96/36/556539636.db2.gz	FZSZHDGXRAIPAP-DQSJHHFOSA-N	0	0	440.568	5.587	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)ccc1O	ZINC000032614494	556542530	/nfs/dbraw/zinc/54/25/30/556542530.db2.gz	FPPIIWYNXSKSHB-YSMPRRRNSA-N	0	0	430.895	5.624	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000015769106	556549792	/nfs/dbraw/zinc/54/97/92/556549792.db2.gz	JTKVWSABDAHHAV-VLSFKVKESA-N	0	0	440.455	5.086	50	30		IKEARN
CC(=O)N(c1nc(CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)cs1)c1ccc(C)c(C)c1	ZINC000072305321	556550545	/nfs/dbraw/zinc/55/05/45/556550545.db2.gz	QBXBEBVLSQZLFW-DQEYMECFSA-N	0	0	444.604	5.716	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1cccs1	ZINC000015826297	556554273	/nfs/dbraw/zinc/55/42/73/556554273.db2.gz	HNFFZLOPTYTOMB-QFIPXVFZSA-N	0	0	434.586	6.266	50	30		IKEARN
C/C(=N\N(c1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccccc1)c1ccc(Cl)cc1	ZINC000033630489	556566551	/nfs/dbraw/zinc/56/65/51/556566551.db2.gz	PLXKJFWPOVOXNG-WGOQTCKBSA-N	0	0	448.935	6.934	50	30		IKEARN
Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2	ZINC000015945603	556566793	/nfs/dbraw/zinc/56/67/93/556566793.db2.gz	RPSZMEKANDWJCC-CIRUFVMISA-N	0	0	436.646	7.272	50	30		IKEARN
C=CCn1cnnc1Sc1nc(CSc2ccccc2)nc2sc(C)c(C)c21	ZINC000032909011	556566799	/nfs/dbraw/zinc/56/67/99/556566799.db2.gz	LAXZBTGALVNSSU-UHFFFAOYSA-N	0	0	425.608	5.529	50	30		IKEARN
N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1	ZINC000015981203	556570882	/nfs/dbraw/zinc/57/08/82/556570882.db2.gz	VYDHBACIMLOFSS-AREMUKBSSA-N	0	0	429.350	7.159	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(C)cc2)c1C	ZINC000032971634	556589352	/nfs/dbraw/zinc/58/93/52/556589352.db2.gz	UBOIRUFTVMQWOP-UHFFFAOYSA-N	0	0	445.611	5.524	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C	ZINC000032972027	556589832	/nfs/dbraw/zinc/58/98/32/556589832.db2.gz	WJZRYPURRBCPAQ-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1cc(C)cc(C)c1)NCc1c(C)nn(CC)c1C	ZINC000032972042	556589846	/nfs/dbraw/zinc/58/98/46/556589846.db2.gz	RHFUJYTXYBAUQT-UHFFFAOYSA-N	0	0	431.584	5.097	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(OC)cc2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032972252	556590095	/nfs/dbraw/zinc/59/00/95/556590095.db2.gz	WJHLAQASWDSGQH-UHFFFAOYSA-N	0	0	447.583	5.050	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cccc(C)c1	ZINC000032972320	556590335	/nfs/dbraw/zinc/59/03/35/556590335.db2.gz	VTKXRCJRVKAGCL-UHFFFAOYSA-N	0	0	431.584	5.041	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1c(C)nn(C)c1C	ZINC000032972325	556590667	/nfs/dbraw/zinc/59/06/67/556590667.db2.gz	VTFVMFRVUXIOTF-UHFFFAOYSA-N	0	0	445.611	5.295	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1ccc(C(C)C)cc1	ZINC000032972350	556590682	/nfs/dbraw/zinc/59/06/82/556590682.db2.gz	VQHYJTDEIZYCLQ-UHFFFAOYSA-N	0	0	437.975	5.212	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cccc(Cl)c1)Nc1cc(Cl)ccc1C	ZINC000032972339	556590739	/nfs/dbraw/zinc/59/07/39/556590739.db2.gz	BZHSENCLCRDZLL-UHFFFAOYSA-N	0	0	444.366	5.050	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1cc(C)cc(C)c1	ZINC000032972328	556590751	/nfs/dbraw/zinc/59/07/51/556590751.db2.gz	XUXRRTNKRLTSNW-UHFFFAOYSA-N	0	0	445.611	5.349	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(OCC)cc2)c(C)n1	ZINC000032972767	556591211	/nfs/dbraw/zinc/59/12/11/556591211.db2.gz	TYNQCNXKLPIZIX-UHFFFAOYSA-N	0	0	447.583	5.015	50	30		IKEARN
COc1ccc(C(=O)CC(=CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1	ZINC000016216097	556591889	/nfs/dbraw/zinc/59/18/89/556591889.db2.gz	ZSSXBNVKMBKHSS-SILNSSARSA-N	0	0	435.317	5.997	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c(C)n1	ZINC000032973028	556591936	/nfs/dbraw/zinc/59/19/36/556591936.db2.gz	CPRGDGIXYFESAS-UHFFFAOYSA-N	0	0	435.547	5.064	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c(C)n1	ZINC000032973025	556591946	/nfs/dbraw/zinc/59/19/46/556591946.db2.gz	WSKRQVABBASWJS-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2ccccc2CC)c(C)n1	ZINC000032972974	556591973	/nfs/dbraw/zinc/59/19/73/556591973.db2.gz	ZOMLUJMHUHWOBA-UHFFFAOYSA-N	0	0	437.975	5.215	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(SC)c2)c(C)n1	ZINC000032973002	556592016	/nfs/dbraw/zinc/59/20/16/556592016.db2.gz	QZTRYEGESVSBSQ-UHFFFAOYSA-N	0	0	449.624	5.338	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972924	556592648	/nfs/dbraw/zinc/59/26/48/556592648.db2.gz	LXVFUTZXAIPHKB-UHFFFAOYSA-N	0	0	431.584	5.431	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C)cc2C)c1C	ZINC000032973225	556593669	/nfs/dbraw/zinc/59/36/69/556593669.db2.gz	JUCWFCLVLWSJNL-UHFFFAOYSA-N	0	0	449.574	5.025	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)cc2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973292	556593706	/nfs/dbraw/zinc/59/37/06/556593706.db2.gz	JJMZCXBMYAUZLX-UHFFFAOYSA-N	0	0	445.611	5.392	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c1C	ZINC000032973378	556594147	/nfs/dbraw/zinc/59/41/47/556594147.db2.gz	JWAYPNPBRZGKML-UHFFFAOYSA-N	0	0	449.574	5.025	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@@H](c2ccco2)C3)o1	ZINC000016294220	556598884	/nfs/dbraw/zinc/59/88/84/556598884.db2.gz	OYBXZWOJWFPKQS-AFMDSPMNSA-N	0	0	443.499	5.286	50	30		IKEARN
CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000016293773	556598900	/nfs/dbraw/zinc/59/89/00/556598900.db2.gz	VUTUFMZWYNJASA-XMMPIXPASA-N	0	0	446.616	5.960	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984175	556603503	/nfs/dbraw/zinc/60/35/03/556603503.db2.gz	FHOOWJKUIMCEAS-UHFFFAOYSA-N	0	0	443.446	5.664	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(F)cc3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984430	556603823	/nfs/dbraw/zinc/60/38/23/556603823.db2.gz	FEVXEROXWAKSRC-UHFFFAOYSA-N	0	0	425.456	5.231	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(F)c(F)c3)c3ccccc3S2(=O)=O)c(C)c1	ZINC000032984275	556603999	/nfs/dbraw/zinc/60/39/99/556603999.db2.gz	LCEZHEPHUXDBGN-UHFFFAOYSA-N	0	0	425.456	5.231	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984357	556604222	/nfs/dbraw/zinc/60/42/22/556604222.db2.gz	ODMMMSODBSQUSQ-UHFFFAOYSA-N	0	0	427.884	5.437	50	30		IKEARN
Cc1occc1C(=O)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1	ZINC000016400340	556605448	/nfs/dbraw/zinc/60/54/48/556605448.db2.gz	BVPYNRHZHDUECJ-UHFFFAOYSA-N	0	0	429.288	5.061	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2ccc(Cl)cc2)o1	ZINC000016429473	556607285	/nfs/dbraw/zinc/60/72/85/556607285.db2.gz	KKEWDDSIGZQNBQ-OAHLVZFQSA-N	0	0	436.714	6.621	50	30		IKEARN
O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000016449133	556608997	/nfs/dbraw/zinc/60/89/97/556608997.db2.gz	HLPMRGINIQLOSN-ZDLGFXPLSA-N	0	0	449.746	6.798	50	30		IKEARN
Cc1ccc2c(c1)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2	ZINC000016474313	556609940	/nfs/dbraw/zinc/60/99/40/556609940.db2.gz	UJZANIZMWMDRKJ-NRFANRHFSA-N	0	0	427.342	5.685	50	30		IKEARN
Fc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)n2)cc1	ZINC000016513052	556613201	/nfs/dbraw/zinc/61/32/01/556613201.db2.gz	AGENSSCHPZMKAA-CVKSISIWSA-N	0	0	447.311	6.158	50	30		IKEARN
COc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1	ZINC000016677598	556622637	/nfs/dbraw/zinc/62/26/37/556622637.db2.gz	MKKRSXDVXPKKDA-ZVHZXABRSA-N	0	0	433.309	5.514	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c(C)c1	ZINC000033736504	556627752	/nfs/dbraw/zinc/62/77/52/556627752.db2.gz	WKOKHHOWWHAYEC-DSITVLBTSA-N	0	0	435.552	5.649	50	30		IKEARN
CC(C)(C)c1ccc(Cn2c3ccccc3nc2/N=C/c2ccc(Br)cc2)cc1	ZINC000033751103	556630521	/nfs/dbraw/zinc/63/05/21/556630521.db2.gz	FUQUXEHIZBCOBC-JVWAILMASA-N	0	0	446.392	6.895	50	30		IKEARN
O=[N+]([O-])c1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1	ZINC000033770006	556633284	/nfs/dbraw/zinc/63/32/84/556633284.db2.gz	PVDHHCYITVVQQC-UUYOSTAYSA-N	0	0	437.253	5.612	50	30		IKEARN
Cc1ccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)c1	ZINC000016739194	556634030	/nfs/dbraw/zinc/63/40/30/556634030.db2.gz	LFPHMBOIEXIZCV-FPEJUQHSSA-N	0	0	429.545	5.468	50	30		IKEARN
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3C)c3ccccc3C2=O)cc1	ZINC000016739924	556634310	/nfs/dbraw/zinc/63/43/10/556634310.db2.gz	KNMWUNAGRZAPMY-XTCLZLMSSA-N	0	0	447.581	5.662	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016741221	556634910	/nfs/dbraw/zinc/63/49/10/556634910.db2.gz	GKWWIEPEERDZRD-DEOSSOPVSA-N	0	0	444.506	5.431	50	30		IKEARN
COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2	ZINC000016741243	556634916	/nfs/dbraw/zinc/63/49/16/556634916.db2.gz	JIORRJCEISULCP-UCQKPKSFSA-N	0	0	440.430	5.081	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@H]2c2ccncc2)cc1	ZINC000016741315	556635175	/nfs/dbraw/zinc/63/51/75/556635175.db2.gz	NOJQMHIZVDVQQG-NRFANRHFSA-N	0	0	441.512	5.091	50	30		IKEARN
Cc1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1	ZINC000016751374	556637505	/nfs/dbraw/zinc/63/75/05/556637505.db2.gz	QEHLAPSZERQTKB-CVKSISIWSA-N	0	0	430.508	5.956	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccccc3OC)N(c3ccccc3OC)C2=O)cc1	ZINC000016769993	556640426	/nfs/dbraw/zinc/64/04/26/556640426.db2.gz	XOMWYVHPOKFGDA-JTUXUYRKSA-N	0	0	446.528	5.521	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2cccs2)cc1C(F)(F)F	ZINC000016805389	556643373	/nfs/dbraw/zinc/64/33/73/556643373.db2.gz	QKHPCAIWCXTCTM-UHFFFAOYSA-N	0	0	445.318	7.300	50	30		IKEARN
CCOC(=O)Nc1sc(N=NCc2ccc(OC)c(OC)c2)nc1-c1ccc(C)cc1	ZINC000016806342	556644006	/nfs/dbraw/zinc/64/40/06/556644006.db2.gz	GCYUBPBECAKGEB-YDZHTSKRSA-N	0	0	440.525	5.150	50	30		IKEARN
Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1	ZINC000016807380	556644481	/nfs/dbraw/zinc/64/44/81/556644481.db2.gz	GDPKHQIRNMEXRX-OAQYLSRUSA-N	0	0	443.572	5.244	50	30		IKEARN
Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](c2ccc(C)cc2)C2=C(CCCC2=O)N3)cc1	ZINC000016807381	556644489	/nfs/dbraw/zinc/64/44/89/556644489.db2.gz	GDPKHQIRNMEXRX-NRFANRHFSA-N	0	0	443.572	5.244	50	30		IKEARN
CCc1cccc(C)c1/N=C1\N=C(SC)N(c2ccc(Cl)cc2)C12CCCCC2	ZINC000100687068	556649077	/nfs/dbraw/zinc/64/90/77/556649077.db2.gz	PFTDZGBGMCQDIG-ROMGYVFFSA-N	0	0	426.029	7.183	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000016944382	556649522	/nfs/dbraw/zinc/64/95/22/556649522.db2.gz	KRKPXPKHYCRIDG-HSZRJFAPSA-N	0	0	426.516	5.470	50	30		IKEARN
COc1cccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)c1	ZINC000016960304	556651101	/nfs/dbraw/zinc/65/11/01/556651101.db2.gz	MAHQIFUZWWHCIF-HXUWFJFHSA-N	0	0	445.544	5.048	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C	ZINC000017084968	556657086	/nfs/dbraw/zinc/65/70/86/556657086.db2.gz	SMPFGNYZGGTKIK-HZYJKNPPSA-N	0	0	441.984	5.412	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2C)S/C1=N\c1cc(C)ccc1C	ZINC000017084975	556657123	/nfs/dbraw/zinc/65/71/23/556657123.db2.gz	JKBFETATFPMYJS-UOODYVSWSA-N	0	0	441.984	5.412	50	30		IKEARN
CC(C)CCOc1ccccc1/C=N/c1sccc1C(=O)Nc1ccc(Cl)cc1	ZINC000017095213	556658606	/nfs/dbraw/zinc/65/86/06/556658606.db2.gz	VRTFNNFKISUCDX-MFKUBSTISA-N	0	0	426.969	6.829	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1Cl	ZINC000003113849	556659361	/nfs/dbraw/zinc/65/93/61/556659361.db2.gz	OFARFWZYKOJIGL-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003323465	556660779	/nfs/dbraw/zinc/66/07/79/556660779.db2.gz	ZMWSLDLFNXPIOB-UHFFFAOYSA-N	0	0	432.420	7.028	50	30		IKEARN
CC(C)CCOc1ccc(Cl)cc1/C=N/c1sccc1C(=O)NCc1ccco1	ZINC000017097275	556661413	/nfs/dbraw/zinc/66/14/13/556661413.db2.gz	GSOMPKAOAJHNGJ-DHRITJCHSA-N	0	0	430.957	6.100	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)cc3C)c2c1	ZINC000011866452	556666443	/nfs/dbraw/zinc/66/64/43/556666443.db2.gz	HFUPFRNQLFKNMY-UHFFFAOYSA-N	0	0	441.527	6.932	50	30		IKEARN
C=C(C)COc1ccc(-c2onc(C(F)(F)F)c2-c2ccc(OC)c(OC)c2)c(O)c1	ZINC000011866363	556666541	/nfs/dbraw/zinc/66/65/41/556666541.db2.gz	SMFFDQTZIAORDX-UHFFFAOYSA-N	0	0	435.398	5.705	50	30		IKEARN
CCOc1ccc2oc(C)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccs3)C4=O)c2c1	ZINC000011868688	556667513	/nfs/dbraw/zinc/66/75/13/556667513.db2.gz	PDVMNHZCDQBURL-XKZIYDEJSA-N	0	0	446.480	6.037	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)s1	ZINC000017121679	556668297	/nfs/dbraw/zinc/66/82/97/556668297.db2.gz	PDRVXBFJQMIYBD-GOSISDBHSA-N	0	0	443.638	5.479	50	30		IKEARN
CCCCCCCCNC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21	ZINC000100775089	556669332	/nfs/dbraw/zinc/66/93/32/556669332.db2.gz	NWZNBZSAZDRIRO-UHFFFAOYSA-N	0	0	429.568	5.305	50	30		IKEARN
Cc1ccc(NC(=NCc2ccccc2)C(=NCc2ccccc2)Nc2ccc(C)cc2)cc1	ZINC000017154953	556670584	/nfs/dbraw/zinc/67/05/84/556670584.db2.gz	FBNCLDSMUISCDV-UHFFFAOYSA-N	0	0	446.598	6.643	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1	ZINC000017163334	556670774	/nfs/dbraw/zinc/67/07/74/556670774.db2.gz	WIELBMCPGVDHMH-RUZDIDTESA-N	0	0	436.983	6.529	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(Cl)cc1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2	ZINC000017189571	556672257	/nfs/dbraw/zinc/67/22/57/556672257.db2.gz	BPTXLLNOTVPMHX-IBGZPJMESA-N	0	0	449.963	5.692	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2	ZINC000017189614	556672288	/nfs/dbraw/zinc/67/22/88/556672288.db2.gz	HYXHVBPDTHCYGJ-IBGZPJMESA-N	0	0	433.508	5.178	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccc(C(C)(C)C)s2)C2=C(CCCC2=O)N1	ZINC000010013789	556672319	/nfs/dbraw/zinc/67/23/19/556672319.db2.gz	WPLZZPUOMLGFGI-QHCPKHFHSA-N	0	0	438.568	5.791	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2cccs2)C1	ZINC000017242664	556674137	/nfs/dbraw/zinc/67/41/37/556674137.db2.gz	HROHJEXCQGKFLP-LJQANCHMSA-N	0	0	440.569	5.429	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc(F)cc3Cl)nc2c1	ZINC000003113926	556675674	/nfs/dbraw/zinc/67/56/74/556675674.db2.gz	JWLIHQSSWUJKOG-YSURURNPSA-N	0	0	445.675	6.506	50	30		IKEARN
N#Cc1cccnc1Oc1ccc(NS(=O)(=O)c2ccccc2-c2ccccc2)cc1	ZINC000032932340	556675681	/nfs/dbraw/zinc/67/56/81/556675681.db2.gz	ZLMHMGXECIMAPD-UHFFFAOYSA-N	0	0	427.485	5.213	50	30		IKEARN
C[C@@H](C1CC1)N(C(=O)C1CCN(c2ccc(C#N)cn2)CC1)c1cccc(C(F)(F)F)c1	ZINC000032936594	556678737	/nfs/dbraw/zinc/67/87/37/556678737.db2.gz	GTJFFOHTJCDLHS-INIZCTEOSA-N	0	0	442.485	5.020	50	30		IKEARN
O=C1CCCC/C1=C1/SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1	ZINC000018068355	556682826	/nfs/dbraw/zinc/68/28/26/556682826.db2.gz	UQFVZTVHLXGIEC-ZSQRUOPRSA-N	0	0	437.568	7.055	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000018087184	556683656	/nfs/dbraw/zinc/68/36/56/556683656.db2.gz	RATJMDPSPXRKRM-DEOSSOPVSA-N	0	0	430.548	5.246	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1cccc(F)c1	ZINC000018105951	556683913	/nfs/dbraw/zinc/68/39/13/556683913.db2.gz	SCWZXRJKQSEGEU-SANMLTNESA-N	0	0	440.518	6.283	50	30		IKEARN
Cc1nc(NC(N)=NC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc12	ZINC000018106315	556684218	/nfs/dbraw/zinc/68/42/18/556684218.db2.gz	ROXRIQSMIMDHJW-UHFFFAOYSA-N	0	0	426.505	5.088	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000018137674	556684709	/nfs/dbraw/zinc/68/47/09/556684709.db2.gz	FCTUPJZLWWGATE-NFQMXDRXSA-N	0	0	426.491	5.746	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=O)C(C)C)Nc2cc(Cl)ccc2Oc2ccccc2)n1	ZINC000018136795	556684763	/nfs/dbraw/zinc/68/47/63/556684763.db2.gz	KHDQOOOELMMNJI-UHFFFAOYSA-N	0	0	437.931	6.251	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OCc2ccc(F)cc2)c1	ZINC000226762922	556685443	/nfs/dbraw/zinc/68/54/43/556685443.db2.gz	GFHOXAKMFHPFGJ-HHHXNRCGSA-N	0	0	442.534	6.627	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c(C)c1Cl	ZINC000003114343	556685944	/nfs/dbraw/zinc/68/59/44/556685944.db2.gz	RUQNFYSEUAQKPE-CCVNUDIWSA-N	0	0	432.951	7.519	50	30		IKEARN
COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](C)C2)[C@H]1c1ccco1	ZINC000018219497	556687325	/nfs/dbraw/zinc/68/73/25/556687325.db2.gz	WAPNHCQFZGTYRX-PUAOIOHZSA-N	0	0	428.488	5.355	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@H]1c1ccc(F)cc1	ZINC000018250734	556688421	/nfs/dbraw/zinc/68/84/21/556688421.db2.gz	AKKBVQSJPCVNPB-CRICUBBOSA-N	0	0	432.520	5.808	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(=O)OC)cc1	ZINC000018254425	556688447	/nfs/dbraw/zinc/68/84/47/556688447.db2.gz	OKIUYZMDIWMXOC-XMMPIXPASA-N	0	0	432.520	5.026	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(=O)C2[C@@H]1c1ccc(F)cc1	ZINC000018250732	556688461	/nfs/dbraw/zinc/68/84/61/556688461.db2.gz	AKKBVQSJPCVNPB-NSYGIPOTSA-N	0	0	432.520	5.808	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018284767	556688957	/nfs/dbraw/zinc/68/89/57/556688957.db2.gz	WWSSKWKAQOULIF-MUUNZHRXSA-N	0	0	438.571	7.318	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000018324215	556689602	/nfs/dbraw/zinc/68/96/02/556689602.db2.gz	MMJIPLSDWUQPEK-MHZLTWQESA-N	0	0	445.607	6.086	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccccc3)C2)cc1	ZINC000018324463	556689631	/nfs/dbraw/zinc/68/96/31/556689631.db2.gz	CHAKSZGALGQIOW-LYZGTLIUSA-N	0	0	438.527	5.616	50	30		IKEARN
CC(C)(C)c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O	ZINC000018324071	556689663	/nfs/dbraw/zinc/68/96/63/556689663.db2.gz	HVSHJMSHWGEBHG-RUZDIDTESA-N	0	0	446.635	7.209	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000018324507	556689729	/nfs/dbraw/zinc/68/97/29/556689729.db2.gz	HEQSNBCMHSCOIC-DEOSSOPVSA-N	0	0	436.552	5.551	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2	ZINC000033026461	556703452	/nfs/dbraw/zinc/70/34/52/556703452.db2.gz	CEDOFBNGFVTUKT-GTJPDFRWSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3sc4c(c3C#N)CCCCC4)c12	ZINC000013642183	556705439	/nfs/dbraw/zinc/70/54/39/556705439.db2.gz	UQQHBSRCMXZVFN-UHFFFAOYSA-N	0	0	434.546	5.714	50	30		IKEARN
N#Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1	ZINC000072328621	556726167	/nfs/dbraw/zinc/72/61/67/556726167.db2.gz	PIPHGGVWHBEKPJ-UHFFFAOYSA-N	0	0	442.881	5.112	50	30		IKEARN
Cc1ccc([C@@H]2c3ccccc3OC(c3cccs3)=C2/C=C\C(=O)c2ccccc2)cc1	ZINC000033924529	556733047	/nfs/dbraw/zinc/73/30/47/556733047.db2.gz	SWUMXSRWWQVLQO-SFPUGHMZSA-N	0	0	434.560	7.431	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12	ZINC000013813669	556744134	/nfs/dbraw/zinc/74/41/34/556744134.db2.gz	CKVDPHQYKOMKDF-QKKBWIMNSA-N	0	0	449.436	5.194	50	30		IKEARN
Cc1cccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)c1	ZINC000013476259	556748531	/nfs/dbraw/zinc/74/85/31/556748531.db2.gz	JYYFHGHXLBILGC-SFHVURJKSA-N	0	0	442.799	5.345	50	30		IKEARN
CCCCCOc1ccc(Cl)cc1C(=O)Nc1nc2nc3ccccc3n2cc1C#N	ZINC000005318697	556763079	/nfs/dbraw/zinc/76/30/79/556763079.db2.gz	LAABJFUNHVYQRQ-UHFFFAOYSA-N	0	0	433.899	5.229	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535388	556793881	/nfs/dbraw/zinc/79/38/81/556793881.db2.gz	IENQBFXOQIWOAP-QHCPKHFHSA-N	0	0	435.951	5.687	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000019535994	556794042	/nfs/dbraw/zinc/79/40/42/556794042.db2.gz	CYJHZDKJBSGMPD-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
CCCCCCCCn1c(SCc2c(C)noc2C)nnc1-c1ccc(Cl)cc1	ZINC000003329850	556812522	/nfs/dbraw/zinc/81/25/22/556812522.db2.gz	XAVVHWLCMJCMOD-UHFFFAOYSA-N	0	0	433.021	6.856	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(CC)cc2c1=O	ZINC000003526072	556817074	/nfs/dbraw/zinc/81/70/74/556817074.db2.gz	ONMQPSWEPLGENZ-UHFFFAOYSA-N	0	0	427.595	5.061	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000034379249	556825501	/nfs/dbraw/zinc/82/55/01/556825501.db2.gz	NVHYTASQZUFVJY-YGAJUMRDSA-N	0	0	444.398	5.392	50	30		IKEARN
CCN(CC)c1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1	ZINC000006016383	556829188	/nfs/dbraw/zinc/82/91/88/556829188.db2.gz	KEQKMPLSTQWNAD-JFLMPSFJSA-N	0	0	437.374	7.134	50	30		IKEARN
FC(F)(F)c1cnc(Oc2ccc(/C=N/OCc3ccccc3Cl)cc2)c(Cl)c1	ZINC000022996425	556833800	/nfs/dbraw/zinc/83/38/00/556833800.db2.gz	KDMYACSDZGPYCS-YPXUMCKCSA-N	0	0	441.236	6.750	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019634639	556834403	/nfs/dbraw/zinc/83/44/03/556834403.db2.gz	USDMBBGSNOGXPP-CUNXSJBXSA-N	0	0	441.571	5.924	50	30		IKEARN
Cc1sc(NC(=O)CCCCCCC(=O)Nc2sc(C)c(C)c2C#N)c(C#N)c1C	ZINC000096602694	556838300	/nfs/dbraw/zinc/83/83/00/556838300.db2.gz	NMXJNJZMEKAGPT-UHFFFAOYSA-N	0	0	442.610	5.704	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000019643786	556838593	/nfs/dbraw/zinc/83/85/93/556838593.db2.gz	LYBMJVAFISFUSN-FNZWTVRRSA-N	0	0	445.559	5.256	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSc1nccc(N(C)C)c1C#N	ZINC000097949616	556840616	/nfs/dbraw/zinc/84/06/16/556840616.db2.gz	UZJOFNHQCBELGG-UHFFFAOYSA-N	0	0	431.734	8.373	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019646929	556840718	/nfs/dbraw/zinc/84/07/18/556840718.db2.gz	JSUGGEPXMUWXJH-ZUOKHONESA-N	0	0	448.371	5.590	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1	ZINC000096794653	556845685	/nfs/dbraw/zinc/84/56/85/556845685.db2.gz	MLFHYBQTDSFKGX-NTMALXAHSA-N	0	0	438.321	5.442	50	30		IKEARN
CCCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3	ZINC000097951613	556848603	/nfs/dbraw/zinc/84/86/03/556848603.db2.gz	SOEIEQWTTAAVFV-UHFFFAOYSA-N	0	0	443.682	7.277	50	30		IKEARN
CCCCCCCCCCCC[NH2+][C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O	ZINC000097951400	556848619	/nfs/dbraw/zinc/84/86/19/556848619.db2.gz	ZJDBJMOIQDHCPR-FQEVSTJZSA-N	0	0	437.422	5.592	50	30		IKEARN
CCCCCCCCSc1ncnc2c3c4c(c(CC(C)C)nc3sc21)CCC4	ZINC000097951940	556848810	/nfs/dbraw/zinc/84/88/10/556848810.db2.gz	GQBNMSOQTDPKHG-UHFFFAOYSA-N	0	0	427.683	7.379	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000097954201	556850167	/nfs/dbraw/zinc/85/01/67/556850167.db2.gz	JAOWTFRJFOYGJG-JOCHJYFZSA-N	0	0	447.623	6.706	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(C)c2)C1	ZINC000097954159	556850173	/nfs/dbraw/zinc/85/01/73/556850173.db2.gz	XUOVDNGQFJTUMM-HSZRJFAPSA-N	0	0	431.624	7.006	50	30		IKEARN
CCCCCCCCCNC(=O)c1sc2nc3c(cc2c1NC(C)=O)COC(C)(C)C3	ZINC000097953968	556850212	/nfs/dbraw/zinc/85/02/12/556850212.db2.gz	PEKFHBORDFFJKD-UHFFFAOYSA-N	0	0	445.629	5.586	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21	ZINC000097953929	556850236	/nfs/dbraw/zinc/85/02/36/556850236.db2.gz	DTDLDPIBJMXCEJ-UHFFFAOYSA-N	0	0	445.567	5.255	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2Cc2ccc(F)cc2)c1=O	ZINC000097954760	556850259	/nfs/dbraw/zinc/85/02/59/556850259.db2.gz	BLHZPASSVJSCEE-UHFFFAOYSA-N	0	0	443.526	5.452	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(OC)cc4)c3C)C2=O)c2ccccc21	ZINC000008992552	556853326	/nfs/dbraw/zinc/85/33/26/556853326.db2.gz	IXJXRKKPKRRWBK-CVKSISIWSA-N	0	0	439.511	6.173	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1	ZINC000033097079	556858279	/nfs/dbraw/zinc/85/82/79/556858279.db2.gz	ZMUWKRLESJFUPP-ZMDPPLQJSA-N	0	0	447.435	6.985	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C	ZINC000019761827	556905642	/nfs/dbraw/zinc/90/56/42/556905642.db2.gz	DFPGCFXBBZYONE-CLOONOSVSA-N	0	0	431.532	5.008	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019762441	556906845	/nfs/dbraw/zinc/90/68/45/556906845.db2.gz	YWGBWEAQQLRIII-CUBQBAPOSA-N	0	0	449.550	5.792	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000019762471	556906861	/nfs/dbraw/zinc/90/68/61/556906861.db2.gz	ZWMDYDWSLZDAAN-NBGIEHNGSA-N	0	0	431.532	5.008	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019762435	556906967	/nfs/dbraw/zinc/90/69/67/556906967.db2.gz	YWGBWEAQQLRIII-YWEHKCAJSA-N	0	0	449.550	5.792	50	30		IKEARN
COc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1	ZINC000019790555	556914888	/nfs/dbraw/zinc/91/48/88/556914888.db2.gz	RHUYASIFBKPRFF-MTDXEUNCSA-N	0	0	449.982	5.079	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000019798090	556916725	/nfs/dbraw/zinc/91/67/25/556916725.db2.gz	AHEQYZLQQKFCNG-NRFANRHFSA-N	0	0	434.363	5.837	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019798394	556916756	/nfs/dbraw/zinc/91/67/56/556916756.db2.gz	CBUBAZFLWZEAAB-DEOSSOPVSA-N	0	0	449.978	5.730	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019827750	556926280	/nfs/dbraw/zinc/92/62/80/556926280.db2.gz	RCFHNUKWLMEQBX-DEOSSOPVSA-N	0	0	433.523	5.216	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848696	556930417	/nfs/dbraw/zinc/93/04/17/556930417.db2.gz	VWRLBXFGNNQUOS-DEOSSOPVSA-N	0	0	449.978	5.730	50	30		IKEARN
CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc(C#N)cc4F)ccc3Cl)nc2c1	ZINC000013946088	556974356	/nfs/dbraw/zinc/97/43/56/556974356.db2.gz	MXYWZBHCXXSWIZ-UHFFFAOYSA-N	0	0	433.870	6.535	50	30		IKEARN
CCCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccccc1	ZINC000097984114	556999150	/nfs/dbraw/zinc/99/91/50/556999150.db2.gz	OKFNIQJJKNNDNR-QFIPXVFZSA-N	0	0	437.565	5.408	50	30		IKEARN
O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc(Cl)cc2)C1	ZINC000020224096	557000622	/nfs/dbraw/zinc/00/06/22/557000622.db2.gz	SDOCCHAPCBQVFS-KRWDZBQOSA-N	0	0	439.930	6.212	50	30		IKEARN
O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@H](c2ccc3c(c2)OCO3)C1	ZINC000020224100	557001013	/nfs/dbraw/zinc/00/10/13/557001013.db2.gz	VACBLZYETQTWCE-KRWDZBQOSA-N	0	0	449.494	5.288	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3)C(=O)O2)cc1	ZINC000097997722	557004282	/nfs/dbraw/zinc/00/42/82/557004282.db2.gz	NNULKDGWZUHJGQ-CLCOLTQESA-N	0	0	439.983	7.204	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000097998497	557004309	/nfs/dbraw/zinc/00/43/09/557004309.db2.gz	ISPJYBAGCGINTM-UHFFFAOYSA-N	0	0	434.515	5.812	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OCC)C(=O)O2)cc1	ZINC000097997733	557004380	/nfs/dbraw/zinc/00/43/80/557004380.db2.gz	OXJBWHBJWNQFBL-DAFNUICNSA-N	0	0	449.591	6.949	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C\c3ccc(OC(F)F)cc3)sc2C1	ZINC000013959826	557009468	/nfs/dbraw/zinc/00/94/68/557009468.db2.gz	YSDXAPCZFLBDEP-UJNBGNEJSA-N	0	0	430.520	6.024	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2cccc(Br)c2)cc1	ZINC000098001409	557012329	/nfs/dbraw/zinc/01/23/29/557012329.db2.gz	OSFPJVKJLVNUCE-UHFFFAOYSA-N	0	0	445.401	6.781	50	30	biogenic	IKEARN
CCCCCCCCCOC(=O)NCCCCNC(=O)OCCCCCCCCC	ZINC000098001315	557012353	/nfs/dbraw/zinc/01/23/53/557012353.db2.gz	UTRZIAUVVUYPPW-UHFFFAOYSA-N	0	0	428.658	6.720	50	30		IKEARN
Cc1ccccc1NC(=NC(=O)c1ccc(F)c(Cl)c1)NCCc1c[nH]c2ccccc12	ZINC000032943207	557017595	/nfs/dbraw/zinc/01/75/95/557017595.db2.gz	BAEMNWRXTRYYPV-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)c1	ZINC000032943361	557018197	/nfs/dbraw/zinc/01/81/97/557018197.db2.gz	PVASWWLCJLBAEV-UHFFFAOYSA-N	0	0	438.575	6.040	50	30		IKEARN
Cc1ccc(C)c(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943325	557018391	/nfs/dbraw/zinc/01/83/91/557018391.db2.gz	MZKTYZDJNYWPOZ-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)cc1	ZINC000032943318	557018562	/nfs/dbraw/zinc/01/85/62/557018562.db2.gz	NTWGTBBYZJDCMO-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc54)cc23)c1	ZINC000046005337	557019082	/nfs/dbraw/zinc/01/90/82/557019082.db2.gz	GYGKPAFUNPZZTB-UHFFFAOYSA-N	0	0	435.512	5.152	50	30		IKEARN
O=C(CSc1ccc(/N=C/c2ccccc2O)cc1)Nc1ccc(Cl)c(Cl)c1	ZINC000100457306	557026878	/nfs/dbraw/zinc/02/68/78/557026878.db2.gz	YRLPMOBYRKLMQQ-WYMPLXKRSA-N	0	0	431.344	6.180	50	30		IKEARN
C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccccc1)C(=O)CCCCCCC	ZINC000098019806	557027781	/nfs/dbraw/zinc/02/77/81/557027781.db2.gz	MWWOWFWEPGDRHG-UHFFFAOYSA-N	0	0	440.653	5.960	50	30		IKEARN
CN(CCN(C)N=Cc1c(Cl)cccc1Cl)N=Cc1c(Cl)cccc1Cl	ZINC000254866147	557028727	/nfs/dbraw/zinc/02/87/27/557028727.db2.gz	AIQURGZGERKJGO-UHFFFAOYSA-N	0	0	432.182	5.532	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1	ZINC000098021358	557029097	/nfs/dbraw/zinc/02/90/97/557029097.db2.gz	MUPAZVCNIQMCQQ-AREMUKBSSA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccccc2OCC)cc1	ZINC000098021408	557029138	/nfs/dbraw/zinc/02/91/38/557029138.db2.gz	YCTKIQFCNKCZBM-VWLOTQADSA-N	0	0	440.609	6.163	50	30		IKEARN
CCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2OCC)cc1	ZINC000098021407	557029220	/nfs/dbraw/zinc/02/92/20/557029220.db2.gz	YCTKIQFCNKCZBM-RUZDIDTESA-N	0	0	440.609	6.163	50	30		IKEARN
CCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2cc(C)ccc2C)CC1	ZINC000098021512	557029379	/nfs/dbraw/zinc/02/93/79/557029379.db2.gz	HEZCYOXCUMAFGO-UHFFFAOYSA-N	0	0	436.644	5.310	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2cccc(C)c2)c1	ZINC000098021572	557029462	/nfs/dbraw/zinc/02/94/62/557029462.db2.gz	GILYKPZRGKMCBT-AREMUKBSSA-N	0	0	438.637	6.853	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3cc(C)ccc3C)CC2)c1	ZINC000032946323	557031219	/nfs/dbraw/zinc/03/12/19/557031219.db2.gz	ISZJOMWBVCGNCZ-UHFFFAOYSA-N	0	0	426.564	5.042	50	30		IKEARN
CCCCCCCCCCCCCCCCCn1c(C)nc(=O)c(-c2ccccc2)c1C	ZINC000098045177	557046018	/nfs/dbraw/zinc/04/60/18/557046018.db2.gz	QIWDQQQSGBKNHJ-UHFFFAOYSA-N	0	0	438.700	8.399	50	30		IKEARN
CCCCCCCc1ccc(-c2ccc(C3CCC(CCCCCCC)CC3)cc2)nc1	ZINC000098044967	557046149	/nfs/dbraw/zinc/04/61/49/557046149.db2.gz	HIGBVBHDIZLAHP-UHFFFAOYSA-N	0	0	433.724	9.896	50	30		IKEARN
CCN1c2ccc3ccccc3c2C(C)(C)/C1=C\C(=O)c1ccccc1Oc1ccccc1	ZINC000006147167	557046539	/nfs/dbraw/zinc/04/65/39/557046539.db2.gz	KSTGRXNWUITMJT-VFCFBJKWSA-N	0	0	433.551	7.516	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2-c2ccccc2S1(=O)=O	ZINC000033271921	557050394	/nfs/dbraw/zinc/05/03/94/557050394.db2.gz	GUSBLHDVVVPAOJ-UHFFFAOYSA-N	0	0	438.936	5.262	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(N2CCOCC2)c1	ZINC000048303602	557058842	/nfs/dbraw/zinc/05/88/42/557058842.db2.gz	MLFHYBQTDSFKGX-CSKARUKUSA-N	0	0	438.321	5.442	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000023199938	557082968	/nfs/dbraw/zinc/08/29/68/557082968.db2.gz	ZSBOCSJLGCTJOY-HKWRFOASSA-N	0	0	429.472	5.667	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC	ZINC000033321068	557105715	/nfs/dbraw/zinc/10/57/15/557105715.db2.gz	HNDMICIJUBJPRI-KOSHJBKYSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321128	557105965	/nfs/dbraw/zinc/10/59/65/557105965.db2.gz	IPAYWZFNFRISSR-OSPHWJPCSA-N	0	0	446.503	5.054	50	30		IKEARN
O=C1C=C(Cl)[C@@H]2C=C(Nc3ccccc3)c3c(O)cc(Cl)c4cc(Cl)c1c2c43	ZINC000113498482	557113473	/nfs/dbraw/zinc/11/34/73/557113473.db2.gz	WCNPWOWCHXMXAQ-LBPRGKRZSA-N	0	0	428.702	6.721	50	30		IKEARN
CC(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1	ZINC000098086883	557123024	/nfs/dbraw/zinc/12/30/24/557123024.db2.gz	ZGPBEJZBICURJZ-DHRITJCHSA-N	0	0	435.321	6.837	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2cccc(C(F)(F)F)c2)NC1=O	ZINC000033348689	557123241	/nfs/dbraw/zinc/12/32/41/557123241.db2.gz	VNVBIXCRPPKJLE-DEDYPNTBSA-N	0	0	442.462	6.149	50	30		IKEARN
CCOc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(Cl)c2)NC1=O	ZINC000033348159	557123271	/nfs/dbraw/zinc/12/32/71/557123271.db2.gz	GIXPQIOBZPHESM-CXUHLZMHSA-N	0	0	437.746	5.393	50	30		IKEARN
O=C(Oc1c2ccccc2c2onc3c2c1C(=O)C=C3Oc1ccccc1)c1ccccc1	ZINC000000652138	557129393	/nfs/dbraw/zinc/12/93/93/557129393.db2.gz	FZSCSCSGLCMGDI-UHFFFAOYSA-N	0	0	433.419	5.816	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1ccc(Br)o1	ZINC000000657544	557129823	/nfs/dbraw/zinc/12/98/23/557129823.db2.gz	FYCAVEZZMHCLHC-UHFFFAOYSA-N	0	0	442.121	6.201	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)nc3)n2)cc1	ZINC000000664154	557131432	/nfs/dbraw/zinc/13/14/32/557131432.db2.gz	IJOMLHPFSDBLTA-UHFFFAOYSA-N	0	0	435.858	5.988	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2c(c1C(F)(F)F)CCC2	ZINC000000663985	557131440	/nfs/dbraw/zinc/13/14/40/557131440.db2.gz	IRYFQOKCYOZVCY-UHFFFAOYSA-N	0	0	446.281	5.498	50	30		IKEARN
C=CCn1c(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)nnc1C1CC1	ZINC000002739450	557132207	/nfs/dbraw/zinc/13/22/07/557132207.db2.gz	QXNQVNLVJDDAON-UHFFFAOYSA-N	0	0	434.952	5.655	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C	ZINC000000671286	557133162	/nfs/dbraw/zinc/13/31/62/557133162.db2.gz	JBQFBMJBQHRNIX-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
CC[C@H](C)Oc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000000673080	557133434	/nfs/dbraw/zinc/13/34/34/557133434.db2.gz	PNXJNSIYRDXNJQ-QLXKLKPCSA-N	0	0	432.564	6.027	50	30		IKEARN
O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000033367456	557136281	/nfs/dbraw/zinc/13/62/81/557136281.db2.gz	BSOCMNASONXDMO-YVADOFBFSA-N	0	0	449.373	6.253	50	30		IKEARN
Clc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(Cl)cc4)cc3)cc2)cc1	ZINC000003140694	557136687	/nfs/dbraw/zinc/13/66/87/557136687.db2.gz	ISALVHOEWQZBNC-YAGSLNJISA-N	0	0	429.350	8.162	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)n1	ZINC000000706143	557139920	/nfs/dbraw/zinc/13/99/20/557139920.db2.gz	PGJDRBDQAMJEIZ-UHFFFAOYSA-N	0	0	434.468	5.135	50	30		IKEARN
C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(F)cc3)c2c1=O	ZINC000000706780	557140241	/nfs/dbraw/zinc/14/02/41/557140241.db2.gz	RIDKIQWFYZUIMD-UHFFFAOYSA-N	0	0	427.526	5.347	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@H]1c1ccc(F)cc1	ZINC000000709279	557140645	/nfs/dbraw/zinc/14/06/45/557140645.db2.gz	GERFIDXGUNWYFX-QFIPXVFZSA-N	0	0	435.882	5.300	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC	ZINC000003146699	557144250	/nfs/dbraw/zinc/14/42/50/557144250.db2.gz	GHDFLDDQEXFYLU-HSZRJFAPSA-N	0	0	441.568	5.041	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1	ZINC000003146380	557144352	/nfs/dbraw/zinc/14/43/52/557144352.db2.gz	BSKNHUYOLRAHTQ-DEOSSOPVSA-N	0	0	439.596	5.813	50	30		IKEARN
N#Cc1c(CSc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)cn2ccccc12	ZINC000014728625	557144923	/nfs/dbraw/zinc/14/49/23/557144923.db2.gz	ROQAQRBQLTUONG-UHFFFAOYSA-N	0	0	443.482	5.629	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O	ZINC000000716883	557148102	/nfs/dbraw/zinc/14/81/02/557148102.db2.gz	OQSCTCYGPBIPDU-RUZDIDTESA-N	0	0	429.516	5.872	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@@H](c2ccc(OCc4ccccc4)cc2)C2=C(CCCC2=O)N3)n1	ZINC000000718228	557148513	/nfs/dbraw/zinc/14/85/13/557148513.db2.gz	CYJCERZENOXEDI-MUUNZHRXSA-N	0	0	446.550	6.687	50	30		IKEARN
COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000717357	557148523	/nfs/dbraw/zinc/14/85/23/557148523.db2.gz	WODUYBBJFUQHIG-DEOSSOPVSA-N	0	0	442.515	5.369	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1c[nH]nc1-c1ccc(F)cc1	ZINC000000718235	557148829	/nfs/dbraw/zinc/14/88/29/557148829.db2.gz	PDHZCNLVKYEUQO-XMMPIXPASA-N	0	0	438.506	5.965	50	30		IKEARN
N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccccc5)cc4C3=O)cc2)cc1	ZINC000000725807	557151465	/nfs/dbraw/zinc/15/14/65/557151465.db2.gz	PXJNYHVYFWUKCL-UHFFFAOYSA-N	0	0	444.446	5.382	50	30		IKEARN
FC(F)(F)Oc1ccc(-c2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)no2)cc1	ZINC000095704595	557159959	/nfs/dbraw/zinc/15/99/59/557159959.db2.gz	SOLNGNSEGHBMIT-UHFFFAOYSA-N	0	0	442.237	6.340	50	30		IKEARN
C=CCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000095708060	557160334	/nfs/dbraw/zinc/16/03/34/557160334.db2.gz	DPOFHGRLDJWXKJ-UHFFFAOYSA-N	0	0	440.146	5.563	50	30		IKEARN
N#Cc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1C#N	ZINC000000754203	557168004	/nfs/dbraw/zinc/16/80/04/557168004.db2.gz	XVRXKHSZIXZIIP-UHFFFAOYSA-N	0	0	442.478	5.602	50	30		IKEARN
C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000000755587	557170049	/nfs/dbraw/zinc/17/00/49/557170049.db2.gz	ASKWCVANZBJACO-SIKLNZKXSA-N	0	0	443.410	6.037	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccccc1C	ZINC000009306029	557186026	/nfs/dbraw/zinc/18/60/26/557186026.db2.gz	WMXCHGONVWEONZ-UHFFFAOYSA-N	0	0	447.589	5.294	50	30		IKEARN
CC(C)(C)c1ccc(S(=O)(=O)N=C2C=C(Nc3ccccc3)C(=O)c3ccccc32)cc1	ZINC000100822164	557188547	/nfs/dbraw/zinc/18/85/47/557188547.db2.gz	PFTSWONMVBFREO-NFFVHWSESA-N	0	0	444.556	5.354	50	30		IKEARN
O=C1c2c(ccc(Br)c2Cl)N/C1=C\NCc1ccc(Cl)cc1Cl	ZINC000100833044	557190698	/nfs/dbraw/zinc/19/06/98/557190698.db2.gz	KZROVECMBCWBLY-QPEQYQDCSA-N	0	0	432.532	5.649	50	30		IKEARN
CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1	ZINC000100864086	557194777	/nfs/dbraw/zinc/19/47/77/557194777.db2.gz	XNUMMXZDRSMRNZ-QZPVIKGESA-N	0	0	435.608	7.291	50	30		IKEARN
C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(-c2ccccc2)cc1	ZINC000100874297	557196806	/nfs/dbraw/zinc/19/68/06/557196806.db2.gz	QCAAHVDSQUHHEH-BZZOAKBMSA-N	0	0	449.373	6.059	50	30		IKEARN
C=CCn1c2ccc(Br)cc2s/c1=N\C(=O)c1cc(Cl)cc(Cl)c1	ZINC000100874307	557196808	/nfs/dbraw/zinc/19/68/08/557196808.db2.gz	FGEDYHRXKLVGER-FXBPSFAMSA-N	0	0	442.165	5.699	50	30		IKEARN
CCCCCCCCSC1=Nc2cc(OC)c(OC)cc2C2=NC(=O)[C@@H](C(C)C)N21	ZINC000100925081	557202391	/nfs/dbraw/zinc/20/23/91/557202391.db2.gz	ZZYUFMXUSJRQFB-HXUWFJFHSA-N	0	0	431.602	5.412	50	30		IKEARN
COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1OC	ZINC000096562024	557202945	/nfs/dbraw/zinc/20/29/45/557202945.db2.gz	TZVPFOYIXUBUGC-UHFFFAOYSA-N	0	0	428.525	5.190	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	ZINC000000796173	557209035	/nfs/dbraw/zinc/20/90/35/557209035.db2.gz	AVVOHTHJKNCQCN-UHFFFAOYSA-N	0	0	447.506	5.114	50	30		IKEARN
CCOc1ccc(C(C)N=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)cc1	ZINC000025559714	557214445	/nfs/dbraw/zinc/21/44/45/557214445.db2.gz	DAYFHCCTDUYHQJ-CTOFZRSPSA-N	0	0	436.625	6.467	50	30		IKEARN
CCCCCCCCOc1cccc(/C=N/n2cnc3c4ccc(OC)cc4[nH]c3c2=O)c1	ZINC000101033652	557214845	/nfs/dbraw/zinc/21/48/45/557214845.db2.gz	MBDGIKFMAKBYHB-OGLMXYFKSA-N	0	0	446.551	5.508	50	30		IKEARN
CCCCCCCCCCOc1ccc(-c2ncc(OCCCCCCCC)cn2)cc1	ZINC000101039375	557215472	/nfs/dbraw/zinc/21/54/72/557215472.db2.gz	XYGUNTNTTDQAGL-UHFFFAOYSA-N	0	0	440.672	8.402	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)S/C1=N/c1ccc(OCC)cc1	ZINC000097464881	557218839	/nfs/dbraw/zinc/21/88/39/557218839.db2.gz	ZDCKDNINEZLETI-BRNMAAFJSA-N	0	0	426.538	5.204	50	30		IKEARN
CN1c2cc(Cl)ccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000100072803	557227947	/nfs/dbraw/zinc/22/79/47/557227947.db2.gz	LEGFWWCGZGFWME-JXAXBCJLSA-N	0	0	449.988	6.519	50	30		IKEARN
CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1cc(OC)ccc1OC)C2	ZINC000097939934	557230104	/nfs/dbraw/zinc/23/01/04/557230104.db2.gz	HLSMWMDNSRJBQE-QGZVFWFLSA-N	0	0	427.541	5.380	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N[C@H](Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000097950796	557230605	/nfs/dbraw/zinc/23/06/05/557230605.db2.gz	XZTKKQSXYVCNGS-NRFANRHFSA-N	0	0	449.894	7.612	50	30		IKEARN
CCCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1)C(Cl)(Cl)Cl	ZINC000097950707	557230676	/nfs/dbraw/zinc/23/06/76/557230676.db2.gz	ALBQGYWPKWMBCT-MRXNPFEDSA-N	0	0	438.852	5.454	50	30		IKEARN
COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)c1	ZINC000097964554	557230983	/nfs/dbraw/zinc/23/09/83/557230983.db2.gz	NAYHZYOTJGYWNN-QFIPXVFZSA-N	0	0	446.576	5.237	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc(NC(=O)CC(=O)c2ccccc2OC)cc1	ZINC000097997854	557231925	/nfs/dbraw/zinc/23/19/25/557231925.db2.gz	KLUHVPXMEHXVBO-UHFFFAOYSA-N	0	0	425.525	5.424	50	30		IKEARN
O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1	ZINC000098052696	557232515	/nfs/dbraw/zinc/23/25/15/557232515.db2.gz	DUXWIYXHHGNUJU-UHFFFAOYSA-N	0	0	431.254	5.270	50	30	in-vitro	IKEARN
FN(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100028184	557237581	/nfs/dbraw/zinc/23/75/81/557237581.db2.gz	LXHMBTBAXXSYNE-UHFFFAOYSA-N	0	0	435.077	5.432	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000100035591	557238331	/nfs/dbraw/zinc/23/83/31/557238331.db2.gz	BJKOPLOZQDQIOT-GDNZHBKUSA-N	0	0	440.568	5.975	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2ccccc2OCCCC)cc1	ZINC000100034576	557238363	/nfs/dbraw/zinc/23/83/63/557238363.db2.gz	RPUWRNHBPOBOLY-UHFFFAOYSA-N	0	0	440.628	8.029	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000100055875	557238948	/nfs/dbraw/zinc/23/89/48/557238948.db2.gz	ZPDZJAANZQTWKI-ADGFTTEDSA-N	0	0	435.346	6.258	50	30		IKEARN
CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccccc3)c2C#N)cc1	ZINC000018137736	557242582	/nfs/dbraw/zinc/24/25/82/557242582.db2.gz	YLVQJVLMIZPQBO-UHFFFAOYSA-N	0	0	426.545	5.392	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000018188716	557246394	/nfs/dbraw/zinc/24/63/94/557246394.db2.gz	GGXZFQFEPIKPTM-WTYVLRPYSA-N	0	0	440.518	6.136	50	30		IKEARN
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000018197553	557247198	/nfs/dbraw/zinc/24/71/98/557247198.db2.gz	MQOONJYZPNMPEZ-PUAOIOHZSA-N	0	0	447.556	5.732	50	30		IKEARN
COc1ccc([C@@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018197556	557247267	/nfs/dbraw/zinc/24/72/67/557247267.db2.gz	MQOONJYZPNMPEZ-IVCQMTBJSA-N	0	0	447.556	5.732	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2	ZINC000018196542	557248312	/nfs/dbraw/zinc/24/83/12/557248312.db2.gz	TUENUWCCBNPJGB-QFIPXVFZSA-N	0	0	439.342	6.078	50	30		IKEARN
CC/N=C1\S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC	ZINC000100216809	557248381	/nfs/dbraw/zinc/24/83/81/557248381.db2.gz	VZESTVTXFIMOOI-GYOQDEGTSA-N	0	0	438.622	5.218	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196474	557248446	/nfs/dbraw/zinc/24/84/46/557248446.db2.gz	BBUZLNIRBWJHPO-QFYYESIMSA-N	0	0	431.439	5.154	50	30		IKEARN
Cc1ccc2nc(C3=CN(CC(=O)c4ccccc4)c4ccc(C)cc4[C@H]3C#N)ccc2c1	ZINC000018199871	557249039	/nfs/dbraw/zinc/24/90/39/557249039.db2.gz	UMNXKPDLZPYJDY-XMMPIXPASA-N	0	0	429.523	6.203	50	30		IKEARN
CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N/c1ccccc1	ZINC000100233603	557250559	/nfs/dbraw/zinc/25/05/59/557250559.db2.gz	XMTUERJUKQHQAP-RWBSCQHUSA-N	0	0	445.588	6.117	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@H]3c2ccccc2Cl)cc1OC	ZINC000018199319	557251205	/nfs/dbraw/zinc/25/12/05/557251205.db2.gz	FGWIEEWJNLXGFK-IQMFZBJNSA-N	0	0	449.938	5.347	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2ccc(OCC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000027017201	557253989	/nfs/dbraw/zinc/25/39/89/557253989.db2.gz	CNBPTNLKEVJVCM-PGMHBOJBSA-N	0	0	443.499	6.057	50	30		IKEARN
COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1	ZINC000018251543	557254390	/nfs/dbraw/zinc/25/43/90/557254390.db2.gz	BWOUVQLTWXPQMX-WOARFCOISA-N	0	0	443.528	5.459	50	30		IKEARN
CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1	ZINC000100284276	557256509	/nfs/dbraw/zinc/25/65/09/557256509.db2.gz	HKGNEWRMTNSEIB-UHFFFAOYSA-N	0	0	447.369	6.228	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(=O)NCCN2Cc3ccccc3C2=O)cc1	ZINC000100286374	557256512	/nfs/dbraw/zinc/25/65/12/557256512.db2.gz	ALYYZVRSZQAOBM-UHFFFAOYSA-N	0	0	436.596	5.592	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCSc2ccccc2C)cc1	ZINC000100283777	557256529	/nfs/dbraw/zinc/25/65/29/557256529.db2.gz	XPKWNPAKAFBXPE-UHFFFAOYSA-N	0	0	442.669	7.428	50	30		IKEARN
CCOC(=O)c1cc2c(cc1C)-c1ccccc1/C2=N/c1cccc2c1Cc1ccccc1-2	ZINC000101148905	557262359	/nfs/dbraw/zinc/26/23/59/557262359.db2.gz	XUWOOBCIKPVOAK-YCNYHXFESA-N	0	0	429.519	6.892	50	30		IKEARN
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccnc4)nc3c2)c1O	ZINC000100502194	557262638	/nfs/dbraw/zinc/26/26/38/557262638.db2.gz	VPDUYAZYMYLVJF-WYMPLXKRSA-N	0	0	438.281	5.507	50	30		IKEARN
CCOc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O	ZINC000100503092	557262653	/nfs/dbraw/zinc/26/26/53/557262653.db2.gz	YMCPRNQLKXTWCB-ZMOGYAJESA-N	0	0	437.293	6.112	50	30		IKEARN
CCc1ccc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1	ZINC000100503690	557262784	/nfs/dbraw/zinc/26/27/84/557262784.db2.gz	QJTWQQJSAYULSE-JFLMPSFJSA-N	0	0	437.455	6.575	50	30		IKEARN
C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N/c1ccc(Cl)cc1	ZINC000100529864	557263621	/nfs/dbraw/zinc/26/36/21/557263621.db2.gz	RPXZXDKQLMGGMG-AONURPCGSA-N	0	0	448.400	6.154	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1	ZINC000100539164	557264020	/nfs/dbraw/zinc/26/40/20/557264020.db2.gz	IEXXONXICYJMNB-AOUVVKEYSA-N	0	0	429.545	5.570	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)Nc2ccccc2F)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000027546970	557264785	/nfs/dbraw/zinc/26/47/85/557264785.db2.gz	NCOITTTVHHXZIC-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
CCCCCCCCCCCCCCCCCCOCCOCCOCCOCCO	ZINC000100655382	557267553	/nfs/dbraw/zinc/26/75/53/557267553.db2.gz	HEZHDXIJQPSERX-UHFFFAOYSA-N	0	0	446.713	6.307	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1	ZINC000101285103	557267588	/nfs/dbraw/zinc/26/75/88/557267588.db2.gz	NCCJNVWWEFQHKA-HSZRJFAPSA-N	0	0	437.971	6.492	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000101285176	557267801	/nfs/dbraw/zinc/26/78/01/557267801.db2.gz	GGPNJRMHXXUPKQ-QHCPKHFHSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000101285163	557267887	/nfs/dbraw/zinc/26/78/87/557267887.db2.gz	HMLZKWOPDZSXTP-QHCPKHFHSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1	ZINC000101286289	557267930	/nfs/dbraw/zinc/26/79/30/557267930.db2.gz	ZKTBALKEUPJCNQ-XMMPIXPASA-N	0	0	435.543	6.368	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1	ZINC000101286280	557268017	/nfs/dbraw/zinc/26/80/17/557268017.db2.gz	YFKFCZWLMGYMRR-RUZDIDTESA-N	0	0	447.579	6.238	50	30		IKEARN
O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1	ZINC000100699581	557270439	/nfs/dbraw/zinc/27/04/39/557270439.db2.gz	BABRVIJCSMJRKH-YSURURNPSA-N	0	0	436.846	5.067	50	30		IKEARN
CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(C)cc21	ZINC000100723212	557271412	/nfs/dbraw/zinc/27/14/12/557271412.db2.gz	QCRMFQVHHSJYLW-UHFFFAOYSA-N	0	0	440.381	7.100	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccccc1-c1nc2ccccc2[nH]1	ZINC000100733943	557272863	/nfs/dbraw/zinc/27/28/63/557272863.db2.gz	KHGPUYBBCJIIRW-UHFFFAOYSA-N	0	0	434.668	9.090	50	30		IKEARN
CCOC(=O)c1ccc(NC(=S)C2=C(NCc3ccccc3)CC(C)(C)CC2=O)cc1	ZINC000100743591	557274278	/nfs/dbraw/zinc/27/42/78/557274278.db2.gz	UACGHASZPFYBLQ-UHFFFAOYSA-N	0	0	436.577	5.036	50	30		IKEARN
COc1cc2c(cc1OC)-c1cc(-c3ccc(Cl)c(Cl)c3)c(C#N)c(=N)n1CC2	ZINC000101356479	557275336	/nfs/dbraw/zinc/27/53/36/557275336.db2.gz	QWVOZMCOTIQCPY-UHFFFAOYSA-N	0	0	426.303	5.053	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1	ZINC000101361400	557276599	/nfs/dbraw/zinc/27/65/99/557276599.db2.gz	XPYTWGUIIIEORN-RQZHXJHFSA-N	0	0	425.557	6.196	50	30		IKEARN
CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2s1	ZINC000101015322	557281383	/nfs/dbraw/zinc/28/13/83/557281383.db2.gz	GEDVBQOBQDNITA-UHFFFAOYSA-N	0	0	449.726	8.413	50	30		IKEARN
CCCCCC/C=N/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1	ZINC000101392774	557283162	/nfs/dbraw/zinc/28/31/62/557283162.db2.gz	STBKPDSQZGHTAW-KIGCCDCASA-N	0	0	442.426	6.825	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C1CCCCC1	ZINC000101148472	557283660	/nfs/dbraw/zinc/28/36/60/557283660.db2.gz	CULXSTLNPHOSFZ-NSSHJNEVSA-N	0	0	434.539	6.010	50	30		IKEARN
COc1ccc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(OC)cc2)cc1	ZINC000024967640	557285226	/nfs/dbraw/zinc/28/52/26/557285226.db2.gz	FSVOICPGAAZIMF-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N\N=C\c1ccncc1	ZINC000101455214	557285999	/nfs/dbraw/zinc/28/59/99/557285999.db2.gz	YJCVZBBPFJNCMB-ZWIWMWKMSA-N	0	0	443.506	5.119	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C	ZINC000101457616	557287538	/nfs/dbraw/zinc/28/75/38/557287538.db2.gz	KIKJYSRQNGNJJM-JEBQXDLDSA-N	0	0	434.517	5.409	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O	ZINC000101511624	557293478	/nfs/dbraw/zinc/29/34/78/557293478.db2.gz	UCDIRXNTFIAGTA-AJGXWLHTSA-N	0	0	444.600	6.815	50	30		IKEARN
CCCCCCCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12	ZINC000102079420	557298507	/nfs/dbraw/zinc/29/85/07/557298507.db2.gz	QAFPSDDVJMKWBA-UHFFFAOYSA-N	0	0	430.375	7.726	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4cc(Br)ccc4O)cc3o2)cc1	ZINC000102417448	557301915	/nfs/dbraw/zinc/30/19/15/557301915.db2.gz	SYIUZNCFEDGIIU-VULFUBBASA-N	0	0	449.348	7.011	50	30		IKEARN
O=C(Nc1cccc(/N=C/c2cc(Br)ccc2O)c1)c1cc2ccccc2o1	ZINC000102417205	557301933	/nfs/dbraw/zinc/30/19/33/557301933.db2.gz	XDOKEYOMXWQIAA-ZMOGYAJESA-N	0	0	435.277	5.904	50	30		IKEARN
O=C1/C(=N/c2cccc(F)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1	ZINC000102458184	557302307	/nfs/dbraw/zinc/30/23/07/557302307.db2.gz	AGIAWQKZZSPRQK-PBBVDAKRSA-N	0	0	427.523	5.205	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N\N=C\c1ccncc1	ZINC000101908512	557303457	/nfs/dbraw/zinc/30/34/57/557303457.db2.gz	YJCVZBBPFJNCMB-OPGYFNSSSA-N	0	0	443.506	5.119	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000102536379	557303487	/nfs/dbraw/zinc/30/34/87/557303487.db2.gz	YGJPIVBFVZLONS-UHFFFAOYSA-N	0	0	443.500	6.544	50	30		IKEARN
C[C@@H]1CC/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000102625458	557304177	/nfs/dbraw/zinc/30/41/77/557304177.db2.gz	QHSOFLQDNNTTDE-WSVKJVBWSA-N	0	0	430.460	6.081	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@H]3C2=O)c1	ZINC000102643523	557304569	/nfs/dbraw/zinc/30/45/69/557304569.db2.gz	HWIHXMLIRVYVIF-QUURXOELSA-N	0	0	438.612	6.248	50	30		IKEARN
Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc(C(C)(C)C#N)cc3)c2)c1	ZINC000023134088	557305186	/nfs/dbraw/zinc/30/51/86/557305186.db2.gz	HPQRMUHBRASWHU-UHFFFAOYSA-N	0	0	447.560	5.158	50	30		IKEARN
COc1ccc(Cl)cc1NC(=O)c1c(/N=C/c2ccncc2)sc2c1CCCC2	ZINC000101892592	557305816	/nfs/dbraw/zinc/30/58/16/557305816.db2.gz	AHNBDHRWQSJQSB-DHRITJCHSA-N	0	0	425.941	5.687	50	30		IKEARN
COc1ccc(-n2c(=S)ss/c2=N\C(=N\c2ccc(C)cc2)c2ccccc2)cc1	ZINC000101973130	557309562	/nfs/dbraw/zinc/30/95/62/557309562.db2.gz	VZICHORWUKWPDI-ZINFLPCDSA-N	0	0	449.626	6.326	50	30		IKEARN
CC(C)c1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000101972812	557309583	/nfs/dbraw/zinc/30/95/83/557309583.db2.gz	BOWWLZSRFBIMJB-QFIPXVFZSA-N	0	0	427.548	5.490	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(C)c1	ZINC000002863302	557310236	/nfs/dbraw/zinc/31/02/36/557310236.db2.gz	KRRSHIUPMXZQPP-UHFFFAOYSA-N	0	0	432.471	5.189	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2	ZINC000102065643	557312599	/nfs/dbraw/zinc/31/25/99/557312599.db2.gz	DXKWSFJVEUXPNY-LJQANCHMSA-N	0	0	435.674	7.299	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1Cl	ZINC000002865526	557313078	/nfs/dbraw/zinc/31/30/78/557313078.db2.gz	XTKROYNLQYLBHO-INIZCTEOSA-N	0	0	441.000	6.029	50	30		IKEARN
CCCCCCCOc1nc2ccccc2nc1[C@H](C#N)S(=O)(=O)c1ccc(C)cc1	ZINC000102136841	557313339	/nfs/dbraw/zinc/31/33/39/557313339.db2.gz	JRWHJVBJPMAUGZ-QFIPXVFZSA-N	0	0	437.565	5.326	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000102137248	557313554	/nfs/dbraw/zinc/31/35/54/557313554.db2.gz	KDOUMEBUEPCNCB-JOCHJYFZSA-N	0	0	449.501	5.983	50	30		IKEARN
CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OCC)c2)S/C1=N/c1ccccc1	ZINC000103217596	557313674	/nfs/dbraw/zinc/31/36/74/557313674.db2.gz	YQYIDYWBMUZUQE-XZKXACHFSA-N	0	0	438.593	6.134	50	30		IKEARN
COc1cc([C@@H]2c3c(C)nn(-c4cccc(C)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O	ZINC000102160504	557313688	/nfs/dbraw/zinc/31/36/88/557313688.db2.gz	BFHOGWNXRVFFCO-XMMPIXPASA-N	0	0	443.547	5.404	50	30		IKEARN
COc1cc([C@H]2c3c(C)nn(-c4cccc(C)c4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O	ZINC000102160502	557313698	/nfs/dbraw/zinc/31/36/98/557313698.db2.gz	BFHOGWNXRVFFCO-DEOSSOPVSA-N	0	0	443.547	5.404	50	30		IKEARN
CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1	ZINC000100117636	557314903	/nfs/dbraw/zinc/31/49/03/557314903.db2.gz	NKVBMEVULBJSKQ-PZHNNBNVSA-N	0	0	449.381	6.949	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(Br)cc1)Nc1ccccc1-2	ZINC000002874009	557316686	/nfs/dbraw/zinc/31/66/86/557316686.db2.gz	KHIMYIYBAKULBV-KRWDZBQOSA-N	0	0	427.327	5.082	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1	ZINC000103616472	557316949	/nfs/dbraw/zinc/31/69/49/557316949.db2.gz	XQHBVMCHFFVEAB-CVKSISIWSA-N	0	0	439.427	6.422	50	30		IKEARN
CO/C(=N\[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1	ZINC000103611276	557317004	/nfs/dbraw/zinc/31/70/04/557317004.db2.gz	NTSSBJCZIZYUSP-AJIWAEEYSA-N	0	0	430.788	5.071	50	30		IKEARN
C=CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2ccccc2n1	ZINC000002836596	557317857	/nfs/dbraw/zinc/31/78/57/557317857.db2.gz	LUPOCOYEZXNCIE-UHFFFAOYSA-N	0	0	425.517	5.136	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)SC1=S	ZINC000002847968	557317881	/nfs/dbraw/zinc/31/78/81/557317881.db2.gz	FMCNZGJMNDMYCL-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
CCCCCCCCCCP(=O)(CCCCCCCCCC)c1ccc(Cl)cc1	ZINC000102369295	557318799	/nfs/dbraw/zinc/31/87/99/557318799.db2.gz	CSGLZNVQUCTEBF-UHFFFAOYSA-N	0	0	441.080	9.610	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccccc2C)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973291	557319736	/nfs/dbraw/zinc/31/97/36/557319736.db2.gz	UMSOWAMNAYXTEW-UHFFFAOYSA-N	0	0	445.611	5.392	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S	ZINC000002863895	557319807	/nfs/dbraw/zinc/31/98/07/557319807.db2.gz	FNFQJJNVWSJUNZ-XDHOZWIPSA-N	0	0	445.993	5.623	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102401955	557320853	/nfs/dbraw/zinc/32/08/53/557320853.db2.gz	CAGWHKOMOXFQJN-WOOAAIBNSA-N	0	0	438.574	5.571	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1	ZINC000002842042	557322268	/nfs/dbraw/zinc/32/22/68/557322268.db2.gz	MQCUGHOMRDCERI-NRFANRHFSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2	ZINC000002878668	557324230	/nfs/dbraw/zinc/32/42/30/557324230.db2.gz	STQIVYWQTIKGBM-QHCPKHFHSA-N	0	0	440.528	6.112	50	30		IKEARN
COC(=O)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C\c3ccc(C(=O)OC)cc3)C2=O)cc1	ZINC000033144986	557325956	/nfs/dbraw/zinc/32/59/56/557325956.db2.gz	NADWIFYTOHURMR-HOFJZWJUSA-N	0	0	446.543	5.752	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1cccc(Oc3ccccc3)c1)Nc1ccccc1-2	ZINC000002878667	557326649	/nfs/dbraw/zinc/32/66/49/557326649.db2.gz	STQIVYWQTIKGBM-HSZRJFAPSA-N	0	0	440.528	6.112	50	30		IKEARN
Cc1cc(C)c(O)c(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)c1	ZINC000100132114	557331767	/nfs/dbraw/zinc/33/17/67/557331767.db2.gz	YWDKKANSXIBPNY-BRJLIKDPSA-N	0	0	444.756	6.472	50	30		IKEARN
CCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CCCC1=O	ZINC000100139619	557333377	/nfs/dbraw/zinc/33/33/77/557333377.db2.gz	QEADHSDIJFXPRF-UHFFFAOYSA-N	0	0	430.548	5.174	50	30		IKEARN
CCCC(NCCc1ccc(OCC)c(OCC)c1)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000100140064	557333923	/nfs/dbraw/zinc/33/39/23/557333923.db2.gz	ZJKDKFVYGHENHT-UHFFFAOYSA-N	0	0	449.591	5.386	50	30		IKEARN
N#Cc1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1CSC1CCCCC1	ZINC000014358091	557335572	/nfs/dbraw/zinc/33/55/72/557335572.db2.gz	BPCDWANYMOEGSG-UHFFFAOYSA-N	0	0	448.544	5.666	50	30		IKEARN
CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102501568	557338189	/nfs/dbraw/zinc/33/81/89/557338189.db2.gz	MHYAJTQWIMJGKN-HOGKFDNTSA-N	0	0	433.891	5.365	50	30		IKEARN
CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102501576	557338227	/nfs/dbraw/zinc/33/82/27/557338227.db2.gz	MHYAJTQWIMJGKN-MOBKVPTQSA-N	0	0	433.891	5.365	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000102507235	557339796	/nfs/dbraw/zinc/33/97/96/557339796.db2.gz	XXNYGLZRWUNMGI-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
CCCCCCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O	ZINC000100167835	557339992	/nfs/dbraw/zinc/33/99/92/557339992.db2.gz	UTFLUDCMCRNPOL-ZBJSNUHESA-N	0	0	427.589	5.087	50	30		IKEARN
CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2cccc3ccccc23)cc1	ZINC000100166420	557340556	/nfs/dbraw/zinc/34/05/56/557340556.db2.gz	KPCYFTMFPHNVDZ-QOCHGBHMSA-N	0	0	428.572	7.782	50	30		IKEARN
CCCCCCCCOc1ccc(NC=C2N=C(c3cccc4ccccc43)OC2=O)cc1	ZINC000100168343	557340906	/nfs/dbraw/zinc/34/09/06/557340906.db2.gz	PECVOBPXJQXXMJ-LHLOQNFPSA-N	0	0	442.559	6.836	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102535858	557345099	/nfs/dbraw/zinc/34/50/99/557345099.db2.gz	LHBNCNIDBBNVIY-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2CCCOC(C)C	ZINC000023332808	557346273	/nfs/dbraw/zinc/34/62/73/557346273.db2.gz	LMXPNYNVOOXEBA-UHFFFAOYSA-N	0	0	437.565	5.192	50	30		IKEARN
CCCCn1c(/N=C/c2cccc(OC)c2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176661	557347627	/nfs/dbraw/zinc/34/76/27/557347627.db2.gz	HRCUTNQEXHGTCL-NJZRLIGZSA-N	0	0	433.555	7.253	50	30		IKEARN
CCCCn1c(/N=C/c2cccc(OC)c2O)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176631	557347681	/nfs/dbraw/zinc/34/76/81/557347681.db2.gz	LLPFFWOYHYDXLG-AJBULDERSA-N	0	0	449.554	6.959	50	30		IKEARN
COC(C)(OC)c1ccc(C#N)c(SCc2csc(Cc3ccc(C)cc3)n2)n1	ZINC000023336496	557348771	/nfs/dbraw/zinc/34/87/71/557348771.db2.gz	QEVBEALTQNGUFC-UHFFFAOYSA-N	0	0	425.579	5.067	50	30		IKEARN
CC(C)(C)c1cc(NC(=O)c2ccc(OC(F)(F)F)cc2)n(-c2ccc(C#N)cc2)n1	ZINC000023335215	557349984	/nfs/dbraw/zinc/34/99/84/557349984.db2.gz	IIQSNHSEDWSHJK-UHFFFAOYSA-N	0	0	428.414	5.192	50	30		IKEARN
Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCCC3)c1	ZINC000023380997	557352169	/nfs/dbraw/zinc/35/21/69/557352169.db2.gz	NZFMVSZYIUDGEN-UHFFFAOYSA-N	0	0	445.994	6.629	50	30		IKEARN
CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)cc1OC	ZINC000100183018	557352484	/nfs/dbraw/zinc/35/24/84/557352484.db2.gz	QOODNLLNLFMICV-CFEZCKOSSA-N	0	0	444.556	6.293	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000102582600	557355487	/nfs/dbraw/zinc/35/54/87/557355487.db2.gz	DRKMWZBPSIYESD-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1	ZINC000102580671	557355561	/nfs/dbraw/zinc/35/55/61/557355561.db2.gz	ALQJVCLZXJUQKW-FNZWTVRRSA-N	0	0	447.534	6.539	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1	ZINC000102580666	557355583	/nfs/dbraw/zinc/35/55/83/557355583.db2.gz	ALQJVCLZXJUQKW-RXFWQSSRSA-N	0	0	447.534	6.539	50	30		IKEARN
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1	ZINC000102595288	557357228	/nfs/dbraw/zinc/35/72/28/557357228.db2.gz	PGNHDAYBGSOACL-QGCDDDHDSA-N	0	0	449.428	5.888	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000102553286	557358390	/nfs/dbraw/zinc/35/83/90/557358390.db2.gz	SQPCACGGUYLTEZ-JBCNATCCSA-N	0	0	448.316	5.384	50	30		IKEARN
COc1ccc(OC)c(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000102656302	557361612	/nfs/dbraw/zinc/36/16/12/557361612.db2.gz	NDTUHKKTTBVOMI-YCJCGMCGSA-N	0	0	444.556	5.377	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000102667366	557362578	/nfs/dbraw/zinc/36/25/78/557362578.db2.gz	XSBXVKJSHYYEQI-ZHHPLPSFSA-N	0	0	437.536	5.014	50	30		IKEARN
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccccc1	ZINC000102668852	557362850	/nfs/dbraw/zinc/36/28/50/557362850.db2.gz	PGNHDAYBGSOACL-PQIDUSIDSA-N	0	0	449.428	5.888	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102696612	557364867	/nfs/dbraw/zinc/36/48/67/557364867.db2.gz	JJRZHGJEUZJJCB-MRJHHRETSA-N	0	0	444.512	5.639	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(C)C)c4)CC3)c2c1	ZINC000044167720	557365219	/nfs/dbraw/zinc/36/52/19/557365219.db2.gz	MWOWJWKPZVBBIU-UHFFFAOYSA-N	0	0	442.563	5.484	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C)c(Cl)c4)CC3)c2c1	ZINC000044167627	557365230	/nfs/dbraw/zinc/36/52/30/557365230.db2.gz	FOYJPJYCNQRMGJ-UHFFFAOYSA-N	0	0	448.954	5.322	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1ccc3noc(-c4ccc(Cl)cc4)c3c1)CCCC2	ZINC000011689810	557367897	/nfs/dbraw/zinc/36/78/97/557367897.db2.gz	AYHVSRVGESXTID-UHFFFAOYSA-N	0	0	433.920	6.212	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1	ZINC000524729416	557368872	/nfs/dbraw/zinc/36/88/72/557368872.db2.gz	SRRCNBDSXVCQOE-DZCITIIWSA-N	0	0	426.468	5.573	50	30	biogenic	IKEARN
COC(=O)C[C@@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O	ZINC000524730586	557369143	/nfs/dbraw/zinc/36/91/43/557369143.db2.gz	OFKGYDCNJYZQLI-ZWAQGKOVSA-N	0	0	441.483	5.622	50	30	biogenic	IKEARN
CCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CCCC)cc3)S2)cc1	ZINC000011690588	557369795	/nfs/dbraw/zinc/36/97/95/557369795.db2.gz	USEAFHQMBMCKAE-ZCBHOAFYSA-N	0	0	437.609	5.372	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000100223293	557372024	/nfs/dbraw/zinc/37/20/24/557372024.db2.gz	BKSBJZRIXRIOKB-YCJCGMCGSA-N	0	0	444.556	5.464	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102732775	557372152	/nfs/dbraw/zinc/37/21/52/557372152.db2.gz	COKJKTOCEYAQRT-AYWGPLOBSA-N	0	0	446.503	5.131	50	30		IKEARN
CCCCCCCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102739129	557380163	/nfs/dbraw/zinc/38/01/63/557380163.db2.gz	GVESSIJGULWZFX-DEOSSOPVSA-N	0	0	432.029	7.166	50	30		IKEARN
CCCCCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Br)cc2)cc1	ZINC000102771970	557382037	/nfs/dbraw/zinc/38/20/37/557382037.db2.gz	JEGUZHVEAXGZJU-UHFFFAOYSA-N	0	0	445.401	5.469	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102803086	557385629	/nfs/dbraw/zinc/38/56/29/557385629.db2.gz	XINCQOIJQABJQG-ZHHPLPSFSA-N	0	0	447.918	5.673	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000100241724	557389272	/nfs/dbraw/zinc/38/92/72/557389272.db2.gz	UNLBWLGZDUAXKR-OBGMXFBLSA-N	0	0	443.474	5.407	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102874371	557396108	/nfs/dbraw/zinc/39/61/08/557396108.db2.gz	FEGKTRBVPUAEJG-YDJIHCHBSA-N	0	0	430.485	5.132	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2c1ccc(C#N)cc1	ZINC000102857495	557398880	/nfs/dbraw/zinc/39/88/80/557398880.db2.gz	NALGZXZFZNYTQS-MHZLTWQESA-N	0	0	447.538	6.665	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000102858054	557399179	/nfs/dbraw/zinc/39/91/79/557399179.db2.gz	ORDFAXRQDNMFJA-NHFXJNLRSA-N	0	0	442.298	5.517	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000102858715	557399395	/nfs/dbraw/zinc/39/93/95/557399395.db2.gz	DZUPHVCNUFEGNO-MOBKVPTQSA-N	0	0	448.906	5.150	50	30		IKEARN
N#Cc1c(C=CNc2cc(Cl)cc(Cl)c2)onc1-c1c(Cl)cccc1Cl	ZINC000100394996	557401494	/nfs/dbraw/zinc/40/14/94/557401494.db2.gz	ACOZVZSUNBNUCP-SNAWJCMRSA-N	0	0	425.102	6.910	50	30		IKEARN
O=C(C=CNc1ccc(OC(F)(F)F)cc1)c1ccccc1OCc1ccc(Cl)cc1	ZINC000100409230	557402046	/nfs/dbraw/zinc/40/20/46/557402046.db2.gz	QBPTZZLYUQPGPC-BUHFOSPRSA-N	0	0	447.840	6.626	50	30		IKEARN
O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCCCF)cc1	ZINC000100418650	557402134	/nfs/dbraw/zinc/40/21/34/557402134.db2.gz	FBTDUEWERHXFBD-SOFGYWHQSA-N	0	0	435.339	6.271	50	30		IKEARN
C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O	ZINC000004910378	557403644	/nfs/dbraw/zinc/40/36/44/557403644.db2.gz	HLVDEGOYHNJLMV-OAQYLSRUSA-N	0	0	431.580	5.439	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000118915792	557405691	/nfs/dbraw/zinc/40/56/91/557405691.db2.gz	IKAYYSYGCHKPAB-ZTYLKHIKSA-N	0	0	443.716	6.987	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102883957	557409030	/nfs/dbraw/zinc/40/90/30/557409030.db2.gz	LKDWWGIPGQVYER-HOGKFDNTSA-N	0	0	440.524	5.539	50	30		IKEARN
Cc1c(C#N)c(-c2ccccc2)nc(CC(=O)c2ccccc2)c1C(=O)NCc1ccccc1	ZINC000135653747	557409066	/nfs/dbraw/zinc/40/90/66/557409066.db2.gz	IVVZAJCDAOSOSL-ONUIUJJFSA-N	0	0	445.522	5.915	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102925306	557409724	/nfs/dbraw/zinc/40/97/24/557409724.db2.gz	YZYOGDQIWSWHSP-MRJHHRETSA-N	0	0	448.544	5.093	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102927420	557410435	/nfs/dbraw/zinc/41/04/35/557410435.db2.gz	BDMQWHROPODKCK-WOOAAIBNSA-N	0	0	436.508	5.206	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102926894	557410447	/nfs/dbraw/zinc/41/04/47/557410447.db2.gz	RLAGPHLQUNLSAP-IAMBOQNYSA-N	0	0	440.524	5.539	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C	ZINC000102928314	557410498	/nfs/dbraw/zinc/41/04/98/557410498.db2.gz	AIPXHOOUQFXYBZ-LFVOPCPISA-N	0	0	438.936	5.348	50	30		IKEARN
CCCCCCCCCc1ccc(-c2ccc(CCCCCC(=O)OCCC)cc2)cc1	ZINC000100496123	557410502	/nfs/dbraw/zinc/41/05/02/557410502.db2.gz	XOORPHAAJDRAII-UHFFFAOYSA-N	0	0	436.680	8.703	50	30		IKEARN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl	ZINC000033558084	557410825	/nfs/dbraw/zinc/41/08/25/557410825.db2.gz	AYRZFHJNKMIXRS-ISHSZONUSA-N	0	0	429.903	5.518	50	30		IKEARN
C(#Cc1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12)c1ccccc1	ZINC000002539437	557411567	/nfs/dbraw/zinc/41/15/67/557411567.db2.gz	OUHYGBCAEPBUNA-UHFFFAOYSA-N	0	0	428.534	7.946	50	30		IKEARN
O=C1C[C@@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccc(Cl)cc1	ZINC000100511130	557412643	/nfs/dbraw/zinc/41/26/43/557412643.db2.gz	CBLHHUBFBGJLOQ-HXUWFJFHSA-N	0	0	435.936	5.505	50	30		IKEARN
N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1	ZINC000033573319	557412701	/nfs/dbraw/zinc/41/27/01/557412701.db2.gz	UCTVHEQZNBUUPH-UHFFFAOYSA-N	0	0	435.452	5.311	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102931305	557412815	/nfs/dbraw/zinc/41/28/15/557412815.db2.gz	DDOKQZLYLWWRCT-ZHHPLPSFSA-N	0	0	445.515	5.208	50	30		IKEARN
CCOC(=O)c1ccc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1	ZINC000102932678	557412953	/nfs/dbraw/zinc/41/29/53/557412953.db2.gz	SYWPYLBQSPAALZ-NRFANRHFSA-N	0	0	427.500	5.641	50	30		IKEARN
CCOC(=O)c1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc1	ZINC000102932676	557412991	/nfs/dbraw/zinc/41/29/91/557412991.db2.gz	SYWPYLBQSPAALZ-OAQYLSRUSA-N	0	0	427.500	5.641	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000102932770	557413018	/nfs/dbraw/zinc/41/30/18/557413018.db2.gz	RLERMIWFBYDRCK-QOJBNDRUSA-N	0	0	430.485	5.132	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C\c2ccccc2Cl)c2nc3ccccc3o2)cc1	ZINC000102987152	557414027	/nfs/dbraw/zinc/41/40/27/557414027.db2.gz	GRRBNEFLAINRPX-HEHNFIMWSA-N	0	0	431.919	7.084	50	30		IKEARN
COc1ccccc1/C=C(\C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1	ZINC000102987131	557414032	/nfs/dbraw/zinc/41/40/32/557414032.db2.gz	KMBMKFGUZRMKPM-QGOAFFKASA-N	0	0	445.471	5.286	50	30		IKEARN
CCCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C	ZINC000102995408	557414764	/nfs/dbraw/zinc/41/47/64/557414764.db2.gz	QXBSUNKJKMNZII-UHFFFAOYSA-N	0	0	440.628	5.839	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3OC)n2)cc1	ZINC000102996700	557414848	/nfs/dbraw/zinc/41/48/48/557414848.db2.gz	LBJNJBMORMXMNN-UHFFFAOYSA-N	0	0	437.609	7.251	50	30		IKEARN
CCCCCCCC(=O)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C1CC1	ZINC000102991160	557415765	/nfs/dbraw/zinc/41/57/65/557415765.db2.gz	AQZJNPRVKCHQFR-UHFFFAOYSA-N	0	0	447.572	5.445	50	30		IKEARN
CCCCCCCCC(=O)N(CCC)CC(=O)N(CCc1ccccc1)Cc1ccco1	ZINC000103066930	557417544	/nfs/dbraw/zinc/41/75/44/557417544.db2.gz	ZTJACTHPHNOIOY-UHFFFAOYSA-N	0	0	440.628	5.840	50	30		IKEARN
O=C(/C=C\c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1	ZINC000033622787	557424133	/nfs/dbraw/zinc/42/41/33/557424133.db2.gz	GGBBMSWLFJOFMQ-KAMYIIQDSA-N	0	0	441.708	6.218	50	30		IKEARN
O=C1C/C(=N/N=c2\scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21	ZINC000103526817	557438661	/nfs/dbraw/zinc/43/86/61/557438661.db2.gz	PGUFQQJWSLCLJN-OLPWBVPVSA-N	0	0	429.932	5.751	50	30		IKEARN
O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)cc1)c1ccccc1Br	ZINC000103583305	557439788	/nfs/dbraw/zinc/43/97/88/557439788.db2.gz	OIGMGGFEPVJKJE-XMHGGMMESA-N	0	0	448.272	5.013	50	30		IKEARN
CCOc1ccc(/N=C2\S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000103687003	557440273	/nfs/dbraw/zinc/44/02/73/557440273.db2.gz	KNLCQTIEBLYWRY-KKOPTWAASA-N	0	0	445.588	6.503	50	30		IKEARN
O=C1c2cc(Br)ccc2N/C1=C1\Sc2c(ccc3cccc(Cl)c23)C1=O	ZINC000103862869	557442322	/nfs/dbraw/zinc/44/23/22/557442322.db2.gz	MJURASYNFLAELQ-SILNSSARSA-N	0	0	442.721	6.064	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2	ZINC000105022722	557472982	/nfs/dbraw/zinc/47/29/82/557472982.db2.gz	KDWPIOPOLORVBC-DFHRPNOPSA-N	0	0	440.587	5.212	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccc(C)cc1)CC2	ZINC000105023111	557473025	/nfs/dbraw/zinc/47/30/25/557473025.db2.gz	CUBSDPUTKIWKAF-SKCUWOTOSA-N	0	0	440.587	5.212	50	30		IKEARN
CC(C)(C)/N=C/C=C(\Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1	ZINC000017101657	557490322	/nfs/dbraw/zinc/49/03/22/557490322.db2.gz	NKHFUGFAONPQQI-RWGDXKNYSA-N	0	0	437.612	7.746	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2cccc(Cl)c2)C1	ZINC000044858728	557538008	/nfs/dbraw/zinc/53/80/08/557538008.db2.gz	MKCBYXVUQQJDHM-JOCHJYFZSA-N	0	0	446.938	5.447	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccc(F)c(F)c2)C1	ZINC000044858946	557538062	/nfs/dbraw/zinc/53/80/62/557538062.db2.gz	VBPPTAHUTKQBRZ-QFIPXVFZSA-N	0	0	448.473	5.072	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1	ZINC000044859193	557538449	/nfs/dbraw/zinc/53/84/49/557538449.db2.gz	OPQQCNGWMJBAPQ-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccc([C@@H]2c3c(N)nc(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000044973565	557541617	/nfs/dbraw/zinc/54/16/17/557541617.db2.gz	DWMQXSRUQJLNSG-IBGZPJMESA-N	0	0	436.625	5.706	50	30		IKEARN
Cc1c(C#N)c(-c2ccccc2)nc(CC(=O)c2ccccc2)c1C(=O)NCc1ccccc1	ZINC000108332794	557542447	/nfs/dbraw/zinc/54/24/47/557542447.db2.gz	IVVZAJCDAOSOSL-YZSQISJMSA-N	0	0	445.522	5.915	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccsc1	ZINC000108519744	557542912	/nfs/dbraw/zinc/54/29/12/557542912.db2.gz	ISXHHSLHOQHZBA-DNVJHFABSA-N	0	0	441.943	5.686	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2c(OC)ccc3c(-c4ccccc4)cc(=O)oc32)cc1OC	ZINC000108710298	557543617	/nfs/dbraw/zinc/54/36/17/557543617.db2.gz	XCAIMLNOODYNKC-XFXZXTDPSA-N	0	0	442.467	5.382	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O	ZINC000002980522	557655230	/nfs/dbraw/zinc/65/52/30/557655230.db2.gz	MFCQJBVXEFPPQA-CJLVFECKSA-N	0	0	433.529	5.062	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)SC1=S	ZINC000002988045	557656206	/nfs/dbraw/zinc/65/62/06/557656206.db2.gz	XXHMZGUWLQMRGY-YBFXNURJSA-N	0	0	449.956	5.454	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2	ZINC000002977380	557662995	/nfs/dbraw/zinc/66/29/95/557662995.db2.gz	FHPRVLSVNOPMIM-NRFANRHFSA-N	0	0	432.480	5.719	50	30		IKEARN
C=CCc1ccc(OCCOCCOc2ccc(Cl)cc2Br)c(OC)c1	ZINC000002985410	557681018	/nfs/dbraw/zinc/68/10/18/557681018.db2.gz	GIFGRDWYXKCFEK-UHFFFAOYSA-N	0	0	441.749	5.314	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S	ZINC000002967188	557688111	/nfs/dbraw/zinc/68/81/11/557688111.db2.gz	LHEKEQJRTNAVRD-HZHRSRAPSA-N	0	0	447.581	5.815	50	30		IKEARN
C=CCN(CC=C)C(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000002983959	557689323	/nfs/dbraw/zinc/68/93/23/557689323.db2.gz	LXSMQPFOPBZPRT-IBGZPJMESA-N	0	0	436.621	5.966	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1	ZINC000000851171	557830339	/nfs/dbraw/zinc/83/03/39/557830339.db2.gz	NUCGYUZQUBVKPA-UHFFFAOYSA-N	0	0	447.869	6.023	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1	ZINC000000851158	557830380	/nfs/dbraw/zinc/83/03/80/557830380.db2.gz	PEQIIJIMSHPZBD-OAHLLOKOSA-N	0	0	428.435	5.571	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc31)Nc1ccccc1N2	ZINC000000861254	557832527	/nfs/dbraw/zinc/83/25/27/557832527.db2.gz	SSPBPHSKZQHDGD-CBZJRKILSA-N	0	0	439.946	6.801	50	30		IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O	ZINC000229875626	557833303	/nfs/dbraw/zinc/83/33/03/557833303.db2.gz	GAKVNINHIOJQFK-KAJLVOKLSA-N	0	0	442.477	6.410	50	30		IKEARN
O=S(=O)(OC[C@@H](Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1	ZINC000003136946	557842418	/nfs/dbraw/zinc/84/24/18/557842418.db2.gz	MOUWCLXELLTTIT-LJQANCHMSA-N	0	0	431.351	5.181	50	30		IKEARN
Cc1ccc(C)c2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc12	ZINC000000872699	557843304	/nfs/dbraw/zinc/84/33/04/557843304.db2.gz	UECOOKMTKSBODN-UHFFFAOYSA-N	0	0	426.339	5.217	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1F	ZINC000000878390	557848613	/nfs/dbraw/zinc/84/86/13/557848613.db2.gz	LQKQDGKVWVCMAN-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000003873295	557852553	/nfs/dbraw/zinc/85/25/53/557852553.db2.gz	QRJJEGAJXVEBNE-HKOYGPOVSA-N	0	0	429.134	6.118	50	30	fda	IKEARN
C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C	ZINC000004027386	560193249	/nfs/dbraw/zinc/19/32/49/560193249.db2.gz	XWMMEBCFHUKHEX-ZJJHUPNDSA-N	0	0	426.729	8.025	50	30	biogenic,in-vitro	IKEARN
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C#N)c1C	ZINC000000668962	562918954	/nfs/dbraw/zinc/91/89/54/562918954.db2.gz	HXEHNYSFNSVPOV-UHFFFAOYSA-N	0	0	441.512	5.572	50	30	aggregator	IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1	ZINC000000705843	562919074	/nfs/dbraw/zinc/91/90/74/562919074.db2.gz	LIRQEBOXUUPWJJ-UHFFFAOYSA-N	0	0	433.480	5.740	50	30		IKEARN
Cc1ccc(NCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c(C)c1	ZINC000000923601	562919622	/nfs/dbraw/zinc/91/96/22/562919622.db2.gz	YFAQVEFPABQTOQ-UHFFFAOYSA-N	0	0	429.549	5.312	50	30		IKEARN
CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@@H](c2ccccc2)CC1=O	ZINC000001076676	562920360	/nfs/dbraw/zinc/92/03/60/562920360.db2.gz	SYRXVJCQXNAJMR-OAQYLSRUSA-N	0	0	428.576	5.687	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O	ZINC000001422236	562921777	/nfs/dbraw/zinc/92/17/77/562921777.db2.gz	FKVZOHKDOHNOCL-UHFFFAOYSA-N	0	0	445.353	5.555	50	30		IKEARN
OCCC#Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1	ZINC000001546302	562922759	/nfs/dbraw/zinc/92/27/59/562922759.db2.gz	QSUSKMBNZQHHPA-UHFFFAOYSA-N	0	0	425.507	5.118	50	30	in-man	IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O	ZINC000002279368	562926794	/nfs/dbraw/zinc/92/67/94/562926794.db2.gz	WWSWQJOGUQENNY-UHFFFAOYSA-N	0	0	441.571	6.282	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1ccncc1	ZINC000002618165	562928433	/nfs/dbraw/zinc/92/84/33/562928433.db2.gz	JXVRJFUWGOKKGV-UHFFFAOYSA-N	0	0	449.605	5.029	50	30		IKEARN
CC(C)OCCCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O	ZINC000002961981	562931261	/nfs/dbraw/zinc/93/12/61/562931261.db2.gz	CEFDZCQUQAMLPU-UHFFFAOYSA-N	0	0	449.601	5.590	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003671904	562937608	/nfs/dbraw/zinc/93/76/08/562937608.db2.gz	NYARXXACJSSEKL-HXOBKFHXSA-N	0	0	428.985	5.703	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003671901	562937647	/nfs/dbraw/zinc/93/76/47/562937647.db2.gz	NYARXXACJSSEKL-GAJHUEQPSA-N	0	0	428.985	5.703	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)c1ccc(NC(=O)c2cccs2)cc1	ZINC000006905746	562948543	/nfs/dbraw/zinc/94/85/43/562948543.db2.gz	XSTGOLXPXOQCTD-RMKNXTFCSA-N	0	0	432.328	6.212	50	30		IKEARN
O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000008426506	562949346	/nfs/dbraw/zinc/94/93/46/562949346.db2.gz	QNTRTJMGXWKNAD-OICHLTCNSA-N	0	0	431.904	5.471	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(F)c1	ZINC000008590623	562951763	/nfs/dbraw/zinc/95/17/63/562951763.db2.gz	QFFQPHWQTVBBAU-UHFFFAOYSA-N	0	0	426.234	6.065	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2ccc(F)cc2)cc1C(F)(F)F	ZINC000008606777	562957138	/nfs/dbraw/zinc/95/71/38/562957138.db2.gz	KYBGDEBGMURQMQ-UHFFFAOYSA-N	0	0	431.414	5.509	50	30		IKEARN
COc1ccc(CNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1	ZINC000008654624	562960213	/nfs/dbraw/zinc/96/02/13/562960213.db2.gz	IXUJYTWINBHXJO-UHFFFAOYSA-N	0	0	435.867	5.659	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1	ZINC000009370648	562969599	/nfs/dbraw/zinc/96/95/99/562969599.db2.gz	QAWKLARQMMWEKW-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c(OC)c1	ZINC000009370650	562969612	/nfs/dbraw/zinc/96/96/12/562969612.db2.gz	QAWKLARQMMWEKW-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
COc1ccc2ccccc2c1[C@@H]1N=C(SCc2ccc(F)cc2)NC(C)=C1C(C)=O	ZINC000009779829	562976848	/nfs/dbraw/zinc/97/68/48/562976848.db2.gz	NOBPYJFWIRGTQQ-XMMPIXPASA-N	0	0	434.536	5.784	50	30		IKEARN
N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@@]31N=2	ZINC000013142637	562985235	/nfs/dbraw/zinc/98/52/35/562985235.db2.gz	OTRFRNNIWWWYJW-YIIWZEITSA-N	0	0	440.550	5.049	50	30		IKEARN
N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@H](c3ccccc3)[C@@H]3CCCC[C@]31N=2	ZINC000013142636	562985277	/nfs/dbraw/zinc/98/52/77/562985277.db2.gz	OTRFRNNIWWWYJW-DIIXFEDBSA-N	0	0	440.550	5.049	50	30		IKEARN
N#Cc1ccc(Oc2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)cc1	ZINC000084711703	563177530	/nfs/dbraw/zinc/17/75/30/563177530.db2.gz	QIBWSQJZKMUZAK-UHFFFAOYSA-N	0	0	431.801	6.667	50	30		IKEARN
Cc1ccc(C=NNC(=O)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C2(F)F)cc1	ZINC000097965604	568615484	/nfs/dbraw/zinc/61/54/84/568615484.db2.gz	HIBQGRBCJKJKBL-ASFRMHBNSA-N	0	0	442.228	5.184	50	30		IKEARN
C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(C#N)cc1	ZINC000000900646	568635523	/nfs/dbraw/zinc/63/55/23/568635523.db2.gz	BMVDLWCTPIDDEM-CYBMUJFWSA-N	0	0	428.439	5.153	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(C#N)cc1	ZINC000025147295	568641389	/nfs/dbraw/zinc/64/13/89/568641389.db2.gz	NILIVAJDLPAGHL-UHFFFAOYSA-N	0	0	448.526	5.941	50	30		IKEARN
C=CCn1c(SCC(=O)c2c(C)[nH]c3ccccc32)nc2sc3c(c2c1=O)CCCC3	ZINC000000943181	568641781	/nfs/dbraw/zinc/64/17/81/568641781.db2.gz	OILNIBCSBOHGCU-UHFFFAOYSA-N	0	0	449.601	5.288	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1	ZINC000000952989	568645048	/nfs/dbraw/zinc/64/50/48/568645048.db2.gz	GLCWESATTUQJBY-XMMPIXPASA-N	0	0	449.522	5.182	50	30		IKEARN
C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc(-c2ccccc2)nc2ccccc21	ZINC000025161468	568647073	/nfs/dbraw/zinc/64/70/73/568647073.db2.gz	VBEVMNOVKDDEAU-UHFFFAOYSA-N	0	0	448.595	6.947	50	30		IKEARN
O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000974030	568647824	/nfs/dbraw/zinc/64/78/24/568647824.db2.gz	CAUZOPUGFBYSMU-WQRHYEAKSA-N	0	0	425.853	5.400	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)o1	ZINC000000997104	568648225	/nfs/dbraw/zinc/64/82/25/568648225.db2.gz	ZEAUUTQQMKSDAH-AWEZNQCLSA-N	0	0	427.529	6.114	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)o1	ZINC000000997105	568648352	/nfs/dbraw/zinc/64/83/52/568648352.db2.gz	ZEAUUTQQMKSDAH-CQSZACIVSA-N	0	0	427.529	6.114	50	30		IKEARN
CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1ccccc1C#N	ZINC000000978921	568648613	/nfs/dbraw/zinc/64/86/13/568648613.db2.gz	BBFNCKCNBXMZKI-UHFFFAOYSA-N	0	0	431.517	5.118	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000000993757	568649341	/nfs/dbraw/zinc/64/93/41/568649341.db2.gz	JONSVWVNVJWECN-AREMUKBSSA-N	0	0	431.580	5.696	50	30		IKEARN
CCOc1ccc2ccccc2c1C(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C#N	ZINC000001000956	568650048	/nfs/dbraw/zinc/65/00/48/568650048.db2.gz	OYCYQPRUUGZJCY-UHFFFAOYSA-N	0	0	435.549	5.214	50	30		IKEARN
COc1ccc(-c2c3c(nc(SCC(=O)Nc4ccc(C)cc4)c2C#N)CCC3)cc1	ZINC000001017314	568651857	/nfs/dbraw/zinc/65/18/57/568651857.db2.gz	IICDMQRKYHGZPW-UHFFFAOYSA-N	0	0	429.545	5.157	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)Nc1ccccc1F	ZINC000001022735	568653224	/nfs/dbraw/zinc/65/32/24/568653224.db2.gz	RBDMPKMBAGHIQX-WYMPLXKRSA-N	0	0	437.521	5.622	50	30		IKEARN
CC(C)c1cc(Br)c(NC(=O)Nc2ccc(C#N)cc2)c(Br)c1	ZINC000001032799	568653815	/nfs/dbraw/zinc/65/38/15/568653815.db2.gz	VUCXYPKUQQLJGP-UHFFFAOYSA-N	0	0	437.135	5.851	50	30		IKEARN
COC(=O)c1sc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C	ZINC000001077950	568654840	/nfs/dbraw/zinc/65/48/40/568654840.db2.gz	WTTFEPDTGBBKGA-UHFFFAOYSA-N	0	0	425.318	5.489	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)NCCc1ccccc1	ZINC000001058997	568655377	/nfs/dbraw/zinc/65/53/77/568655377.db2.gz	GORLEAICECERQT-JFLMPSFJSA-N	0	0	449.576	5.637	50	30		IKEARN
N#Cc1c(SCCC(=O)Nc2ccccc2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000001063158	568655626	/nfs/dbraw/zinc/65/56/26/568655626.db2.gz	JKBDAXQCQJGYKE-UHFFFAOYSA-N	0	0	427.451	5.760	50	30		IKEARN
COc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1	ZINC000001065118	568655948	/nfs/dbraw/zinc/65/59/48/568655948.db2.gz	XEWLVIYGZFVAIE-LPYMAVHISA-N	0	0	430.289	5.458	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C#N)cc3)c2C1	ZINC000025391341	568656236	/nfs/dbraw/zinc/65/62/36/568656236.db2.gz	RVFQAHQGMZYNPS-SFHVURJKSA-N	0	0	441.531	5.053	50	30		IKEARN
Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1	ZINC000001068400	568656530	/nfs/dbraw/zinc/65/65/30/568656530.db2.gz	POLQYPVNZHMTEU-WOLPYFHWSA-N	0	0	443.572	5.464	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1F)C(=O)C[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000001079490	568656781	/nfs/dbraw/zinc/65/67/81/568656781.db2.gz	DJQIISWFCCPVQJ-INIZCTEOSA-N	0	0	426.419	5.037	50	30		IKEARN
COc1ccccc1NC(=O)c1sc(NC(=O)CCCc2ccccc2)c(C#N)c1C	ZINC000001088140	568658278	/nfs/dbraw/zinc/65/82/78/568658278.db2.gz	UWOZTIRSWDINGP-UHFFFAOYSA-N	0	0	433.533	5.151	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000001097818	568658854	/nfs/dbraw/zinc/65/88/54/568658854.db2.gz	PHBSIRLDUCKWOM-XMMPIXPASA-N	0	0	426.516	5.292	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)sc2C1	ZINC000001115336	568659621	/nfs/dbraw/zinc/65/96/21/568659621.db2.gz	PXOBTKJKMKNXGA-GFCCVEGCSA-N	0	0	441.350	6.019	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(=O)(=O)Cc3ccccc3)n2)cc1	ZINC000001119704	568659897	/nfs/dbraw/zinc/65/98/97/568659897.db2.gz	RFACMNBJPKLSCG-UHFFFAOYSA-N	0	0	440.524	5.270	50	30		IKEARN
Cn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccc(F)cc2)cc1	ZINC000001130735	568661559	/nfs/dbraw/zinc/66/15/59/568661559.db2.gz	VORLTAZAJWRHPN-UHFFFAOYSA-N	0	0	443.507	5.037	50	30		IKEARN
Brc1ccc(/N=C/c2ccc(/C=N/c3ccc(Br)cn3)cc2)nc1	ZINC000015134537	568663713	/nfs/dbraw/zinc/66/37/13/568663713.db2.gz	HCBCOXVARXYYQX-VGENTYGXSA-N	0	0	444.130	5.503	50	30		IKEARN
Cc1cc(Br)c(O)c(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)c1	ZINC000015134300	568663930	/nfs/dbraw/zinc/66/39/30/568663930.db2.gz	GUMNIPNVVIJYCB-KSEXSDGBSA-N	0	0	439.334	6.196	50	30		IKEARN
O=C1/C(=N\N=C2c3ccccc3-c3ccccc32)c2ccccc2N1Cc1ccccc1Cl	ZINC000015231367	568735125	/nfs/dbraw/zinc/73/51/25/568735125.db2.gz	OXYQGQVACAPRJP-QVTSOHHYSA-N	0	0	447.925	6.109	50	30		IKEARN
N#Cc1ccc(CN2CCCN(c3cccc(NC(=O)c4ccccc4Cl)c3)C2=O)cc1	ZINC000034735443	568737596	/nfs/dbraw/zinc/73/75/96/568737596.db2.gz	INWCNFHKAXNBKP-UHFFFAOYSA-N	0	0	444.922	5.296	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)SC(=C2C(=O)c3ccccc3C2=O)N1c1ccccc1	ZINC000137027664	568738005	/nfs/dbraw/zinc/73/80/05/568738005.db2.gz	ZLJRVLKZKZJNKM-UHFFFAOYSA-N	0	0	438.508	5.401	50	30		IKEARN
COc1ccccc1-c1ccc2oc([C@@H]3CCCN3C(=O)Nc3ccc(C#N)cc3)nc2c1	ZINC000034908984	568739381	/nfs/dbraw/zinc/73/93/81/568739381.db2.gz	VXRWJJCXEXIGDX-QFIPXVFZSA-N	0	0	438.487	5.744	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000001217702	568740818	/nfs/dbraw/zinc/74/08/18/568740818.db2.gz	PIKWZUCRTCRENM-WXTAPIANSA-N	0	0	441.487	5.583	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCc1ccccc1	ZINC000001916312	568742247	/nfs/dbraw/zinc/74/22/47/568742247.db2.gz	HEJKOCSADUMYGF-UHFFFAOYSA-N	0	0	435.552	5.696	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1C1CCCCC1	ZINC000003332856	568746545	/nfs/dbraw/zinc/74/65/45/568746545.db2.gz	CPLXFAUEBUPZET-UHFFFAOYSA-N	0	0	432.593	5.910	50	30		IKEARN
CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccccc3)cc21	ZINC000003368331	568747537	/nfs/dbraw/zinc/74/75/37/568747537.db2.gz	UAWSSBZOZQJNLA-UHFFFAOYSA-N	0	0	429.538	5.669	50	30		IKEARN
O=C(c1cccs1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1	ZINC000003622582	568751525	/nfs/dbraw/zinc/75/15/25/568751525.db2.gz	LYIAJHNBAJIGRX-VWLOTQADSA-N	0	0	436.536	6.085	50	30		IKEARN
O=C(c1cccs1)C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1	ZINC000003622584	568751609	/nfs/dbraw/zinc/75/16/09/568751609.db2.gz	LYIAJHNBAJIGRX-RUZDIDTESA-N	0	0	436.536	6.085	50	30		IKEARN
O=C(C=C(Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1	ZINC000003668792	568754125	/nfs/dbraw/zinc/75/41/25/568754125.db2.gz	JKPZBHYOSUHICB-OQLLNIDSSA-N	0	0	449.064	5.953	50	30		IKEARN
O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@H]1c1ccccc1F)c1ccccc1	ZINC000003669533	568754130	/nfs/dbraw/zinc/75/41/30/568754130.db2.gz	MWXOYKBNFIYWBT-MHZLTWQESA-N	0	0	448.497	6.163	50	30		IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccccc2Cl)CC(=O)O3)C1=O	ZINC000263584865	568758963	/nfs/dbraw/zinc/75/89/63/568758963.db2.gz	BRBHDKFDQXTHIG-CTPANLQCSA-N	0	0	432.859	5.406	50	30	biogenic	IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(F)c(F)c2)CC(=O)O3)C1=O	ZINC000263586593	568759339	/nfs/dbraw/zinc/75/93/39/568759339.db2.gz	WAORZBROFWIQDM-SJJOQSKNSA-N	0	0	434.394	5.031	50	30	biogenic	IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O	ZINC000263586474	568759482	/nfs/dbraw/zinc/75/94/82/568759482.db2.gz	UTXXZOLHNGBYPU-DEYGKZMTSA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccnc1	ZINC000004035914	568759649	/nfs/dbraw/zinc/75/96/49/568759649.db2.gz	MIWCWTRTLAOELW-JIPXPUAJSA-N	0	0	435.527	5.392	50	30		IKEARN
Cc1cccc(Nc2nc(N=NCc3ccc(Cl)cc3)nc(N3CCC(C)CC3)n2)c1C	ZINC000004044955	568759694	/nfs/dbraw/zinc/75/96/94/568759694.db2.gz	IJQHFJJIZKTLLF-CVKSISIWSA-N	0	0	449.990	5.568	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1	ZINC000004035911	568759738	/nfs/dbraw/zinc/75/97/38/568759738.db2.gz	MIWCWTRTLAOELW-IDISGSTGSA-N	0	0	435.527	5.392	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004062241	568760118	/nfs/dbraw/zinc/76/01/18/568760118.db2.gz	RPJYQERFYOCLIV-PPHZAIPVSA-N	0	0	444.962	6.718	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1Cl	ZINC000004078587	568760593	/nfs/dbraw/zinc/76/05/93/568760593.db2.gz	PQZNRMSRUHBYOC-HSZRJFAPSA-N	0	0	426.919	6.032	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3	ZINC000001245849	568774755	/nfs/dbraw/zinc/77/47/55/568774755.db2.gz	ZHSQQFRKGJRADX-SFHVURJKSA-N	0	0	426.607	5.272	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)c1	ZINC000004105621	568775423	/nfs/dbraw/zinc/77/54/23/568775423.db2.gz	FSSNWONTRIYKEH-NPGCFZLRSA-N	0	0	447.560	6.313	50	30		IKEARN
N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(Br)c2)cc1C#N	ZINC000001265677	568775429	/nfs/dbraw/zinc/77/54/29/568775429.db2.gz	GNQOIPVSDYBSJA-UHFFFAOYSA-N	0	0	441.244	5.520	50	30		IKEARN
CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(N(C)C)cc2)CCC3)cc1	ZINC000004108603	568775650	/nfs/dbraw/zinc/77/56/50/568775650.db2.gz	SCJGCKQBZBFASA-WGOQTCKBSA-N	0	0	433.577	5.704	50	30		IKEARN
CC1(C)Cc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)cc2C(=O)C1	ZINC000001301551	568779019	/nfs/dbraw/zinc/77/90/19/568779019.db2.gz	URZQZDUXRVJHBC-UHFFFAOYSA-N	0	0	434.348	5.146	50	30		IKEARN
C[C@H](NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1	ZINC000001304560	568779215	/nfs/dbraw/zinc/77/92/15/568779215.db2.gz	ZTAJNUUCTRKCMJ-HRQGHCQOSA-N	0	0	429.545	5.090	50	30		IKEARN
O=C1/C(=N\c2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1	ZINC000001310244	568779485	/nfs/dbraw/zinc/77/94/85/568779485.db2.gz	IXYNYRDZCVBPMT-WCTVFOPTSA-N	0	0	427.523	5.205	50	30		IKEARN
COc1ccccc1-n1c(SCc2ccc(C#N)cc2)nnc1-c1ccccc1Cl	ZINC000004144719	568781940	/nfs/dbraw/zinc/78/19/40/568781940.db2.gz	DCBKCPVLUXVXGS-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
COc1cc(C(=O)Nc2cc(C#N)ccc2Sc2ccc(C)cc2)cc(OC)c1OC	ZINC000001383039	568784009	/nfs/dbraw/zinc/78/40/09/568784009.db2.gz	QHGBTCQFNNTTFK-UHFFFAOYSA-N	0	0	434.517	5.296	50	30		IKEARN
N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2c(n1)nc(C(F)(F)F)cc2C(F)(F)F	ZINC000001389525	568784934	/nfs/dbraw/zinc/78/49/34/568784934.db2.gz	FGFBGJULTWVNAN-LBPRGKRZSA-N	0	0	426.276	5.231	50	30		IKEARN
COc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2OC)cc1	ZINC000004184563	568787345	/nfs/dbraw/zinc/78/73/45/568787345.db2.gz	BBRMEOCLDGFBQQ-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016731472	568792541	/nfs/dbraw/zinc/79/25/41/568792541.db2.gz	IVDPNZJDFYAFMR-XMMPIXPASA-N	0	0	444.506	5.431	50	30		IKEARN
CCOc1ccc(C2N=NC(=S)N2NN=Cc2c3ccccc3cc3ccccc32)cc1	ZINC000016789657	568792806	/nfs/dbraw/zinc/79/28/06/568792806.db2.gz	WPSSPCAABJONCJ-WGOQTCKBSA-N	0	0	439.544	5.517	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2	ZINC000001424706	568793769	/nfs/dbraw/zinc/79/37/69/568793769.db2.gz	WGADOOZKZYOCEQ-PUAOIOHZSA-N	0	0	436.467	5.515	50	30		IKEARN
CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl	ZINC000019202037	568793942	/nfs/dbraw/zinc/79/39/42/568793942.db2.gz	ILQVPHGLJPFAMX-RTBURBONSA-N	0	0	430.162	6.096	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001427285	568793947	/nfs/dbraw/zinc/79/39/47/568793947.db2.gz	SQHYDVPMWNWVHI-CRICUBBOSA-N	0	0	441.556	5.143	50	30		IKEARN
CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@H]1c1ccc(Cl)cc1Cl	ZINC000019202049	568793978	/nfs/dbraw/zinc/79/39/78/568793978.db2.gz	ILQVPHGLJPFAMX-OALUTQOASA-N	0	0	430.162	6.096	50	30		IKEARN
CN(C)N1C(=O)C[C@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	ZINC000001430112	568794316	/nfs/dbraw/zinc/79/43/16/568794316.db2.gz	PBTQKDHOKIUUQU-DOTOQJQBSA-N	0	0	429.347	5.187	50	30		IKEARN
CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	ZINC000001430113	568794416	/nfs/dbraw/zinc/79/44/16/568794416.db2.gz	PBTQKDHOKIUUQU-RDJZCZTQSA-N	0	0	429.347	5.187	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccsc1	ZINC000001429677	568794506	/nfs/dbraw/zinc/79/45/06/568794506.db2.gz	WQHQQWGORFXHFO-MRXNPFEDSA-N	0	0	436.602	5.724	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)N(c2sc3c(c2C#N)CCCC3)C2=C1C(=O)CCC2	ZINC000001430773	568794533	/nfs/dbraw/zinc/79/45/33/568794533.db2.gz	OVFUNMHMPDLFNT-QGZVFWFLSA-N	0	0	432.545	5.035	50	30		IKEARN
Oc1c(I)cccc1/C=N/c1ccc2oc(-c3ccccc3)nc2c1	ZINC000001433848	568795656	/nfs/dbraw/zinc/79/56/56/568795656.db2.gz	MAPNXSLHDIZZGA-WSDLNYQXSA-N	0	0	440.240	5.556	50	30		IKEARN
N#Cc1sc(-c2cccc(Cl)c2)cc1NC(=O)CC[C@@H]1Cc2ccccc2NC1=O	ZINC000084579386	568799038	/nfs/dbraw/zinc/79/90/38/568799038.db2.gz	NAFHPBJNPRFUPK-MRXNPFEDSA-N	0	0	435.936	5.470	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1OCC	ZINC000003768788	568803574	/nfs/dbraw/zinc/80/35/74/568803574.db2.gz	KQQOATJNMIUHCX-KGENOOAVSA-N	0	0	425.575	5.673	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2	ZINC000103554761	568806744	/nfs/dbraw/zinc/80/67/44/568806744.db2.gz	FFPWFNSTHNZZLR-FDSZKQNJSA-N	0	0	448.636	6.356	50	30	biogenic	IKEARN
C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1)c1ccccc1	ZINC000008434842	568812857	/nfs/dbraw/zinc/81/28/57/568812857.db2.gz	JMKTWGKUZAVBOE-UHFFFAOYSA-N	0	0	433.489	5.203	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2	ZINC000008452648	568812908	/nfs/dbraw/zinc/81/29/08/568812908.db2.gz	VFNQPQLDBNDLTA-LJFZDNNRSA-N	0	0	448.636	6.666	50	30		IKEARN
C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1	ZINC000008433407	568812947	/nfs/dbraw/zinc/81/29/47/568812947.db2.gz	VJQCCQHXCAKKGA-UHFFFAOYSA-N	0	0	440.490	6.805	50	30		IKEARN
C=C(C)CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4	ZINC000008742635	568816333	/nfs/dbraw/zinc/81/63/33/568816333.db2.gz	YRQQONMXMQARGJ-UHFFFAOYSA-N	0	0	438.647	6.178	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c(OC)c1	ZINC000001448040	568817519	/nfs/dbraw/zinc/81/75/19/568817519.db2.gz	SZYVKFVRUYQEGK-RMORIDSASA-N	0	0	440.854	5.692	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1C	ZINC000009500191	568818831	/nfs/dbraw/zinc/81/88/31/568818831.db2.gz	OWKWRPVCDMNOPV-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009497116	568818847	/nfs/dbraw/zinc/81/88/47/568818847.db2.gz	SDSFXVLNHZHGPF-UHFFFAOYSA-N	0	0	431.527	6.740	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(Cl)cc1	ZINC000009478367	568818881	/nfs/dbraw/zinc/81/88/81/568818881.db2.gz	CKCHEFNBHAYCKP-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCN(CC=C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CC[C@@H](C(C)(C)C)C2	ZINC000009994663	568819667	/nfs/dbraw/zinc/81/96/67/568819667.db2.gz	MZAPZNQSLWJYLY-MRXNPFEDSA-N	0	0	442.650	6.027	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1ccc(F)cc1	ZINC000006077152	568821201	/nfs/dbraw/zinc/82/12/01/568821201.db2.gz	XAYYHUCDEMJUOB-SANMLTNESA-N	0	0	440.518	6.279	50	30		IKEARN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)nc1C	ZINC000001480037	568824062	/nfs/dbraw/zinc/82/40/62/568824062.db2.gz	NYBXNMGBHFAUHO-FQEVSTJZSA-N	0	0	446.528	5.054	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(Cl)c1	ZINC000013805720	568824089	/nfs/dbraw/zinc/82/40/89/568824089.db2.gz	LIROWGCGBPQLRG-MRXNPFEDSA-N	0	0	441.000	6.029	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(OC)cc1	ZINC000013804917	568824100	/nfs/dbraw/zinc/82/41/00/568824100.db2.gz	KGWXJVWJIBIDAN-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(=S)NC2=O)cc1C	ZINC000013785470	568824108	/nfs/dbraw/zinc/82/41/08/568824108.db2.gz	BHWDXUGRKZDAQU-MOSHPQCFSA-N	0	0	433.558	5.742	50	30		IKEARN
CC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C	ZINC000001480038	568824152	/nfs/dbraw/zinc/82/41/52/568824152.db2.gz	NYBXNMGBHFAUHO-HXUWFJFHSA-N	0	0	446.528	5.054	50	30		IKEARN
C=CCc1ccccc1OCCOc1ccc(Cl)cc1/C=C1/SC(=S)N(C)C1=O	ZINC000013896320	568824611	/nfs/dbraw/zinc/82/46/11/568824611.db2.gz	PJLWIOJMHAQWLI-XSFVSMFZSA-N	0	0	445.993	5.357	50	30		IKEARN
C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1	ZINC000014069303	568824732	/nfs/dbraw/zinc/82/47/32/568824732.db2.gz	PQCFORSISUTZBS-NRFANRHFSA-N	0	0	445.523	5.137	50	30		IKEARN
C=CCN(C(=O)c1cccc(OCc2cscn2)c1)c1nc(-c2ccccc2)cs1	ZINC000014197014	568824890	/nfs/dbraw/zinc/82/48/90/568824890.db2.gz	NKGJPUPFDVOVBS-UHFFFAOYSA-N	0	0	433.558	5.678	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000085581354	568825371	/nfs/dbraw/zinc/82/53/71/568825371.db2.gz	ZBDHRZXECHFPSJ-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OCC	ZINC000015930505	568828886	/nfs/dbraw/zinc/82/88/86/568828886.db2.gz	LUQDOVXUQLFKQV-WOJGMQOQSA-N	0	0	431.319	5.763	50	30		IKEARN
C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000016729081	568830132	/nfs/dbraw/zinc/83/01/32/568830132.db2.gz	QSMKSFTYQKHACJ-UHFFFAOYSA-N	0	0	426.463	6.496	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCC(=O)Nc1cccc2ccccc21)CCC3	ZINC000000628515	568832006	/nfs/dbraw/zinc/83/20/06/568832006.db2.gz	TWULKHZKCIIPLC-UHFFFAOYSA-N	0	0	447.585	5.017	50	30		IKEARN
C=CCn1c(CNc2ccc(C)cc2)nnc1SCc1cccc(Br)c1	ZINC000000673506	568832075	/nfs/dbraw/zinc/83/20/75/568832075.db2.gz	VZXDETNBDZLQKG-UHFFFAOYSA-N	0	0	429.387	5.439	50	30		IKEARN
COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1OC	ZINC000001501449	568832213	/nfs/dbraw/zinc/83/22/13/568832213.db2.gz	VGRJLELFCNHQMK-ZVHZXABRSA-N	0	0	426.310	5.513	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccc(Cl)cc1)sc1c2CCCC1	ZINC000000826960	568832429	/nfs/dbraw/zinc/83/24/29/568832429.db2.gz	HWZBZCMMNSVFEZ-UHFFFAOYSA-N	0	0	430.982	5.151	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@@H](C)C3	ZINC000000985912	568832623	/nfs/dbraw/zinc/83/26/23/568832623.db2.gz	BDJRADCDPIEVTP-OAHLLOKOSA-N	0	0	426.607	5.460	50	30		IKEARN
C=CCc1cccc2cc(C(=O)Nc3cccc(-c4cn5cccc(C)c5n4)c3)c(=O)oc21	ZINC000001064096	568832979	/nfs/dbraw/zinc/83/29/79/568832979.db2.gz	WVDBOGPSMQHNLU-UHFFFAOYSA-N	0	0	435.483	5.397	50	30		IKEARN
C=CCc1cc(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cc(OC)c1O	ZINC000001135982	568833323	/nfs/dbraw/zinc/83/33/23/568833323.db2.gz	LCPKKKLPZYJXGV-ZDLGFXPLSA-N	0	0	447.965	5.197	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl	ZINC000001124675	568833345	/nfs/dbraw/zinc/83/33/45/568833345.db2.gz	SEYXWBFDICIKQK-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	ZINC000001111576	568833480	/nfs/dbraw/zinc/83/34/80/568833480.db2.gz	RZUZOPXILXMCIW-UHFFFAOYSA-N	0	0	446.981	5.170	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(CC)cc2c1=O	ZINC000001177253	568833494	/nfs/dbraw/zinc/83/34/94/568833494.db2.gz	JBHYHQLOQCJRLG-UHFFFAOYSA-N	0	0	445.418	5.550	50	30		IKEARN
O=C(Nc1cccc(OC(F)(F)F)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	ZINC000026070505	568834282	/nfs/dbraw/zinc/83/42/82/568834282.db2.gz	RMIRWTCMVTZAER-UHFFFAOYSA-N	0	0	433.283	5.181	50	30		IKEARN
C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)[C@@H](C)CCC3	ZINC000001833406	568834295	/nfs/dbraw/zinc/83/42/95/568834295.db2.gz	NPBOWTNVEQIBAF-HNNXBMFYSA-N	0	0	436.606	5.511	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3	ZINC000002271074	568834845	/nfs/dbraw/zinc/83/48/45/568834845.db2.gz	ZYJRLIUIYRRYRO-SFHVURJKSA-N	0	0	438.662	6.477	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl	ZINC000002208277	568834878	/nfs/dbraw/zinc/83/48/78/568834878.db2.gz	ZHNXOZGJWAKTPQ-UHFFFAOYSA-N	0	0	439.393	5.154	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nc2sc(C)c(C)c2c1=O	ZINC000002381810	568835008	/nfs/dbraw/zinc/83/50/08/568835008.db2.gz	RSFBQXSHUDDRBK-UHFFFAOYSA-N	0	0	448.013	5.262	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl	ZINC000002331715	568835053	/nfs/dbraw/zinc/83/50/53/568835053.db2.gz	JKLBFRGBEQXBAW-UHFFFAOYSA-N	0	0	439.393	5.154	50	30		IKEARN
C=CCSc1nc2c(c(-c3ccc(Br)cc3)c1C#N)C(=O)CC(C)(C)C2	ZINC000002372136	568835228	/nfs/dbraw/zinc/83/52/28/568835228.db2.gz	SRPZCPMBPGPHQE-UHFFFAOYSA-N	0	0	427.367	5.816	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1	ZINC000002442033	568835701	/nfs/dbraw/zinc/83/57/01/568835701.db2.gz	XOHICBOFFLQNLQ-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1Cl	ZINC000002450406	568835877	/nfs/dbraw/zinc/83/58/77/568835877.db2.gz	CINQVMIDPMPSEU-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1	ZINC000002446887	568835906	/nfs/dbraw/zinc/83/59/06/568835906.db2.gz	PVAZXYCXSBZOCE-UHFFFAOYSA-N	0	0	426.973	5.441	50	30		IKEARN
CCOc1cc(Br)c(Br)c(/C=N/c2cccc(Cl)c2)c1O	ZINC000001509896	568836158	/nfs/dbraw/zinc/83/61/58/568836158.db2.gz	PGZUTYVYBKSRQJ-UFWORHAWSA-N	0	0	433.527	5.720	50	30		IKEARN
O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccco2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000001118593	568836659	/nfs/dbraw/zinc/83/66/59/568836659.db2.gz	FCZJQKYLOUNOCD-LJQANCHMSA-N	0	0	428.271	5.365	50	30		IKEARN
C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)c1ccc(Cl)cc1	ZINC000002510500	568838380	/nfs/dbraw/zinc/83/83/80/568838380.db2.gz	SDDVBGAFXOPTRO-UHFFFAOYSA-N	0	0	429.998	5.693	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)nc1	ZINC000027532836	568838480	/nfs/dbraw/zinc/83/84/80/568838480.db2.gz	DRPXVZFRVWTWGG-OAQYLSRUSA-N	0	0	442.346	5.303	50	30		IKEARN
CCOc1ccc(NC2=C(Cl)C(=O)C(Nc3ccc(OCC)cc3)=C(Cl)C2=O)cc1	ZINC000002143485	568842022	/nfs/dbraw/zinc/84/20/22/568842022.db2.gz	YTVQRYQPFCCLEC-UHFFFAOYSA-N	0	0	447.318	5.061	50	30		IKEARN
CSc1nc(NCCOC(=O)C(C)(C)C)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1	ZINC000015831986	568842228	/nfs/dbraw/zinc/84/22/28/568842228.db2.gz	SNRRGCYDJHJCBM-UHFFFAOYSA-N	0	0	426.586	5.036	50	30		IKEARN
COc1cc(C=Nc2ccc(Cl)c(Cl)c2)ccc1OC(=O)Nc1cccc(Cl)c1	ZINC000002173845	568842246	/nfs/dbraw/zinc/84/22/46/568842246.db2.gz	PGBYATWTRARJNM-BRJLIKDPSA-N	0	0	449.721	7.017	50	30		IKEARN
O=C(Nc1cccc2c(NC(=O)ON=C3CCCCC3)cccc12)ON=C1CCCCC1	ZINC000025692463	568842580	/nfs/dbraw/zinc/84/25/80/568842580.db2.gz	PYBRNGOWMBOWTC-UHFFFAOYSA-N	0	0	436.512	6.577	50	30		IKEARN
C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1	ZINC000071786330	568843357	/nfs/dbraw/zinc/84/33/57/568843357.db2.gz	CQXWQXWSQQSTQB-HDMDDYEVSA-N	0	0	428.594	5.253	50	30		IKEARN
CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000100061159	568843379	/nfs/dbraw/zinc/84/33/79/568843379.db2.gz	LCWOHEQEDRUWFP-UHFFFAOYSA-N	0	0	426.623	6.354	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)CCC(=O)N(CCC#N)CCC#N	ZINC000100684584	568843406	/nfs/dbraw/zinc/84/34/06/568843406.db2.gz	KIRKIFVRLQTIHA-UHFFFAOYSA-N	0	0	446.680	6.020	50	30		IKEARN
C=C[C@]1(C)C[C@H]([C@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1	ZINC000071786331	568843513	/nfs/dbraw/zinc/84/35/13/568843513.db2.gz	CQXWQXWSQQSTQB-HLEJILCDSA-N	0	0	428.594	5.253	50	30		IKEARN
C=C1C[C@@H]2[C@@H](C[C@H](C)[C@H]2OCc2ccc(OC)cc2)[C@@]2(O)[C@H]1C[C@H]1C(C)(C)CC(=O)[C@@]12C	ZINC000071786755	568843538	/nfs/dbraw/zinc/84/35/38/568843538.db2.gz	QIHUPRXUAFZFNA-WCFBQBBRSA-N	0	0	438.608	5.185	50	30		IKEARN
CCCCCCCCCCOc1ccc([N+](=O)[O-])cc1CNc1cccc(Cl)c1C	ZINC000101016023	568843578	/nfs/dbraw/zinc/84/35/78/568843578.db2.gz	QVSQMUMIIKKALF-UHFFFAOYSA-N	0	0	432.992	7.688	50	30		IKEARN
CCCCCCCCCCCCCCCC[C@@H](S)C(=O)Nc1ccc(Cl)cc1	ZINC000101017937	568843665	/nfs/dbraw/zinc/84/36/65/568843665.db2.gz	SGYOJHLVFNCXPP-HSZRJFAPSA-N	0	0	426.110	8.448	50	30		IKEARN
O=C1CCCC(=O)C1[C@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12	ZINC000101082259	568843672	/nfs/dbraw/zinc/84/36/72/568843672.db2.gz	UXFUODISDMCESE-MALKISGLSA-N	0	0	438.592	7.010	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc(-c2ccccc2)cc1	ZINC000101020068	568843702	/nfs/dbraw/zinc/84/37/02/568843702.db2.gz	KPNVLRCXTPFZOQ-UHFFFAOYSA-N	0	0	436.680	9.521	50	30		IKEARN
CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N	ZINC000006134514	568844813	/nfs/dbraw/zinc/84/48/13/568844813.db2.gz	JJLIDQBSPIEYDR-DEOSSOPVSA-N	0	0	446.572	6.120	50	30		IKEARN
Cc1cccc(N=C2C=C(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1	ZINC000006133473	568844987	/nfs/dbraw/zinc/84/49/87/568844987.db2.gz	BBXRIIAIOYPUKD-YYADALCUSA-N	0	0	436.920	5.019	50	30		IKEARN
CC1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1	ZINC000006172524	568850918	/nfs/dbraw/zinc/85/09/18/568850918.db2.gz	DPCPTISPIMFHIU-PWDIZTEBSA-N	0	0	446.182	6.678	50	30		IKEARN
CC1=C(C#Cc2ccccc2)c2ccccc2O[C@@]1(NCc1ccccc1)c1ccccc1	ZINC000019534892	568854629	/nfs/dbraw/zinc/85/46/29/568854629.db2.gz	IHOKZJJHJWKVFD-WJOKGBTCSA-N	0	0	427.547	6.547	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccccc1OCC	ZINC000019637559	568854914	/nfs/dbraw/zinc/85/49/14/568854914.db2.gz	GQQOZHSNAQIHRV-UHFFFAOYSA-N	0	0	442.972	5.222	50	30		IKEARN
CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2	ZINC000019638818	568854936	/nfs/dbraw/zinc/85/49/36/568854936.db2.gz	CSPAKWLFOPDOMO-OAQYLSRUSA-N	0	0	443.568	5.576	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(Cl)cc3)cc2)SC1=S	ZINC000019799103	568855078	/nfs/dbraw/zinc/85/50/78/568855078.db2.gz	IMLFGUSTQOTZKB-HMMYKYKNSA-N	0	0	445.993	5.575	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(Cc1ccccc1)C3	ZINC000019851281	568855393	/nfs/dbraw/zinc/85/53/93/568855393.db2.gz	UOSFFHVYQFGKGG-UHFFFAOYSA-N	0	0	445.613	5.284	50	30		IKEARN
C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1OC	ZINC000023011494	568859265	/nfs/dbraw/zinc/85/92/65/568859265.db2.gz	JGQMVRMZGQYQPF-MHWRWJLKSA-N	0	0	443.503	5.556	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)C(=O)c1csc(-c2cccc(OC)c2OC)n1	ZINC000029599343	568865455	/nfs/dbraw/zinc/86/54/55/568865455.db2.gz	CABMPJQPOOZFME-UHFFFAOYSA-N	0	0	434.970	5.371	50	30		IKEARN
CCCCCCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC	ZINC000016035621	568867815	/nfs/dbraw/zinc/86/78/15/568867815.db2.gz	JZQUDYXBJCQZOK-HSZRJFAPSA-N	0	0	438.593	5.330	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@@H](C#N)[C@@]2(O)C1	ZINC000017299291	568875778	/nfs/dbraw/zinc/87/57/78/568875778.db2.gz	IKAYYSYGCHKPAB-FCUQQOBWSA-N	0	0	443.716	6.987	50	30		IKEARN
C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000006191015	568876470	/nfs/dbraw/zinc/87/64/70/568876470.db2.gz	QZAMGFJJNXJINQ-UHFFFAOYSA-N	0	0	447.575	5.023	50	30		IKEARN
Cc1ccc(CSc2nc(-c3ccc(C)cc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1	ZINC000006245065	568880737	/nfs/dbraw/zinc/88/07/37/568880737.db2.gz	OPAPOOPFUJXHSP-UHFFFAOYSA-N	0	0	440.999	7.850	50	30		IKEARN
COc1cccc(/C=C/C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)c1	ZINC000006282966	568881935	/nfs/dbraw/zinc/88/19/35/568881935.db2.gz	JLYBIWMRLQKUMJ-JLHYYAGUSA-N	0	0	426.428	5.008	50	30		IKEARN
CCC(=[NH+]CCc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000102441336	568884958	/nfs/dbraw/zinc/88/49/58/568884958.db2.gz	PVUUIVVSEAHGHG-CVKSISIWSA-N	0	0	444.482	5.648	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)ccc2C#N)cc1	ZINC000016382241	568885749	/nfs/dbraw/zinc/88/57/49/568885749.db2.gz	JRLFMUPXJYWWIY-UHFFFAOYSA-N	0	0	433.577	5.160	50	30		IKEARN
C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1	ZINC000013633744	568892987	/nfs/dbraw/zinc/89/29/87/568892987.db2.gz	BHUNOURHCFITPO-GTWSWNCMSA-N	0	0	449.510	6.173	50	30		IKEARN
CCCCOc1ccc(/C=C2/CN(CC)C/C(=C/c3ccc(OCCCC)cc3)C2=O)cc1	ZINC000033692498	568896065	/nfs/dbraw/zinc/89/60/65/568896065.db2.gz	YLBPZFUDYOLCMF-DQIQZUARSA-N	0	0	447.619	6.416	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C(/C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1	ZINC000097981610	568899853	/nfs/dbraw/zinc/89/98/53/568899853.db2.gz	DLMGCQGOUGKKMW-ULJHMMPZSA-N	0	0	441.999	6.999	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000104086770	568901483	/nfs/dbraw/zinc/90/14/83/568901483.db2.gz	NXUKRGQBLOKKPD-JBCNATCCSA-N	0	0	448.316	5.384	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(C(=O)C(=O)c4ccccc4)cc3)sc2C1	ZINC000001771062	568905965	/nfs/dbraw/zinc/90/59/65/568905965.db2.gz	BIZJNXZVDYTJMX-OAHLLOKOSA-N	0	0	428.513	5.062	50	30		IKEARN
C=C(Br)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3	ZINC000001815304	568915340	/nfs/dbraw/zinc/91/53/40/568915340.db2.gz	DQEQOPIWUNQERE-UHFFFAOYSA-N	0	0	434.428	6.242	50	30		IKEARN
N#Cc1ccc(Oc2ccc(Oc3ccc(C#N)c(C#N)c3)c(C3CCCCC3)c2)cc1C#N	ZINC000001851076	568916612	/nfs/dbraw/zinc/91/66/12/568916612.db2.gz	QFHUSFGLZOUCMY-UHFFFAOYSA-N	0	0	444.494	6.806	50	30		IKEARN
C=CC#CC(C)(C)c1ccc(Oc2nc(Oc3ccccc3)nc(Oc3ccccc3)n2)cc1	ZINC000001875500	568917298	/nfs/dbraw/zinc/91/72/98/568917298.db2.gz	FHYOTDSREMMDFW-UHFFFAOYSA-N	0	0	449.510	6.716	50	30		IKEARN
CCOc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O	ZINC000001883289	568917519	/nfs/dbraw/zinc/91/75/19/568917519.db2.gz	UMEVUHFVSWXQLC-DNTJNYDQSA-N	0	0	447.554	6.028	50	30		IKEARN
Cc1ccc(Nc2oc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)nc2C#N)cc1	ZINC000026841695	568917914	/nfs/dbraw/zinc/91/79/14/568917914.db2.gz	OEMWCMDAJUMLFI-CPNJWEJPSA-N	0	0	446.557	5.042	50	30		IKEARN
O=C(Oc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1)c1ccc(Cl)cc1	ZINC000006473682	568920043	/nfs/dbraw/zinc/92/00/43/568920043.db2.gz	CTWRELATGGZUTG-ZHZULCJRSA-N	0	0	434.904	5.451	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1	ZINC000006474348	568920044	/nfs/dbraw/zinc/92/00/44/568920044.db2.gz	DZGNLVWDRFZVFH-UHFFFAOYSA-N	0	0	440.955	6.916	50	30		IKEARN
CC(C)(C)c1ccc2oc(-c3ccc(/N=C/C=C/c4ccc([N+](=O)[O-])cc4)cc3)nc2c1	ZINC000001921061	568923259	/nfs/dbraw/zinc/92/32/59/568923259.db2.gz	OKWZDIYDMBCAMI-BLZGDTNESA-N	0	0	425.488	7.116	50	30		IKEARN
COc1ncnc2c1N=C1CC(C)(C)CC(N/N=C/c3ccc(Cl)cc3Cl)=C1S2	ZINC000001957934	568924063	/nfs/dbraw/zinc/92/40/63/568924063.db2.gz	BSVRELIEJXKACP-YCPBAFNGSA-N	0	0	448.379	5.626	50	30		IKEARN
CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)c(Cl)c2)cc1	ZINC000002022866	568928368	/nfs/dbraw/zinc/92/83/68/568928368.db2.gz	VMHZPWQTARQKDE-UHFFFAOYSA-N	0	0	447.918	6.383	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(O)cc1)CCCC2	ZINC000002027087	568928451	/nfs/dbraw/zinc/92/84/51/568928451.db2.gz	ZDIVVSJUGNPQDO-UHFFFAOYSA-N	0	0	434.948	5.833	50	30		IKEARN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1	ZINC000027024035	568939243	/nfs/dbraw/zinc/93/92/43/568939243.db2.gz	AEANKSPMVRBIJY-OAQYLSRUSA-N	0	0	447.512	5.016	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	ZINC000002058708	568940976	/nfs/dbraw/zinc/94/09/76/568940976.db2.gz	KJZCEIBBKCYJNY-ZDLGFXPLSA-N	0	0	436.385	5.960	50	30		IKEARN
Cc1ccc(C(=O)N[C@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1	ZINC000002067287	568941156	/nfs/dbraw/zinc/94/11/56/568941156.db2.gz	YNZGDDLQVZDYAZ-GOSISDBHSA-N	0	0	442.799	5.345	50	30		IKEARN
CCCN1c2ccc(-c3noc(-c4ccc(C#N)cc4)n3)cc2Sc2ccccc2C1=O	ZINC000064980188	569078407	/nfs/dbraw/zinc/07/84/07/569078407.db2.gz	GWJGLHGAIWLTHD-UHFFFAOYSA-N	0	0	438.512	5.797	50	30		IKEARN
COc1ccc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	ZINC000006924755	569110184	/nfs/dbraw/zinc/11/01/84/569110184.db2.gz	BIRITQJQAYKAJL-DHRITJCHSA-N	0	0	427.485	5.524	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F	ZINC000036611973	569123567	/nfs/dbraw/zinc/12/35/67/569123567.db2.gz	FHIHDASURXFVSB-QQBMZTOHSA-N	0	0	444.585	7.913	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238882225	569137583	/nfs/dbraw/zinc/13/75/83/569137583.db2.gz	CUSNQPJPCUMNGJ-MIZPHKNDSA-N	0	0	434.490	5.345	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238882227	569137631	/nfs/dbraw/zinc/13/76/31/569137631.db2.gz	CUSNQPJPCUMNGJ-MZKRTTBSSA-N	0	0	434.490	5.345	50	30		IKEARN
C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12	ZINC000010025375	569151568	/nfs/dbraw/zinc/15/15/68/569151568.db2.gz	YYRXGPKQVQOKCL-UHFFFAOYSA-N	0	0	431.586	5.665	50	30		IKEARN
Cc1cc(C(F)(F)F)c(C#N)c(SC(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)n1	ZINC000013578791	569156018	/nfs/dbraw/zinc/15/60/18/569156018.db2.gz	ZZFPOKISAAIMIY-UHFFFAOYSA-N	0	0	438.431	5.007	50	30		IKEARN
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1	ZINC000016729262	569160530	/nfs/dbraw/zinc/16/05/30/569160530.db2.gz	PIVKPAZPWLJPCA-UHFFFAOYSA-N	0	0	432.442	6.469	50	30		IKEARN
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1	ZINC000016729037	569160542	/nfs/dbraw/zinc/16/05/42/569160542.db2.gz	UGEZGKGHFXYRKP-UHFFFAOYSA-N	0	0	448.897	6.983	50	30		IKEARN
CCCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)OCC)n2)cc1	ZINC000016729017	569160543	/nfs/dbraw/zinc/16/05/43/569160543.db2.gz	DMRPJZVMZAPDDI-UHFFFAOYSA-N	0	0	438.471	5.473	50	30		IKEARN
N#Cc1c(N[C@@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002071607	569162057	/nfs/dbraw/zinc/16/20/57/569162057.db2.gz	OJELFPXQWGAYBY-QGZVFWFLSA-N	0	0	428.772	5.037	50	30		IKEARN
C=CCn1c(=O)c2[nH]c3ccccc3c2nc1SCc1ccc(Br)cc1	ZINC000016890316	569165415	/nfs/dbraw/zinc/16/54/15/569165415.db2.gz	XBRRWPXJQPVKAB-UHFFFAOYSA-N	0	0	426.339	5.119	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12	ZINC000016956677	569167482	/nfs/dbraw/zinc/16/74/82/569167482.db2.gz	CKVDPHQYKOMKDF-LHSJRXKWSA-N	0	0	449.436	5.194	50	30		IKEARN
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1	ZINC000017097326	569172850	/nfs/dbraw/zinc/17/28/50/569172850.db2.gz	MCSNZOBIVIMKIB-LSDHHAIUSA-N	0	0	431.001	6.139	50	30		IKEARN
COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC	ZINC000001060679	569176631	/nfs/dbraw/zinc/17/66/31/569176631.db2.gz	TWFIOUYTMFCUQM-DEOSSOPVSA-N	0	0	425.488	5.334	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2ccsc2)n1	ZINC000001079420	569176727	/nfs/dbraw/zinc/17/67/27/569176727.db2.gz	MZPAAWHGHGFLMU-UZUQRXQVSA-N	0	0	445.544	5.045	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000504564160	569177135	/nfs/dbraw/zinc/17/71/35/569177135.db2.gz	LHZZMHLXKOFUGQ-PZLURSOGSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3Br)sc2C1	ZINC000002085380	569177292	/nfs/dbraw/zinc/17/72/92/569177292.db2.gz	KOSXHTIJZPIAFL-ZDUSSCGKSA-N	0	0	431.399	6.176	50	30		IKEARN
N#Cc1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCCCCC2	ZINC000002088491	569177325	/nfs/dbraw/zinc/17/73/25/569177325.db2.gz	LJZHNGISTSLZJE-UHFFFAOYSA-N	0	0	435.401	7.053	50	30		IKEARN
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C#N)CCCCCC2	ZINC000002095584	569178647	/nfs/dbraw/zinc/17/86/47/569178647.db2.gz	ZYOACJCWPUYMAG-UHFFFAOYSA-N	0	0	425.941	6.148	50	30		IKEARN
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c1	ZINC000002096983	569179275	/nfs/dbraw/zinc/17/92/75/569179275.db2.gz	KNBMYWVAPSSGIJ-UUYOSTAYSA-N	0	0	436.847	5.193	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)cc1OC	ZINC000002099362	569179533	/nfs/dbraw/zinc/17/95/33/569179533.db2.gz	WGQLEMLRIHKREA-UUYOSTAYSA-N	0	0	436.847	5.193	50	30	biogenic	IKEARN
CC(C)(C)NC(=O)c1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000027132384	569179570	/nfs/dbraw/zinc/17/95/70/569179570.db2.gz	SQIMEHPZUAUYAC-UHFFFAOYSA-N	0	0	429.545	5.490	50	30		IKEARN
CCOC(=O)c1ccc(/N=C/c2ccc(/C=N/c3ccc(C(=O)OCC)cc3)cc2)cc1	ZINC000001229113	569180439	/nfs/dbraw/zinc/18/04/39/569180439.db2.gz	XXNPRFBDAFEAHG-XUIWWLCJSA-N	0	0	428.488	5.541	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccco1	ZINC000002359534	569180802	/nfs/dbraw/zinc/18/08/02/569180802.db2.gz	UEPHFELYFHOVBE-UHFFFAOYSA-N	0	0	432.505	5.247	50	30		IKEARN
CC1=CN2[C@H](c3ccccc31)C(C#N)(C#N)[C@@H](c1cccc(F)c1)[C@H]2C(=O)c1ccccc1	ZINC000252427245	569183277	/nfs/dbraw/zinc/18/32/77/569183277.db2.gz	YKULJWZFIDEUIU-OHSXHVKISA-N	0	0	433.486	5.626	50	30		IKEARN
O=C(Oc1ccc(C=Nc2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1	ZINC000252444348	569183844	/nfs/dbraw/zinc/18/38/44/569183844.db2.gz	HNUJTVKVVMFJES-UHFFFAOYSA-N	0	0	435.819	5.715	50	30		IKEARN
COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@H]1C)C2=O	ZINC000002127513	569184169	/nfs/dbraw/zinc/18/41/69/569184169.db2.gz	RTEUYVDLVWAUKU-VHQYDUIRSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
Cc1nc2ccccc2c(=O)n1N=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	ZINC000252452498	569184296	/nfs/dbraw/zinc/18/42/96/569184296.db2.gz	LWIPQJSHOBYWHE-UHFFFAOYSA-N	0	0	445.482	5.186	50	30		IKEARN
COc1cc(C=Nc2cccc3c(N=Cc4ccc(O)c(OC)c4)cccc23)ccc1O	ZINC000252461291	569184510	/nfs/dbraw/zinc/18/45/10/569184510.db2.gz	LVVWFLKLTXIKCR-UHFFFAOYSA-N	0	0	426.472	5.769	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4cccc(C)c4)cc3)n2)cc1	ZINC000252461053	569184515	/nfs/dbraw/zinc/18/45/15/569184515.db2.gz	KFEZUKLYFFFVLZ-UHFFFAOYSA-N	0	0	427.529	6.092	50	30		IKEARN
CCN(CC)c1ccc(N=Cc2ccc(C=Nc3ccc(N(CC)CC)cc3)cc2)cc1	ZINC000252461177	569184575	/nfs/dbraw/zinc/18/45/75/569184575.db2.gz	LCKWPSBPFIXAGK-UHFFFAOYSA-N	0	0	426.608	6.880	50	30		IKEARN
COc1cc(OC)c(C=Nc2ccccc2C(=O)Nc2ccccc2)cc1Br	ZINC000252463072	569184823	/nfs/dbraw/zinc/18/48/23/569184823.db2.gz	YQQCBNKRCOUEET-UHFFFAOYSA-N	0	0	439.309	5.469	50	30		IKEARN
COc1ccc(COc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)cc1	ZINC000002131666	569184887	/nfs/dbraw/zinc/18/48/87/569184887.db2.gz	HXUSHXYODUVSHP-VHQYDUIRSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)cc1	ZINC000002133406	569185099	/nfs/dbraw/zinc/18/50/99/569185099.db2.gz	JFDAJWXBYOTKBR-OOHHOYHOSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
CCCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1	ZINC000002553258	569185839	/nfs/dbraw/zinc/18/58/39/569185839.db2.gz	RZLQXWZBYWWYHG-NLRVBDNBSA-N	0	0	447.560	5.405	50	30		IKEARN
N#Cc1cc(Br)c(OC(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1	ZINC000002154366	569187202	/nfs/dbraw/zinc/18/72/02/569187202.db2.gz	BJBIMPQRMXMKGZ-UHFFFAOYSA-N	0	0	449.913	5.609	50	30		IKEARN
C=Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C3=O)cc1	ZINC000002157041	569187546	/nfs/dbraw/zinc/18/75/46/569187546.db2.gz	FPWWIQHWTKLTRM-FMCGGJTJSA-N	0	0	444.483	5.551	50	30	biogenic	IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1	ZINC000002184908	569190495	/nfs/dbraw/zinc/19/04/95/569190495.db2.gz	NIVJVGWEIQFBNK-HAHDFKILSA-N	0	0	430.529	5.474	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1	ZINC000002193654	569190758	/nfs/dbraw/zinc/19/07/58/569190758.db2.gz	ZABZCKZOXNRPKG-UHFFFAOYSA-N	0	0	439.599	6.572	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1	ZINC000252590151	569191720	/nfs/dbraw/zinc/19/17/20/569191720.db2.gz	APVAUAKEHDSZPH-NARSBJQYSA-N	0	0	442.584	6.370	50	30		IKEARN
COc1cc(C=Nc2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000252589201	569191726	/nfs/dbraw/zinc/19/17/26/569191726.db2.gz	AILCSCVIQHGIHK-UHFFFAOYSA-N	0	0	443.415	6.208	50	30		IKEARN
C=CCn1cc(/C=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21	ZINC000252590559	569191752	/nfs/dbraw/zinc/19/17/52/569191752.db2.gz	ATHHIMMRTKFDOV-SBEYKLCGSA-N	0	0	435.552	6.636	50	30		IKEARN
Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-]	ZINC000252592254	569192722	/nfs/dbraw/zinc/19/27/22/569192722.db2.gz	BEEOUECHRQGAQE-UHFFFAOYSA-N	0	0	447.232	5.214	50	30		IKEARN
O=C1N[C@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252593553	569192857	/nfs/dbraw/zinc/19/28/57/569192857.db2.gz	BKVSGKFSOGKEMG-NRFANRHFSA-N	0	0	427.451	6.052	50	30		IKEARN
CCOCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1	ZINC000252594365	569192946	/nfs/dbraw/zinc/19/29/46/569192946.db2.gz	BRYNBLNOQPNQEA-IZYVNPKQSA-N	0	0	436.508	5.726	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)SC1=Nc1ccc(C)cc1	ZINC000252595490	569193082	/nfs/dbraw/zinc/19/30/82/569193082.db2.gz	CAUZIJFGNYRKKO-GOSISDBHSA-N	0	0	447.482	5.160	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc(-c3nc4ccccc4o3)cc2C)c1O	ZINC000252594534	569193099	/nfs/dbraw/zinc/19/30/99/569193099.db2.gz	BTERVLSHRYNREA-UHFFFAOYSA-N	0	0	437.293	6.031	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3cc(Br)ccc3O)C(=O)N2CC)cc1	ZINC000252596342	569193317	/nfs/dbraw/zinc/19/33/17/569193317.db2.gz	CILVFJKZIRTHOJ-OUCYFQBSSA-N	0	0	447.354	5.177	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O	ZINC000252596786	569193319	/nfs/dbraw/zinc/19/33/19/569193319.db2.gz	CMKSGDKULPPFME-ARKVWGHASA-N	0	0	430.529	5.826	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3cc(Br)ccc3O)C(=O)N2CC)cc1	ZINC000252596340	569193332	/nfs/dbraw/zinc/19/33/32/569193332.db2.gz	CILVFJKZIRTHOJ-FNLGWUMESA-N	0	0	447.354	5.177	50	30		IKEARN
C[C@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1	ZINC000252597735	569193412	/nfs/dbraw/zinc/19/34/12/569193412.db2.gz	CUNJYZJOJJYKJT-INIZCTEOSA-N	0	0	449.576	6.156	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252599761	569193508	/nfs/dbraw/zinc/19/35/08/569193508.db2.gz	DLGWNTCNKOEYDP-OMSSWJLUSA-N	0	0	430.957	5.761	50	30		IKEARN
CCOc1cccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000252599923	569193593	/nfs/dbraw/zinc/19/35/93/569193593.db2.gz	DMVNZPBABRIATL-DNKROPNVSA-N	0	0	428.557	6.511	50	30		IKEARN
CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1	ZINC000252600892	569193594	/nfs/dbraw/zinc/19/35/94/569193594.db2.gz	DVEURUIBUFCIJC-YOIRLTMBSA-N	0	0	425.513	5.371	50	30		IKEARN
O=[N+]([O-])c1ccccc1/C=C/C=Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000252601043	569193820	/nfs/dbraw/zinc/19/38/20/569193820.db2.gz	DXECUDDQLCOJBO-MKMQZVESSA-N	0	0	438.270	7.126	50	30		IKEARN
CCOC(=O)c1c(N=Cc2ccccc2O)sc(C)c1-c1ccc2cc(OC)ccc2c1	ZINC000252601940	569193875	/nfs/dbraw/zinc/19/38/75/569193875.db2.gz	FEHPCASFCOIWHD-UHFFFAOYSA-N	0	0	445.540	6.518	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC	ZINC000252601413	569193893	/nfs/dbraw/zinc/19/38/93/569193893.db2.gz	FAEGEQUQYWQHDI-GUGSDYAWSA-N	0	0	444.556	6.031	50	30		IKEARN
Cc1cc(Br)c(O)c(C=Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1	ZINC000252601965	569193976	/nfs/dbraw/zinc/19/39/76/569193976.db2.gz	FERNYWQEPLXRLK-UHFFFAOYSA-N	0	0	441.712	6.675	50	30		IKEARN
Cc1ccsc1/C=C1/SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000252602450	569194082	/nfs/dbraw/zinc/19/40/82/569194082.db2.gz	FIJWMXCSVRBIGI-YZWRYSEFSA-N	0	0	432.614	7.099	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccccc1CC	ZINC000252603480	569194159	/nfs/dbraw/zinc/19/41/59/569194159.db2.gz	FSAUDCMJXZUFGS-AIMMPNMZSA-N	0	0	430.548	6.759	50	30		IKEARN
CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1	ZINC000252604108	569194199	/nfs/dbraw/zinc/19/41/99/569194199.db2.gz	FWOUWKBCWFJYME-UHFFFAOYSA-N	0	0	429.915	5.848	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)ON=C1CCc2cc(OC)ccc21	ZINC000252607344	569194751	/nfs/dbraw/zinc/19/47/51/569194751.db2.gz	HAWPHJBFQGNYHZ-UHFFFAOYSA-N	0	0	443.672	8.150	50	30		IKEARN
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccncc4)nc3c2)c1O	ZINC000252608349	569195225	/nfs/dbraw/zinc/19/52/25/569195225.db2.gz	HJPORBLNAOFOCU-UHFFFAOYSA-N	0	0	438.281	5.507	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000252608174	569195280	/nfs/dbraw/zinc/19/52/80/569195280.db2.gz	HHSWCDIMZGCQOS-ZRAGWZJNSA-N	0	0	431.561	6.113	50	30		IKEARN
CCC/N=C1/SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)/C1=N\CCC	ZINC000252611529	569197269	/nfs/dbraw/zinc/19/72/69/569197269.db2.gz	IKJDNYYQMRVVCM-NHLMABGJSA-N	0	0	425.533	5.092	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1	ZINC000252610859	569197316	/nfs/dbraw/zinc/19/73/16/569197316.db2.gz	IEXXONXICYJMNB-CMEWOCMCSA-N	0	0	429.545	5.570	50	30		IKEARN
N#Cc1cnc2c(N=Nc3ccccc3Cl)c(N)nn2c1-c1nc2ccccc2s1	ZINC000252610825	569197328	/nfs/dbraw/zinc/19/73/28/569197328.db2.gz	IDTPYYWCUPVNEC-UHFFFAOYSA-N	0	0	430.884	5.529	50	30		IKEARN
COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)SC1=Nc1ccccc1	ZINC000252614947	569197529	/nfs/dbraw/zinc/19/75/29/569197529.db2.gz	JNZDVOKXDPDMSP-BPNGKYSRSA-N	0	0	436.558	5.681	50	30		IKEARN
CCCCN1c2ccccc2/C(=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)C1=O	ZINC000252614440	569197554	/nfs/dbraw/zinc/19/75/54/569197554.db2.gz	JJIBUHATVABDNO-NRUAZUNZSA-N	0	0	425.941	5.091	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(CC)cc2)SC1=Nc1cccc(Cl)c1C	ZINC000252614608	569197592	/nfs/dbraw/zinc/19/75/92/569197592.db2.gz	JKQDMARGBGWDEQ-HXUWFJFHSA-N	0	0	441.984	5.357	50	30		IKEARN
COc1cccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000252616344	569197629	/nfs/dbraw/zinc/19/76/29/569197629.db2.gz	JZTGGLKGODRTLO-FOQODDTFSA-N	0	0	442.584	6.737	50	30		IKEARN
C(=Nc1ccc2c(c1)oc1ccccc12)c1ccc(Sc2nnnn2-c2ccccc2)o1	ZINC000252617464	569197851	/nfs/dbraw/zinc/19/78/51/569197851.db2.gz	KTGFLPYFSHMHSY-UHFFFAOYSA-N	0	0	437.484	6.057	50	30		IKEARN
Cc1cccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1	ZINC000252618119	569197854	/nfs/dbraw/zinc/19/78/54/569197854.db2.gz	LECXDHANEYQVFW-WPCCGSCNSA-N	0	0	428.513	5.841	50	30		IKEARN
COCCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)SC1=Nc1ccccc1	ZINC000252619434	569198144	/nfs/dbraw/zinc/19/81/44/569198144.db2.gz	LPEWYPMWXQNSGF-ZYITZIQLSA-N	0	0	448.544	5.107	50	30		IKEARN
CC[C@@H](C)Oc1c(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000252619143	569198159	/nfs/dbraw/zinc/19/81/59/569198159.db2.gz	LNIFIALKAWDNAG-GSMYORFVSA-N	0	0	440.565	5.123	50	30		IKEARN
CCN1c2ccc(N=Cc3ccc(-c4ccc(OC(C)=O)cc4)cc3)c3cccc(c23)C1=O	ZINC000252618631	569198169	/nfs/dbraw/zinc/19/81/69/569198169.db2.gz	LIZJKVFMKMYCER-UHFFFAOYSA-N	0	0	434.495	6.163	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000252619647	569198579	/nfs/dbraw/zinc/19/85/79/569198579.db2.gz	LRUUZPFPIVDIFJ-GCNWNYGFSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1OC	ZINC000252619648	569198610	/nfs/dbraw/zinc/19/86/10/569198610.db2.gz	LRUUZPFPIVDIFJ-GUGSDYAWSA-N	0	0	444.556	6.129	50	30		IKEARN
CCCCCCOc1ccc(N=C(C)C(C)=Nc2ccc(OCCCCCC)cc2)cc1	ZINC000252620026	569199008	/nfs/dbraw/zinc/19/90/08/569199008.db2.gz	LWEBAYLOXHIMSF-UHFFFAOYSA-N	0	0	436.640	8.490	50	30		IKEARN
C=CCn1c(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1	ZINC000007734406	569199319	/nfs/dbraw/zinc/19/93/19/569199319.db2.gz	SSJKZCDEZIXVFN-HNNXBMFYSA-N	0	0	425.558	5.424	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c(OC)c1OC	ZINC000002211072	569201235	/nfs/dbraw/zinc/20/12/35/569201235.db2.gz	JKHVYEMGTXQCGK-UUYOSTAYSA-N	0	0	436.435	5.047	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4ccc(F)cc4)nc3c1[C@H]2c1ccccc1	ZINC000002211328	569201353	/nfs/dbraw/zinc/20/13/53/569201353.db2.gz	RHPPHEKNEIPSSG-FQEVSTJZSA-N	0	0	440.478	5.098	50	30		IKEARN
CCCN1C(=O)[C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1	ZINC000252620949	569201497	/nfs/dbraw/zinc/20/14/97/569201497.db2.gz	MPSBIFDWHDQVCH-QGZVFWFLSA-N	0	0	435.471	5.076	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C2\c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C	ZINC000252621217	569201626	/nfs/dbraw/zinc/20/16/26/569201626.db2.gz	MVLAYSHQJMDJKV-OHHJCTMOSA-N	0	0	439.540	5.459	50	30		IKEARN
CCOC(=O)c1cc(CC(C)C)sc1N=Cc1c2c(ccc1O)oc1c2CCCC1	ZINC000252622194	569201867	/nfs/dbraw/zinc/20/18/67/569201867.db2.gz	NQNZIIHCSWWMBK-UHFFFAOYSA-N	0	0	425.550	6.205	50	30		IKEARN
Clc1ccc2nc(-c3ccco3)c(N=Cc3ccc(I)cc3)n2c1	ZINC000252622735	569201873	/nfs/dbraw/zinc/20/18/73/569201873.db2.gz	OBOPCDCUKFZRLP-UHFFFAOYSA-N	0	0	447.663	5.603	50	30		IKEARN
CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000252622347	569201906	/nfs/dbraw/zinc/20/19/06/569201906.db2.gz	NTITWBAYXKMOTE-NARSBJQYSA-N	0	0	442.584	6.526	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3cccc(OC)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252622931	569202063	/nfs/dbraw/zinc/20/20/63/569202063.db2.gz	OGDLPSCUKHXIFJ-OFGWUVNBSA-N	0	0	442.584	6.629	50	30		IKEARN
COc1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1	ZINC000252623617	569202118	/nfs/dbraw/zinc/20/21/18/569202118.db2.gz	OVLXHURMZCFJIJ-UHFFFAOYSA-N	0	0	428.875	7.167	50	30		IKEARN
O=c1c2oc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2ncn1N=Cc1cccs1	ZINC000252623743	569202129	/nfs/dbraw/zinc/20/21/29/569202129.db2.gz	OYGWISIQDFMKCR-UHFFFAOYSA-N	0	0	448.507	5.815	50	30		IKEARN
Clc1ccc(-c2nc3cc(N=Cc4c5ccccc5cc5ccccc54)ccc3o2)cc1	ZINC000252623171	569202145	/nfs/dbraw/zinc/20/21/45/569202145.db2.gz	OLNZXCWESWFHDO-UHFFFAOYSA-N	0	0	432.910	8.205	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O	ZINC000252623208	569202154	/nfs/dbraw/zinc/20/21/54/569202154.db2.gz	OMJIZRMQBBHMOY-ODKIPJEMSA-N	0	0	441.453	7.444	50	30	biogenic	IKEARN
CN1C(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1	ZINC000252623838	569202257	/nfs/dbraw/zinc/20/22/57/569202257.db2.gz	PAJLDDXCQWORLE-MUJYFGONSA-N	0	0	434.948	6.153	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC	ZINC000252623892	569202293	/nfs/dbraw/zinc/20/22/93/569202293.db2.gz	PBRJFQKUOYRTIB-SIFMURAYSA-N	0	0	428.557	6.326	50	30		IKEARN
Cc1ccc2nc(-c3ccc(C)c(N=Cc4c5ccccc5cc5ccccc54)c3)oc2c1	ZINC000252623991	569202628	/nfs/dbraw/zinc/20/26/28/569202628.db2.gz	PDTYYXNUJLDUBR-UHFFFAOYSA-N	0	0	426.519	8.169	50	30		IKEARN
Oc1ccc(N=C/C=C\c2ccc(Br)cc2)cc1-c1nc2ccccc2s1	ZINC000252624825	569202852	/nfs/dbraw/zinc/20/28/52/569202852.db2.gz	PVZCVHBQXAGIBJ-KAVOMJSMSA-N	0	0	435.346	6.847	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2	ZINC000252624763	569202875	/nfs/dbraw/zinc/20/28/75/569202875.db2.gz	PUPPBZVRWXBMAI-MUJIUASLSA-N	0	0	433.559	6.256	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252625172	569203046	/nfs/dbraw/zinc/20/30/46/569203046.db2.gz	QEPHNXKTLMAJFR-WPCCGSCNSA-N	0	0	428.513	5.841	50	30		IKEARN
O=c1oc2ccccc2cc1-c1csc(N=NCc2cccc(Br)c2)n1	ZINC000252625652	569203167	/nfs/dbraw/zinc/20/31/67/569203167.db2.gz	QOKNTABTFKBFPR-UHFFFAOYSA-N	0	0	426.295	5.125	50	30		IKEARN
Cc1ccc(N=C2C(=S)N(c3ccc(C)cc3)C(=N)N2N=Cc2ccc(Cl)cc2)cc1	ZINC000252625560	569203176	/nfs/dbraw/zinc/20/31/76/569203176.db2.gz	QMQNOQWCKYAACP-UHFFFAOYSA-N	0	0	445.979	6.105	50	30		IKEARN
C[C@@H]1CC/C(=C/C=C\c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000252625345	569203195	/nfs/dbraw/zinc/20/31/95/569203195.db2.gz	QHSOFLQDNNTTDE-IHVJFXHHSA-N	0	0	430.460	6.081	50	30		IKEARN
CCOc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)c2ccccc12	ZINC000252626124	569203208	/nfs/dbraw/zinc/20/32/08/569203208.db2.gz	QXBDYDYTACEPOV-SUOSWRNOSA-N	0	0	432.545	5.489	50	30		IKEARN
CSC1=NC(=Nc2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1	ZINC000252625536	569203210	/nfs/dbraw/zinc/20/32/10/569203210.db2.gz	QMFPWFXXGAFWBE-UHFFFAOYSA-N	0	0	428.399	6.340	50	30		IKEARN
CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1	ZINC000252626824	569203388	/nfs/dbraw/zinc/20/33/88/569203388.db2.gz	RGESGHJANGBKBU-ZRAGWZJNSA-N	0	0	449.551	5.866	50	30		IKEARN
CCCCCOc1ccc(C=Nc2ccc(C3c4ccccc4Oc4ccccc43)cc2)cc1	ZINC000252627359	569203532	/nfs/dbraw/zinc/20/35/32/569203532.db2.gz	RSPISSRYNJRGCJ-UHFFFAOYSA-N	0	0	447.578	8.292	50	30		IKEARN
CCOc1ccc(-c2nc3cc(N=Cc4cc(Cl)cc(Cl)c4[O-])ccc3o2)cc1	ZINC000252627845	569203551	/nfs/dbraw/zinc/20/35/51/569203551.db2.gz	SCPWHNVFIRWVJK-UHFFFAOYSA-N	0	0	427.287	6.657	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C	ZINC000252628937	569203725	/nfs/dbraw/zinc/20/37/25/569203725.db2.gz	TVEUZCVLQJDPAK-NRFANRHFSA-N	0	0	435.593	5.573	50	30		IKEARN
O=[N+]([O-])c1cc2c(cc1C=Nc1ccc(-c3nc4c(ccc5ccccc45)o3)cc1)OCO2	ZINC000252628978	569203732	/nfs/dbraw/zinc/20/37/32/569203732.db2.gz	TWAVKWDMAPYKRF-UHFFFAOYSA-N	0	0	437.411	6.036	50	30		IKEARN
COc1cc(Br)c(Br)c(C=Nc2cccc3ccccc32)c1O	ZINC000252628659	569203810	/nfs/dbraw/zinc/20/38/10/569203810.db2.gz	SVEMOPDVUBKINV-UHFFFAOYSA-N	0	0	435.115	5.830	50	30		IKEARN
Clc1ccc(/C=C\C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1	ZINC000252629729	569203868	/nfs/dbraw/zinc/20/38/68/569203868.db2.gz	UMMQOWRJBFAPFS-DIBCKIMCSA-N	0	0	427.718	7.871	50	30		IKEARN
Cc1ccc(N=C2c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1C	ZINC000252629416	569203939	/nfs/dbraw/zinc/20/39/39/569203939.db2.gz	UFJYPVQGWGHXJA-UHFFFAOYSA-N	0	0	437.587	5.683	50	30		IKEARN
O=C1/C(=C\c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252629614	569203961	/nfs/dbraw/zinc/20/39/61/569203961.db2.gz	UKBNRNSJEYFUED-NLEVOZIKSA-N	0	0	425.340	6.802	50	30		IKEARN
CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1	ZINC000252630504	569203998	/nfs/dbraw/zinc/20/39/98/569203998.db2.gz	VAZLWADNTQRQKV-AJNDAPIGSA-N	0	0	447.354	5.090	50	30		IKEARN
Cc1cccc(C)c1N=C1S/C(=C/c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1	ZINC000252630643	569204087	/nfs/dbraw/zinc/20/40/87/569204087.db2.gz	VBXBPAYKTGQHJF-JKTGJUOXSA-N	0	0	426.585	7.235	50	30		IKEARN
CSC1=NC(=Nc2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1	ZINC000252630054	569204119	/nfs/dbraw/zinc/20/41/19/569204119.db2.gz	UTLMYUDGMRNLBZ-UHFFFAOYSA-N	0	0	431.527	6.986	50	30		IKEARN
Cc1cccc(C)c1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1	ZINC000252630642	569204124	/nfs/dbraw/zinc/20/41/24/569204124.db2.gz	VBXBPAYKTGQHJF-HRCCQFLKSA-N	0	0	426.585	7.235	50	30		IKEARN
COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1	ZINC000252630928	569204424	/nfs/dbraw/zinc/20/44/24/569204424.db2.gz	VFZJJXPBAFCJGD-HHHXNRCGSA-N	0	0	437.564	7.403	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1	ZINC000252631157	569204494	/nfs/dbraw/zinc/20/44/94/569204494.db2.gz	VIWOCADVAOAYEJ-QQAFOXPBSA-N	0	0	426.538	5.117	50	30		IKEARN
CCCCN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1ccccc1	ZINC000252632476	569204924	/nfs/dbraw/zinc/20/49/24/569204924.db2.gz	VUGMMPHYXGXGSI-QFIPXVFZSA-N	0	0	431.561	5.600	50	30		IKEARN
CCCCCCCn1c2ccccc2nc1N=Cc1c2c(ccc1O)oc1c2CCCC1	ZINC000252635545	569207938	/nfs/dbraw/zinc/20/79/38/569207938.db2.gz	WYBWCFRPYLYGRB-UHFFFAOYSA-N	0	0	429.564	7.088	50	30		IKEARN
CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C\c3cccc(Br)c3)S1)C2	ZINC000252636279	569208036	/nfs/dbraw/zinc/20/80/36/569208036.db2.gz	XGBYPXJUPDRINW-QMGOUDKXSA-N	0	0	432.387	5.211	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1	ZINC000252635897	569208070	/nfs/dbraw/zinc/20/80/70/569208070.db2.gz	XBISUPUJBROKNQ-YNMBWQPYSA-N	0	0	446.956	5.380	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)SC1=Nc1ccccc1	ZINC000252636879	569208079	/nfs/dbraw/zinc/20/80/79/569208079.db2.gz	XMTUERJUKQHQAP-SIFMURAYSA-N	0	0	445.588	6.117	50	30		IKEARN
CCCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1cccc([N+](=O)[O-])c1	ZINC000252637279	569208201	/nfs/dbraw/zinc/20/82/01/569208201.db2.gz	XRDVLDXPUDTUDX-RTPXDPCMSA-N	0	0	434.521	5.333	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O	ZINC000002228326	569208268	/nfs/dbraw/zinc/20/82/68/569208268.db2.gz	QGGSZYAFSHPLCU-UOKWBDCBSA-N	0	0	430.887	6.243	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1	ZINC000252638326	569208323	/nfs/dbraw/zinc/20/83/23/569208323.db2.gz	YBGYWIGKLVPOKY-VYYDMKJGSA-N	0	0	445.588	6.422	50	30		IKEARN
CCOc1cc(/C=C2/SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O	ZINC000252638277	569208350	/nfs/dbraw/zinc/20/83/50/569208350.db2.gz	YASOULSQRVOPLY-VLTWACRQSA-N	0	0	430.957	5.704	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2Cl)SC1=Nc1ccc(C)c(C)c1	ZINC000252640021	569208488	/nfs/dbraw/zinc/20/84/88/569208488.db2.gz	YPOAQOCULHAICB-LJQANCHMSA-N	0	0	427.957	5.103	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2Cl)SC1=Nc1ccc(C)c(C)c1	ZINC000252640020	569208506	/nfs/dbraw/zinc/20/85/06/569208506.db2.gz	YPOAQOCULHAICB-IBGZPJMESA-N	0	0	427.957	5.103	50	30		IKEARN
COc1ccc(Br)c(C=Nc2cccc(NC(=O)c3ccccc3)c2)c1O	ZINC000252640675	569208663	/nfs/dbraw/zinc/20/86/63/569208663.db2.gz	YWIDBSWEKJUWMH-UHFFFAOYSA-N	0	0	425.282	5.166	50	30		IKEARN
COc1ccc(N=C/C=C2/C=C(c3ccccc3)OC3(O2)C2CC4CC(C2)CC3C4)cc1	ZINC000252640272	569208700	/nfs/dbraw/zinc/20/87/00/569208700.db2.gz	YSMDAGNFOXSLGJ-SAWQBKMQSA-N	0	0	427.544	6.522	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1	ZINC000252641484	569209387	/nfs/dbraw/zinc/20/93/87/569209387.db2.gz	ZDCKDNINEZLETI-UBWZAKNHSA-N	0	0	426.538	5.204	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC	ZINC000252642361	569209445	/nfs/dbraw/zinc/20/94/45/569209445.db2.gz	ZLIKNLUFMVQUGZ-AIMMPNMZSA-N	0	0	447.003	7.273	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccccc2Cl)C(=O)N1c1ccccc1CC	ZINC000252642362	569209458	/nfs/dbraw/zinc/20/94/58/569209458.db2.gz	ZLIKNLUFMVQUGZ-KISRHMMLSA-N	0	0	447.003	7.273	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252642744	569209460	/nfs/dbraw/zinc/20/94/60/569209460.db2.gz	ZPDZJAANZQTWKI-OIBHPTRJSA-N	0	0	435.346	6.258	50	30		IKEARN
Cn1c2ccccc2c2nnc(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)nc21	ZINC000252642971	569209471	/nfs/dbraw/zinc/20/94/71/569209471.db2.gz	ZSECZMAIFWIEJE-UHFFFAOYSA-N	0	0	436.397	5.241	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O	ZINC000252675029	569210249	/nfs/dbraw/zinc/21/02/49/569210249.db2.gz	SROGWZWKRJBQEJ-UHFFFAOYSA-N	0	0	436.968	5.086	50	30		IKEARN
Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1	ZINC000252679782	569210682	/nfs/dbraw/zinc/21/06/82/569210682.db2.gz	REQADNDMPFXOST-UHFFFAOYSA-N	0	0	442.320	5.987	50	30		IKEARN
C=CCc1ccccc1OCC(=O)Nc1scc(-c2ccc(Cl)cc2)c1C(=O)OC	ZINC000002889920	569211253	/nfs/dbraw/zinc/21/12/53/569211253.db2.gz	XJUDQNQGUWDFFT-UHFFFAOYSA-N	0	0	441.936	5.601	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O	ZINC000002234905	569211940	/nfs/dbraw/zinc/21/19/40/569211940.db2.gz	RMFFMQCOQUSHTM-UHFFFAOYSA-N	0	0	443.526	5.702	50	30		IKEARN
CCCCCCCSc1nc2ccc(I)cc2c(=O)n1CC	ZINC000002235431	569212146	/nfs/dbraw/zinc/21/21/46/569212146.db2.gz	ILUNQYFPNIJPAW-UHFFFAOYSA-N	0	0	430.355	5.084	50	30		IKEARN
O=C(Nc1cccc(/N=C/c2c(O)ccc3cc([N+](=O)[O-])ccc32)c1)c1ccc(F)cc1	ZINC000001502286	569212370	/nfs/dbraw/zinc/21/23/70/569212370.db2.gz	QFEZWFRCHPQZST-VULFUBBASA-N	0	0	429.407	5.596	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2C1=O	ZINC000002237320	569212523	/nfs/dbraw/zinc/21/25/23/569212523.db2.gz	WIRILWPNQWSSRS-QQAHGDJHSA-N	0	0	441.439	5.497	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1[C@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2	ZINC000002239959	569212967	/nfs/dbraw/zinc/21/29/67/569212967.db2.gz	AEGANYGNGZWYMP-IBGZPJMESA-N	0	0	434.605	5.134	50	30	biogenic	IKEARN
C#CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2	ZINC000002239960	569212993	/nfs/dbraw/zinc/21/29/93/569212993.db2.gz	AEGANYGNGZWYMP-LJQANCHMSA-N	0	0	434.605	5.134	50	30	biogenic	IKEARN
Cc1cc2nc(-c3ccc(/N=C/c4cc(C)c(C)c(Br)c4O)cc3)oc2cc1C	ZINC000003087389	569213131	/nfs/dbraw/zinc/21/31/31/569213131.db2.gz	MEAOYMHKDRWVOK-RPPGKUMJSA-N	0	0	449.348	6.947	50	30		IKEARN
Fc1cccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(F)c(Cl)c5)o4)ccc3o2)c1	ZINC000003083322	569213156	/nfs/dbraw/zinc/21/31/56/569213156.db2.gz	XJWIVFMKXNZUHG-XODNFHPESA-N	0	0	434.829	7.437	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br	ZINC000003202776	569213248	/nfs/dbraw/zinc/21/32/48/569213248.db2.gz	VSMHVIQWDWYILH-FQEVSTJZSA-N	0	0	446.385	5.396	50	30		IKEARN
Cc1ccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4ccc(C)cc4)c3)ccc2O)cc1	ZINC000003168153	569213288	/nfs/dbraw/zinc/21/32/88/569213288.db2.gz	FZTXWDRDBSAVQW-GFTXTJKWSA-N	0	0	434.539	6.807	50	30		IKEARN
O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc2ccccc21	ZINC000002245989	569214419	/nfs/dbraw/zinc/21/44/19/569214419.db2.gz	KQZPTMMEYMZIIN-QHCPKHFHSA-N	0	0	445.316	6.679	50	30		IKEARN
CCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(Cl)c2)c2nc3ccccc3nc21	ZINC000002248052	569214771	/nfs/dbraw/zinc/21/47/71/569214771.db2.gz	BLRZSJNFXKOPLZ-RWPZCVJISA-N	0	0	448.958	5.012	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O	ZINC000002261583	569215787	/nfs/dbraw/zinc/21/57/87/569215787.db2.gz	OOFYOLZPPLKISU-XRDZRPQXSA-N	0	0	430.371	5.083	50	30		IKEARN
COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccc(C)cc1	ZINC000002267406	569216272	/nfs/dbraw/zinc/21/62/72/569216272.db2.gz	CPPNJCAOVMBKSV-LYAXJZIPSA-N	0	0	437.564	7.403	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1	ZINC000002253686	569216607	/nfs/dbraw/zinc/21/66/07/569216607.db2.gz	LQMBVFJCDKIJOG-NRFANRHFSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccc(F)cc2)cc1	ZINC000013551463	569256813	/nfs/dbraw/zinc/25/68/13/569256813.db2.gz	FNUUFYIDPPKJOL-ZCYQVOJMSA-N	0	0	445.450	5.541	50	30		IKEARN
N#CCCN1C(=O)COc2ccc(-c3cc(-c4ccccc4)cc(-c4ccc(F)cc4)n3)cc21	ZINC000019862869	569257043	/nfs/dbraw/zinc/25/70/43/569257043.db2.gz	BOUOPPAKJVJOBB-UHFFFAOYSA-N	0	0	449.485	5.861	50	30		IKEARN
COc1cccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c1	ZINC000019911193	569257144	/nfs/dbraw/zinc/25/71/44/569257144.db2.gz	YULCIGZSUMIFEE-UHFFFAOYSA-N	0	0	434.464	5.684	50	30		IKEARN
CC(C)N1c2ccccc2/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)C1=O	ZINC000015228136	569261633	/nfs/dbraw/zinc/26/16/33/569261633.db2.gz	ZLXNDITXEAJULI-VLNLLYCGSA-N	0	0	445.588	5.749	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)SC3	ZINC000002280518	569262999	/nfs/dbraw/zinc/26/29/99/569262999.db2.gz	LDVKCSGPHCANKW-UHFFFAOYSA-N	0	0	442.631	5.187	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cccc(OCCSc3ccc(Cl)cc3)c2)SC1=S	ZINC000027527893	569263439	/nfs/dbraw/zinc/26/34/39/569263439.db2.gz	KKLJDZZSEAAHFU-RGEXLXHISA-N	0	0	448.034	5.898	50	30		IKEARN
Cc1ccc(C(=O)On2c(-c3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1C	ZINC000027527703	569263485	/nfs/dbraw/zinc/26/34/85/569263485.db2.gz	BCSJGRUNWYCJBG-UHFFFAOYSA-N	0	0	426.516	5.247	50	30		IKEARN
Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cc(C)c(N(C)C)cc3C#N)c12	ZINC000253430794	569267751	/nfs/dbraw/zinc/26/77/51/569267751.db2.gz	OCHKRGYPGJILDK-UHFFFAOYSA-N	0	0	425.492	5.005	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002291659	569268018	/nfs/dbraw/zinc/26/80/18/569268018.db2.gz	VEILOHJORFMSSY-DEOSSOPVSA-N	0	0	432.907	6.711	50	30		IKEARN
Cc1ccccc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2	ZINC000027547286	569271265	/nfs/dbraw/zinc/27/12/65/569271265.db2.gz	JVRWCERNINRVAY-JOCHJYFZSA-N	0	0	440.465	5.620	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cccc(Br)c1	ZINC000002306146	569271869	/nfs/dbraw/zinc/27/18/69/569271869.db2.gz	DSQADTIMDSAVQD-DEOSSOPVSA-N	0	0	432.361	6.912	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@]43C)[C@H]1CCC2=O	ZINC000253499196	569272824	/nfs/dbraw/zinc/27/28/24/569272824.db2.gz	HESAJDXBMHQLJH-SIRXFEOPSA-N	0	0	445.434	7.293	50	30	biogenic	IKEARN
O=C(C=CNc1ccc(Oc2cccc(NC=CC(=O)C(F)(F)F)c2)cc1)C(F)(F)F	ZINC000002313639	569273115	/nfs/dbraw/zinc/27/31/15/569273115.db2.gz	BVCVSVJXLFKRJQ-GFULKKFKSA-N	0	0	444.331	5.593	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000027570836	569273609	/nfs/dbraw/zinc/27/36/09/569273609.db2.gz	HKZQCWWGDKSRHJ-HYARGMPZSA-N	0	0	447.918	6.094	50	30		IKEARN
O=[N+]([O-])C(C=Nc1ccccc1Br)=CNc1ccccc1Br	ZINC000002326574	569274471	/nfs/dbraw/zinc/27/44/71/569274471.db2.gz	PSBJOUHXDMNKSU-KFPJKESOSA-N	0	0	425.080	5.144	50	30		IKEARN
O=C1CS/C(=N/N=C/c2ccc(Br)cc2)N1Cc1cccc2ccccc21	ZINC000002337635	569274931	/nfs/dbraw/zinc/27/49/31/569274931.db2.gz	HUBUMFQFTVPSRZ-BZCDASSZSA-N	0	0	438.350	5.068	50	30		IKEARN
CCCCCCCSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4	ZINC000002344413	569275291	/nfs/dbraw/zinc/27/52/91/569275291.db2.gz	ZEOXFRRKPYLVBR-UHFFFAOYSA-N	0	0	436.650	6.947	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@@]21C	ZINC000257346889	569279950	/nfs/dbraw/zinc/27/99/50/569279950.db2.gz	CYPQELKXBYBDOE-XRQUGMBTSA-N	0	0	446.628	5.154	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1	ZINC000257346687	569279971	/nfs/dbraw/zinc/27/99/71/569279971.db2.gz	KNJVWAVLNHNHKV-CYLIMVRESA-N	0	0	430.654	6.502	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C	ZINC000257347750	569280097	/nfs/dbraw/zinc/28/00/97/569280097.db2.gz	SUISKBUAOOSHAW-NYHSDVFVSA-N	0	0	444.612	5.265	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C3=C(C(=O)C[C@H]2C1)[C@@H]1CC[C@H]([C@H](C)CCCC(C)C)[C@@]1(C)CC3	ZINC000257349209	569280344	/nfs/dbraw/zinc/28/03/44/569280344.db2.gz	MNPFRDKDRKYDAA-SOTKZAEUSA-N	0	0	442.684	7.283	50	30		IKEARN
CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@@]3(C)C[C@H]1O2	ZINC000257350330	569280700	/nfs/dbraw/zinc/28/07/00/569280700.db2.gz	WJIXKJVODIQPNM-YEHDBOJLSA-N	0	0	444.700	7.376	50	30		IKEARN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@H](O)C[C@@H]1O	ZINC000257355246	569280732	/nfs/dbraw/zinc/28/07/32/569280732.db2.gz	ZGLHBRQAEXKACO-LLKVAECLSA-N	0	0	428.657	5.727	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257358572	569280921	/nfs/dbraw/zinc/28/09/21/569280921.db2.gz	VEEBKUQFPONGGR-ZELSYXRPSA-N	0	0	444.700	7.171	50	30		IKEARN
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257358210	569280931	/nfs/dbraw/zinc/28/09/31/569280931.db2.gz	SDPXLBMMNBJQCT-ZGXSVSPRSA-N	0	0	449.635	5.201	50	30		IKEARN
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257358207	569280967	/nfs/dbraw/zinc/28/09/67/569280967.db2.gz	SDPXLBMMNBJQCT-CQIJPNESSA-N	0	0	449.635	5.201	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3	ZINC000002350760	569282681	/nfs/dbraw/zinc/28/26/81/569282681.db2.gz	KYSONHVOUNEZAM-UHFFFAOYSA-N	0	0	442.650	6.361	50	30		IKEARN
CC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000002352181	569282783	/nfs/dbraw/zinc/28/27/83/569282783.db2.gz	HUHMPQIMRFPRLA-VDFJPTLYSA-N	0	0	447.560	5.101	50	30		IKEARN
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000253500124	569283440	/nfs/dbraw/zinc/28/34/40/569283440.db2.gz	XDVHIXRJLWUKRR-ZPQAWTAASA-N	0	0	440.624	6.136	50	30	biogenic	IKEARN
C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C	ZINC000253531729	569283903	/nfs/dbraw/zinc/28/39/03/569283903.db2.gz	BZDQWOZFIUXHLF-SFCIDSGNSA-N	0	0	434.576	5.578	50	30		IKEARN
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(Cl)c1	ZINC000000638216	569284862	/nfs/dbraw/zinc/28/48/62/569284862.db2.gz	JNPIWIRCANBDMN-UHFFFAOYSA-N	0	0	432.911	5.560	50	30		IKEARN
CSc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000000644450	569284968	/nfs/dbraw/zinc/28/49/68/569284968.db2.gz	GRFHUXOYPACACR-UHFFFAOYSA-N	0	0	448.939	5.259	50	30		IKEARN
CCc1c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2)nc2c1C(=O)CC(C)(C)C2	ZINC000000630262	569284969	/nfs/dbraw/zinc/28/49/69/569284969.db2.gz	HDHYRWMNZXYKEI-UHFFFAOYSA-N	0	0	427.957	5.055	50	30		IKEARN
C=CCNC(=S)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(Cl)cc1)n3CCCC2	ZINC000002359511	569286084	/nfs/dbraw/zinc/28/60/84/569286084.db2.gz	CVJWZJAHLNIRNW-UHFFFAOYSA-N	0	0	446.019	6.516	50	30		IKEARN
C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4	ZINC000002361054	569286858	/nfs/dbraw/zinc/28/68/58/569286858.db2.gz	XLUXNILKVIAAIB-HXUWFJFHSA-N	0	0	434.656	5.751	50	30		IKEARN
CCCCCCCCCn1cc(OC(=O)CC)c2c3nc4ccccc4n3c(CC)nc21	ZINC000002363944	569287740	/nfs/dbraw/zinc/28/77/40/569287740.db2.gz	VSNFTFMUCWXJTD-UHFFFAOYSA-N	0	0	434.584	6.466	50	30		IKEARN
CCc1c(O)c(C(C)=NOCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000252614688	569288441	/nfs/dbraw/zinc/28/84/41/569288441.db2.gz	JLVBJKQPWCETHB-UHFFFAOYSA-N	0	0	438.527	5.713	50	30		IKEARN
C#CCOc1ccc(-c2nnc(Nc3ccc(Br)cc3)c3ccccc32)cc1	ZINC000002367229	569288582	/nfs/dbraw/zinc/28/85/82/569288582.db2.gz	ALFGGTJTDMENEK-UHFFFAOYSA-N	0	0	430.305	5.815	50	30		IKEARN
Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008426178	569289617	/nfs/dbraw/zinc/28/96/17/569289617.db2.gz	LYLRVDUFFCAVSI-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N	ZINC000008430486	569289643	/nfs/dbraw/zinc/28/96/43/569289643.db2.gz	NAMLXOBGISPGOC-JHMRYYBSSA-N	0	0	437.531	5.094	50	30		IKEARN
N#Cc1ccc(C(=O)Sc2ccc(Cl)c(SC(=O)c3ccc(C#N)cc3)c2)cc1	ZINC000008430992	569289668	/nfs/dbraw/zinc/28/96/68/569289668.db2.gz	MLPFWDJLWLOINJ-UHFFFAOYSA-N	0	0	434.929	5.948	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1	ZINC000008425517	569289675	/nfs/dbraw/zinc/28/96/75/569289675.db2.gz	XINMZXADDJUPCE-UHFFFAOYSA-N	0	0	432.545	5.730	50	30		IKEARN
CCCCCCCCn1c(N)c(C(=O)OCc2ccccc2)c2nc3ccccc3nc21	ZINC000002378276	569289718	/nfs/dbraw/zinc/28/97/18/569289718.db2.gz	OZWOGNRBGJQJRQ-UHFFFAOYSA-N	0	0	430.552	5.884	50	30		IKEARN
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1	ZINC000008433422	569289728	/nfs/dbraw/zinc/28/97/28/569289728.db2.gz	OSSJDOZXZQMOCW-UHFFFAOYSA-N	0	0	446.469	6.859	50	30		IKEARN
COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@@H](C(C)(C)C)C3)c1	ZINC000008448639	569289748	/nfs/dbraw/zinc/28/97/48/569289748.db2.gz	LFAUMQUEKOQCRD-GOSISDBHSA-N	0	0	448.657	7.134	50	30		IKEARN
Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008439958	569289777	/nfs/dbraw/zinc/28/97/77/569289777.db2.gz	GBKBSPCWGWMCGB-UHFFFAOYSA-N	0	0	435.552	6.327	50	30		IKEARN
COc1ccc(-c2cc(-c3ccc(OC)cc3)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000008441159	569289790	/nfs/dbraw/zinc/28/97/90/569289790.db2.gz	KAFAGOXLYIAZLR-UHFFFAOYSA-N	0	0	438.552	6.597	50	30		IKEARN
N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCc1ccc(Br)cc1	ZINC000008448472	569289803	/nfs/dbraw/zinc/28/98/03/569289803.db2.gz	SWCCYSJRCOPABZ-UHFFFAOYSA-N	0	0	439.422	6.476	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCCOc3ccccc3)c2C#N)cc1	ZINC000008448602	569289811	/nfs/dbraw/zinc/28/98/11/569289811.db2.gz	FZKNCDQLVMDRFT-UHFFFAOYSA-N	0	0	438.552	6.467	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1	ZINC000008446055	569289819	/nfs/dbraw/zinc/28/98/19/569289819.db2.gz	XYMWGYIKAXTKTQ-UHFFFAOYSA-N	0	0	434.564	6.879	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCCCC3CCCCC3)c2C#N)cc1	ZINC000008445795	569289829	/nfs/dbraw/zinc/28/98/29/569289829.db2.gz	STDXJYRKTZVCRH-UHFFFAOYSA-N	0	0	442.628	7.748	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1	ZINC000008443628	569289831	/nfs/dbraw/zinc/28/98/31/569289831.db2.gz	PEYVOJFCBCGDDW-NRFANRHFSA-N	0	0	436.536	6.219	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)cc1	ZINC000008448429	569289832	/nfs/dbraw/zinc/28/98/32/569289832.db2.gz	DUEWLYJHYHWKQM-UHFFFAOYSA-N	0	0	438.527	6.710	50	30		IKEARN
N#Cc1c(-c2cccs2)cc(-c2cccs2)nc1SCc1ccc(Cl)nc1	ZINC000008451269	569289899	/nfs/dbraw/zinc/28/98/99/569289899.db2.gz	AGINIYKHVBWLEV-UHFFFAOYSA-N	0	0	425.991	6.751	50	30		IKEARN
N#Cc1c(SCCCOc2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000008451238	569289914	/nfs/dbraw/zinc/28/99/14/569289914.db2.gz	ASLFHBQSIIUGEU-UHFFFAOYSA-N	0	0	446.572	7.049	50	30		IKEARN
CC(C)OC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N	ZINC000008451232	569289983	/nfs/dbraw/zinc/28/99/83/569289983.db2.gz	WUJHVZHEEBZVDZ-UHFFFAOYSA-N	0	0	442.587	5.413	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc3c(c(-c4ccccc4)c2C#N)CSCC3)cc1	ZINC000008706674	569290082	/nfs/dbraw/zinc/29/00/82/569290082.db2.gz	UCDVGQLNNFSUDV-UHFFFAOYSA-N	0	0	447.585	5.149	50	30		IKEARN
FC(F)(F)c1cnc(N=NCc2ccc(OCc3nnsc3Cl)cc2)c(Cl)c1	ZINC000008887931	569291963	/nfs/dbraw/zinc/29/19/63/569291963.db2.gz	QTMXIHCTCMECSH-TXNBCWFRSA-N	0	0	448.257	5.284	50	30		IKEARN
CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCCC3)cc1	ZINC000008904582	569292220	/nfs/dbraw/zinc/29/22/20/569292220.db2.gz	TUUKZWMSZSLIRJ-UHFFFAOYSA-N	0	0	442.584	6.111	50	30		IKEARN
Clc1ccc(SC/C(=N\OCc2c(Cl)cccc2Cl)c2ccccc2)cc1	ZINC000008925774	569292438	/nfs/dbraw/zinc/29/24/38/569292438.db2.gz	YGZZVBHGUYNGIP-NJNXFGOHSA-N	0	0	436.791	7.360	50	30		IKEARN
N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000008991541	569292690	/nfs/dbraw/zinc/29/26/90/569292690.db2.gz	GIZLWNSHYMYEQE-UHFFFAOYSA-N	0	0	427.451	5.048	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Br)cc1	ZINC000008990109	569292697	/nfs/dbraw/zinc/29/26/97/569292697.db2.gz	JHSFTFBMLKCFND-UHFFFAOYSA-N	0	0	449.295	6.694	50	30		IKEARN
N#Cc1cc(Nc2ccc3nc(NC(=O)C4CCCCC4)sc3c2)c([N+](=O)[O-])cc1C#N	ZINC000009010049	569292798	/nfs/dbraw/zinc/29/27/98/569292798.db2.gz	VQXMHJWPTRFCAS-UHFFFAOYSA-N	0	0	446.492	5.210	50	30		IKEARN
CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3ccccc3C)n2c1C	ZINC000065318779	569294402	/nfs/dbraw/zinc/29/44/02/569294402.db2.gz	PNGNGHZRABVWGO-UHFFFAOYSA-N	0	0	430.533	5.340	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3ccccc3)N3CCOCC3)o2)CC1	ZINC000027750349	569296509	/nfs/dbraw/zinc/29/65/09/569296509.db2.gz	OKJUKSHRPFHBCQ-LLAFXHEGSA-N	0	0	436.600	5.496	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1	ZINC000009489946	569296801	/nfs/dbraw/zinc/29/68/01/569296801.db2.gz	FUJWULVYCABEQW-AEFFLSMTSA-N	0	0	445.832	5.321	50	30		IKEARN
C[C@H](Oc1ccccc1)c1nnc(SCC(=O)c2ccc(C#N)cc2)n1-c1ccccc1	ZINC000009526160	569297171	/nfs/dbraw/zinc/29/71/71/569297171.db2.gz	TZQHIAKUWMGMEL-SFHVURJKSA-N	0	0	440.528	5.254	50	30		IKEARN
N#Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1	ZINC000002392366	569297322	/nfs/dbraw/zinc/29/73/22/569297322.db2.gz	ORPRKJZLXYKBAQ-UHFFFAOYSA-N	0	0	433.558	5.142	50	30		IKEARN
COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)no1	ZINC000009597844	569297488	/nfs/dbraw/zinc/29/74/88/569297488.db2.gz	UBSUMNIDYLNHGT-CQSZACIVSA-N	0	0	435.549	5.687	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(NC[C@H](c3cccs3)N3CCOCC3)o2)CC1	ZINC000027794211	569299383	/nfs/dbraw/zinc/29/93/83/569299383.db2.gz	LCHRUEYCJUTOMK-GZNCHQMQSA-N	0	0	442.629	5.557	50	30		IKEARN
CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2ccc(OC)c(OC)c2)c1C#N	ZINC000002405358	569299447	/nfs/dbraw/zinc/29/94/47/569299447.db2.gz	LRPZWPBYUMDZSK-UHFFFAOYSA-N	0	0	447.560	5.619	50	30		IKEARN
C=C(C)CSc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3	ZINC000002402221	569299599	/nfs/dbraw/zinc/29/95/99/569299599.db2.gz	ZSCOLDJXCYMLOG-UHFFFAOYSA-N	0	0	445.679	6.604	50	30		IKEARN
COc1cccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1OC	ZINC000002402787	569299768	/nfs/dbraw/zinc/29/97/68/569299768.db2.gz	TWUOKPVJUXEASD-MTJSOVHGSA-N	0	0	436.847	5.193	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc21	ZINC000002403370	569299917	/nfs/dbraw/zinc/29/99/17/569299917.db2.gz	OLGBFAJCTIBPCZ-UHFFFAOYSA-N	0	0	446.551	5.351	50	30		IKEARN
Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)o1	ZINC000002406215	569300104	/nfs/dbraw/zinc/30/01/04/569300104.db2.gz	ZSDMNPPEFCYRFQ-ODLFYWEKSA-N	0	0	425.234	5.186	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C3C(=O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1	ZINC000002420664	569301970	/nfs/dbraw/zinc/30/19/70/569301970.db2.gz	PKOYRACQFYEDOR-RUZDIDTESA-N	0	0	429.541	5.532	50	30		IKEARN
Cc1ccsc1/C=C1\Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc2C1=O	ZINC000002421793	569302145	/nfs/dbraw/zinc/30/21/45/569302145.db2.gz	PNDLWUGRRALAMR-AUWJEWJLSA-N	0	0	438.373	5.947	50	30		IKEARN
COc1ccccc1/C=C1\Oc2cc(OCc3c(Cl)cccc3Cl)ccc2C1=O	ZINC000002426600	569302530	/nfs/dbraw/zinc/30/25/30/569302530.db2.gz	OQVRYBNZGNDUOL-JJFYIABZSA-N	0	0	427.283	6.197	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc(Br)cc2C(=O)/C=C/c2cccs2)cc1	ZINC000011867661	569303073	/nfs/dbraw/zinc/30/30/73/569303073.db2.gz	BQEBJAIPMNWHPI-MDZDMXLPSA-N	0	0	443.318	5.635	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1OC	ZINC000002433603	569303361	/nfs/dbraw/zinc/30/33/61/569303361.db2.gz	FAELAHSSGMVGPG-RMORIDSASA-N	0	0	440.854	5.692	50	30		IKEARN
CCCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000002434444	569303675	/nfs/dbraw/zinc/30/36/75/569303675.db2.gz	WZNYKKJPFJPREB-UHFFFAOYSA-N	0	0	436.581	5.278	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(Cl)cc1	ZINC000002443655	569304296	/nfs/dbraw/zinc/30/42/96/569304296.db2.gz	XMSWYDAMNRPPRN-UHFFFAOYSA-N	0	0	426.973	5.386	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002444632	569304381	/nfs/dbraw/zinc/30/43/81/569304381.db2.gz	BZTDJGSCAOITQX-UHFFFAOYSA-N	0	0	442.535	5.438	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1cccc(Br)c1)C1C(=O)CCCC1=N2	ZINC000020092742	569305026	/nfs/dbraw/zinc/30/50/26/569305026.db2.gz	ANEUSOATTOFUFB-SFHVURJKSA-N	0	0	447.402	5.345	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000012894878	569305118	/nfs/dbraw/zinc/30/51/18/569305118.db2.gz	UOCUEIOMIAYZNI-OYQMSHHXSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
Cc1nn(-c2ccccc2)c(CSCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C#N	ZINC000013028251	569307260	/nfs/dbraw/zinc/30/72/60/569307260.db2.gz	RRJFYSHRZWEPJC-UHFFFAOYSA-N	0	0	431.348	5.231	50	30		IKEARN
COc1ccc2c(c1)nc(SCC(=O)Nc1ccccc1C#N)cc2-c1ccccc1	ZINC000013018088	569307271	/nfs/dbraw/zinc/30/72/71/569307271.db2.gz	QAYGBIRUOMTDFA-UHFFFAOYSA-N	0	0	425.513	5.513	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)c1sc2cccc(F)c2c1C	ZINC000013096933	569309615	/nfs/dbraw/zinc/30/96/15/569309615.db2.gz	VRJGQYMTBYYMBQ-UHFFFAOYSA-N	0	0	434.286	5.601	50	30		IKEARN
CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccccc1Sc1ccccc1C#N	ZINC000013098479	569309729	/nfs/dbraw/zinc/30/97/29/569309729.db2.gz	NAOXQFIYZFXWSS-UHFFFAOYSA-N	0	0	427.356	6.288	50	30		IKEARN
CCc1cc(SCc2cc(=O)oc3cc(O)ccc23)n2c3ccccc3nc2c1C#N	ZINC000013113036	569310463	/nfs/dbraw/zinc/31/04/63/569310463.db2.gz	KGQLOJBVNUMUSM-UHFFFAOYSA-N	0	0	427.485	5.026	50	30		IKEARN
Cc1cc(SCC(=O)Nc2cc(Cl)ccc2Cl)n2c3ccccc3nc2c1C#N	ZINC000013146407	569311529	/nfs/dbraw/zinc/31/15/29/569311529.db2.gz	WMCLWVHAVPKWDF-UHFFFAOYSA-N	0	0	441.343	5.705	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)[C@@H](N)C(=O)OCC	ZINC000070665998	569315189	/nfs/dbraw/zinc/31/51/89/569315189.db2.gz	OUVBUIRXQDERDF-FTJBHMTQSA-N	0	0	447.660	6.643	50	30	biogenic	IKEARN
Cc1ccc([C@H](NC(=O)c2cc(F)ccc2I)c2ccccn2)cc1	ZINC000328589867	569316802	/nfs/dbraw/zinc/31/68/02/569316802.db2.gz	LVHIDSGPROTLLZ-IBGZPJMESA-N	0	0	446.263	5.228	50	30		IKEARN
Cc1ccc([C@@H](NC(=O)c2cc(F)ccc2I)c2ccccn2)cc1	ZINC000328589870	569316809	/nfs/dbraw/zinc/31/68/09/569316809.db2.gz	LVHIDSGPROTLLZ-LJQANCHMSA-N	0	0	446.263	5.228	50	30		IKEARN
CC(C)[C@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1	ZINC000328591442	569316983	/nfs/dbraw/zinc/31/69/83/569316983.db2.gz	XABQLSDYWKZMKC-OAQYLSRUSA-N	0	0	445.585	5.573	50	30		IKEARN
O=C(NCc1ccccc1)[C@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000328592391	569317190	/nfs/dbraw/zinc/31/71/90/569317190.db2.gz	WOUXDZDALHCPGG-HHHXNRCGSA-N	0	0	435.523	6.260	50	30		IKEARN
O=C(NCc1ccccc1)[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000328592392	569317198	/nfs/dbraw/zinc/31/71/98/569317198.db2.gz	WOUXDZDALHCPGG-MHZLTWQESA-N	0	0	435.523	6.260	50	30		IKEARN
CC(C)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1	ZINC000328592471	569317201	/nfs/dbraw/zinc/31/72/01/569317201.db2.gz	SOXFWCHWFGPACR-GOTSBHOMSA-N	0	0	430.504	5.589	50	30		IKEARN
CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(O)cc3)c2C#N)cc1	ZINC000019337679	569318485	/nfs/dbraw/zinc/31/84/85/569318485.db2.gz	RELFNOLRKRNDGX-UHFFFAOYSA-N	0	0	442.544	5.097	50	30		IKEARN
COc1ccc(OCCCOc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1	ZINC000013940179	569321744	/nfs/dbraw/zinc/32/17/44/569321744.db2.gz	GQTSLHSBHNHSMB-KOEQRZSOSA-N	0	0	433.533	5.599	50	30		IKEARN
C=CCn1c(S[C@@H](c2nc(-c3ccccc3)no2)c2ccccc2)nnc1-c1ccco1	ZINC000079024316	569322724	/nfs/dbraw/zinc/32/27/24/569322724.db2.gz	OEMJGDSLVVRWDI-HXUWFJFHSA-N	0	0	441.516	5.656	50	30		IKEARN
N#Cc1c(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1cccs1	ZINC000019597308	569322967	/nfs/dbraw/zinc/32/29/67/569322967.db2.gz	QQLAWLMCPNOYGU-UHFFFAOYSA-N	0	0	434.590	5.013	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)sc2C1	ZINC000019816301	569329778	/nfs/dbraw/zinc/32/97/78/569329778.db2.gz	JEIZBYACTGUTQR-CYBMUJFWSA-N	0	0	440.956	5.409	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)sc2C1	ZINC000019816304	569329785	/nfs/dbraw/zinc/32/97/85/569329785.db2.gz	JEIZBYACTGUTQR-ZDUSSCGKSA-N	0	0	440.956	5.409	50	30		IKEARN
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)cc1	ZINC000019811495	569329798	/nfs/dbraw/zinc/32/97/98/569329798.db2.gz	XMANQHLDNMTYTI-UHFFFAOYSA-N	0	0	446.963	6.150	50	30		IKEARN
CSc1nc(Nc2ccc(Br)cc2)c(C#N)c(-c2ccc(Cl)cc2)n1	ZINC000019820514	569330033	/nfs/dbraw/zinc/33/00/33/569330033.db2.gz	BFYGBZGDFJWLDQ-UHFFFAOYSA-N	0	0	431.746	5.897	50	30		IKEARN
Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1	ZINC000019841791	569330252	/nfs/dbraw/zinc/33/02/52/569330252.db2.gz	ZLCUXMIHXDCJTB-UHFFFAOYSA-N	0	0	426.010	6.397	50	30		IKEARN
Cc1sc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl	ZINC000019841577	569330255	/nfs/dbraw/zinc/33/02/55/569330255.db2.gz	NDUWYESQGCICCE-UHFFFAOYSA-N	0	0	427.932	5.823	50	30		IKEARN
CCOC(=O)c1c2nc(N)c(C#N)c(-c3ccccc3)c2sc1Nc1ccc(F)cc1	ZINC000019891555	569331640	/nfs/dbraw/zinc/33/16/40/569331640.db2.gz	VLGFMBTZEDKCCM-UHFFFAOYSA-N	0	0	432.480	5.477	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCC3)ccc1OCc1ccccc1Cl	ZINC000019900779	569331783	/nfs/dbraw/zinc/33/17/83/569331783.db2.gz	YHADIUJZQJFSPK-UHFFFAOYSA-N	0	0	433.939	5.712	50	30		IKEARN
CC(C)c1ccc(-c2c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3nc(N)c2C#N)cc1	ZINC000020057987	569332910	/nfs/dbraw/zinc/33/29/10/569332910.db2.gz	JRFXGFZAQYPTGD-UHFFFAOYSA-N	0	0	446.963	6.007	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1	ZINC000020071672	569333694	/nfs/dbraw/zinc/33/36/94/569333694.db2.gz	ORDAQYJPJNSNSJ-NXCFDTQHSA-N	0	0	433.486	5.418	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1	ZINC000020072385	569333731	/nfs/dbraw/zinc/33/37/31/569333731.db2.gz	BYXZAQQCRJRABN-NXCFDTQHSA-N	0	0	449.941	5.933	50	30		IKEARN
CCOc1ccccc1/C=C1\CC(c2ccccc2)C/C(=C\c2ccccc2OCC)C1=O	ZINC000020115628	569335009	/nfs/dbraw/zinc/33/50/09/569335009.db2.gz	PUXRTJPMINDFRP-BFNWXZRRSA-N	0	0	438.567	7.098	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(O)c(O)c1	ZINC000020120568	569335291	/nfs/dbraw/zinc/33/52/91/569335291.db2.gz	CRBBYRIUVXOXPE-UHFFFAOYSA-N	0	0	438.508	5.673	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CCCC2=N3)c1	ZINC000020134248	569335519	/nfs/dbraw/zinc/33/55/19/569335519.db2.gz	LSMFTTWUPJQQSG-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@@H](c3ccc(Cl)cc3)C12	ZINC000020135531	569335662	/nfs/dbraw/zinc/33/56/62/569335662.db2.gz	XFVXPCDOBHLLPI-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000020134773	569335673	/nfs/dbraw/zinc/33/56/73/569335673.db2.gz	NCDROPGVNDBYAO-FQEVSTJZSA-N	0	0	428.492	5.494	50	30		IKEARN
CC(C)[C@H]1c2c(=O)[nH]c(SCc3ccc(Cl)cc3)nc2NC2=C1C(=O)CC(C)(C)C2	ZINC000020134459	569335727	/nfs/dbraw/zinc/33/57/27/569335727.db2.gz	CVHNDELSLUPQBT-QGZVFWFLSA-N	0	0	444.000	5.524	50	30		IKEARN
C=CCSC1=N/C(=C/c2cccc(OC)c2OC)C(=O)N1c1ccc(F)c(Cl)c1	ZINC000020152039	569336532	/nfs/dbraw/zinc/33/65/32/569336532.db2.gz	JDJOKWBWHMQNRM-GZTJUZNOSA-N	0	0	432.904	5.159	50	30		IKEARN
C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(OCC)cc1	ZINC000020152074	569336618	/nfs/dbraw/zinc/33/66/18/569336618.db2.gz	SFMWRCRSXGDCQE-HKWRFOASSA-N	0	0	438.549	5.156	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCC1	ZINC000020218940	569356825	/nfs/dbraw/zinc/35/68/25/569356825.db2.gz	RCZUPGVNUAZFPH-UHFFFAOYSA-N	0	0	428.750	6.848	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2	ZINC000020327938	569360607	/nfs/dbraw/zinc/36/06/07/569360607.db2.gz	MKRBBJFMQOFVSE-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@H](c2cccc(Cl)c2)C2C(=O)CCCC2=N3)c1	ZINC000020327943	569360625	/nfs/dbraw/zinc/36/06/25/569360625.db2.gz	UJHJNLNRYDKBJY-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc(-c2cn(/N=C/c3ccccc3)c(NC(=O)Nc3ccc(F)cc3F)n2)s1	ZINC000020616430	569374696	/nfs/dbraw/zinc/37/46/96/569374696.db2.gz	DPNPXODNEOCKBP-BRJLIKDPSA-N	0	0	437.475	5.724	50	30		IKEARN
COc1cc(-c2cc(-c3cc4ccccc4o3)c(C#N)c(N)c2C#N)cc(OC)c1OC	ZINC000096191665	569386220	/nfs/dbraw/zinc/38/62/20/569386220.db2.gz	CSFFHNYIGGEJAY-UHFFFAOYSA-N	0	0	425.444	5.118	50	30		IKEARN
C=CCn1c(SCc2cccc(C(=O)Nc3ccc(F)cc3)c2)nnc1-c1ccco1	ZINC000096288207	569390449	/nfs/dbraw/zinc/39/04/49/569390449.db2.gz	UVITWGXWYUEMLB-UHFFFAOYSA-N	0	0	434.496	5.408	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1	ZINC000096346568	569397140	/nfs/dbraw/zinc/39/71/40/569397140.db2.gz	MVJQJXABALXQCO-RBUKOAKNSA-N	0	0	426.545	5.811	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NC(C)(C)C)n2)cc1	ZINC000096562511	569401150	/nfs/dbraw/zinc/40/11/50/569401150.db2.gz	VFZLOWJYTBALCO-UHFFFAOYSA-N	0	0	437.590	5.364	50	30		IKEARN
CC(C)=NOC(=S)N(c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1	ZINC000096564736	569401323	/nfs/dbraw/zinc/40/13/23/569401323.db2.gz	XNBOBJIWVMTYPN-UHFFFAOYSA-N	0	0	440.461	6.456	50	30		IKEARN
CC(=O)O[C@@]1(c2ccoc2)C(=O)C(C2(c3ccccc3)SCCCS2)=C1OC(C)C	ZINC000096564375	569401326	/nfs/dbraw/zinc/40/13/26/569401326.db2.gz	UEADJTXCKASNNA-QFIPXVFZSA-N	0	0	444.574	5.023	50	30		IKEARN
N#Cc1c(CSC(=O)c2ccc(F)cc2)nc(-c2ccc(F)cc2)cc1-c1ccccc1	ZINC000096592228	569401855	/nfs/dbraw/zinc/40/18/55/569401855.db2.gz	IYBFIRAWOIZEMK-UHFFFAOYSA-N	0	0	442.490	6.639	50	30		IKEARN
N#Cc1c(Br)cc(-c2ccccc2)nc1SCc1ccccc1[N+](=O)[O-]	ZINC000096592360	569401874	/nfs/dbraw/zinc/40/18/74/569401874.db2.gz	KHCIKZYPCYHUTE-UHFFFAOYSA-N	0	0	426.295	5.583	50	30		IKEARN
CC1(C)CCCN(c2nc(C#N)c(N3CCCCC3)c3c2CN(Cc2ccccc2)CC3)C1	ZINC000096592229	569401925	/nfs/dbraw/zinc/40/19/25/569401925.db2.gz	DVFNPTAGTUPQRD-UHFFFAOYSA-N	0	0	443.639	5.128	50	30		IKEARN
Cc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)N3c4ccccc4N=C[C@@H]3C2(C#N)C#N)c(C)c1	ZINC000096593867	569402048	/nfs/dbraw/zinc/40/20/48/569402048.db2.gz	XMKOJNYQAUTPQU-TWJOJJKGSA-N	0	0	445.526	5.033	50	30		IKEARN
Cc1cc2c(cc1C)n1c(C(=O)/C=C\c3ccc(N(C)C)cc3)c(-c3ccccc3)nc1n2C	ZINC000334163143	569402158	/nfs/dbraw/zinc/40/21/58/569402158.db2.gz	MKZRGQOENWGTSN-SSZFMOIBSA-N	0	0	448.570	6.072	50	30		IKEARN
CCSc1nc2ccc(/N=C/c3cc(I)ccc3O)cc2s1	ZINC000097020912	569402782	/nfs/dbraw/zinc/40/27/82/569402782.db2.gz	YRTDAXZICHTWPO-GIJQJNRQSA-N	0	0	440.331	5.469	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(C)cc2)cc1OC	ZINC000028052519	569406806	/nfs/dbraw/zinc/40/68/06/569406806.db2.gz	HUMNHWCCBPONDM-MHECFPHRSA-N	0	0	430.504	5.267	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2cccc(C)c2)cc1OC	ZINC000028052527	569406810	/nfs/dbraw/zinc/40/68/10/569406810.db2.gz	TWCIAMNXLKVWJP-MHECFPHRSA-N	0	0	430.504	5.267	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Br)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000028051610	569406851	/nfs/dbraw/zinc/40/68/51/569406851.db2.gz	HYLJVUKIDKABHT-HRAATJIYSA-N	0	0	435.321	5.704	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC	ZINC000028052531	569406867	/nfs/dbraw/zinc/40/68/67/569406867.db2.gz	VHXXFYJDKOXMIE-XDHUDOTRSA-N	0	0	430.504	5.267	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(C)c(C)c3)c2c1	ZINC000028182405	569408626	/nfs/dbraw/zinc/40/86/26/569408626.db2.gz	OEGDNQGXHQIMCN-UHFFFAOYSA-N	0	0	441.527	6.932	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccccc13)O2	ZINC000028182448	569408650	/nfs/dbraw/zinc/40/86/50/569408650.db2.gz	DBGDDNVVIJTJOT-XYGWBWBKSA-N	0	0	432.564	5.902	50	30		IKEARN
CCC[NH+](CCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(C)c3ccc(OC)cc13)O2	ZINC000028182571	569408704	/nfs/dbraw/zinc/40/87/04/569408704.db2.gz	CWPWWNGWKLOONA-CFRMEGHHSA-N	0	0	434.536	5.131	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21	ZINC000028182594	569408730	/nfs/dbraw/zinc/40/87/30/569408730.db2.gz	WCOWGGOSYCTFAU-QFEZKATASA-N	0	0	443.930	6.818	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3CCC(C)CC3)C2=O)c2cc(OC)ccc21	ZINC000028182808	569408737	/nfs/dbraw/zinc/40/87/37/569408737.db2.gz	CMBHOEYVCJCPAT-MXAYSNPKSA-N	0	0	446.547	5.224	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21	ZINC000028182667	569408745	/nfs/dbraw/zinc/40/87/45/569408745.db2.gz	RIOAIJQUVPDBRR-WGARJPEWSA-N	0	0	425.484	5.865	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000028182565	569408754	/nfs/dbraw/zinc/40/87/54/569408754.db2.gz	LQDBMUVTXLKXQX-WKIKZPBSSA-N	0	0	439.511	6.173	50	30		IKEARN
COc1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccc(OC)cc24)C3=O)cc1	ZINC000028182491	569408776	/nfs/dbraw/zinc/40/87/76/569408776.db2.gz	HWNUBSAILPTMGP-ZRGSRPPYSA-N	0	0	441.483	5.391	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21	ZINC000028182561	569408777	/nfs/dbraw/zinc/40/87/77/569408777.db2.gz	QNSBUEADBQLWEJ-WGARJPEWSA-N	0	0	439.511	6.173	50	30		IKEARN
CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cn(CC)c3ccc(OC)cc13)O2	ZINC000028182812	569408791	/nfs/dbraw/zinc/40/87/91/569408791.db2.gz	BNCBZIGIGYJUDJ-CFRMEGHHSA-N	0	0	434.536	5.224	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21	ZINC000028182853	569408975	/nfs/dbraw/zinc/40/89/75/569408975.db2.gz	FKXGRIWUNAQTNC-YSMPRRRNSA-N	0	0	438.527	5.615	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+](CC(C)C)CC(C)C)C2=O)c2ccccc21	ZINC000028182828	569408989	/nfs/dbraw/zinc/40/89/89/569408989.db2.gz	KNZBUASZAPIDPL-ZMFRSBBQSA-N	0	0	446.591	6.097	50	30		IKEARN
C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000002602897	569410117	/nfs/dbraw/zinc/41/01/17/569410117.db2.gz	NAVDYNSOFWMDQP-UHFFFAOYSA-N	0	0	433.592	5.957	50	30		IKEARN
CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2	ZINC000002602888	569410131	/nfs/dbraw/zinc/41/01/31/569410131.db2.gz	UHCMZZHMTJRBAP-UHFFFAOYSA-N	0	0	441.999	6.054	50	30		IKEARN
CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O	ZINC000002602896	569410137	/nfs/dbraw/zinc/41/01/37/569410137.db2.gz	QJDNUOIYPWEDQA-UHFFFAOYSA-N	0	0	441.999	6.141	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SC(=O)N3CCCC3)c2C#N)cc1OC	ZINC000215680321	569411357	/nfs/dbraw/zinc/41/13/57/569411357.db2.gz	NPQZZIPNGJRRSV-UHFFFAOYSA-N	0	0	445.544	5.612	50	30		IKEARN
C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002627750	569411920	/nfs/dbraw/zinc/41/19/20/569411920.db2.gz	AEBRVPOURBJFDZ-UHFFFAOYSA-N	0	0	431.565	5.771	50	30		IKEARN
Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000002636556	569413028	/nfs/dbraw/zinc/41/30/28/569413028.db2.gz	AKQIIKBCSRRDKF-UHFFFAOYSA-N	0	0	426.497	5.539	50	30		IKEARN
CCc1cc2c(ncnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)s1	ZINC000002639368	569413355	/nfs/dbraw/zinc/41/33/55/569413355.db2.gz	GLQPXVPRCCSIAR-NSHDSACASA-N	0	0	428.608	5.042	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cc1	ZINC000002639741	569413410	/nfs/dbraw/zinc/41/34/10/569413410.db2.gz	QBOWJYUAEZTQIU-UHFFFAOYSA-N	0	0	438.343	5.800	50	30		IKEARN
O=C(CSc1cccc(/N=C/c2cccnc2Cl)c1)Nc1cccc2ccccc21	ZINC000215717928	569413554	/nfs/dbraw/zinc/41/35/54/569413554.db2.gz	GVHRYHVQSCSEIP-JFLMPSFJSA-N	0	0	431.948	6.370	50	30		IKEARN
CCOc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2cccc(Cl)c2)cc1	ZINC000002640534	569413656	/nfs/dbraw/zinc/41/36/56/569413656.db2.gz	RZVHAQXHAYZXKL-UHFFFAOYSA-N	0	0	446.963	6.150	50	30		IKEARN
CC[C@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1	ZINC000215748795	569415240	/nfs/dbraw/zinc/41/52/40/569415240.db2.gz	VPQRYGJCBYYUQF-URMYYVDKSA-N	0	0	431.974	5.155	50	30		IKEARN
CC[C@@H](Sc1ccccc1/N=C/c1cccnc1Cl)C(=O)Nc1nnc(C)s1	ZINC000215748847	569415375	/nfs/dbraw/zinc/41/53/75/569415375.db2.gz	VPQRYGJCBYYUQF-XHADFYDMSA-N	0	0	431.974	5.155	50	30		IKEARN
N#Cc1c(N[C@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002678389	569416555	/nfs/dbraw/zinc/41/65/55/569416555.db2.gz	MDOCUJBIZRLWOL-KRWDZBQOSA-N	0	0	446.762	5.176	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(F)cccc3Cl)sc2C1	ZINC000002736818	569419102	/nfs/dbraw/zinc/41/91/02/569419102.db2.gz	PDUHGYQQRGTWGW-PLSXKVAHSA-N	0	0	430.976	6.605	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1	ZINC000002744321	569419870	/nfs/dbraw/zinc/41/98/70/569419870.db2.gz	JKKZDNGUKYWROQ-GOSISDBHSA-N	0	0	442.584	6.254	50	30		IKEARN
N#Cc1c(NC(=O)c2cccc(Cl)c2Cl)scc1-c1ccc(Cl)cc1Cl	ZINC000002749488	569419937	/nfs/dbraw/zinc/41/99/37/569419937.db2.gz	MGIZTSJALCDBMQ-UHFFFAOYSA-N	0	0	442.154	7.153	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)s1	ZINC000002752311	569420207	/nfs/dbraw/zinc/42/02/07/569420207.db2.gz	XBCZYCUXFAHKBL-CQSZACIVSA-N	0	0	443.597	6.582	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3c(C)onc3-c3ccccc3)sc2C1	ZINC000002757211	569420274	/nfs/dbraw/zinc/42/02/74/569420274.db2.gz	WGRKUFMHQURTPG-QGZVFWFLSA-N	0	0	433.577	6.377	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)s1	ZINC000002752310	569420324	/nfs/dbraw/zinc/42/03/24/569420324.db2.gz	XBCZYCUXFAHKBL-AWEZNQCLSA-N	0	0	443.597	6.582	50	30		IKEARN
Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)c(C)c1[N+](=O)[O-]	ZINC000002760723	569420543	/nfs/dbraw/zinc/42/05/43/569420543.db2.gz	XIVTXNQMJZEHSY-UHFFFAOYSA-N	0	0	443.573	5.199	50	30		IKEARN
COC(=O)c1ccc(CSc2nc(C(F)(F)F)c3c(c2C#N)CCc2ccccc2-3)o1	ZINC000002761703	569420599	/nfs/dbraw/zinc/42/05/99/569420599.db2.gz	NYTJMMXZDLJREY-UHFFFAOYSA-N	0	0	444.434	5.410	50	30		IKEARN
Cc1nn([C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br	ZINC000002790906	569421535	/nfs/dbraw/zinc/42/15/35/569421535.db2.gz	BYNAUSKQQZFGOL-STQMWFEESA-N	0	0	449.418	5.238	50	30		IKEARN
CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)n1	ZINC000002791617	569421601	/nfs/dbraw/zinc/42/16/01/569421601.db2.gz	WGWGVQRXUWIMDA-LLVKDONJSA-N	0	0	435.391	5.002	50	30		IKEARN
COc1ccc(C=Nn2c(C)n[nH]c2=S)cc1COc1ccccc1Cc1ccccc1	ZINC000002792182	569421910	/nfs/dbraw/zinc/42/19/10/569421910.db2.gz	BFYIIPWEXIGCCM-WGOQTCKBSA-N	0	0	444.560	5.310	50	30		IKEARN
Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c(Br)c1	ZINC000002843195	569423232	/nfs/dbraw/zinc/42/32/32/569423232.db2.gz	PJWKOZHHVWWANG-LLVKDONJSA-N	0	0	433.371	5.141	50	30		IKEARN
Cc1cc(C)c(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c(Br)c1	ZINC000002843194	569423273	/nfs/dbraw/zinc/42/32/73/569423273.db2.gz	PJWKOZHHVWWANG-NSHDSACASA-N	0	0	433.371	5.141	50	30		IKEARN
N#Cc1ccccc1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3	ZINC000002846267	569423360	/nfs/dbraw/zinc/42/33/60/569423360.db2.gz	BYYKIUAORHBLTR-UHFFFAOYSA-N	0	0	429.570	5.490	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1ccccc1	ZINC000002875722	569423845	/nfs/dbraw/zinc/42/38/45/569423845.db2.gz	PSCYOAHISXOAEK-UHFFFAOYSA-N	0	0	449.535	6.214	50	30		IKEARN
CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3Cl)c(=O)c2c1C	ZINC000002911078	569424855	/nfs/dbraw/zinc/42/48/55/569424855.db2.gz	OCBLNSDZFOACDJ-UHFFFAOYSA-N	0	0	446.016	5.558	50	30		IKEARN
CCCCCCCCNC(=O)c1sc2ncn(Cc3ccccc3F)c(=O)c2c1C	ZINC000002910974	569424868	/nfs/dbraw/zinc/42/48/68/569424868.db2.gz	OTFUXQQOLMAZFM-UHFFFAOYSA-N	0	0	429.561	5.044	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(CC)cc2)c1	ZINC000003024725	569436246	/nfs/dbraw/zinc/43/62/46/569436246.db2.gz	BOCGOKXAXCBFIS-UHFFFAOYSA-N	0	0	438.524	5.022	50	30		IKEARN
Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)cc1C	ZINC000003041846	569438475	/nfs/dbraw/zinc/43/84/75/569438475.db2.gz	NOQVWQQECKDOKW-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(C(=O)O/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3Cl)C2=O)cc1	ZINC000003063996	569439705	/nfs/dbraw/zinc/43/97/05/569439705.db2.gz	GCHLXCJTQVXSQY-QLYXXIJNSA-N	0	0	439.298	5.410	50	30		IKEARN
CC(C)(C)c1cc(Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc(C(C)(C)C)c1O	ZINC000003087916	569439894	/nfs/dbraw/zinc/43/98/94/569439894.db2.gz	ZAHIGILLBKURKF-UHFFFAOYSA-N	0	0	426.775	6.958	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)c(C)c1Cl	ZINC000003084985	569439904	/nfs/dbraw/zinc/43/99/04/569439904.db2.gz	NXAMLJUECDAUNT-CCVNUDIWSA-N	0	0	426.903	7.374	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1ccc3ccccc3c1N[C@H]2c1ccc(Br)cc1	ZINC000003084296	569439913	/nfs/dbraw/zinc/43/99/13/569439913.db2.gz	IUXBEHKJJCLTEE-QHCPKHFHSA-N	0	0	432.361	6.912	50	30		IKEARN
CN(Cc1ccco1)C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000029970044	569439937	/nfs/dbraw/zinc/43/99/37/569439937.db2.gz	NXEXHCRLYNGJNV-UHFFFAOYSA-N	0	0	437.468	5.044	50	30		IKEARN
COc1ccc([C@@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	ZINC000057589886	569440037	/nfs/dbraw/zinc/44/00/37/569440037.db2.gz	LHVPKWLJSJYRAH-VWLOTQADSA-N	0	0	427.504	5.515	50	30		IKEARN
N#Cc1ccc(Sc2ccc(Cl)cc2)c(NC(=O)c2cccc(C(F)(F)F)c2)c1	ZINC000003104434	569440195	/nfs/dbraw/zinc/44/01/95/569440195.db2.gz	ZSQUXEXNJYOSBX-UHFFFAOYSA-N	0	0	432.854	6.634	50	30		IKEARN
CSc1cc(-c2ccc(Cl)cc2)n(Cc2c(Cl)cccc2Cl)c(=O)c1C#N	ZINC000003105322	569440253	/nfs/dbraw/zinc/44/02/53/569440253.db2.gz	GHPSWXYVLYTUKI-UHFFFAOYSA-N	0	0	435.763	6.117	50	30		IKEARN
Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1	ZINC000003104529	569440278	/nfs/dbraw/zinc/44/02/78/569440278.db2.gz	IFUYCCUUDPYIAM-UHFFFAOYSA-N	0	0	445.327	5.259	50	30		IKEARN
Cc1ccc(S(=O)(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2C#N)cc1	ZINC000003104531	569440283	/nfs/dbraw/zinc/44/02/83/569440283.db2.gz	VGENYHYOKQXCBB-UHFFFAOYSA-N	0	0	445.327	5.259	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4c(cccc4C)o3)cc2)c1O	ZINC000003114099	569440436	/nfs/dbraw/zinc/44/04/36/569440436.db2.gz	LZOGAVUMPUSEMR-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cc5ccccc5cc4O)nc3c2)ccc1Cl	ZINC000003116199	569440476	/nfs/dbraw/zinc/44/04/76/569440476.db2.gz	FZZUYYFNBCGPNU-LGJNPRDNSA-N	0	0	443.846	6.666	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(C)cc2)[C@@H]3c2ccccc2)cc1	ZINC000003133494	569440723	/nfs/dbraw/zinc/44/07/23/569440723.db2.gz	JYQLFXRCUAMMQO-RBRLEXCSSA-N	0	0	432.519	7.208	50	30		IKEARN
Clc1cccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)c1	ZINC000003144706	569440833	/nfs/dbraw/zinc/44/08/33/569440833.db2.gz	MKUAKBVZWKWOKS-OCSSWDANSA-N	0	0	432.910	8.205	50	30		IKEARN
O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	ZINC000003171742	569441178	/nfs/dbraw/zinc/44/11/78/569441178.db2.gz	BFRMQKHJWLXAAO-AWEZNQCLSA-N	0	0	445.331	6.126	50	30		IKEARN
O=C(Nc1ccc(SC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	ZINC000003171741	569441195	/nfs/dbraw/zinc/44/11/95/569441195.db2.gz	BFRMQKHJWLXAAO-CQSZACIVSA-N	0	0	445.331	6.126	50	30		IKEARN
N#Cc1c(NC(=O)c2ccco2)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1	ZINC000003170729	569441216	/nfs/dbraw/zinc/44/12/16/569441216.db2.gz	PLNAJDHXAVOTBU-UHFFFAOYSA-N	0	0	435.527	7.044	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@H]2CCCO2)cc1	ZINC000003177506	569441252	/nfs/dbraw/zinc/44/12/52/569441252.db2.gz	NCRXMKZGGATECI-SNVBAGLBSA-N	0	0	436.418	5.035	50	30		IKEARN
CCOc1ccccc1N=C1SC[C@@H](C)N1C(=O)C1c2ccccc2Oc2ccccc21	ZINC000254814774	569441740	/nfs/dbraw/zinc/44/17/40/569441740.db2.gz	MTQXMUIZZNAIMP-QGZVFWFLSA-N	0	0	444.556	5.975	50	30		IKEARN
O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc2ccccc2o1	ZINC000003219112	569441927	/nfs/dbraw/zinc/44/19/27/569441927.db2.gz	QHMHFCVYDZWXGM-RPWUZVMVSA-N	0	0	449.300	6.097	50	30	biogenic	IKEARN
O=C(c1cc(Br)ccc1OCc1ccccc1)[C@@H]1O[C@H]1c1cc2ccccc2o1	ZINC000003219114	569441936	/nfs/dbraw/zinc/44/19/36/569441936.db2.gz	QHMHFCVYDZWXGM-ZEQRLZLVSA-N	0	0	449.300	6.097	50	30	biogenic	IKEARN
CC[C@H](C)CCCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O	ZINC000003244152	569442708	/nfs/dbraw/zinc/44/27/08/569442708.db2.gz	KLEMNTVKTPEXQB-SFHVURJKSA-N	0	0	448.592	5.215	50	30		IKEARN
Cc1nn(-c2ccccc2C)c2c1[C@@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2	ZINC000003257802	569443129	/nfs/dbraw/zinc/44/31/29/569443129.db2.gz	ISIRFAZESBKVDP-XMMPIXPASA-N	0	0	447.494	5.383	50	30		IKEARN
N#Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc32)c1	ZINC000003287572	569444158	/nfs/dbraw/zinc/44/41/58/569444158.db2.gz	YJHVPOIWLWRMGX-UHFFFAOYSA-N	0	0	428.289	5.788	50	30		IKEARN
CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000003293671	569444511	/nfs/dbraw/zinc/44/45/11/569444511.db2.gz	QNHJNKBAGKZWQL-GOSISDBHSA-N	0	0	444.556	6.018	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000003293672	569444531	/nfs/dbraw/zinc/44/45/31/569444531.db2.gz	QNHJNKBAGKZWQL-SFHVURJKSA-N	0	0	444.556	6.018	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21	ZINC000003314655	569445672	/nfs/dbraw/zinc/44/56/72/569445672.db2.gz	RCKMXWSAEKIHFR-UHFFFAOYSA-N	0	0	441.874	5.222	50	30		IKEARN
Cc1ccc(C)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(Cl)c2)c1	ZINC000003323079	569446091	/nfs/dbraw/zinc/44/60/91/569446091.db2.gz	WXRAKQHSCFRVAE-UHFFFAOYSA-N	0	0	430.964	6.369	50	30		IKEARN
Cc1ccc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1	ZINC000003324405	569446133	/nfs/dbraw/zinc/44/61/33/569446133.db2.gz	NHUSKOBTZZRGRI-VWLOTQADSA-N	0	0	436.559	5.782	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1C1CCCCC1	ZINC000003365313	569448116	/nfs/dbraw/zinc/44/81/16/569448116.db2.gz	KAVGAUDJPSHQSJ-UHFFFAOYSA-N	0	0	434.609	5.894	50	30		IKEARN
CCCCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc21	ZINC000003368415	569448278	/nfs/dbraw/zinc/44/82/78/569448278.db2.gz	RUNRVLMLPOJYQN-UHFFFAOYSA-N	0	0	443.565	5.978	50	30		IKEARN
C=CCn1c(SCc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)nnc1C1CCCCC1	ZINC000003405696	569449889	/nfs/dbraw/zinc/44/98/89/569449889.db2.gz	DZSXXWFCWIZJHL-UHFFFAOYSA-N	0	0	449.502	5.059	50	30		IKEARN
CC(C)[C@@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1	ZINC000003419636	569450313	/nfs/dbraw/zinc/45/03/13/569450313.db2.gz	MWBYKHRHSIVOPB-GOSISDBHSA-N	0	0	442.997	5.734	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1	ZINC000217738094	569452436	/nfs/dbraw/zinc/45/24/36/569452436.db2.gz	PQALWAMMDDOMKX-JWRUUXOFSA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1	ZINC000217826540	569453768	/nfs/dbraw/zinc/45/37/68/569453768.db2.gz	AEHDUFYLQRGKTI-ZWAQGKOVSA-N	0	0	444.508	5.474	50	30	biogenic	IKEARN
Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccc(CCC#N)c4)cc3n2)cc1	ZINC000003629649	569455205	/nfs/dbraw/zinc/45/52/05/569455205.db2.gz	HKVBDDQQZACKMH-UHFFFAOYSA-N	0	0	449.436	5.432	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NC1CCCCC1	ZINC000003664756	569455991	/nfs/dbraw/zinc/45/59/91/569455991.db2.gz	BXDIGIUWBUWTND-YDZHTSKRSA-N	0	0	425.579	5.294	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc(OC)c1OC	ZINC000003960957	569457240	/nfs/dbraw/zinc/45/72/40/569457240.db2.gz	LRFGGRBSEBBYMH-UHFFFAOYSA-N	0	0	448.342	5.044	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC	ZINC000004046043	569458405	/nfs/dbraw/zinc/45/84/05/569458405.db2.gz	BNXKWKMOTCPNTP-HHHXNRCGSA-N	0	0	427.544	6.557	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2cccc(O)c2)N(C2CCCCC2)C1=O	ZINC000004082101	569458729	/nfs/dbraw/zinc/45/87/29/569458729.db2.gz	FNCMHXRZFSKYSF-ZMPCKTLKSA-N	0	0	437.590	5.699	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(F)cc2)N(c2ccc(O)cc2)C1=O	ZINC000004109151	569459135	/nfs/dbraw/zinc/45/91/35/569459135.db2.gz	RXXRJWWFBRVIFN-JXAXBCJLSA-N	0	0	449.532	5.710	50	30		IKEARN
O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1	ZINC000004118397	569459516	/nfs/dbraw/zinc/45/95/16/569459516.db2.gz	SLUUZRPTTYEAET-FMIVXFBMSA-N	0	0	449.347	5.174	50	30		IKEARN
CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(F)cc1	ZINC000004119366	569459680	/nfs/dbraw/zinc/45/96/80/569459680.db2.gz	PIOLVQGEXCLVMJ-AFUMVMLFSA-N	0	0	435.480	5.499	50	30		IKEARN
C=CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000004136674	569460298	/nfs/dbraw/zinc/46/02/98/569460298.db2.gz	TWADNKXCZHJPEX-DYMLFOFBSA-N	0	0	439.588	5.438	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1	ZINC000004150328	569460515	/nfs/dbraw/zinc/46/05/15/569460515.db2.gz	KNCPPOGHVALJQT-SFHVURJKSA-N	0	0	427.570	5.010	50	30		IKEARN
C/N=C1\S/C(=C/c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C	ZINC000059596807	569461913	/nfs/dbraw/zinc/46/19/13/569461913.db2.gz	NOGLDMOKBGVJSZ-HSNALWFWSA-N	0	0	425.312	5.243	50	30		IKEARN
COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)cc(C)c2)c1	ZINC000066437599	569462156	/nfs/dbraw/zinc/46/21/56/569462156.db2.gz	XZRXGPLICPZRBC-UHFFFAOYSA-N	0	0	440.547	5.234	50	30	biogenic	IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(F)c2)cc1F	ZINC000066437811	569462177	/nfs/dbraw/zinc/46/21/77/569462177.db2.gz	PCWAVAMTWDJTOA-UHFFFAOYSA-N	0	0	432.474	5.195	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1cccc(OC)c1)NCCc1c[nH]c2ccccc12	ZINC000066437780	569462178	/nfs/dbraw/zinc/46/21/78/569462178.db2.gz	NRFPAIOVYQQYQK-UHFFFAOYSA-N	0	0	440.547	5.180	50	30	biogenic	IKEARN
CC(C)c1ccc(NC(=NC(=O)c2cccs2)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437774	569462179	/nfs/dbraw/zinc/46/21/79/569462179.db2.gz	TWRHLQHBARIJSN-UHFFFAOYSA-N	0	0	430.577	5.793	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2)cc1	ZINC000066437680	569462197	/nfs/dbraw/zinc/46/21/97/569462197.db2.gz	KJMAVRSDMHFUPV-UHFFFAOYSA-N	0	0	426.520	5.007	50	30		IKEARN
Cc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Br)cc3c2-c2ccccc2)o1	ZINC000008386392	569462683	/nfs/dbraw/zinc/46/26/83/569462683.db2.gz	DYNPFCBZGUZQRS-ACCUITESSA-N	0	0	432.317	6.770	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)c(Cl)c2)nc2c(c1-c1cccs1)CCCC2	ZINC000008405999	569463998	/nfs/dbraw/zinc/46/39/98/569463998.db2.gz	NCDQVCLOWQNZLD-UHFFFAOYSA-N	0	0	431.413	7.160	50	30		IKEARN
CCOc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(C)cc3)n2)cc1	ZINC000008441155	569464542	/nfs/dbraw/zinc/46/45/42/569464542.db2.gz	KYAQIQUMHYOWDO-UHFFFAOYSA-N	0	0	436.580	7.287	50	30		IKEARN
CCCc1nc(NC(=O)c2ccccc2)c(C#N)c(-c2cccc(Br)c2)c1CC	ZINC000008443376	569464674	/nfs/dbraw/zinc/46/46/74/569464674.db2.gz	FJZIBWCVFFLHSF-UHFFFAOYSA-N	0	0	448.364	6.150	50	30		IKEARN
CCOC(=O)[C@@H](C)Sc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N	ZINC000008443102	569464684	/nfs/dbraw/zinc/46/46/84/569464684.db2.gz	YDQCASKWHQRYQD-CYBMUJFWSA-N	0	0	428.966	6.046	50	30		IKEARN
Fc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=CC(Cl)=CN12	ZINC000008445276	569464808	/nfs/dbraw/zinc/46/48/08/569464808.db2.gz	KAEOUMMZLMOTTH-UHFFFAOYSA-N	0	0	432.126	5.324	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(Cl)c4)CC3)c2c1	ZINC000038651598	569465670	/nfs/dbraw/zinc/46/56/70/569465670.db2.gz	MGMZPUXZYPOPDV-UHFFFAOYSA-N	0	0	434.927	5.014	50	30		IKEARN
O=C(C1=CN[C@@H](c2nc(-c3cccnc3)cs2)[C@H]1c1ccccc1)c1ccc(Cl)cc1	ZINC000008694233	569470032	/nfs/dbraw/zinc/47/00/32/569470032.db2.gz	ZUCDXCDTCAMUQB-XZOQPEGZSA-N	0	0	443.959	6.053	50	30		IKEARN
CC(=O)c1ccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)cc1	ZINC000008722630	569471822	/nfs/dbraw/zinc/47/18/22/569471822.db2.gz	GUCWECKGHXPXSH-YLKCYHHESA-N	0	0	444.306	6.170	50	30		IKEARN
COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1cccc(C)c1	ZINC000008722656	569471847	/nfs/dbraw/zinc/47/18/47/569471847.db2.gz	FBQDQLYHLXDSDZ-AFUMVMLFSA-N	0	0	446.532	5.077	50	30		IKEARN
C=CCSc1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1	ZINC000008733634	569472523	/nfs/dbraw/zinc/47/25/23/569472523.db2.gz	NNZPJQACTMZGNL-UHFFFAOYSA-N	0	0	447.585	6.085	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)NCCOc2ccc3ccccc3c2)cc1	ZINC000008750671	569473373	/nfs/dbraw/zinc/47/33/73/569473373.db2.gz	RTHQDDICJBIVJN-UHFFFAOYSA-N	0	0	438.552	5.813	50	30		IKEARN
Cc1cc(C)nc(NC(=NC(=S)Nc2cccc(Cl)c2C)NCc2ccccc2)n1	ZINC000008757291	569474133	/nfs/dbraw/zinc/47/41/33/569474133.db2.gz	RVELXSFCWAXUAD-UHFFFAOYSA-N	0	0	438.988	5.010	50	30		IKEARN
N#Cc1c(NC2CCCCC2)nc(SCc2ccccc2Cl)nc1-c1ccccc1	ZINC000008762250	569474268	/nfs/dbraw/zinc/47/42/68/569474268.db2.gz	OYRBWZKIJHPAPS-UHFFFAOYSA-N	0	0	434.996	6.706	50	30		IKEARN
N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2ccc(Cl)cc2)c1	ZINC000008762203	569474274	/nfs/dbraw/zinc/47/42/74/569474274.db2.gz	OQBRYNGDPBBFPE-UHFFFAOYSA-N	0	0	433.747	6.922	50	30		IKEARN
FC(F)(F)c1cnc(C(N=Nc2cccc(Cl)n2)c2ccc(Cl)cc2)c(Cl)c1	ZINC000008762156	569474281	/nfs/dbraw/zinc/47/42/81/569474281.db2.gz	HOGJZKDRNSHPCA-NTFVMDSBSA-N	0	0	445.659	6.320	50	30		IKEARN
CCOc1ccc(NC2=NC(=O)SC2=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	ZINC000008763606	569474413	/nfs/dbraw/zinc/47/44/13/569474413.db2.gz	MHEARSTZMUHZRS-MOSHPQCFSA-N	0	0	435.461	5.781	50	30		IKEARN
C[C@@H](NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1	ZINC000008763346	569474434	/nfs/dbraw/zinc/47/44/34/569474434.db2.gz	ZTAJNUUCTRKCMJ-OKCZUIDTSA-N	0	0	429.545	5.090	50	30		IKEARN
CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1	ZINC000008766260	569474835	/nfs/dbraw/zinc/47/48/35/569474835.db2.gz	BDPSWEFVRZVWCQ-LPYMAVHISA-N	0	0	429.387	5.865	50	30		IKEARN
O=C(N/C=N/OCc1c(Cl)cccc1Cl)NOCc1c(Cl)cccc1Cl	ZINC000008781894	569475729	/nfs/dbraw/zinc/47/57/29/569475729.db2.gz	MCRNPDNEHJAQFP-UHFFFAOYSA-N	0	0	437.110	5.191	50	30		IKEARN
Cc1cccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)c1	ZINC000008782169	569475738	/nfs/dbraw/zinc/47/57/38/569475738.db2.gz	BFUMQVPMTCBKHW-UHFFFAOYSA-N	0	0	439.411	7.407	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1	ZINC000008781989	569475767	/nfs/dbraw/zinc/47/57/67/569475767.db2.gz	IQUCGUDURTXEDY-QMTYFTJSSA-N	0	0	448.925	6.467	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2c(F)cccc2Cl)C3)cc1	ZINC000008781988	569475781	/nfs/dbraw/zinc/47/57/81/569475781.db2.gz	IQUCGUDURTXEDY-YHAMSUFESA-N	0	0	448.925	6.467	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3cccc(Cl)c3)ccc2C1=O	ZINC000008791186	569476134	/nfs/dbraw/zinc/47/61/34/569476134.db2.gz	KOEWWJHCGXOYSZ-UOKWBDCBSA-N	0	0	430.887	6.243	50	30	biogenic	IKEARN
N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1	ZINC000008809556	569476523	/nfs/dbraw/zinc/47/65/23/569476523.db2.gz	JDDYMUGBHUNKIB-UHFFFAOYSA-N	0	0	441.581	5.757	50	30		IKEARN
COc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)cc1	ZINC000008809684	569476528	/nfs/dbraw/zinc/47/65/28/569476528.db2.gz	ZXHSZEMUTDQNGD-UHFFFAOYSA-N	0	0	438.552	6.597	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000008809717	569476542	/nfs/dbraw/zinc/47/65/42/569476542.db2.gz	TZXVUJFCIMGZSW-ZNZIZOMTSA-N	0	0	449.485	5.119	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000008817387	569476823	/nfs/dbraw/zinc/47/68/23/569476823.db2.gz	FJEKASOJDJPVBY-WNCULLNHSA-N	0	0	442.515	5.511	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008817529	569476982	/nfs/dbraw/zinc/47/69/82/569476982.db2.gz	BDFYXGMBRLNPGT-OAQYLSRUSA-N	0	0	444.512	5.597	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008818145	569476992	/nfs/dbraw/zinc/47/69/92/569476992.db2.gz	VHZOHYRWKVKIDZ-NWEVARLASA-N	0	0	445.902	5.531	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1	ZINC000008826420	569477559	/nfs/dbraw/zinc/47/75/59/569477559.db2.gz	BMPMYCNETFWDCE-QHCPKHFHSA-N	0	0	436.475	5.630	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N3)n1	ZINC000008846658	569479156	/nfs/dbraw/zinc/47/91/56/569479156.db2.gz	WJEPMVOKOODBNE-JOCHJYFZSA-N	0	0	437.370	7.051	50	30		IKEARN
Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)c1	ZINC000008853472	569479564	/nfs/dbraw/zinc/47/95/64/569479564.db2.gz	SFLZQGIPXVZJBF-OEAKJJBVSA-N	0	0	425.513	5.337	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000008854741	569479635	/nfs/dbraw/zinc/47/96/35/569479635.db2.gz	FNOYHEBTRUGYFK-QHCPKHFHSA-N	0	0	437.536	5.171	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2cccc(Cl)c2)cc1	ZINC000008857938	569479887	/nfs/dbraw/zinc/47/98/87/569479887.db2.gz	HBLGLZQWEYAKKR-QFIPXVFZSA-N	0	0	448.906	5.307	50	30		IKEARN
CC(C)Oc1ccc(C(=O)/C(=C/c2ccc(N(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000008871712	569480881	/nfs/dbraw/zinc/48/08/81/569480881.db2.gz	WCHHTWZHBMKTHS-QJOMJCCJSA-N	0	0	426.516	6.105	50	30		IKEARN
C=CCc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(CC=C)C1=O	ZINC000008872400	569480947	/nfs/dbraw/zinc/48/09/47/569480947.db2.gz	HZDFMFHDPFRAHV-XLNRJJMWSA-N	0	0	437.586	5.260	50	30		IKEARN
Oc1ccc(Cl)cc1CN=Nc1nc(NCc2ccccc2)nc(Nc2ccccc2)n1	ZINC000008872656	569481005	/nfs/dbraw/zinc/48/10/05/569481005.db2.gz	CKTRMSMOPPBPKU-CVKSISIWSA-N	0	0	445.914	5.032	50	30		IKEARN
Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1	ZINC000039404149	569481587	/nfs/dbraw/zinc/48/15/87/569481587.db2.gz	QUFVMSYOWYCWJZ-UHFFFAOYSA-N	0	0	443.459	5.343	50	30		IKEARN
O=C(/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc2ccccc2o1)c1ccccc1	ZINC000008915588	569485554	/nfs/dbraw/zinc/48/55/54/569485554.db2.gz	MVRKMJGXXJAUJI-LTGZKZEYSA-N	0	0	436.423	6.420	50	30		IKEARN
COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008915586	569485562	/nfs/dbraw/zinc/48/55/62/569485562.db2.gz	KRMZCWQIFNPRJZ-CPNJWEJPSA-N	0	0	445.471	5.286	50	30		IKEARN
C=CCSc1ncc(Cl)c(C(=O)Nc2c3ccccc3oc2C(=O)c2ccccc2)n1	ZINC000008915593	569485573	/nfs/dbraw/zinc/48/55/73/569485573.db2.gz	CDYILBYMZSBECC-UHFFFAOYSA-N	0	0	449.919	5.638	50	30		IKEARN
Cc1ccccc1CN1c2ccc(Cl)cc2[C@](O)(CC(=O)C=Cc2ccccc2)C1=O	ZINC000008922596	569486949	/nfs/dbraw/zinc/48/69/49/569486949.db2.gz	VBOAJZKGULBSLR-HEAKDJBOSA-N	0	0	431.919	5.055	50	30		IKEARN
CN1CCc2c(sc(/N=C/c3cccc(Cl)c3)c2C(=O)Nc2ccc(Cl)cc2)C1	ZINC000008923785	569487026	/nfs/dbraw/zinc/48/70/26/569487026.db2.gz	BCWNNTMSZASVJY-BRJLIKDPSA-N	0	0	444.387	6.046	50	30		IKEARN
Cc1nc2ccc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)cc2s1	ZINC000008927955	569487338	/nfs/dbraw/zinc/48/73/38/569487338.db2.gz	NRNLJULMUJRGLZ-KNNUAVEPSA-N	0	0	428.970	5.713	50	30		IKEARN
COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1	ZINC000008934240	569487937	/nfs/dbraw/zinc/48/79/37/569487937.db2.gz	YIGFLYRWYSANKM-CYXNTTPDSA-N	0	0	449.485	5.119	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2ccc(Cl)cc2Cl)C1=O	ZINC000008952260	569490024	/nfs/dbraw/zinc/49/00/24/569490024.db2.gz	IUKZGBAPYWOIJS-SXGWCWSVSA-N	0	0	438.307	5.676	50	30		IKEARN
CCCN(/C=N/c1oc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c1C#N)CCC	ZINC000008952090	569490028	/nfs/dbraw/zinc/49/00/28/569490028.db2.gz	OXCSOZOKUFRGEN-MTDXEUNCSA-N	0	0	431.536	6.284	50	30		IKEARN
N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1	ZINC000008965426	569491442	/nfs/dbraw/zinc/49/14/42/569491442.db2.gz	UEHZUYCJAOBKQF-UHFFFAOYSA-N	0	0	426.497	5.716	50	30		IKEARN
O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3ncnc4scc(-c5ccccc5)c43)o2)c1	ZINC000008970562	569492034	/nfs/dbraw/zinc/49/20/34/569492034.db2.gz	FNRUVQPSEKXRTD-RPPGKUMJSA-N	0	0	441.472	5.973	50	30		IKEARN
Cc1ccc(C(CCC(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc(C)o2)o1	ZINC000008972026	569492741	/nfs/dbraw/zinc/49/27/41/569492741.db2.gz	LFXGNYHOPQCHJZ-LPYMAVHISA-N	0	0	426.429	5.706	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2OCc2ccc(Cl)cc2)SC1=S	ZINC000008983775	569494641	/nfs/dbraw/zinc/49/46/41/569494641.db2.gz	RATOWRWPHQWHRD-WQRHYEAKSA-N	0	0	446.937	5.214	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl	ZINC000008986406	569494802	/nfs/dbraw/zinc/49/48/02/569494802.db2.gz	VQYYGXZPSUHTPV-XMMPIXPASA-N	0	0	443.374	6.691	50	30		IKEARN
Cc1cccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)c1	ZINC000008990380	569495032	/nfs/dbraw/zinc/49/50/32/569495032.db2.gz	YGDKRWHBKSECKE-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
CC(C)(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)cc1	ZINC000008990625	569495038	/nfs/dbraw/zinc/49/50/38/569495038.db2.gz	LWAFWWKMFBBDIG-HAHDFKILSA-N	0	0	434.513	5.368	50	30		IKEARN
O=C1c2ccc(OCc3c(Cl)cccc3Cl)cc2O/C1=C\c1ccc2c(c1)OCO2	ZINC000008991370	569495227	/nfs/dbraw/zinc/49/52/27/569495227.db2.gz	AAYATBYIDSOIQZ-AFPJDJCSSA-N	0	0	441.266	5.917	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)c4cccs4)c3C)C1=O)cn2C	ZINC000008993319	569495429	/nfs/dbraw/zinc/49/54/29/569495429.db2.gz	PNMFHKOIQLOJIB-SRZZPIQSSA-N	0	0	445.496	5.392	50	30		IKEARN
CCCC[S@@](=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N	ZINC000008994478	569495552	/nfs/dbraw/zinc/49/55/52/569495552.db2.gz	IEZCROJHWUNORM-MHZLTWQESA-N	0	0	439.378	5.957	50	30		IKEARN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009007963	569496210	/nfs/dbraw/zinc/49/62/10/569496210.db2.gz	AWHNIOPWOJZCQF-JOCHJYFZSA-N	0	0	446.890	5.083	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)cc2)cc1	ZINC000244947650	569496496	/nfs/dbraw/zinc/49/64/96/569496496.db2.gz	DUORJTVBVQJQNS-NRSKXHDUSA-N	0	0	448.691	8.874	50	30	biogenic	IKEARN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC	ZINC000009019004	569496815	/nfs/dbraw/zinc/49/68/15/569496815.db2.gz	WLEOBYFYPYTMKM-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccccc2F)cc1	ZINC000009020044	569496968	/nfs/dbraw/zinc/49/69/68/569496968.db2.gz	CAIOWLYTAFINAI-HSZRJFAPSA-N	0	0	447.462	5.016	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccccc2OC)c2nc3ccccc3o2)cc1	ZINC000009031495	569497069	/nfs/dbraw/zinc/49/70/69/569497069.db2.gz	CZRQXRRGBHIJGR-PYCFMQQDSA-N	0	0	427.500	6.439	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc1	ZINC000009030799	569497075	/nfs/dbraw/zinc/49/70/75/569497075.db2.gz	LBYMAGCKHUAGHX-XLNRJJMWSA-N	0	0	431.919	7.084	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1	ZINC000009045343	569498091	/nfs/dbraw/zinc/49/80/91/569498091.db2.gz	GPTAVQBLQNRPMQ-UHFFFAOYSA-N	0	0	439.540	6.228	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000009046297	569498326	/nfs/dbraw/zinc/49/83/26/569498326.db2.gz	QQLVHETVPXWTBX-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
C=CCN1c2ccccc2[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O	ZINC000009046354	569498363	/nfs/dbraw/zinc/49/83/63/569498363.db2.gz	XBTHNDWNMHJLBQ-JYFHCDHNSA-N	0	0	441.918	5.269	50	30		IKEARN
CCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000245205021	569498963	/nfs/dbraw/zinc/49/89/63/569498963.db2.gz	LBERVHLCXUMDOT-ROQNDKPUSA-N	0	0	442.684	7.571	50	30		IKEARN
CC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)S1	ZINC000009076528	569500294	/nfs/dbraw/zinc/50/02/94/569500294.db2.gz	FUJXZSHIILDOHY-RUZDIDTESA-N	0	0	443.597	6.287	50	30		IKEARN
C=CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095138	569501255	/nfs/dbraw/zinc/50/12/55/569501255.db2.gz	CUNYULOBYNDRQS-WINIVTDRSA-N	0	0	449.554	5.379	50	30		IKEARN
C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095136	569501277	/nfs/dbraw/zinc/50/12/77/569501277.db2.gz	CUNYULOBYNDRQS-PPHZAIPVSA-N	0	0	449.554	5.379	50	30		IKEARN
Cc1cnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)s1	ZINC000009111109	569502305	/nfs/dbraw/zinc/50/23/05/569502305.db2.gz	JNGWMCCSESVCFP-UHFFFAOYSA-N	0	0	448.598	5.845	50	30		IKEARN
N#CCCn1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c2ccccc21	ZINC000009111769	569502344	/nfs/dbraw/zinc/50/23/44/569502344.db2.gz	JMNVULDBXBLUCS-UHFFFAOYSA-N	0	0	445.523	5.262	50	30		IKEARN
Cc1ccc(C(C)C)c(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000009113065	569502468	/nfs/dbraw/zinc/50/24/68/569502468.db2.gz	TZJDMCVEKVXTLC-OVVQPSECSA-N	0	0	447.535	6.321	50	30		IKEARN
C=CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc(CC)cc2c1=O	ZINC000009128572	569505429	/nfs/dbraw/zinc/50/54/29/569505429.db2.gz	ODEJKIAWHCFPRD-UHFFFAOYSA-N	0	0	444.969	5.202	50	30		IKEARN
CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc5c(cc43)OCCCO5)s2)cc1	ZINC000009128626	569505465	/nfs/dbraw/zinc/50/54/65/569505465.db2.gz	GZJLRCIXDCZGMY-QNGOZBTKSA-N	0	0	446.572	5.212	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1	ZINC000009144993	569507369	/nfs/dbraw/zinc/50/73/69/569507369.db2.gz	ZUWAGMUREHBHMM-UHFFFAOYSA-N	0	0	427.554	6.080	50	30		IKEARN
C=C(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3	ZINC000009144876	569507418	/nfs/dbraw/zinc/50/74/18/569507418.db2.gz	CHEFASWGPNAYOI-UHFFFAOYSA-N	0	0	433.602	6.426	50	30		IKEARN
CC(C)COc1ccc(/C(CCCC/C(=N\O)c2ccc(OCC(C)C)cc2)=N/O)cc1	ZINC000009144810	569507424	/nfs/dbraw/zinc/50/74/24/569507424.db2.gz	GAEFSJHIELENMF-NBHCHVEOSA-N	0	0	440.584	6.373	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2C1	ZINC000009158194	569508455	/nfs/dbraw/zinc/50/84/55/569508455.db2.gz	UFFLWBZRTUICHD-OAHLLOKOSA-N	0	0	440.524	5.770	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1ccc2c(c1)OCO2	ZINC000009158058	569508456	/nfs/dbraw/zinc/50/84/56/569508456.db2.gz	VBIYYJYYZRDVIF-FBHDLOMBSA-N	0	0	438.794	5.043	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2C1	ZINC000009158195	569508460	/nfs/dbraw/zinc/50/84/60/569508460.db2.gz	UFFLWBZRTUICHD-HNNXBMFYSA-N	0	0	440.524	5.770	50	30		IKEARN
C[C@H](Sc1nccn1Cc1ccccc1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000009199500	569511120	/nfs/dbraw/zinc/51/11/20/569511120.db2.gz	QFOAKMHXJAKBRU-INIZCTEOSA-N	0	0	436.606	5.253	50	30		IKEARN
COc1cc(C(=O)Nc2cccc(C#N)c2)cc(Br)c1OCc1ccccc1	ZINC000009222831	569512814	/nfs/dbraw/zinc/51/28/14/569512814.db2.gz	RAMPWGJXMZTJOF-UHFFFAOYSA-N	0	0	437.293	5.161	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(F)cc3)sc2c1	ZINC000009234001	569513922	/nfs/dbraw/zinc/51/39/22/569513922.db2.gz	CATUEGNQZGESCX-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
C=C(C)C(=O)N(CC[C@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1	ZINC000009235174	569514110	/nfs/dbraw/zinc/51/41/10/569514110.db2.gz	IDXJTIWZDBAFJH-GDLZYMKVSA-N	0	0	448.651	5.866	50	30		IKEARN
CC(=O)C1=C(C)Oc2ncn3nc(-c4ccc(Cl)cc4Cl)nc3c2[C@H]1c1ccco1	ZINC000009253352	569516198	/nfs/dbraw/zinc/51/61/98/569516198.db2.gz	IIRCAJHZFIRMFP-KRWDZBQOSA-N	0	0	441.274	5.078	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009261466	569516916	/nfs/dbraw/zinc/51/69/16/569516916.db2.gz	AFXVEHLHXHVVBO-PBHICJAKSA-N	0	0	444.988	5.318	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1cc2ccccc2o1	ZINC000009261453	569516947	/nfs/dbraw/zinc/51/69/47/569516947.db2.gz	KULIIZBBAWGJGY-UHFFFAOYSA-N	0	0	436.562	5.330	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009261478	569516956	/nfs/dbraw/zinc/51/69/56/569516956.db2.gz	AFXVEHLHXHVVBO-WMLDXEAASA-N	0	0	444.988	5.318	50	30		IKEARN
CC/N=C1/S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C(=O)N1CC	ZINC000009261554	569516965	/nfs/dbraw/zinc/51/69/65/569516965.db2.gz	VZESTVTXFIMOOI-RDQSSUSYSA-N	0	0	438.622	5.218	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2OCC)nnc1-c1cc2ccccc2o1	ZINC000009262869	569517127	/nfs/dbraw/zinc/51/71/27/569517127.db2.gz	XPARMPNEIXCCOM-UHFFFAOYSA-N	0	0	434.521	5.007	50	30		IKEARN
CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009270872	569517664	/nfs/dbraw/zinc/51/76/64/569517664.db2.gz	YSLRDVYZMDKANX-JOCHJYFZSA-N	0	0	433.891	5.522	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1	ZINC000009271493	569517793	/nfs/dbraw/zinc/51/77/93/569517793.db2.gz	UUYCYWLPNAIMEE-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000009271588	569517828	/nfs/dbraw/zinc/51/78/28/569517828.db2.gz	YBYAGDZELJVOKD-OAQYLSRUSA-N	0	0	426.497	5.388	50	30		IKEARN
O=C1C=C2C(=N[C@]34CCCC[C@@H]3[C@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21	ZINC000009272395	569517900	/nfs/dbraw/zinc/51/79/00/569517900.db2.gz	WCSNDIBBXOJAOR-HEHLMWRFSA-N	0	0	442.562	6.597	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000009272804	569517969	/nfs/dbraw/zinc/51/79/69/569517969.db2.gz	BGNSDCKQVAQFLK-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000009272800	569518009	/nfs/dbraw/zinc/51/80/09/569518009.db2.gz	WJIGZNABDHCGEH-QFIPXVFZSA-N	0	0	433.891	5.522	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000009272628	569518048	/nfs/dbraw/zinc/51/80/48/569518048.db2.gz	QOSSRUJFXGWGNB-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2cccc3ccccc23)C1=O	ZINC000009280110	569518521	/nfs/dbraw/zinc/51/85/21/569518521.db2.gz	CBRLGKFIWQUIKP-QNGOZBTKSA-N	0	0	443.524	5.010	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cccnc1)C2=O)N(c1ccccc1)c1ccccc1	ZINC000009282069	569518675	/nfs/dbraw/zinc/51/86/75/569518675.db2.gz	IUMGQZBDXQQQEU-XYGWBWBKSA-N	0	0	434.451	6.035	50	30		IKEARN
C=CCn1c(SCC(=O)N(CC)c2cccc3ccccc32)nnc1-c1ccccc1	ZINC000009283065	569518778	/nfs/dbraw/zinc/51/87/78/569518778.db2.gz	RKXFSRBXCFERIQ-UHFFFAOYSA-N	0	0	428.561	5.430	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C(C)C)c(OC)cc2C)C1=O	ZINC000009295951	569520412	/nfs/dbraw/zinc/52/04/12/569520412.db2.gz	GZDZPZGFBRXNME-STZFKDTASA-N	0	0	437.561	5.671	50	30		IKEARN
C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1	ZINC000009301377	569520718	/nfs/dbraw/zinc/52/07/18/569520718.db2.gz	LYFJQNSFHABRNL-AZGAKELHSA-N	0	0	430.935	6.456	50	30		IKEARN
C=C(C)COc1ccc2c(C)c(CC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1C	ZINC000009303856	569521080	/nfs/dbraw/zinc/52/10/80/569521080.db2.gz	MHJMDDHRPOJYHR-UHFFFAOYSA-N	0	0	434.517	5.156	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009312663	569521815	/nfs/dbraw/zinc/52/18/15/569521815.db2.gz	VONWDIDJWONXBY-CJAUYULYSA-N	0	0	439.511	5.097	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1	ZINC000009319309	569522475	/nfs/dbraw/zinc/52/24/75/569522475.db2.gz	XOAAHTJFEJHVDY-JAIQZWGSSA-N	0	0	439.782	5.223	50	30		IKEARN
COc1ccc(-c2c(NC(=O)c3ccccc3)oc3ccc(Cl)cc3c2=O)cc1OC	ZINC000009327707	569522764	/nfs/dbraw/zinc/52/27/64/569522764.db2.gz	OWDYKAPMOGSBLO-UHFFFAOYSA-N	0	0	435.863	5.767	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@H](c3c[nH]c4ccccc43)C12	ZINC000009329707	569522956	/nfs/dbraw/zinc/52/29/56/569522956.db2.gz	CKVDPHQYKOMKDF-SPLOXXLWSA-N	0	0	449.436	5.194	50	30		IKEARN
CCOC(=O)c1c(-c2ccc(C)cc2)csc1/N=C/c1cc(Br)ccc1O	ZINC000009335038	569523313	/nfs/dbraw/zinc/52/33/13/569523313.db2.gz	LJEILYKSRQCFEX-FOKLQQMPSA-N	0	0	444.350	6.119	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2ccc(CN=Nc3ncnc4scc(-c5ccccc5)c43)o2)cc1	ZINC000009345064	569524075	/nfs/dbraw/zinc/52/40/75/569524075.db2.gz	HGUWJLILPSRAQU-RPPGKUMJSA-N	0	0	441.472	5.973	50	30		IKEARN
CC(=O)C1=C(C)Oc2ncn3nc(-c4cc5ccccc5cc4O)nc3c2[C@@H]1c1ccccc1	ZINC000009348037	569524364	/nfs/dbraw/zinc/52/43/64/569524364.db2.gz	FMFNUCYYKLIUEQ-HSZRJFAPSA-N	0	0	448.482	5.037	50	30		IKEARN
COc1ccc(-c2nc3ccccc3c(N=NC(C)c3ccc(Cl)c(Cl)c3)n2)cc1	ZINC000009348438	569524455	/nfs/dbraw/zinc/52/44/55/569524455.db2.gz	RVOFUNGRNDAQTH-CCVNUDIWSA-N	0	0	437.330	6.448	50	30		IKEARN
COc1ccc(C=NNc2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1	ZINC000009354886	569525185	/nfs/dbraw/zinc/52/51/85/569525185.db2.gz	ZTVRELBHROLSIO-MFKUBSTISA-N	0	0	432.321	6.119	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000009356897	569525489	/nfs/dbraw/zinc/52/54/89/569525489.db2.gz	KIUQVNXXFIFBTF-JOCHJYFZSA-N	0	0	433.891	5.440	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2cccc(F)c2)cc1	ZINC000009357959	569525582	/nfs/dbraw/zinc/52/55/82/569525582.db2.gz	CTGSYTYMMWJPPE-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc(F)cc2C(=O)/C=C/c2ccccc2Cl)cc1OC	ZINC000009362743	569525908	/nfs/dbraw/zinc/52/59/08/569525908.db2.gz	GKRICMIIILGUKA-JXMROGBWSA-N	0	0	440.854	5.612	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl	ZINC000009370728	569526783	/nfs/dbraw/zinc/52/67/83/569526783.db2.gz	WLSWQWVNLFYOOH-OAQYLSRUSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009370810	569526834	/nfs/dbraw/zinc/52/68/34/569526834.db2.gz	LREHHTWOUITJQE-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)c1	ZINC000009370833	569526859	/nfs/dbraw/zinc/52/68/59/569526859.db2.gz	JJOJGHBTMVKRMC-XKVZMTQCSA-N	0	0	429.903	5.831	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000009374100	569527075	/nfs/dbraw/zinc/52/70/75/569527075.db2.gz	NFUIYLGWKYQGAO-RBBKRZOGSA-N	0	0	439.939	5.221	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(Nc2cc(Cl)cc(Cl)c2)c1CCC(C)C	ZINC000009375106	569527184	/nfs/dbraw/zinc/52/71/84/569527184.db2.gz	RHQCSPPPDPFWAR-UHFFFAOYSA-N	0	0	437.374	7.307	50	30		IKEARN
S=C1N=NC(c2cc(-c3ccccc3)n[nH]2)N1N=Cc1cccc(Oc2ccccc2)c1	ZINC000009375057	569527219	/nfs/dbraw/zinc/52/72/19/569527219.db2.gz	UNVIJUINKSQFCK-PCLIKHOPSA-N	0	0	438.516	5.298	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(Br)cc1	ZINC000009380692	569527974	/nfs/dbraw/zinc/52/79/74/569527974.db2.gz	DQABYKGBWCPQHX-LJQANCHMSA-N	0	0	428.326	5.136	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000009380686	569527982	/nfs/dbraw/zinc/52/79/82/569527982.db2.gz	JNEQRSUNGPWPNL-JOCHJYFZSA-N	0	0	433.891	5.440	50	30		IKEARN
Cc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1	ZINC000009419217	569532575	/nfs/dbraw/zinc/53/25/75/569532575.db2.gz	JXRFANOIPHASNZ-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2	ZINC000009420592	569532655	/nfs/dbraw/zinc/53/26/55/569532655.db2.gz	FBNASVVGMBAFSK-LBPRGKRZSA-N	0	0	427.536	5.130	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4OC)ccc3C1=O)cn2C	ZINC000009422003	569532824	/nfs/dbraw/zinc/53/28/24/569532824.db2.gz	XVVWITMAFLNCAT-RPPGKUMJSA-N	0	0	441.483	5.391	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCC(=O)OC(C)(C)C)ccc3C2=O)c2cc(OC)ccc21	ZINC000009422406	569532847	/nfs/dbraw/zinc/53/28/47/569532847.db2.gz	GQWIGWHKQSVVMS-FOKLQQMPSA-N	0	0	449.503	5.007	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3Cl)n2)cc1	ZINC000009421996	569532861	/nfs/dbraw/zinc/53/28/61/569532861.db2.gz	DHJOABMMRLMLHC-UHFFFAOYSA-N	0	0	434.870	6.593	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccccc4C)c3C)C2=O)c2ccccc21	ZINC000009422732	569532901	/nfs/dbraw/zinc/53/29/01/569532901.db2.gz	ZGINXNMAINJUFH-MFKUBSTISA-N	0	0	437.495	6.113	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C#N)cc3)n2)cc1	ZINC000009423419	569532934	/nfs/dbraw/zinc/53/29/34/569532934.db2.gz	MMFCAUSTSBJMNR-UHFFFAOYSA-N	0	0	425.435	5.812	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000009423203	569532935	/nfs/dbraw/zinc/53/29/35/569532935.db2.gz	AJCHROPVPRFUPO-RPPGKUMJSA-N	0	0	443.474	6.004	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)C4CCCCC4)ccc3C2=O)c2cc(OC)ccc21	ZINC000009423531	569532941	/nfs/dbraw/zinc/53/29/41/569532941.db2.gz	DTPFJTDKDRQKOZ-DHRITJCHSA-N	0	0	445.515	5.772	50	30		IKEARN
N#Cc1c(SCCCC(=O)c2ccc(F)cc2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000009423026	569532954	/nfs/dbraw/zinc/53/29/54/569532954.db2.gz	WYEJHXHNXABFFA-UHFFFAOYSA-N	0	0	444.453	6.533	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4)c3C)C2=O)c2cc(OC)ccc21	ZINC000009423758	569533018	/nfs/dbraw/zinc/53/30/18/569533018.db2.gz	QNSBUEADBQLWEJ-VULFUBBASA-N	0	0	439.511	6.173	50	30		IKEARN
CC(C)Oc1ccc(-c2nc3ccccc3c(NN=Cc3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000009428450	569533531	/nfs/dbraw/zinc/53/35/31/569533531.db2.gz	HFXLDSVOLUUBDU-MFKUBSTISA-N	0	0	427.464	5.438	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccccc2C#N)[C@@H]1c1cccs1	ZINC000009433266	569534560	/nfs/dbraw/zinc/53/45/60/569534560.db2.gz	ZPNSYCMRUOZQQI-GOTSBHOMSA-N	0	0	429.545	5.195	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009433792	569534611	/nfs/dbraw/zinc/53/46/11/569534611.db2.gz	YXFZMSMIGYMCDQ-NRFANRHFSA-N	0	0	437.879	5.110	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1	ZINC000009433802	569534619	/nfs/dbraw/zinc/53/46/19/569534619.db2.gz	FBYPDFQFWBGNMS-IBGZPJMESA-N	0	0	428.271	5.365	50	30		IKEARN
COc1ccccc1NC(=O)CSc1nc(-c2cccs2)c2c(c1C#N)CCCC2	ZINC000009435173	569534755	/nfs/dbraw/zinc/53/47/55/569534755.db2.gz	GVYJYKGTDFXNLT-UHFFFAOYSA-N	0	0	435.574	5.300	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(F)cc3)ccc2C1=O	ZINC000009450559	569536299	/nfs/dbraw/zinc/53/62/99/569536299.db2.gz	AELSKUVTZRNISM-IZVPMIMASA-N	0	0	428.415	5.368	50	30		IKEARN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)[C@@H](C#N)c2nc(C)cs2)cc1	ZINC000009468670	569538684	/nfs/dbraw/zinc/53/86/84/569538684.db2.gz	UNPLLBGUYFGDCX-GOSISDBHSA-N	0	0	448.573	5.158	50	30		IKEARN
N#Cc1ccsc1NC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccccc1	ZINC000009468680	569538702	/nfs/dbraw/zinc/53/87/02/569538702.db2.gz	ZBCQLEYVTZIAQQ-UHFFFAOYSA-N	0	0	448.548	5.401	50	30		IKEARN
Cc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1cc2occc2n1C	ZINC000009477778	569539238	/nfs/dbraw/zinc/53/92/38/569539238.db2.gz	RJGCGVPOPSDERW-UHFFFAOYSA-N	0	0	425.517	5.491	50	30		IKEARN
O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2	ZINC000009486242	569539613	/nfs/dbraw/zinc/53/96/13/569539613.db2.gz	MRFTVKPEYRPCTH-AFPJDJCSSA-N	0	0	438.838	5.541	50	30		IKEARN
Cc1ccc(C)c(-n2c(COc3ccc(Cl)cc3Cl)nnc2S[C@H](C)C#N)c1	ZINC000009491213	569540361	/nfs/dbraw/zinc/54/03/61/569540361.db2.gz	VRYWTOXDDNYXSK-CQSZACIVSA-N	0	0	433.364	5.774	50	30		IKEARN
Cc1nc(-c2cccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)c2)cs1	ZINC000009514116	569543142	/nfs/dbraw/zinc/54/31/42/569543142.db2.gz	CYMUNNLMZBKRAL-UHFFFAOYSA-N	0	0	441.581	6.535	50	30		IKEARN
CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000009554177	569546803	/nfs/dbraw/zinc/54/68/03/569546803.db2.gz	DLXSERYFGGKXCL-VWLOTQADSA-N	0	0	426.472	5.037	50	30		IKEARN
CCCC/N=C(/C=C1\SN(CCC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1	ZINC000009554192	569546804	/nfs/dbraw/zinc/54/68/04/569546804.db2.gz	WIORRTOUMOHFKB-UJFUEMKZSA-N	0	0	444.069	6.936	50	30		IKEARN
C=CCn1c(SCC(=O)c2oc3ccccc3c2C)nnc1[C@H]1COc2ccccc2O1	ZINC000009578521	569548354	/nfs/dbraw/zinc/54/83/54/569548354.db2.gz	SWKGAJHBMAUKTG-OAQYLSRUSA-N	0	0	447.516	5.006	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2nsc(-c3ccc(C(C)(C)C)cc3)n2)n1	ZINC000009591118	569550147	/nfs/dbraw/zinc/55/01/47/569550147.db2.gz	ZZRZQOQPKPMHSP-UHFFFAOYSA-N	0	0	437.594	5.117	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597321	569550882	/nfs/dbraw/zinc/55/08/82/569550882.db2.gz	HQBKRZPRWVGCDG-NRFANRHFSA-N	0	0	431.967	6.493	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597276	569550884	/nfs/dbraw/zinc/55/08/84/569550884.db2.gz	ZBAISACIXZAJKW-QFIPXVFZSA-N	0	0	442.563	5.352	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@H](c3ccccc3Cl)C12	ZINC000009597401	569550910	/nfs/dbraw/zinc/55/09/10/569550910.db2.gz	YJIAKZCIYDVBLB-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597340	569550917	/nfs/dbraw/zinc/55/09/17/569550917.db2.gz	RRBLGNUYBZGXNA-QHCPKHFHSA-N	0	0	440.591	5.906	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C#N)c3ccccc3n2)o1	ZINC000009631977	569553868	/nfs/dbraw/zinc/55/38/68/569553868.db2.gz	GFGMNQIYVNUVQP-UHFFFAOYSA-N	0	0	445.862	5.124	50	30		IKEARN
COc1ccc(C(=O)/C(=C\c2cccc(Br)c2)c2nc3ccccc3o2)cc1	ZINC000009637451	569554772	/nfs/dbraw/zinc/55/47/72/569554772.db2.gz	BCUUUDAXHAYMIM-XMHGGMMESA-N	0	0	434.289	6.022	50	30		IKEARN
Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4cc(Cl)ccc4C#N)c23)cc1	ZINC000009703890	569561414	/nfs/dbraw/zinc/56/14/14/569561414.db2.gz	ZQVLFTXUGKNOPX-UHFFFAOYSA-N	0	0	434.908	5.209	50	30		IKEARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCC/N=C/c1cc(Br)ccc1O	ZINC000009721048	569563312	/nfs/dbraw/zinc/56/33/12/569563312.db2.gz	RHYWPDNDTWTBMW-LSHDLFTRSA-N	0	0	446.223	5.003	50	30		IKEARN
C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N	ZINC000009729571	569564304	/nfs/dbraw/zinc/56/43/04/569564304.db2.gz	BITMMWGSGPGUGX-CYBMUJFWSA-N	0	0	436.587	5.858	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1ncnc3sc(-c4ccccc4)cc31)CCC2	ZINC000009730142	569564329	/nfs/dbraw/zinc/56/43/29/569564329.db2.gz	SWCCYIFPSJTTJM-UHFFFAOYSA-N	0	0	448.598	5.511	50	30		IKEARN
CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)cc1	ZINC000009731848	569564769	/nfs/dbraw/zinc/56/47/69/569564769.db2.gz	NJAVUQHUCUXTIU-QFIPXVFZSA-N	0	0	448.954	5.655	50	30		IKEARN
COc1cc(C=NNc2nc3ccccc3s2)ccc1OCCCOc1ccc(C)cc1	ZINC000009762996	569566601	/nfs/dbraw/zinc/56/66/01/569566601.db2.gz	AEJVMBCAVVQZNI-YZSQISJMSA-N	0	0	447.560	5.907	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1	ZINC000009779444	569567367	/nfs/dbraw/zinc/56/73/67/569567367.db2.gz	FQFPHGIEPQTZQF-RBISFHTESA-N	0	0	436.555	6.243	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000009779440	569567387	/nfs/dbraw/zinc/56/73/87/569567387.db2.gz	FQFPHGIEPQTZQF-DWACAAAGSA-N	0	0	436.555	6.243	50	30		IKEARN
C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000009805650	569568733	/nfs/dbraw/zinc/56/87/33/569568733.db2.gz	NFDZXXPGUOQRCV-UHFFFAOYSA-N	0	0	431.315	5.094	50	30		IKEARN
CC(C)c1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3)nc3c2CCCC3)cc1	ZINC000009805542	569568755	/nfs/dbraw/zinc/56/87/55/569568755.db2.gz	CDCKDRWKHGJVQE-UHFFFAOYSA-N	0	0	441.600	6.353	50	30		IKEARN
Fc1ccc(Cn2cc(CN=Nc3c(F)c(F)c(F)c(F)c3F)c3ccccc32)cc1	ZINC000009805730	569568788	/nfs/dbraw/zinc/56/87/88/569568788.db2.gz	KDDUXPHPIVFDND-JNNAGZRYSA-N	0	0	433.355	5.970	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(SC)c2)c1	ZINC000009822649	569569539	/nfs/dbraw/zinc/56/95/39/569569539.db2.gz	VXZWSQSGKXWGPY-UHFFFAOYSA-N	0	0	438.574	5.042	50	30		IKEARN
CCOC(=O)c1c(/N=C\c2cc(Br)cc(OC)c2O)sc2c1CCCC2	ZINC000009846991	569571054	/nfs/dbraw/zinc/57/10/54/569571054.db2.gz	FPBONRSHIXGXQJ-FBHDLOMBSA-N	0	0	438.343	5.031	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861341	569571980	/nfs/dbraw/zinc/57/19/80/569571980.db2.gz	VMKGWHZLRLLONO-DEOSSOPVSA-N	0	0	443.374	6.691	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000009861344	569572000	/nfs/dbraw/zinc/57/20/00/569572000.db2.gz	YRYPSTAXPBKBDQ-XMMPIXPASA-N	0	0	443.374	6.691	50	30		IKEARN
N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)o2)cc1	ZINC000009892608	569573037	/nfs/dbraw/zinc/57/30/37/569573037.db2.gz	IOTOIZHVAMYJOC-GRSHGNNSSA-N	0	0	438.270	5.218	50	30		IKEARN
CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)C[C@H](C)CC3)cc1	ZINC000009907657	569573175	/nfs/dbraw/zinc/57/31/75/569573175.db2.gz	CYZPROLUPJYXBY-AKBIMGJMSA-N	0	0	448.588	6.283	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C	ZINC000009953286	569574718	/nfs/dbraw/zinc/57/47/18/569574718.db2.gz	BESNSNGNYOEGRB-UHFFFAOYSA-N	0	0	446.576	5.474	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1ccccc1Cl)c1ccccc1	ZINC000009993308	569576968	/nfs/dbraw/zinc/57/69/68/569576968.db2.gz	SDEWEGVSYLVQCF-FQEVSTJZSA-N	0	0	446.915	5.733	50	30		IKEARN
N#Cc1c(SC[S@](=O)Cc2ccccc2)nc(-c2cccs2)cc1-c1ccccc1	ZINC000009993103	569576975	/nfs/dbraw/zinc/57/69/75/569576975.db2.gz	ZNWZQLDLWBXZEE-PMERELPUSA-N	0	0	446.622	6.347	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000010013553	569577059	/nfs/dbraw/zinc/57/70/59/569577059.db2.gz	YLLVITODJAWYSI-VWLOTQADSA-N	0	0	447.554	5.279	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013759	569577096	/nfs/dbraw/zinc/57/70/96/569577096.db2.gz	WYWCKUXRFSLLDC-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)COC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000010034842	569577370	/nfs/dbraw/zinc/57/73/70/569577370.db2.gz	ZBNYZBUCDIEYLZ-UHFFFAOYSA-N	0	0	429.541	6.047	50	30		IKEARN
N#Cc1ccc(C(=O)N(Cc2ccccn2)c2nc3ccc(Br)cc3s2)cc1	ZINC000010187644	569578665	/nfs/dbraw/zinc/57/86/65/569578665.db2.gz	UQUYZKBIUWVJOB-UHFFFAOYSA-N	0	0	449.333	5.172	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1	ZINC000010229262	569579312	/nfs/dbraw/zinc/57/93/12/569579312.db2.gz	NVGZZYXDNPWVBP-UHFFFAOYSA-N	0	0	444.438	5.025	50	30		IKEARN
C=CCn1c(SCC(=O)NC[C@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1	ZINC000010240197	569579717	/nfs/dbraw/zinc/57/97/17/569579717.db2.gz	MZLNVSXRVNLUKL-KRWDZBQOSA-N	0	0	441.000	5.187	50	30		IKEARN
C=CCOc1ccc2c(c1)C(=NN=c1[nH]c3ccccc3s1)c1cc(OCC=C)ccc1-2	ZINC000020615555	569582877	/nfs/dbraw/zinc/58/28/77/569582877.db2.gz	HFJNYWPHKLIBQQ-UHFFFAOYSA-N	0	0	439.540	6.271	50	30		IKEARN
Cc1c(C=NN=c2[nH]c3ccccc3s2)c2cc(C)ccc2n1CCOc1ccccc1	ZINC000001861045	569583075	/nfs/dbraw/zinc/58/30/75/569583075.db2.gz	CQFVMJFYEKIOFV-WPWMEQJKSA-N	0	0	440.572	6.393	50	30		IKEARN
O=C(Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1ccccc1)c1cccs1	ZINC000008867528	569583975	/nfs/dbraw/zinc/58/39/75/569583975.db2.gz	AIYSKVAHEGAKBE-LPYMAVHISA-N	0	0	449.517	5.478	50	30		IKEARN
Cc1ccc(C(=O)CC(N=Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)C(F)(F)F)cc1	ZINC000016949159	569584110	/nfs/dbraw/zinc/58/41/10/569584110.db2.gz	PKLZNQISYWIZIV-BWAHOGKJSA-N	0	0	448.426	5.630	50	30		IKEARN
COc1cc(C=NNc2nc3ccccc3s2)cc(OC)c1OCCOc1ccccc1	ZINC000008952458	569584164	/nfs/dbraw/zinc/58/41/64/569584164.db2.gz	KJKSTWALRSJEDE-PCLIKHOPSA-N	0	0	449.532	5.217	50	30		IKEARN
Cc1ccccc1OCCCn1cc(C=NN=c2[nH]c3ccccc3s2)c2ccccc21	ZINC000001849961	569584575	/nfs/dbraw/zinc/58/45/75/569584575.db2.gz	UMDKFHHMWCZKTR-WPWMEQJKSA-N	0	0	440.572	6.475	50	30		IKEARN
C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12	ZINC000004556741	569587509	/nfs/dbraw/zinc/58/75/09/569587509.db2.gz	MQYXUWHLBZFQQO-CKEBZWMRSA-N	0	0	426.729	8.025	50	30		IKEARN
O=C1C=CC=C/C1=C/C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1	ZINC000409415902	569588115	/nfs/dbraw/zinc/58/81/15/569588115.db2.gz	OKJYKDQIGPYCKE-XXGYMJRSSA-N	0	0	426.515	5.352	50	30		IKEARN
O=C1C=CC(=CC=c2ccc(=C3C=C(c4ccccc4)C=C(c4ccccc4)O3)cc2)C=C1	ZINC000409415890	569588140	/nfs/dbraw/zinc/58/81/40/569588140.db2.gz	GRCMPWDXDVUTIZ-UHFFFAOYSA-N	0	0	426.515	5.352	50	30		IKEARN
CCCCCCCCCCCCCCCCNS(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000100061149	569588148	/nfs/dbraw/zinc/58/81/48/569588148.db2.gz	SRINSKRTFYOAQP-UHFFFAOYSA-N	0	0	438.678	6.405	50	30		IKEARN
CCCCCCCCCCCC(=O)NCCCNC(=O)CCCCCCCCCCC	ZINC000100924675	569588149	/nfs/dbraw/zinc/58/81/49/569588149.db2.gz	FFWOOWBZYXDIJQ-UHFFFAOYSA-N	0	0	438.741	7.451	50	30		IKEARN
CC1=C(C)C(=O)C(CC[C@](C)(O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)=C(C)C1=O	ZINC000008214693	574412763	/nfs/dbraw/zinc/41/27/63/574412763.db2.gz	LTVDFSLWFKLJDQ-IEOSBIPESA-N	0	0	446.716	7.761	50	30	endogenous,investigational	IKEARN
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4Cc5nc6nc7ccccc7n6cc5C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000013448389	252327743	/nfs/dbraw/zinc/32/77/43/252327743.db2.gz	AIIXYCDTEGICEE-HZVAOYAWSA-N	0	0	439.603	5.204	50	30	in-vitro	IKEARN
N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)c(F)c1	ZINC000033307424	122796814	/nfs/dbraw/zinc/79/68/14/122796814.db2.gz	UOCKBPIFHXQMJQ-UHFFFAOYSA-N	0	0	448.841	5.232	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C/c3ccc(SC)cc3)S/C2=N/c2ccccc2)cc1	ZINC000100236800	123470358	/nfs/dbraw/zinc/47/03/58/123470358.db2.gz	BONVVIFJTJKCFX-IVCURSBOSA-N	0	0	446.597	6.221	50	30		IKEARN
CCOC(=O)[C@@H](CC)Sc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000006134578	193880461	/nfs/dbraw/zinc/88/04/61/193880461.db2.gz	JJVQOPITPCPTBY-HSZRJFAPSA-N	0	0	432.545	5.730	50	30		IKEARN
Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2	ZINC000000985526	132236781	/nfs/dbraw/zinc/23/67/81/132236781.db2.gz	GZPBSMPILJHKDP-UHFFFAOYSA-N	0	0	443.591	5.619	50	30		IKEARN
N#Cc1c2c(c(NC3CCCCC3)nc1N1CCCCC1)CN(Cc1ccccc1)CC2	ZINC000006229279	132276685	/nfs/dbraw/zinc/27/66/85/132276685.db2.gz	NSNPCYRQQKEXFP-UHFFFAOYSA-N	0	0	429.612	5.246	50	30		IKEARN
N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)cc1	ZINC000013110617	132344662	/nfs/dbraw/zinc/34/46/62/132344662.db2.gz	DLNWBXZXKHTZMW-UHFFFAOYSA-N	0	0	440.322	5.509	50	30	aggregator	IKEARN
CCCCCCCNC(CC)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	ZINC000100171813	517555774	/nfs/dbraw/zinc/55/57/74/517555774.db2.gz	IUGPJQFYFLHJNY-SAPNQHFASA-N	0	0	438.519	5.785	50	30		IKEARN
O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F	ZINC000096767457	518198000	/nfs/dbraw/zinc/19/80/00/518198000.db2.gz	ASEVCKUUHATXDL-VURMDHGXSA-N	0	0	429.404	5.034	50	30		IKEARN
O=C1/C(=C/c2ccc(-c3ccccc3)cc2)CCC/C1=C\c1ccc(-c2ccccc2)cc1	ZINC000027469486	518202332	/nfs/dbraw/zinc/20/23/32/518202332.db2.gz	MXKYVDMQCYMRGK-WECXDZCISA-N	0	0	426.559	8.241	50	30		IKEARN
Brc1ccc(-c2nc(N=NCc3cccnc3)cc(-c3ccccc3)n2)cc1	ZINC000013452429	518208069	/nfs/dbraw/zinc/20/80/69/518208069.db2.gz	RPBNQSJCACXPMD-MFKUBSTISA-N	0	0	430.309	5.414	50	30		IKEARN
C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)c1cccc(F)c1)C2	ZINC000012449885	518251964	/nfs/dbraw/zinc/25/19/64/518251964.db2.gz	ZHKFDHYWKCMMAW-UHFFFAOYSA-N	0	0	435.520	5.300	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1OCC	ZINC000009907461	518317682	/nfs/dbraw/zinc/31/76/82/518317682.db2.gz	JLJBDKOIWVARKS-MOSHPQCFSA-N	0	0	440.952	5.259	50	30		IKEARN
C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC	ZINC000046076273	518326243	/nfs/dbraw/zinc/32/62/43/518326243.db2.gz	BXYFSIPWMQVGEK-IBGZPJMESA-N	0	0	433.529	5.309	50	30		IKEARN
CC(=O)c1ccc(N(C(=O)COc2ccccc2C#N)c2nc3ccccc3s2)cc1	ZINC000012599752	518342146	/nfs/dbraw/zinc/34/21/46/518342146.db2.gz	COYVJUFRNUNGCD-UHFFFAOYSA-N	0	0	427.485	5.114	50	30		IKEARN
CC(N=Nc1nc(-c2ccccc2F)nc2ccccc21)c1ccc(Br)cc1	ZINC000009171398	518454126	/nfs/dbraw/zinc/45/41/26/518454126.db2.gz	DSZIDZAQTISCFC-VYYCAZPPSA-N	0	0	435.300	6.035	50	30		IKEARN
C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2)c1C	ZINC000035843480	518457626	/nfs/dbraw/zinc/45/76/26/518457626.db2.gz	YGLPOLQVSWXJMA-FSGOGVSDSA-N	0	0	446.953	7.494	50	30		IKEARN
C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C	ZINC000035843427	518457987	/nfs/dbraw/zinc/45/79/87/518457987.db2.gz	REUBHAULPPQTJO-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000012362241	518459011	/nfs/dbraw/zinc/45/90/11/518459011.db2.gz	MZWMSJYEFDKGQE-FXZATJRASA-N	0	0	438.358	5.761	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000035238175	518459325	/nfs/dbraw/zinc/45/93/25/518459325.db2.gz	BKLPEKOJKKUVLX-FXZATJRASA-N	0	0	438.358	5.761	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccccc1	ZINC000012342948	518459959	/nfs/dbraw/zinc/45/99/59/518459959.db2.gz	ZPMUQRJHSHASDR-FXZATJRASA-N	0	0	438.358	5.761	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)c1ccc(F)cc1	ZINC000013756757	518467016	/nfs/dbraw/zinc/46/70/16/518467016.db2.gz	OGWBNZDYTZHJLE-XODNFHPESA-N	0	0	425.294	6.579	50	30		IKEARN
C=C(C(=O)c1ccccc1)[C@H](c1ccccc1)[C@@H](CN1CCOCC1)C(=O)c1ccccc1	ZINC000013564404	518585627	/nfs/dbraw/zinc/58/56/27/518585627.db2.gz	FYGNZWIUSAWRQA-KAYWLYCHSA-N	0	0	439.555	5.041	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3	ZINC000002252229	518625152	/nfs/dbraw/zinc/62/51/52/518625152.db2.gz	JCQFDSHQQLOBFC-SFHVURJKSA-N	0	0	426.607	5.521	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3	ZINC000001243899	518625315	/nfs/dbraw/zinc/62/53/15/518625315.db2.gz	OMXRYZCXEOMXIB-SFHVURJKSA-N	0	0	426.607	5.521	50	30		IKEARN
C=C(C)CSc1nnc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)s1	ZINC000012872201	518626591	/nfs/dbraw/zinc/62/65/91/518626591.db2.gz	PMAYXGWAJWGKOJ-LJQANCHMSA-N	0	0	441.647	6.295	50	30		IKEARN
C=C(C)C[C@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl	ZINC000013734392	518636776	/nfs/dbraw/zinc/63/67/76/518636776.db2.gz	NZFZCDRKSHXHKB-HSZRJFAPSA-N	0	0	440.996	6.848	50	30		IKEARN
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O	ZINC000038253914	518657384	/nfs/dbraw/zinc/65/73/84/518657384.db2.gz	ZGLHBRQAEXKACO-UCVPIVEQSA-N	0	0	428.657	5.727	50	30		IKEARN
C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1	ZINC000004648758	518664604	/nfs/dbraw/zinc/66/46/04/518664604.db2.gz	YRGLKFYABDJLHS-STWLZBDKSA-N	0	0	426.626	7.026	50	30		IKEARN
C=C1S/C(=N\c2c(C)cc(C)cc2C)N(C(=O)c2c(F)cccc2F)C12CCCCC2	ZINC000012339015	518666949	/nfs/dbraw/zinc/66/69/49/518666949.db2.gz	GXVJCLPNPNYRIQ-COOPMVRXSA-N	0	0	440.559	6.983	50	30		IKEARN
C=CCC[C@@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1	ZINC000036346151	518715575	/nfs/dbraw/zinc/71/55/75/518715575.db2.gz	GJUPBECMBSSCDT-XMMPIXPASA-N	0	0	449.595	5.057	50	30		IKEARN
C=CCC[C@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036302904	518722677	/nfs/dbraw/zinc/72/26/77/518722677.db2.gz	UABWIEOZAYPQEW-QHCPKHFHSA-N	0	0	449.595	5.003	50	30		IKEARN
C=CCN(C(=O)CSc1nc(C)cc(C)n1)c1nc(-c2c[nH]c3ccccc32)cs1	ZINC000066409968	518733297	/nfs/dbraw/zinc/73/32/97/518733297.db2.gz	LGKUXTOTQMQPOV-UHFFFAOYSA-N	0	0	435.578	5.010	50	30		IKEARN
C=CCN(C(=O)c1cc(-c2ccccc2F)nc2onc(C)c21)c1nc2c(s1)CCCC2	ZINC000022239288	518737008	/nfs/dbraw/zinc/73/70/08/518737008.db2.gz	HYFBEXATCIVFTG-UHFFFAOYSA-N	0	0	448.523	5.505	50	30		IKEARN
C=CCN(C(=O)c1cc(-c2cccs2)nc2onc(C)c21)c1nc2c(s1)CCCC2	ZINC000021382532	518737498	/nfs/dbraw/zinc/73/74/98/518737498.db2.gz	CTVBDONORVIBII-UHFFFAOYSA-N	0	0	436.562	5.428	50	30		IKEARN
C=CCN(C(=O)c1cc(-c2cccs2)nc2ccccc21)c1nc(C(=O)OCC)cs1	ZINC000058026812	518737531	/nfs/dbraw/zinc/73/75/31/518737531.db2.gz	PJEAMCRVTKLRHW-UHFFFAOYSA-N	0	0	449.557	5.429	50	30		IKEARN
C=CCN(C(=O)c1cc(C)nc2c1nc1n2CCCCC1)c1nc(-c2ccccc2)cs1	ZINC000040052352	518737761	/nfs/dbraw/zinc/73/77/61/518737761.db2.gz	DTPFSVDNMFLQLE-UHFFFAOYSA-N	0	0	443.576	5.422	50	30		IKEARN
C=CCN(C(=O)c1cccc(I)c1)c1nc(-c2ccccc2)cs1	ZINC000012531859	518739550	/nfs/dbraw/zinc/73/95/50/518739550.db2.gz	MEURTXNNFBTFBR-UHFFFAOYSA-N	0	0	446.313	5.248	50	30		IKEARN
C=CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000003326829	518740603	/nfs/dbraw/zinc/74/06/03/518740603.db2.gz	YOYNIGOGQAHALO-UHFFFAOYSA-N	0	0	446.959	7.089	50	30		IKEARN
C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1cc(F)ccc1F	ZINC000035844946	518744762	/nfs/dbraw/zinc/74/47/62/518744762.db2.gz	DXKGUBAPCZMGBL-UHFFFAOYSA-N	0	0	438.518	5.126	50	30		IKEARN
C=CCN(Cc1csc(COc2ccccc2C(C)C)n1)C(=O)c1ccc(OC)cc1	ZINC000036105142	518796194	/nfs/dbraw/zinc/79/61/94/518796194.db2.gz	LZOAYXPPAJRDBR-UHFFFAOYSA-N	0	0	436.577	5.683	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2cccc(C)c2)SC1=S	ZINC000013898160	518828103	/nfs/dbraw/zinc/82/81/03/518828103.db2.gz	CWURBLNKVQJTKZ-PGMHBOJBSA-N	0	0	425.575	5.230	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Br)cc3)c2)SC1=S	ZINC000022276015	518828956	/nfs/dbraw/zinc/82/89/56/518828956.db2.gz	BWKLKVGQCGZEIL-PDGQHHTCSA-N	0	0	446.391	5.415	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2cc(C)ccc2C)SC1=S	ZINC000022228884	518829015	/nfs/dbraw/zinc/82/90/15/518829015.db2.gz	JRCYODOUPOAFTO-QNGOZBTKSA-N	0	0	425.575	5.148	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(Cl)ccc2OCc2ccc(Cl)cc2)SC1=S	ZINC000012343661	518831435	/nfs/dbraw/zinc/83/14/35/518831435.db2.gz	LRZHHYIZOMOTIQ-WOJGMQOQSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S	ZINC000015011418	518832773	/nfs/dbraw/zinc/83/27/73/518832773.db2.gz	LYKINMVFZJTLDV-VCHYOVAHSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S	ZINC000002070416	518833738	/nfs/dbraw/zinc/83/37/38/518833738.db2.gz	WMGSTBDVSJYDJA-DEDYPNTBSA-N	0	0	445.993	5.705	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)SC1=S	ZINC000013600871	518834276	/nfs/dbraw/zinc/83/42/76/518834276.db2.gz	KJZCEIBBKCYJNY-VCHYOVAHSA-N	0	0	436.385	5.960	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C	ZINC000105003895	518842776	/nfs/dbraw/zinc/84/27/76/518842776.db2.gz	ADNVSXDVQBDWNQ-SZTNPAGBSA-N	0	0	448.375	5.448	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000033399271	518847824	/nfs/dbraw/zinc/84/78/24/518847824.db2.gz	VTVZBJAINPBAPU-LPSQUVOTSA-N	0	0	449.963	5.663	50	30		IKEARN
C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2ccc(F)cc2)c1	ZINC000037600584	518903098	/nfs/dbraw/zinc/90/30/98/518903098.db2.gz	WVBQQFCEASNVRN-UHFFFAOYSA-N	0	0	435.474	5.048	50	30		IKEARN
C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@@H](C)c2ccccc2)c1	ZINC000037600793	518903714	/nfs/dbraw/zinc/90/37/14/518903714.db2.gz	WRFOTTVMVDAMPF-FQEVSTJZSA-N	0	0	445.538	5.148	50	30		IKEARN
C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@H]2[C@@H]1c1ccc(OC)cc1	ZINC000040487522	518949291	/nfs/dbraw/zinc/94/92/91/518949291.db2.gz	KUDIFHJEAAEZSH-DCRJLOPRSA-N	0	0	447.604	5.361	50	30		IKEARN
C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@@H]1c1ccc(OC)cc1	ZINC000040487523	518949508	/nfs/dbraw/zinc/94/95/08/518949508.db2.gz	KUDIFHJEAAEZSH-ZTSHFWPMSA-N	0	0	447.604	5.361	50	30		IKEARN
C=CCNc1nc(C(=O)OCCCC(c2ccc(F)cc2)c2ccc(F)cc2)cs1	ZINC000013095562	518963338	/nfs/dbraw/zinc/96/33/38/518963338.db2.gz	OKDXBBAZADOXIN-UHFFFAOYSA-N	0	0	428.504	5.788	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(C)cc2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000037577360	518969108	/nfs/dbraw/zinc/96/91/08/518969108.db2.gz	DTKAPPZHIJKIGF-OAQYLSRUSA-N	0	0	443.465	5.533	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@@H]1c1ccc(F)cc1F	ZINC000037577376	518969127	/nfs/dbraw/zinc/96/91/27/518969127.db2.gz	BVZHUFBFXXQNAO-LJQANCHMSA-N	0	0	431.866	5.138	50	30		IKEARN
CC(C)(C)c1cc(C2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc(C(C)(C)C)c1O	ZINC000008694289	518996417	/nfs/dbraw/zinc/99/64/17/518996417.db2.gz	BHBOAGQBSZOFPQ-UHFFFAOYSA-N	0	0	447.575	5.110	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000001825950	519014869	/nfs/dbraw/zinc/01/48/69/519014869.db2.gz	JDKYJLKYIKZOPF-GZTJUZNOSA-N	0	0	432.364	5.420	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(Br)c3)C2=O)cc1	ZINC000001825951	519017127	/nfs/dbraw/zinc/01/71/27/519017127.db2.gz	JDKYJLKYIKZOPF-BOPFTXTBSA-N	0	0	432.364	5.420	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009512372	519023809	/nfs/dbraw/zinc/02/38/09/519023809.db2.gz	BHJIBJSFOXOHQP-QFIPXVFZSA-N	0	0	449.890	5.276	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1	ZINC000009042475	519028285	/nfs/dbraw/zinc/02/82/85/519028285.db2.gz	GWNCCVGLRPMTRM-XTEPFMGCSA-N	0	0	440.543	6.281	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccc(F)cc2)cc1	ZINC000013551467	519029013	/nfs/dbraw/zinc/02/90/13/519029013.db2.gz	FNUUFYIDPPKJOL-UKILVPOCSA-N	0	0	445.450	5.541	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1	ZINC000009215965	519029029	/nfs/dbraw/zinc/02/90/29/519029029.db2.gz	TXIIIWIVKKBGTQ-AHKZPQOWSA-N	0	0	426.516	5.892	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)cc2)cc1	ZINC000012194198	519030116	/nfs/dbraw/zinc/03/01/16/519030116.db2.gz	TXIIIWIVKKBGTQ-VPUSJEBWSA-N	0	0	426.516	5.892	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1	ZINC000013551372	519030413	/nfs/dbraw/zinc/03/04/13/519030413.db2.gz	WPFQZLCDZWOGCW-AOYPEHQESA-N	0	0	430.935	6.456	50	30		IKEARN
C=CCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(Cl)cc2)cc1	ZINC000020892390	519045764	/nfs/dbraw/zinc/04/57/64/519045764.db2.gz	WPCHVZGVYJGXNQ-NRFANRHFSA-N	0	0	425.941	5.174	50	30		IKEARN
C=CCOc1cccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)c1	ZINC000033271542	519062565	/nfs/dbraw/zinc/06/25/65/519062565.db2.gz	GUTXDTFTBAZCKA-GOSISDBHSA-N	0	0	430.533	5.138	50	30		IKEARN
C=CCOc1ccccc1CN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1	ZINC000055042479	519070206	/nfs/dbraw/zinc/07/02/06/519070206.db2.gz	JTYCFGZJWAEJBI-UHFFFAOYSA-N	0	0	444.556	5.628	50	30		IKEARN
C=CCOc1cccn2c(=O)c(-c3cc(C)n(-c4ccc(Cl)c(Cl)c4)n3)c(C)nc12	ZINC000035911408	519074844	/nfs/dbraw/zinc/07/48/44/519074844.db2.gz	IOHDGFJJRZVAOD-UHFFFAOYSA-N	0	0	441.318	5.036	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002066643	519080850	/nfs/dbraw/zinc/08/08/50/519080850.db2.gz	WGVBVZVEBONNDD-UHFFFAOYSA-N	0	0	428.601	5.995	50	30		IKEARN
C=CCSc1nc2c(sc3nc(C)cc(C)c32)c(Sc2ccc(Cl)cc2)n1	ZINC000012954153	519081903	/nfs/dbraw/zinc/08/19/03/519081903.db2.gz	FVIACXOQDVDYEP-UHFFFAOYSA-N	0	0	430.023	6.939	50	30		IKEARN
C=CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1	ZINC000044088270	519083333	/nfs/dbraw/zinc/08/33/33/519083333.db2.gz	BGPNJDCZMPNWTC-UHFFFAOYSA-N	0	0	437.309	6.181	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@@H](c3cccs3)C3=C2CC(C)(C)CC3=O)s1	ZINC000012402393	519085412	/nfs/dbraw/zinc/08/54/12/519085412.db2.gz	RMTQCMXQADRKFZ-LBPRGKRZSA-N	0	0	431.608	5.041	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2	ZINC000002978114	519093180	/nfs/dbraw/zinc/09/31/80/519093180.db2.gz	HEQHHRVJMDBPHM-OAQYLSRUSA-N	0	0	448.935	6.233	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccccc1Br)Nc1ccccc1-2	ZINC000003000499	519093311	/nfs/dbraw/zinc/09/33/11/519093311.db2.gz	ZEVNDSJYXKRMDC-QGZVFWFLSA-N	0	0	427.327	5.082	50	30		IKEARN
C=CCc1cc(/C=C2/S/C(=N\c3cccc(Cl)c3C)NC2=O)cc(OCC)c1O	ZINC000033349575	519123798	/nfs/dbraw/zinc/12/37/98/519123798.db2.gz	SNMGRZFHHGGUDW-XDHOZWIPSA-N	0	0	428.941	5.373	50	30		IKEARN
C=CCc1ccc(OCCOCCOc2ccc(C(=O)c3ccccc3)cc2)c(OC)c1	ZINC000015823299	519137996	/nfs/dbraw/zinc/13/79/96/519137996.db2.gz	BDFBZYOSICLLIH-UHFFFAOYSA-N	0	0	432.516	5.129	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N/c1ccc(OCC)cc1	ZINC000015685073	519150290	/nfs/dbraw/zinc/15/02/90/519150290.db2.gz	PIWVVAJPRBWCKN-OCEACIFDSA-N	0	0	445.544	5.879	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccc(F)cc3)csc2nc1SCC(=O)c1ccccc1	ZINC000001801754	519154102	/nfs/dbraw/zinc/15/41/02/519154102.db2.gz	HLWRCFBRSRDIEY-UHFFFAOYSA-N	0	0	436.533	5.425	50	30		IKEARN
C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1ccc2c(c1)OCO2	ZINC000001895931	519159010	/nfs/dbraw/zinc/15/90/10/519159010.db2.gz	XJNUASUYJOAACV-UHFFFAOYSA-N	0	0	434.542	5.332	50	30		IKEARN
C=CCn1c(=O)c2ccccc2nc1SCC(=O)N(C1CCCCC1)C1CCCCC1	ZINC000012624411	519160555	/nfs/dbraw/zinc/16/05/55/519160555.db2.gz	DOLVGDAVMRQYMG-UHFFFAOYSA-N	0	0	439.625	5.169	50	30		IKEARN
C=CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCC(=O)Nc1ccccc1	ZINC000013353304	519162505	/nfs/dbraw/zinc/16/25/05/519162505.db2.gz	LKOMPSIUWKNFCV-UHFFFAOYSA-N	0	0	433.558	5.042	50	30		IKEARN
C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(=O)c1ccccc1	ZINC000002662591	519188200	/nfs/dbraw/zinc/18/82/00/519188200.db2.gz	DIGBBIPABCKIHT-UHFFFAOYSA-N	0	0	441.556	5.685	50	30		IKEARN
C=CCn1c(COc2ccccc2)nn(C2c3ccccc3Oc3ccccc32)c1=S	ZINC000012363679	519188755	/nfs/dbraw/zinc/18/87/55/519188755.db2.gz	OUPXVOWCYFSCQC-UHFFFAOYSA-N	0	0	427.529	5.922	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(Cl)cc1	ZINC000012788176	519189882	/nfs/dbraw/zinc/18/98/82/519189882.db2.gz	KQWLXFUCIGLKKH-AWEZNQCLSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1	ZINC000012787634	519190357	/nfs/dbraw/zinc/19/03/57/519190357.db2.gz	FWFBRGGABFSMJI-KRWDZBQOSA-N	0	0	425.529	5.163	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000010324103	519194230	/nfs/dbraw/zinc/19/42/30/519194230.db2.gz	AMXHCELLPXOGKH-UHFFFAOYSA-N	0	0	439.393	5.154	50	30		IKEARN
C=CCN1C(=S)N=NC1c1sc(NC(=O)CCc2ccc(C(C)(C)C)cc2)nc1C	ZINC000012946912	519197382	/nfs/dbraw/zinc/19/73/82/519197382.db2.gz	KERBVGYGYYZZCF-UHFFFAOYSA-N	0	0	441.626	5.054	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O	ZINC000012801959	519208769	/nfs/dbraw/zinc/20/87/69/519208769.db2.gz	PIKANEIOZXDDNR-OAHLLOKOSA-N	0	0	441.622	5.016	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1	ZINC000002367518	519212800	/nfs/dbraw/zinc/21/28/00/519212800.db2.gz	RFZKYGTVIULPJN-UHFFFAOYSA-N	0	0	425.366	5.230	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002624279	519214630	/nfs/dbraw/zinc/21/46/30/519214630.db2.gz	JCISEBAPAZWYLC-UHFFFAOYSA-N	0	0	448.592	5.362	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009307596	519215870	/nfs/dbraw/zinc/21/58/70/519215870.db2.gz	KWXFXNXTVOBFAC-UHFFFAOYSA-N	0	0	434.609	5.722	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1Cl	ZINC000002442146	519222341	/nfs/dbraw/zinc/22/23/41/519222341.db2.gz	FBCSWWUHTDIKFO-UHFFFAOYSA-N	0	0	434.952	5.669	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(C3CC3)c2C)nnc1-c1ccc(Cl)cc1	ZINC000013097446	519230477	/nfs/dbraw/zinc/23/04/77/519230477.db2.gz	OPMIAXZDHAPMHH-UHFFFAOYSA-N	0	0	426.973	5.513	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1Cl	ZINC000028250817	519231223	/nfs/dbraw/zinc/23/12/23/519231223.db2.gz	AISYSBPSUGQEII-UHFFFAOYSA-N	0	0	448.773	5.522	50	30		IKEARN
C=CCn1c(SCc2c(F)c(F)c(F)c(F)c2F)nnc1-c1ccc(Cl)cc1	ZINC000012905231	519236989	/nfs/dbraw/zinc/23/69/89/519236989.db2.gz	IGGULAUGFAXPRM-UHFFFAOYSA-N	0	0	431.817	5.772	50	30		IKEARN
C=CCn1c(SCc2cc(Br)ccc2F)nnc1-c1ccccc1OC	ZINC000072042179	519237626	/nfs/dbraw/zinc/23/76/26/519237626.db2.gz	PYKLOZFTGDPIEF-UHFFFAOYSA-N	0	0	434.334	5.334	50	30		IKEARN
C=CCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1-c1ccc(Cl)cc1	ZINC000009632601	519237827	/nfs/dbraw/zinc/23/78/27/519237827.db2.gz	XRLURZCWJZAZFN-UHFFFAOYSA-N	0	0	437.952	5.800	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)NCc3ccc(F)cc3)cc2)nnc1-c1ccco1	ZINC000037397726	519238986	/nfs/dbraw/zinc/23/89/86/519238986.db2.gz	XSUJBKUSYXXFSN-UHFFFAOYSA-N	0	0	448.523	5.086	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)N[C@H](C)CC)cc2)nnc1-c1ccccc1Cl	ZINC000037398172	519239086	/nfs/dbraw/zinc/23/90/86/519239086.db2.gz	CQIRTIWPQCPQCF-MRXNPFEDSA-N	0	0	441.000	5.605	50	30		IKEARN
C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cc(OC)cc(OC)c1	ZINC000035847670	519240931	/nfs/dbraw/zinc/24/09/31/519240931.db2.gz	UIUTUVUEOXAWAM-UHFFFAOYSA-N	0	0	435.471	5.459	50	30		IKEARN
C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1sc2ccccc2c1Cl	ZINC000001802973	519242438	/nfs/dbraw/zinc/24/24/38/519242438.db2.gz	CJRRIUZCZDEQMR-UHFFFAOYSA-N	0	0	442.953	6.200	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1[C@H]1COc2ccccc2O1	ZINC000003288831	519245568	/nfs/dbraw/zinc/24/55/68/519245568.db2.gz	SVEMUGQVYOCDBN-HXUWFJFHSA-N	0	0	448.573	5.392	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccc2c(c1)OCO2	ZINC000019647797	519245743	/nfs/dbraw/zinc/24/57/43/519245743.db2.gz	XWUWLDRWYJTVKT-UHFFFAOYSA-N	0	0	448.573	5.584	50	30		IKEARN
C=CCn1c(SCc2csc(Nc3ccc(OC)cc3)n2)nc2sccc2c1=O	ZINC000012549419	519246570	/nfs/dbraw/zinc/24/65/70/519246570.db2.gz	ITXONRPZUUNSOS-UHFFFAOYSA-N	0	0	442.591	5.145	50	30		IKEARN
C=CCn1c(SCc2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O	ZINC000012905582	519247281	/nfs/dbraw/zinc/24/72/81/519247281.db2.gz	YXBGYEZOGRKMOU-UHFFFAOYSA-N	0	0	430.580	5.171	50	30		IKEARN
C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccc(F)cc1	ZINC000008862443	519247481	/nfs/dbraw/zinc/24/74/81/519247481.db2.gz	QYHNBFMIHUDJOD-UHFFFAOYSA-N	0	0	427.892	5.266	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccccc1OC	ZINC000009465552	519258094	/nfs/dbraw/zinc/25/80/94/519258094.db2.gz	SBHISCJGSCUUHI-MRXNPFEDSA-N	0	0	432.549	5.293	50	30		IKEARN
C=CCn1c(Sc2nnc(C)c(C)c2C#N)nc2sc(-c3ccccc3)c(C)c2c1=O	ZINC000012904213	519259441	/nfs/dbraw/zinc/25/94/41/519259441.db2.gz	DPPILZCSACQIER-UHFFFAOYSA-N	0	0	445.573	5.049	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc4c(cc3OCC)C[C@H](C)O4)c12	ZINC000012681237	519265379	/nfs/dbraw/zinc/26/53/79/519265379.db2.gz	NQHLJROAYVULNT-FLVLSHQESA-N	0	0	441.531	5.402	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OCC)c3OCCC)c12	ZINC000012676000	519267686	/nfs/dbraw/zinc/26/76/86/519267686.db2.gz	FVQFRCHFCGKOII-FOCLMDBBSA-N	0	0	443.547	5.867	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OCC)c3)c12	ZINC000096925856	519268074	/nfs/dbraw/zinc/26/80/74/519268074.db2.gz	NTSBTSRKQZNXBO-QXMHVHEDSA-N	0	0	449.938	5.740	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OCC)c3OCCC)c12	ZINC000096925860	519268128	/nfs/dbraw/zinc/26/81/28/519268128.db2.gz	FVQFRCHFCGKOII-NXVVXOECSA-N	0	0	443.547	5.867	50	30		IKEARN
CC(=O)/C(=N/Nc1ccccc1)Sc1nnc(CCc2ccccc2)n1-c1ccccc1	ZINC000100935562	519352867	/nfs/dbraw/zinc/35/28/67/519352867.db2.gz	RTXDBIBQHCWTIW-COOPMVRXSA-N	0	0	441.560	5.159	50	30		IKEARN
CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019489314	519365934	/nfs/dbraw/zinc/36/59/34/519365934.db2.gz	FOUPCSKNFATMEY-RTBURBONSA-N	0	0	430.162	6.096	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1c(C)cccc1C	ZINC000012980725	519473964	/nfs/dbraw/zinc/47/39/64/519473964.db2.gz	UXKROIWEFVVRFK-CSKARUKUSA-N	0	0	445.371	6.647	50	30		IKEARN
CC(=O)N(c1nc(/C=C2\CCOc3ccc(F)cc3C2=O)cs1)c1cccc(C)c1C	ZINC000013021802	519474930	/nfs/dbraw/zinc/47/49/30/519474930.db2.gz	PNTAYGHCAUIKAC-GZTJUZNOSA-N	0	0	436.508	5.632	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccco1	ZINC000012381905	519477662	/nfs/dbraw/zinc/47/76/62/519477662.db2.gz	QMJDXUNAWVEDGN-SIBVEZHUSA-N	0	0	426.516	5.836	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257349272	519645545	/nfs/dbraw/zinc/64/55/45/519645545.db2.gz	MXIKNOBYVNLDDR-SSXLBPEZSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348899	519645902	/nfs/dbraw/zinc/64/59/02/519645902.db2.gz	JVBJMRIVVNLPKI-DMHUNYQISA-N	0	0	433.677	6.024	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2)CC(C)C	ZINC000020650398	519717814	/nfs/dbraw/zinc/71/78/14/519717814.db2.gz	CYVBAAFCNYRZIR-YVNNLAQVSA-N	0	0	448.390	6.429	50	30		IKEARN
CC(C)C[NH+](Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(Cl)cccc1Cl)O2)CC(C)C	ZINC000020625328	519717984	/nfs/dbraw/zinc/71/79/84/519717984.db2.gz	AJCAPVNAIUJHEJ-YVNNLAQVSA-N	0	0	448.390	6.429	50	30		IKEARN
CC(=O)Nc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001135005	519734415	/nfs/dbraw/zinc/73/44/15/519734415.db2.gz	KWZFNXJXMQGOAQ-RBTNQOKQSA-N	0	0	437.543	5.933	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000257347670	519756963	/nfs/dbraw/zinc/75/69/63/519756963.db2.gz	PMBSWZWCNKVWLV-JQZBIDAGSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000000815810	519759026	/nfs/dbraw/zinc/75/90/26/519759026.db2.gz	TZUWKRAYJMAJJN-GKVSMKOHSA-N	0	0	430.529	5.653	50	30		IKEARN
CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1	ZINC000013568551	519782020	/nfs/dbraw/zinc/78/20/20/519782020.db2.gz	VNLHLXBIHDGYKZ-WXTAPIANSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccccc1	ZINC000015906391	519782039	/nfs/dbraw/zinc/78/20/39/519782039.db2.gz	KFHRCXTYVDIAPE-HSZRJFAPSA-N	0	0	426.438	5.949	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421898	519788631	/nfs/dbraw/zinc/78/86/31/519788631.db2.gz	LJJSPCAEEZFQQU-HNNXBMFYSA-N	0	0	445.585	5.341	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421900	519788670	/nfs/dbraw/zinc/78/86/70/519788670.db2.gz	NWKGFKGZRJFJDX-HNNXBMFYSA-N	0	0	427.595	5.202	50	30		IKEARN
CC(C)[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1	ZINC000328591441	519801472	/nfs/dbraw/zinc/80/14/72/519801472.db2.gz	XABQLSDYWKZMKC-NRFANRHFSA-N	0	0	445.585	5.573	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(F)cc4)ccc3C2=O)cc1	ZINC000009419336	519834282	/nfs/dbraw/zinc/83/42/82/519834282.db2.gz	ONROZUZEQWWBJL-QRVIBDJDSA-N	0	0	438.476	5.333	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000000864502	519839442	/nfs/dbraw/zinc/83/94/42/519839442.db2.gz	OEWFOONBCNVTMJ-HSZRJFAPSA-N	0	0	430.479	5.123	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102929404	519840171	/nfs/dbraw/zinc/84/01/71/519840171.db2.gz	NOTJRJLLRHSPHC-AYWGPLOBSA-N	0	0	446.934	5.480	50	30		IKEARN
CC(C)c1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccccn4)nn32)cc1	ZINC000018198801	519840313	/nfs/dbraw/zinc/84/03/13/519840313.db2.gz	XWZTXNDNNNHSMY-QFIPXVFZSA-N	0	0	431.565	5.111	50	30		IKEARN
CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)CCCC1=O	ZINC000100140334	519861780	/nfs/dbraw/zinc/86/17/80/519861780.db2.gz	CBDDSGHZWNPZHQ-UHFFFAOYSA-N	0	0	444.575	5.564	50	30		IKEARN
CCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C)cc1	ZINC000021721912	519877217	/nfs/dbraw/zinc/87/72/17/519877217.db2.gz	FBHFHRWRQHGBFV-SANMLTNESA-N	0	0	431.580	5.138	50	30		IKEARN
CCCC/N=C(/c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1)c1ccccc1	ZINC000012419336	519887111	/nfs/dbraw/zinc/88/71/11/519887111.db2.gz	PQDCVACEIDDUBM-WEMUOSSPSA-N	0	0	441.600	6.803	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccccc1	ZINC000008395991	519910395	/nfs/dbraw/zinc/91/03/95/519910395.db2.gz	BRYNBLNOQPNQEA-BIFPGVLTSA-N	0	0	436.508	5.726	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	ZINC000097950878	519964304	/nfs/dbraw/zinc/96/43/04/519964304.db2.gz	KVYUSCFINZSFTB-OAHLLOKOSA-N	0	0	434.622	6.578	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(C(C)C)cccc1C(C)C	ZINC000038150946	519969028	/nfs/dbraw/zinc/96/90/28/519969028.db2.gz	KIULGBCXKSTGQP-YPKPFQOOSA-N	0	0	441.744	9.909	50	30	in-vitro	IKEARN
CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000032790550	519969331	/nfs/dbraw/zinc/96/93/31/519969331.db2.gz	IPOLTUVFXFHAHI-MDRMPYQZSA-O	0	0	426.662	6.117	50	30	endogenous,in-man	IKEARN
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000002190442	519971031	/nfs/dbraw/zinc/97/10/31/519971031.db2.gz	SAPYUMSWCLGZQY-RUZDIDTESA-N	0	0	447.531	5.027	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1	ZINC000098021553	519973647	/nfs/dbraw/zinc/97/36/47/519973647.db2.gz	HQEDDAJEWFFFQV-DEOSSOPVSA-N	0	0	428.573	6.293	50	30		IKEARN
CCCCCCCCCC(=O)Nc1c2c(nc3ccccc31)N(Cc1ccccc1)CC2	ZINC000068589238	519977097	/nfs/dbraw/zinc/97/70/97/519977097.db2.gz	MJSSQXNXESRVEG-UHFFFAOYSA-N	0	0	429.608	6.877	50	30		IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000254385419	519979253	/nfs/dbraw/zinc/97/92/53/519979253.db2.gz	LBERVHLCXUMDOT-FXPAMAQESA-N	0	0	442.684	7.571	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	ZINC000098000391	519983089	/nfs/dbraw/zinc/98/30/89/519983089.db2.gz	PYOWUKQRZIPKDJ-UHFFFAOYSA-N	0	0	428.598	7.605	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)n1c2ccccc2c2ccccc21	ZINC000079703235	519992147	/nfs/dbraw/zinc/99/21/47/519992147.db2.gz	JSIDQRIEQXSCGV-UHFFFAOYSA-N	0	0	433.680	9.696	50	30		IKEARN
CCCCCCCCCCCCCCCCCCCCCCCc1cc(O)cc(O)c1	ZINC000072177032	519994420	/nfs/dbraw/zinc/99/44/20/519994420.db2.gz	OHTBGMREZYLZQD-UHFFFAOYSA-N	0	0	432.733	9.852	50	30	endogenous,in-man	IKEARN
CCCCCCCCCCCCCCCCCCNC1=CC(=O)c2ccccc2C1=O	ZINC000100993177	519996250	/nfs/dbraw/zinc/99/62/50/519996250.db2.gz	ZWRYMFSTJOTECJ-UHFFFAOYSA-N	0	0	425.657	7.801	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)[C@@]12CC[C@@](C)(C(=O)C1=O)C2(C)C	ZINC000008433217	519998581	/nfs/dbraw/zinc/99/85/81/519998581.db2.gz	FWTXLNDFQLJULY-RRPNLBNLSA-N	0	0	433.677	6.548	50	30		IKEARN
CCCCCCCCCCCCCCCCn1c(NCC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008398370	520003029	/nfs/dbraw/zinc/00/30/29/520003029.db2.gz	VCNKXKFMMFRLDU-UHFFFAOYSA-N	0	0	433.641	5.336	50	30		IKEARN
CCCCCCCCCCCCc1nc(C)c(CCCCCCCCCCCC)nc1C	ZINC000097950621	520015864	/nfs/dbraw/zinc/01/58/64/520015864.db2.gz	PTJHWLTXDXYAMX-UHFFFAOYSA-N	0	0	444.792	10.020	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1	ZINC000097952976	520017101	/nfs/dbraw/zinc/01/71/01/520017101.db2.gz	MUUVYRSJUZVUTP-DEOSSOPVSA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCCCOC(=O)Nc1ccc(Br)cc1Br	ZINC000008426879	520019590	/nfs/dbraw/zinc/01/95/90/520019590.db2.gz	RTVMDYSPCJKHFX-UHFFFAOYSA-N	0	0	435.200	6.901	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCC	ZINC000008437757	520021496	/nfs/dbraw/zinc/02/14/96/520021496.db2.gz	PGIBJVOPLXHHGS-UHFFFAOYSA-N	0	0	446.672	8.282	50	30	in-vitro	IKEARN
CCCCCCCCCCOC(=O)c1cccc(C(=O)OCCCCCCCCCC)n1	ZINC000097996999	520022256	/nfs/dbraw/zinc/02/22/56/520022256.db2.gz	NANLAFURUSCYET-UHFFFAOYSA-N	0	0	447.660	7.677	50	30	biogenic	IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2C)cc1	ZINC000100028940	520022887	/nfs/dbraw/zinc/02/28/87/520022887.db2.gz	PIGOEJFQUHQHTO-UHFFFAOYSA-N	0	0	426.601	6.715	50	30		IKEARN
CCCCCCCCCCc1ccc(Oc2ccc(C(=O)C(=O)c3ccccc3)cc2)cc1	ZINC000100853756	520025574	/nfs/dbraw/zinc/02/55/74/520025574.db2.gz	UEJTXEVXJGCQGD-UHFFFAOYSA-N	0	0	442.599	8.228	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/N=C(/C=C\c3cccc([N+](=O)[O-])c3)OC2=O)cc1	ZINC000097998454	520041135	/nfs/dbraw/zinc/04/11/35/520041135.db2.gz	TWAURIMGBNRVSE-NUOHSWRESA-N	0	0	448.519	6.344	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OC)c(OC)c3)OC2=O)cc1	ZINC000097997921	520043067	/nfs/dbraw/zinc/04/30/67/520043067.db2.gz	DCYBJPHMUGGQAJ-XLNRJJMWSA-N	0	0	437.536	5.788	50	30	biogenic	IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1	ZINC000050704707	520047866	/nfs/dbraw/zinc/04/78/66/520047866.db2.gz	LJJNGJGDZUVLPT-UHFFFAOYSA-N	0	0	438.619	7.931	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(OC)cc1	ZINC000050704704	520048726	/nfs/dbraw/zinc/04/87/26/520048726.db2.gz	PMFXPCLGFPZVFW-UHFFFAOYSA-N	0	0	440.591	7.323	50	30		IKEARN
CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)OCc2ccccc2)cc1	ZINC000072399471	520049402	/nfs/dbraw/zinc/04/94/02/520049402.db2.gz	WHZSMGMWROULJR-UHFFFAOYSA-N	0	0	441.612	5.172	50	30	in-vitro	IKEARN
CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(c3ccccc3)C2=O)C1=O	ZINC000095670890	520051065	/nfs/dbraw/zinc/05/10/65/520051065.db2.gz	KLFQIPUMZRQHOB-MRCUWXFGSA-N	0	0	436.602	5.780	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21	ZINC000002372423	520053659	/nfs/dbraw/zinc/05/36/59/520053659.db2.gz	JSABJAURVBKOSL-UHFFFAOYSA-N	0	0	429.568	5.419	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2C)c2nc3ccccc3nc21	ZINC000002264658	520053804	/nfs/dbraw/zinc/05/38/04/520053804.db2.gz	JBSDJVRSHMSCCL-UHFFFAOYSA-N	0	0	429.568	5.473	50	30		IKEARN
CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccc(OC)c(OC)c1)C2	ZINC000097940013	520062205	/nfs/dbraw/zinc/06/22/05/520062205.db2.gz	ILOLDPMFRNCBBN-GOSISDBHSA-N	0	0	427.541	5.380	50	30		IKEARN
CCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21	ZINC000002387465	520062368	/nfs/dbraw/zinc/06/23/68/520062368.db2.gz	AXLTWWYQYNQZEO-UHFFFAOYSA-N	0	0	426.354	6.792	50	30		IKEARN
CCCCCCC[C@]1(C)NC(=O)N(Cc2csc(-c3ccc(OCC)cc3)n2)C1=O	ZINC000096021512	520070314	/nfs/dbraw/zinc/07/03/14/520070314.db2.gz	LVCBSQAAHWFUDD-QHCPKHFHSA-N	0	0	429.586	5.380	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(OC)cc2)c1=O	ZINC000002216026	520072242	/nfs/dbraw/zinc/07/22/42/520072242.db2.gz	BZGYGMJSBJBICM-UHFFFAOYSA-N	0	0	441.535	5.263	50	30		IKEARN
CCCCCCOc1ccc(/C=C/C(=O)/C=C/c2ccc(OCCCCCC)cc2)cc1	ZINC000012470981	520103758	/nfs/dbraw/zinc/10/37/58/520103758.db2.gz	XKEDONQIWMPPPP-JYFOCSDGSA-N	0	0	434.620	7.901	50	30		IKEARN
CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000036512740	520107926	/nfs/dbraw/zinc/10/79/26/520107926.db2.gz	IQXCHKVPMKFAJC-VWLOTQADSA-N	0	0	449.635	7.459	50	30		IKEARN
CC/N=C1/S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC	ZINC000033349892	520207277	/nfs/dbraw/zinc/20/72/77/520207277.db2.gz	JFBIQWUQAAUWBX-PJUILTFESA-N	0	0	428.863	5.931	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC	ZINC000002028948	520229398	/nfs/dbraw/zinc/22/93/98/520229398.db2.gz	DHDNVEIAQQZEBC-HSZRJFAPSA-N	0	0	425.569	5.423	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@@H]2c1cccc(Cl)c1Cl	ZINC000001079571	520255492	/nfs/dbraw/zinc/25/54/92/520255492.db2.gz	RFQRCRSYHJVAOJ-MRXNPFEDSA-N	0	0	432.322	6.296	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C[C@H]2c1ccc(Cl)cc1Cl	ZINC000001079570	520255985	/nfs/dbraw/zinc/25/59/85/520255985.db2.gz	WVLPDWFBZYBTDB-KRWDZBQOSA-N	0	0	432.322	6.296	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@H]2c1ccco1	ZINC000000997341	520261996	/nfs/dbraw/zinc/26/19/96/520261996.db2.gz	NZUPJUOBQUUWIH-DEOSSOPVSA-N	0	0	446.934	6.390	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NCc1ccco1)[C@@H]2c1ccccc1	ZINC000021722095	520262466	/nfs/dbraw/zinc/26/24/66/520262466.db2.gz	NKIMWHYTPHUKNG-RUZDIDTESA-N	0	0	441.531	5.806	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@@H]2c1ccco1	ZINC000018148521	520262570	/nfs/dbraw/zinc/26/25/70/520262570.db2.gz	PSGCIEYNZHQEKN-XMMPIXPASA-N	0	0	443.572	6.293	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccs1	ZINC000012652081	520263057	/nfs/dbraw/zinc/26/30/57/520263057.db2.gz	KJMSMMFOWBHWCR-XMMPIXPASA-N	0	0	428.557	6.205	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Cl)c(Cl)c2)C1	ZINC000012589211	520265990	/nfs/dbraw/zinc/26/59/90/520265990.db2.gz	VEYXKXNYKUYFHP-HXUWFJFHSA-N	0	0	439.346	5.910	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cc(Cl)ccc2OC(F)F)C1	ZINC000004786565	520267348	/nfs/dbraw/zinc/26/73/48/520267348.db2.gz	AWKYQUZCZATWAC-HXUWFJFHSA-N	0	0	443.881	5.949	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@@H]2c2ccccc2)C1	ZINC000020850740	520267451	/nfs/dbraw/zinc/26/74/51/520267451.db2.gz	RKBBGNSVUHVKMK-OAQYLSRUSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2ccccc2)C1	ZINC000020850743	520267685	/nfs/dbraw/zinc/26/76/85/520267685.db2.gz	RKBBGNSVUHVKMK-NRFANRHFSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@@H]2c2ccc(F)cc2)C1	ZINC000010035401	520267736	/nfs/dbraw/zinc/26/77/36/520267736.db2.gz	QXNPTXXBRHSOKJ-OAQYLSRUSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1c(F)c(F)c(F)c(F)c1F	ZINC000002906048	520269292	/nfs/dbraw/zinc/26/92/92/520269292.db2.gz	GMGCRMXJWPGWAV-DEOSSOPVSA-N	0	0	443.415	6.845	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1cccc(Br)c1)C1C(=O)CCCC1=N2	ZINC000009856528	520273410	/nfs/dbraw/zinc/27/34/10/520273410.db2.gz	ANEUSOATTOFUFB-GOSISDBHSA-N	0	0	447.402	5.345	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000013176625	520287729	/nfs/dbraw/zinc/28/77/29/520287729.db2.gz	FHNUQLHNFJIHEW-IBGZPJMESA-N	0	0	434.879	6.026	50	30		IKEARN
CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c21)CC(C)(C)CO3	ZINC000039321599	520389326	/nfs/dbraw/zinc/38/93/26/520389326.db2.gz	GJBMAPKEODCTLC-AFUMVMLFSA-N	0	0	438.549	5.797	50	30		IKEARN
CCOC(=O)C(=NNc1cc(Cl)ccc1Cl)Nc1ccc(SC(F)F)cc1	ZINC000012524545	520397801	/nfs/dbraw/zinc/39/78/01/520397801.db2.gz	BTAIVLXZWKTZQO-UHFFFAOYSA-N	0	0	434.295	5.518	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000000626990	520495082	/nfs/dbraw/zinc/49/50/82/520495082.db2.gz	QLGIRFMZNCMVCP-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cccc(OC)c1OC)O2	ZINC000020651019	520495580	/nfs/dbraw/zinc/49/55/80/520495580.db2.gz	FTAJWFMNFUGUBY-KQWNVCNZSA-N	0	0	439.552	5.428	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000020646680	520496128	/nfs/dbraw/zinc/49/61/28/520496128.db2.gz	DBGDDNVVIJTJOT-PCLIKHOPSA-N	0	0	432.564	5.902	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(OC)ccc1OC)O2	ZINC000013655635	520496662	/nfs/dbraw/zinc/49/66/62/520496662.db2.gz	QLJJSNRDBMCEGI-JLPGSUDCSA-N	0	0	439.552	5.428	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1c(F)cccc1Cl)O2	ZINC000020650227	520496913	/nfs/dbraw/zinc/49/69/13/520496913.db2.gz	NMLQAGQGAZFHHB-HMAPJEAMSA-N	0	0	431.935	6.203	50	30		IKEARN
CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000013095855	520515077	/nfs/dbraw/zinc/51/50/77/520515077.db2.gz	DKSGKFAHSLYVHS-RULQDPSVSA-N	0	0	429.929	5.172	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccc(C)cc2O)C1=O	ZINC000036257919	520535517	/nfs/dbraw/zinc/53/55/17/520535517.db2.gz	CAJKNRMPYWDZRW-LICLKQGHSA-N	0	0	449.450	5.263	50	30		IKEARN
CC1(C)OC(c2ccccc2)=C/C(=C\C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1	ZINC000252679392	520607540	/nfs/dbraw/zinc/60/75/40/520607540.db2.gz	LRYWPGGNVAJLHF-SWSBMQKNSA-N	0	0	443.930	6.981	50	30		IKEARN
CCOc1c(OC)cccc1[C@H]1CC(=O)NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2	ZINC000013568633	520611826	/nfs/dbraw/zinc/61/18/26/520611826.db2.gz	NHFCPFSRZFVRAF-WIYYLYMNSA-N	0	0	447.575	5.396	50	30		IKEARN
CCOc1cc(C#N)ccc1O[C@H](C)C(=O)Nc1cc2oc3ccccc3c2cc1OC	ZINC000014735625	520652865	/nfs/dbraw/zinc/65/28/65/520652865.db2.gz	GNMZSOCBCXXLHD-OAHLLOKOSA-N	0	0	430.460	5.271	50	30		IKEARN
CCOc1cc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)ccc1OC	ZINC000050647521	520652892	/nfs/dbraw/zinc/65/28/92/520652892.db2.gz	LSBNUOLVUHDMGP-ZHZULCJRSA-N	0	0	437.499	5.875	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)ccc1OC	ZINC000021349703	520788154	/nfs/dbraw/zinc/78/81/54/520788154.db2.gz	QBUAXCKLUMGEGR-GYCJOSAFSA-N	0	0	446.503	5.054	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000015837298	520802507	/nfs/dbraw/zinc/80/25/07/520802507.db2.gz	QSNGWVCACHVZBJ-OAQYLSRUSA-N	0	0	445.321	5.739	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019890243	520805821	/nfs/dbraw/zinc/80/58/21/520805821.db2.gz	HVTAIGRGHPXRPF-QFIPXVFZSA-N	0	0	440.465	5.347	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019890241	520805875	/nfs/dbraw/zinc/80/58/75/520805875.db2.gz	HVTAIGRGHPXRPF-JOCHJYFZSA-N	0	0	440.465	5.347	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000012416392	520808860	/nfs/dbraw/zinc/80/88/60/520808860.db2.gz	SQHYDVPMWNWVHI-SSOJOUAXSA-N	0	0	441.556	5.143	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000027547165	520811590	/nfs/dbraw/zinc/81/15/90/520811590.db2.gz	YNHOOWWJUHDADK-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccccc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001063609	520813690	/nfs/dbraw/zinc/81/36/90/520813690.db2.gz	QBOBMTBXBZBAST-UUOWRZLLSA-N	0	0	441.556	5.143	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001183786	520814385	/nfs/dbraw/zinc/81/43/85/520814385.db2.gz	ZTEHWVZATXHWEJ-OYHNWAKOSA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781253	520815545	/nfs/dbraw/zinc/81/55/45/520815545.db2.gz	LNQPVILKDZBTBG-OPAMFIHVSA-N	0	0	425.525	5.200	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001183787	520816278	/nfs/dbraw/zinc/81/62/78/520816278.db2.gz	ZTEHWVZATXHWEJ-NYHFZMIOSA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019638559	520817642	/nfs/dbraw/zinc/81/76/42/520817642.db2.gz	MDKPGMFAWUMHKT-FNZWTVRRSA-N	0	0	443.543	5.240	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1	ZINC000001129683	520819767	/nfs/dbraw/zinc/81/97/67/520819767.db2.gz	QMXFSNDVGFEAOF-BVZFJXPGSA-N	0	0	449.522	5.656	50	30		IKEARN
CCOc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)ccc3o2)cc1	ZINC000000712361	520821855	/nfs/dbraw/zinc/82/18/55/520821855.db2.gz	BUOBPTIRIAHSKR-WYMPLXKRSA-N	0	0	431.404	5.281	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000717670	520822338	/nfs/dbraw/zinc/82/23/38/520822338.db2.gz	NVSMXBWCDAZHLR-MWTRTKDXSA-N	0	0	439.552	5.448	50	30		IKEARN
CCOc1ccc(-n2c(C)c(/C(C)=N\OCc3ccc(C#N)cc3)cc2-c2ccccc2)cc1	ZINC000035843499	520831475	/nfs/dbraw/zinc/83/14/75/520831475.db2.gz	MTTGPDDRMKDPSY-YQYKVWLJSA-N	0	0	449.554	6.664	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000002734123	520852744	/nfs/dbraw/zinc/85/27/44/520852744.db2.gz	ADJNNHIPEIGAFE-HXNPFYCNSA-N	0	0	428.557	6.511	50	30		IKEARN
CCOc1ccc(/C=N/c2ccc(Nc3ccccc3)cc2)cc1I	ZINC000009262984	520854534	/nfs/dbraw/zinc/85/45/34/520854534.db2.gz	ICYBSVKKKZXIQC-HZHRSRAPSA-N	0	0	442.300	6.184	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(Cl)c(O)c(OCC)c3)C(=O)N2CC)cc1	ZINC000001011970	520859398	/nfs/dbraw/zinc/85/93/98/520859398.db2.gz	UYEFUCBMVPRGOI-ZOVWXIRQSA-N	0	0	446.956	5.467	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC	ZINC000012619744	520872147	/nfs/dbraw/zinc/87/21/47/520872147.db2.gz	FDOJQKQQIGJHAO-XSFVSMFZSA-N	0	0	437.499	5.875	50	30		IKEARN
CCCCOc1ccc(C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)cc1OCC	ZINC000012824268	520874017	/nfs/dbraw/zinc/87/40/17/520874017.db2.gz	QKEMRGMJMDOUGN-UHFFFAOYSA-N	0	0	448.519	5.172	50	30		IKEARN
CCN(CC)c1ccc(/C=C/C(=O)c2cc3cc(Br)ccc3oc2=O)cc1	ZINC000020617695	520879188	/nfs/dbraw/zinc/87/91/88/520879188.db2.gz	KIJRQVPYDMVTPI-YRNVUSSQSA-N	0	0	426.310	5.298	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000012486219	520880217	/nfs/dbraw/zinc/88/02/17/520880217.db2.gz	ANMSONZOHGCQJK-JOCHJYFZSA-N	0	0	448.906	5.225	50	30		IKEARN
CCN(CC)c1ccc(/C=C\C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1	ZINC000096035401	520883074	/nfs/dbraw/zinc/88/30/74/520883074.db2.gz	IAIRBFSTVDVFID-HKWRFOASSA-N	0	0	434.583	7.261	50	30		IKEARN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000012410736	520894579	/nfs/dbraw/zinc/89/45/79/520894579.db2.gz	ZBZQSFQNKPWGHL-AREMUKBSSA-N	0	0	437.543	6.387	50	30		IKEARN
CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O	ZINC000013581926	520896656	/nfs/dbraw/zinc/89/66/56/520896656.db2.gz	FMMOZPPXADXNAA-NOTAPSAMSA-N	0	0	448.361	5.222	50	30		IKEARN
CC1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1	ZINC000006172517	520900305	/nfs/dbraw/zinc/90/03/05/520900305.db2.gz	KMSIGDDMAIEECU-ICFDZUSXSA-N	0	0	446.182	6.678	50	30		IKEARN
CC1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1	ZINC000035317799	520900573	/nfs/dbraw/zinc/90/05/73/520900573.db2.gz	CDBOJGPJMRWNAJ-BVXMOGEKSA-N	0	0	426.170	7.766	50	30		IKEARN
CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1	ZINC000004547117	520901489	/nfs/dbraw/zinc/90/14/89/520901489.db2.gz	IWFWUQFBITYQRW-PWDIZTEBSA-N	0	0	446.182	6.678	50	30		IKEARN
CCCCOc1ccccc1/C=N/N=C1\NC(=O)[C@H](Cc2ccc(CCCC)cc2)S1	ZINC000012194667	520911512	/nfs/dbraw/zinc/91/15/12/520911512.db2.gz	GVCOBXZNLSJPRX-HXTHCWADSA-N	0	0	437.609	5.372	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000000672279	520922464	/nfs/dbraw/zinc/92/24/64/520922464.db2.gz	LOHBBIJNKKFBPB-PPHZAIPVSA-N	0	0	427.548	6.105	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2	ZINC000032997460	520979914	/nfs/dbraw/zinc/97/99/14/520979914.db2.gz	IEABAEFDIMPRSQ-HSZRJFAPSA-N	0	0	445.548	5.055	50	30		IKEARN
CC1CCN(CN2C(=O)/C(=N\c3ccc(OC(F)(F)Cl)cc3)c3ccccc32)CC1	ZINC000012417802	521017193	/nfs/dbraw/zinc/01/71/93/521017193.db2.gz	CZCVSZJCVBULKX-QOMWVZHYSA-N	0	0	433.886	5.011	50	30		IKEARN
CCOc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)CCCCC3)cc1	ZINC000015945619	521113568	/nfs/dbraw/zinc/11/35/68/521113568.db2.gz	OSQAUPZYYKUQFN-WPWMEQJKSA-N	0	0	448.588	6.427	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(F)cc2)C1=O	ZINC000013598308	521121690	/nfs/dbraw/zinc/12/16/90/521121690.db2.gz	CDXXXPXFENUARQ-UKAZCEGMSA-N	0	0	433.552	6.003	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000027533013	521236769	/nfs/dbraw/zinc/23/67/69/521236769.db2.gz	LHWJUNDHHZXMFR-XMMPIXPASA-N	0	0	445.563	5.031	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321131	521248680	/nfs/dbraw/zinc/24/86/80/521248680.db2.gz	IPAYWZFNFRISSR-BXKMTCNYSA-N	0	0	446.503	5.054	50	30		IKEARN
CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2ccc(OCc3ccccc3)c(OC)c2)c1C	ZINC000012550974	521358190	/nfs/dbraw/zinc/35/81/90/521358190.db2.gz	VZZLUUSEURTYAA-ACCUITESSA-N	0	0	433.504	5.292	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(C)[nH]c5ccccc54)c3c2C1	ZINC000008970236	521366205	/nfs/dbraw/zinc/36/62/05/521366205.db2.gz	HFPUONVHCJBZDV-GOQVHDTASA-N	0	0	431.609	6.468	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1	ZINC000012465179	521366226	/nfs/dbraw/zinc/36/62/26/521366226.db2.gz	UNCNVXBRFJEQID-HEOQCTJZSA-N	0	0	437.569	5.977	50	30		IKEARN
CCOC(=O)c1c(C)[nH]c(/C=C\C(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1	ZINC000026786610	521375040	/nfs/dbraw/zinc/37/50/40/521375040.db2.gz	KXLRDVMCMVELGY-QXMHVHEDSA-N	0	0	425.887	5.779	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc(OC)c2)C3)c1	ZINC000001434809	521424235	/nfs/dbraw/zinc/42/42/35/521424235.db2.gz	UEJVMKHATLIVQX-PIIWDFAUSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccccc1/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1	ZINC000013682599	521446402	/nfs/dbraw/zinc/44/64/02/521446402.db2.gz	XWMNOIHRMLZFIL-CYVLTUHYSA-N	0	0	429.472	5.667	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@@H](C)c1ccccc1	ZINC000013286474	521513630	/nfs/dbraw/zinc/51/36/30/521513630.db2.gz	MADKRYSQLQJOKH-JKKGAUJZSA-N	0	0	425.579	5.119	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\[C@H](C)c1ccccc1	ZINC000013286475	521513637	/nfs/dbraw/zinc/51/36/37/521513637.db2.gz	MADKRYSQLQJOKH-QRJAPVEVSA-N	0	0	425.579	5.119	50	30		IKEARN
CCN1C(=O)/C(=C\c2cc(Br)c(OC)cc2OC)S/C1=N/c1ccccc1	ZINC000008451930	521514348	/nfs/dbraw/zinc/51/43/48/521514348.db2.gz	VAZLWADNTQRQKV-HZMZRVLWSA-N	0	0	447.354	5.090	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1	ZINC000008452298	521516793	/nfs/dbraw/zinc/51/67/93/521516793.db2.gz	LTLKXHYORSIHQV-FUQOYWQNSA-N	0	0	442.584	6.506	50	30		IKEARN
CCN1C/C(=C\c2ccc(OC(F)F)cc2)C(=O)/C(=C\c2ccc(OC(F)F)cc2)C1	ZINC000012657598	521542078	/nfs/dbraw/zinc/54/20/78/521542078.db2.gz	UBEXLYXACHBLMP-MJZABRMRSA-N	0	0	435.417	5.261	50	30		IKEARN
CCN1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1	ZINC000012604472	521542399	/nfs/dbraw/zinc/54/23/99/521542399.db2.gz	PNRCZERKCUVEHU-BSHIDLADSA-N	0	0	441.185	6.672	50	30		IKEARN
CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(C)c3)nn21	ZINC000009856596	521590588	/nfs/dbraw/zinc/59/05/88/521590588.db2.gz	WSGBRJIXRZQUHN-QHCPKHFHSA-N	0	0	446.576	5.300	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2C)c2c(C)oc(C)c21	ZINC000009043531	521637702	/nfs/dbraw/zinc/63/77/02/521637702.db2.gz	ZUNDXZAHVYGHAC-MRCUWXFGSA-N	0	0	443.543	6.323	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972916	521650006	/nfs/dbraw/zinc/65/00/06/521650006.db2.gz	BFOLTIQERCYDHP-UHFFFAOYSA-N	0	0	445.611	5.740	50	30		IKEARN
CCOCCC[NH+]=C(Nc1ccc(C(=O)[O-])cc1)N[C@@H](C)CC12CC3CC(CC(C3)C1)C2	ZINC000065304870	521678075	/nfs/dbraw/zinc/67/80/75/521678075.db2.gz	PYTBGZISYBCEOL-ABVOBTCJSA-N	0	0	441.616	5.164	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000020617940	521794126	/nfs/dbraw/zinc/79/41/26/521794126.db2.gz	ZSOXWGWUIHTWGR-GZIVZEMBSA-N	0	0	447.294	5.689	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000036611456	521794268	/nfs/dbraw/zinc/79/42/68/521794268.db2.gz	UWDBWOSDYGRQCE-GZIVZEMBSA-N	0	0	447.294	5.689	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12	ZINC000032943391	521850077	/nfs/dbraw/zinc/85/00/77/521850077.db2.gz	KWINFKLMRDAVAW-UHFFFAOYSA-N	0	0	442.538	5.618	50	30		IKEARN
COc1cc(/C=C2/CCc3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1	ZINC000035404035	521949108	/nfs/dbraw/zinc/94/91/08/521949108.db2.gz	FWQHOVANYAPTLV-MOSHPQCFSA-N	0	0	438.445	6.506	50	30		IKEARN
COc1cc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1	ZINC000019773280	521986534	/nfs/dbraw/zinc/98/65/34/521986534.db2.gz	YUNJZIFDIAEVQS-MTDXEUNCSA-N	0	0	449.982	5.079	50	30		IKEARN
COc1cc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O	ZINC000008427623	521995529	/nfs/dbraw/zinc/99/55/29/521995529.db2.gz	ILWWEQVPBZWVPB-NUGSKGIGSA-N	0	0	427.835	5.643	50	30		IKEARN
COc1cc(/C=N/n2cnnc2SCc2ccc(C)cc2)ccc1OCc1ccccc1	ZINC000001914468	522004145	/nfs/dbraw/zinc/00/41/45/522004145.db2.gz	DAHBYLZGIOAQND-JFLMPSFJSA-N	0	0	444.560	5.349	50	30		IKEARN
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1	ZINC000008991012	522045214	/nfs/dbraw/zinc/04/52/14/522045214.db2.gz	CRDSAOQBPKAMPV-DHRITJCHSA-N	0	0	439.467	5.160	50	30		IKEARN
CN(C)c1ccc(/C=C/C2=CC(=C3C(=O)c4ccccc4C3=O)C=C(c3ccccc3)O2)cc1	ZINC000057478264	522127168	/nfs/dbraw/zinc/12/71/68/522127168.db2.gz	JTIXVXBDINYAGE-SAPNQHFASA-N	0	0	445.518	6.097	50	30		IKEARN
CN(C)c1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009602020	522129491	/nfs/dbraw/zinc/12/94/91/522129491.db2.gz	AOSIQHVFWXGOAG-JOCHJYFZSA-N	0	0	447.970	5.323	50	30		IKEARN
COc1cc(C(=O)Oc2ccccc2/C=C2\Sc3ccccc3C2=O)cc(OC)c1OC	ZINC000013306990	522171544	/nfs/dbraw/zinc/17/15/44/522171544.db2.gz	QFUAEIUSOXUDQZ-HMAPJEAMSA-N	0	0	448.496	5.261	50	30		IKEARN
COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1	ZINC000018323787	522173571	/nfs/dbraw/zinc/17/35/71/522173571.db2.gz	PCKKWYMEJUDDQQ-DEOSSOPVSA-N	0	0	446.547	5.272	50	30		IKEARN
CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000001213028	522236652	/nfs/dbraw/zinc/23/66/52/522236652.db2.gz	IEZGPYRAYNHBCB-XCLFUZPHSA-N	0	0	435.486	5.651	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1Br	ZINC000068732083	522244627	/nfs/dbraw/zinc/24/46/27/522244627.db2.gz	KZFXJLHNDOQRRG-VWLOTQADSA-N	0	0	447.376	6.342	50	30		IKEARN
CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000001421738	522247660	/nfs/dbraw/zinc/24/76/60/522247660.db2.gz	CKRGZYBCQPGMIS-CCLHPLFOSA-N	0	0	434.539	6.457	50	30		IKEARN
COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2ccc(F)cc2F)n1	ZINC000012749473	522254842	/nfs/dbraw/zinc/25/48/42/522254842.db2.gz	LOCQZOXURFYCBK-RMKNXTFCSA-N	0	0	428.460	5.319	50	30		IKEARN
COC(=O)c1ccccc1NC(=O)[C@@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000095455158	522278708	/nfs/dbraw/zinc/27/87/08/522278708.db2.gz	NOCCVRZBADLXHL-CQSZACIVSA-N	0	0	446.315	5.149	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000712328	522309440	/nfs/dbraw/zinc/30/94/40/522309440.db2.gz	TWHOATAIKQDQPN-UHFFFAOYSA-N	0	0	438.520	5.021	50	30		IKEARN
COc1cc(NC=CC(=O)c2ccc3noc(-c4ccc(C)cc4)c3c2)cc(OC)c1OC	ZINC000100331460	522631250	/nfs/dbraw/zinc/63/12/50/522631250.db2.gz	ZFVFPFCJROGTFS-VAWYXSNFSA-N	0	0	444.487	5.638	50	30		IKEARN
COc1cc(OC)cc(-c2cc(/C=C/c3ccccc3)c(C#N)c3nc4ccccc4n32)c1	ZINC000012566131	522836544	/nfs/dbraw/zinc/83/65/44/522836544.db2.gz	BFCDVIXKIYVOAA-OUKQBFOZSA-N	0	0	431.495	6.214	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccc(C)cc2)cc1	ZINC000005397097	522877348	/nfs/dbraw/zinc/87/73/48/522877348.db2.gz	HKLRGZCPIUHXOU-VWLOTQADSA-N	0	0	445.559	5.351	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000019314437	522878687	/nfs/dbraw/zinc/87/86/87/522878687.db2.gz	KYYQNEMVKYSELL-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(F)cc1	ZINC000001434669	522880797	/nfs/dbraw/zinc/88/07/97/522880797.db2.gz	QGBBCDVTQWDVTP-OYHNWAKOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000000717193	522885955	/nfs/dbraw/zinc/88/59/55/522885955.db2.gz	FOXLSVCGCITMAQ-VLIAUNLRSA-N	0	0	447.478	5.302	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C	ZINC000013568606	522921352	/nfs/dbraw/zinc/92/13/52/522921352.db2.gz	UEOHFARGAVGEPV-FUHWJXTLSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2)ccc1OC(C)C	ZINC000013568610	522922665	/nfs/dbraw/zinc/92/26/65/522922665.db2.gz	LEZOUGGFQGMRHJ-PKOBYXMFSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O	ZINC000033321098	522924219	/nfs/dbraw/zinc/92/42/19/522924219.db2.gz	LLUMZAUJCNOVHZ-OYHNWAKOSA-N	0	0	436.895	5.309	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O	ZINC000000710627	522964990	/nfs/dbraw/zinc/96/49/90/522964990.db2.gz	FDVXNNIFAZBQQL-MRDQGFSESA-N	0	0	442.515	5.389	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@H](c3ccccc3Cl)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000013591443	523023327	/nfs/dbraw/zinc/02/33/27/523023327.db2.gz	MYVLDOMCMVGUBS-LJQANCHMSA-N	0	0	449.978	5.997	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018200061	523044458	/nfs/dbraw/zinc/04/44/58/523044458.db2.gz	HZZDGHGPDKORAN-JLCFBVMHSA-N	0	0	437.586	6.093	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(N=NC(C)c3ccc(F)cc3)n2)cc1OC	ZINC000012343317	523085938	/nfs/dbraw/zinc/08/59/38/523085938.db2.gz	WQBGOOKUMVWBAA-OCSSWDANSA-N	0	0	442.494	5.803	50	30		IKEARN
COc1ccc(-c2cc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000021658647	523123229	/nfs/dbraw/zinc/12/32/29/523123229.db2.gz	XNTUUJSWAIEBTQ-DEOSSOPVSA-N	0	0	433.939	5.870	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000015912987	523238546	/nfs/dbraw/zinc/23/85/46/523238546.db2.gz	LMUZKRXGDJHSKX-PKNBQFBNSA-N	0	0	431.473	5.414	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2cccc3ccccc32)cc1	ZINC000013071070	523239318	/nfs/dbraw/zinc/23/93/18/523239318.db2.gz	JUYXHMMZRRASHC-KNTRCKAVSA-N	0	0	430.507	6.597	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2cccc(C#N)c2)cc1OC	ZINC000012644163	523243443	/nfs/dbraw/zinc/24/34/43/523243443.db2.gz	PMYSNIVWSIULKR-UHFFFAOYSA-N	0	0	439.475	5.072	50	30		IKEARN
COCCCN1C(=O)/C(=C\c2ccc(Cl)cc2)S/C1=N/CCc1ccc(Cl)cc1	ZINC000012624747	523271214	/nfs/dbraw/zinc/27/12/14/523271214.db2.gz	IKMKXVZBYOVMAE-KCURZMHMSA-N	0	0	449.403	5.545	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000009123183	523285648	/nfs/dbraw/zinc/28/56/48/523285648.db2.gz	YSXMGWOQEKTMTN-XMMPIXPASA-N	0	0	443.499	5.094	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21	ZINC000020649671	523303867	/nfs/dbraw/zinc/30/38/67/523303867.db2.gz	CYWOHMRXGGESRQ-YTIGJDNKSA-N	0	0	446.547	5.224	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21	ZINC000009422642	523303919	/nfs/dbraw/zinc/30/39/19/523303919.db2.gz	NWXLOKJZBBIWKV-ZMOGYAJESA-N	0	0	443.886	6.150	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccccc4Cl)ccc3C2=O)c2ccccc21	ZINC000009422997	523307298	/nfs/dbraw/zinc/30/72/98/523307298.db2.gz	XEMGDIDTYNMEJB-DHRITJCHSA-N	0	0	429.903	6.510	50	30		IKEARN
COc1ccc(-n2c(C)cc(C=NNc3ccc(I)cc3)c2C)cc1	ZINC000012364020	523315182	/nfs/dbraw/zinc/31/51/82/523315182.db2.gz	ARXCTFJWNHEQNX-XKZIYDEJSA-N	0	0	445.304	5.153	50	30		IKEARN
COc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1OC	ZINC000009659813	523362852	/nfs/dbraw/zinc/36/28/52/523362852.db2.gz	FYLQKXLVNLROKA-WSDLNYQXSA-N	0	0	432.343	5.426	50	30		IKEARN
COc1ccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008437061	523381467	/nfs/dbraw/zinc/38/14/67/523381467.db2.gz	NAAZRSQSGGMPNQ-UYRXBGFRSA-N	0	0	445.471	5.286	50	30		IKEARN
COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nnc2ccccc21	ZINC000004871547	523383212	/nfs/dbraw/zinc/38/32/12/523383212.db2.gz	YWJOOPKBMUFJHI-VQHVLOKHSA-N	0	0	427.548	5.287	50	30		IKEARN
CC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000013618191	523421941	/nfs/dbraw/zinc/42/19/41/523421941.db2.gz	OYEUKCYVXSYVKV-NVHJWRPJSA-N	0	0	430.371	5.002	50	30		IKEARN
COc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1CSCc1ccco1	ZINC000019644158	523444947	/nfs/dbraw/zinc/44/49/47/523444947.db2.gz	VLKRULCIKXYHJA-FSJBWODESA-N	0	0	445.997	5.696	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1Br	ZINC000003050672	523456116	/nfs/dbraw/zinc/45/61/16/523456116.db2.gz	SKADHBYYVUGKCJ-WYMPLXKRSA-N	0	0	441.712	6.670	50	30		IKEARN
COc1ccc(/N=C\c2nc(-c3ccccc3)oc2OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000100902307	523472343	/nfs/dbraw/zinc/47/23/43/523472343.db2.gz	LWTDZZGXVXAKIK-MYYYXRDXSA-N	0	0	443.415	5.228	50	30		IKEARN
COc1ccc(Br)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1	ZINC000000696118	523486151	/nfs/dbraw/zinc/48/61/51/523486151.db2.gz	MOWNCQBXBIQIBW-XMMPIXPASA-N	0	0	434.333	6.284	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cc(Cl)cc3c2OCOC3)c(OCc2ccccc2)c1	ZINC000011617256	523537783	/nfs/dbraw/zinc/53/77/83/523537783.db2.gz	KWEXEUOOPDALAJ-JXMROGBWSA-N	0	0	436.891	5.690	50	30	biogenic	IKEARN
COc1ccc(C(=O)/C=C/c2c(C)nn(Cc3cccc4ccccc43)c2Cl)cc1OC	ZINC000013040998	523540036	/nfs/dbraw/zinc/54/00/36/523540036.db2.gz	WLYKLGGSGVHJDK-OUKQBFOZSA-N	0	0	446.934	5.960	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032972035	523640416	/nfs/dbraw/zinc/64/04/16/523640416.db2.gz	WBZNBYYWSYQDIF-UHFFFAOYSA-N	0	0	445.611	5.658	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl	ZINC000101315348	523669775	/nfs/dbraw/zinc/66/97/75/523669775.db2.gz	SRSOJXJDJDRYLG-MSIBFWPZSA-N	0	0	431.319	5.224	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@H]2c2ccco2)cc1	ZINC000009332489	523679516	/nfs/dbraw/zinc/67/95/16/523679516.db2.gz	PMKHIXTVTHTQKW-PUAOIOHZSA-N	0	0	428.488	5.355	50	30		IKEARN
CN1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1	ZINC000012604721	523738301	/nfs/dbraw/zinc/73/83/01/523738301.db2.gz	KHBXHLSTIOLHQI-VAQFQWRASA-N	0	0	447.170	5.193	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000008809706	523777607	/nfs/dbraw/zinc/77/76/07/523777607.db2.gz	HBTABMLBZYAMMQ-SMIHKQSGSA-N	0	0	437.524	5.041	50	30		IKEARN
COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c(OC)c1	ZINC000095496445	523794889	/nfs/dbraw/zinc/79/48/89/523794889.db2.gz	PEGZZIZHZPXEII-UHFFFAOYSA-N	0	0	428.525	5.190	50	30		IKEARN
CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)cc1	ZINC000035155577	523875208	/nfs/dbraw/zinc/87/52/08/523875208.db2.gz	VXRKAEJOVJUQQA-UYRXBGFRSA-N	0	0	440.977	6.538	50	30		IKEARN
CCc1ccc(/N=C2\c3ccccc3N(CN3CCC(Cc4ccccc4)CC3)C2=O)cc1	ZINC000001444631	523877194	/nfs/dbraw/zinc/87/71/94/523877194.db2.gz	NVVNULYIJWROEX-SJCQXOIGSA-N	0	0	437.587	5.629	50	30		IKEARN
COc1ccc(C2=NN([C@H](C#N)c3ccc(Br)cc3)[C@@H](c3ccccc3)C2)cc1	ZINC000012362835	523878135	/nfs/dbraw/zinc/87/81/35/523878135.db2.gz	NJYDEZOSBWRDCZ-DNQXCXABSA-N	0	0	446.348	5.874	50	30		IKEARN
COc1ccc(C=Nc2ccc(Oc3ccc(N=Cc4ccc(OC)cc4)cc3)cc2)cc1	ZINC000254821162	523883179	/nfs/dbraw/zinc/88/31/79/523883179.db2.gz	SSNRMSCFXPROTC-UHFFFAOYSA-N	0	0	436.511	6.997	50	30		IKEARN
COc1ccc(CC(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)cc1	ZINC000009971385	523907418	/nfs/dbraw/zinc/90/74/18/523907418.db2.gz	XDXOHXLWLKACDI-OAQYLSRUSA-N	0	0	439.342	6.147	50	30		IKEARN
CCc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1	ZINC000021355749	523973373	/nfs/dbraw/zinc/97/33/73/523973373.db2.gz	XFARLUOGFIBODQ-HHHXNRCGSA-N	0	0	441.531	5.461	50	30		IKEARN
CCc1ccc(OCc2nnc(Sc3ccc(C#N)cn3)n2[C@H](C)c2ccccc2)cc1	ZINC000024758920	524008001	/nfs/dbraw/zinc/00/80/01/524008001.db2.gz	RWJQJURBJLDNQS-GOSISDBHSA-N	0	0	441.560	5.447	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000008742245	524033725	/nfs/dbraw/zinc/03/37/25/524033725.db2.gz	UAMHNFUXDDMCPH-YIXXDRMTSA-N	0	0	443.587	5.810	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000008926756	524033888	/nfs/dbraw/zinc/03/38/88/524033888.db2.gz	FXNBYLPGDWPUPX-NPMXOYFQSA-N	0	0	441.618	5.685	50	30		IKEARN
CN1c2ccccc2C(C)(C)/C1=C/C(=O)c1cn(-c2ccccc2)nc1-c1cccs1	ZINC000012524600	524035139	/nfs/dbraw/zinc/03/51/39/524035139.db2.gz	JPFZBNKQODIPFU-JLPGSUDCSA-N	0	0	425.557	6.095	50	30		IKEARN
CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321101	524041067	/nfs/dbraw/zinc/04/10/67/524041067.db2.gz	WBGLFIYLTVLZBJ-HOYKHHGWSA-N	0	0	430.504	5.218	50	30		IKEARN
COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012652139	524043924	/nfs/dbraw/zinc/04/39/24/524043924.db2.gz	OBVSHULDLPEWHN-MHZLTWQESA-N	0	0	444.962	6.529	50	30		IKEARN
CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321102	524056686	/nfs/dbraw/zinc/05/66/86/524056686.db2.gz	WBGLFIYLTVLZBJ-UUOWRZLLSA-N	0	0	430.504	5.218	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1	ZINC000013571217	524060290	/nfs/dbraw/zinc/06/02/90/524060290.db2.gz	WDYAIVDJJLWZEM-HXUWFJFHSA-N	0	0	446.553	5.703	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3c(C)cccc3C)C2=O)c1	ZINC000003041808	524103393	/nfs/dbraw/zinc/10/33/93/524103393.db2.gz	OEODNHSTSCHKBO-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3ccc(C)cc3)c2C)cc1	ZINC000035843442	524109772	/nfs/dbraw/zinc/10/97/72/524109772.db2.gz	NTUVJUWCMMABBB-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2cccc(F)c2)cc1	ZINC000001204083	524110431	/nfs/dbraw/zinc/11/04/31/524110431.db2.gz	NOCCFNHRVZGIOG-XMMPIXPASA-N	0	0	449.522	5.182	50	30		IKEARN
COc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000018249863	524111971	/nfs/dbraw/zinc/11/19/71/524111971.db2.gz	YDTXFOIGDQGKQP-OAQYLSRUSA-N	0	0	444.453	5.401	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1O	ZINC000000815894	524130650	/nfs/dbraw/zinc/13/06/50/524130650.db2.gz	XYKAAHIVTFOQNE-QYBDOPJKSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1ccc(C)c(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000021721964	524137853	/nfs/dbraw/zinc/13/78/53/524137853.db2.gz	HMWDLWIUMFVQOQ-MHZLTWQESA-N	0	0	441.531	5.515	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1	ZINC000035655378	524216293	/nfs/dbraw/zinc/21/62/93/524216293.db2.gz	XMCULJXLVGTRNC-UHFFFAOYSA-N	0	0	435.936	5.185	50	30		IKEARN
Cc1ccc(C)n1-c1ccc(C=NNc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000008649575	524217842	/nfs/dbraw/zinc/21/78/42/524217842.db2.gz	ZGQQWHNMCVLVBF-KVSWJAHQSA-N	0	0	425.376	6.578	50	30		IKEARN
Cc1cccc(C(=O)O/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)c1	ZINC000012955396	524224537	/nfs/dbraw/zinc/22/45/37/524224537.db2.gz	QDGQSHKNHZYESH-JFLMPSFJSA-N	0	0	446.959	6.680	50	30		IKEARN
Cc1ccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304877	524226215	/nfs/dbraw/zinc/22/62/15/524226215.db2.gz	CZNPNQBZLXGIOK-UHFFFAOYSA-N	0	0	431.580	5.467	50	30		IKEARN
Cc1cccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)c1	ZINC000002542598	524227304	/nfs/dbraw/zinc/22/73/04/524227304.db2.gz	MUPYNUJGZUCIKW-WPWMEQJKSA-N	0	0	439.540	5.688	50	30		IKEARN
COc1cccc2cc(-c3csc(N/N=C(\C)c4ccc(Cl)cc4)n3)c(=O)oc21	ZINC000008432762	524255047	/nfs/dbraw/zinc/25/50/47/524255047.db2.gz	FVZDCSUEUKYLHR-WYMPLXKRSA-N	0	0	425.897	5.415	50	30		IKEARN
COc1cccc2cc(C(=O)/C=C/c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc21	ZINC000032808530	524257223	/nfs/dbraw/zinc/25/72/23/524257223.db2.gz	GPQIJOKWTGVQHC-VAWYXSNFSA-N	0	0	446.528	6.095	50	30		IKEARN
COc1ccccc1-c1nnc(S[C@@H](C#N)Cc2ccccc2)n1-c1ccc(Cl)cc1	ZINC000009127078	524290853	/nfs/dbraw/zinc/29/08/53/524290853.db2.gz	PBRUGJDPXMVVSU-HXUWFJFHSA-N	0	0	446.963	5.823	50	30		IKEARN
COc1ccccc1-c1nnc(S[C@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1	ZINC000011388581	524292007	/nfs/dbraw/zinc/29/20/07/524292007.db2.gz	OHTXOTIBCSORPK-HFITWMCCSA-N	0	0	435.549	5.106	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O	ZINC000002402161	524316070	/nfs/dbraw/zinc/31/60/70/524316070.db2.gz	XOJDZIHFUVXSQM-WDJNEDGGSA-N	0	0	432.859	5.740	50	30		IKEARN
COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C	ZINC000002294001	524328247	/nfs/dbraw/zinc/32/82/47/524328247.db2.gz	CGGREFCLEAARCV-LYAXJZIPSA-N	0	0	437.564	7.403	50	30		IKEARN
Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1	ZINC000013574798	524341947	/nfs/dbraw/zinc/34/19/47/524341947.db2.gz	ITSWMBFBGMIEJR-MDZDMXLPSA-N	0	0	433.558	5.705	50	30		IKEARN
COc1ccc(NC=CC(=O)c2cccc(OCc3c(F)cccc3Cl)c2)cc1Cl	ZINC000100293384	524379283	/nfs/dbraw/zinc/37/92/83/524379283.db2.gz	XBKFIHCFQHXZOM-ZHACJKMWSA-N	0	0	446.305	6.529	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1	ZINC000032943088	524409668	/nfs/dbraw/zinc/40/96/68/524409668.db2.gz	LRPIWYUNIDRPSO-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
Cc1cccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)c1	ZINC000012955422	524456994	/nfs/dbraw/zinc/45/69/94/524456994.db2.gz	OQOLHSNFTUPFJR-ANYBSYGZSA-N	0	0	425.479	6.807	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1	ZINC000020558808	524485767	/nfs/dbraw/zinc/48/57/67/524485767.db2.gz	PORDWXRXQKUSEB-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cc(C)cc(C)c3)S2(=O)=O)cc1	ZINC000020558798	524485980	/nfs/dbraw/zinc/48/59/80/524485980.db2.gz	BMXKBYAZPFGLNT-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3cccc(Cl)c3)S2(=O)=O)cc1	ZINC000020558774	524486543	/nfs/dbraw/zinc/48/65/43/524486543.db2.gz	MKKAOHKLYVIWRW-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C	ZINC000035843441	524493635	/nfs/dbraw/zinc/49/36/35/524493635.db2.gz	ICCKTHUATKVHRM-CEUNXORHSA-N	0	0	428.507	6.541	50	30		IKEARN
Cc1cccc(N2C3=C(C(=O)c4ccccc43)[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1	ZINC000002063454	524535353	/nfs/dbraw/zinc/53/53/53/524535353.db2.gz	MFLUFMCINVVGNQ-SANMLTNESA-N	0	0	445.562	6.850	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)n1	ZINC000018213356	524581051	/nfs/dbraw/zinc/58/10/51/524581051.db2.gz	MWLRZUAGMWOGSB-OAQYLSRUSA-N	0	0	442.346	5.303	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1F	ZINC000006015319	524584585	/nfs/dbraw/zinc/58/45/85/524584585.db2.gz	LQKQDGKVWVCMAN-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000021355933	524613519	/nfs/dbraw/zinc/61/35/19/524613519.db2.gz	ZJXSAIKIUPADPQ-DEOSSOPVSA-N	0	0	429.476	5.501	50	30		IKEARN
Cc1ccc(CO/N=C/c2c(-c3ccccc3)nn(C)c2Sc2ccc(Cl)cc2)cc1	ZINC000008733612	524625656	/nfs/dbraw/zinc/62/56/56/524625656.db2.gz	VFVJAFZRRZHLQV-JVWAILMASA-N	0	0	447.991	6.751	50	30		IKEARN
Cc1ccc(CSc2nc3n(n2)[C@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c(C)c1	ZINC000020134128	524650749	/nfs/dbraw/zinc/65/07/49/524650749.db2.gz	DHMSTSBBSKJNKE-JOCHJYFZSA-N	0	0	434.540	5.348	50	30		IKEARN
Cc1cccc(Nc2nc(N=NCc3ccccc3F)nc(N3CCC(C)CC3)n2)c1C	ZINC000008809772	524701427	/nfs/dbraw/zinc/70/14/27/524701427.db2.gz	KABPBXDNEDCOFP-CVKSISIWSA-N	0	0	433.535	5.053	50	30		IKEARN
COc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21	ZINC000009731826	524746225	/nfs/dbraw/zinc/74/62/25/524746225.db2.gz	RPFCIOZSOQYZED-OAQYLSRUSA-N	0	0	434.927	5.265	50	30		IKEARN
Cc1cccc(OP(=O)(NN=C2c3ccccc3NC2=O)Oc2cccc(C)c2C)c1C	ZINC000008853629	524769343	/nfs/dbraw/zinc/76/93/43/524769343.db2.gz	MSCLZMCLVUAWBW-UHFFFAOYSA-N	0	0	449.447	5.432	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000019867074	524802093	/nfs/dbraw/zinc/80/20/93/524802093.db2.gz	BVHGKMCFFRAWEG-CLOONOSVSA-N	0	0	431.532	5.008	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc2c(c1)OCO2	ZINC000013568663	524805675	/nfs/dbraw/zinc/80/56/75/524805675.db2.gz	FRACDMYJQALVPS-XGCWNURASA-N	0	0	440.499	5.403	50	30		IKEARN
COc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(SCc3ccccc3)nn21	ZINC000097964552	524806013	/nfs/dbraw/zinc/80/60/13/524806013.db2.gz	SLKIPFXXLBNJEZ-QFIPXVFZSA-N	0	0	446.576	5.237	50	30		IKEARN
COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652214	524806050	/nfs/dbraw/zinc/80/60/50/524806050.db2.gz	LPLOBBGHUSLRJJ-SANMLTNESA-N	0	0	444.556	5.506	50	30		IKEARN
Cc1cc(COc2ccc(Cl)cc2C)c(C)c(-c2c(C#N)c(N)nc3c2CCCC3)c1	ZINC000020602298	524806527	/nfs/dbraw/zinc/80/65/27/524806527.db2.gz	FXUUKDJEMHEAGW-UHFFFAOYSA-N	0	0	431.967	6.239	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)c1	ZINC000009559873	524911698	/nfs/dbraw/zinc/91/16/98/524911698.db2.gz	ZYDCFFHSFVTXPW-SJKOYZFVSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1	ZINC000009559993	524911750	/nfs/dbraw/zinc/91/17/50/524911750.db2.gz	DQMUKBLCFGBICH-CJNGLKHVSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc(OC)c([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)c1	ZINC000013568521	524912566	/nfs/dbraw/zinc/91/25/66/524912566.db2.gz	SYCGTWZEFYLLFC-DYESRHJHSA-N	0	0	433.548	5.006	50	30		IKEARN
COc1ccc(OCCOc2cc(C)cc(C)c2)c(C=NN=c2[nH]c3ccccc3s2)c1	ZINC000012465415	524963241	/nfs/dbraw/zinc/96/32/41/524963241.db2.gz	JJJVQTBILMJABN-WGOQTCKBSA-N	0	0	447.560	5.826	50	30		IKEARN
C[C@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1	ZINC000002181382	524979118	/nfs/dbraw/zinc/97/91/18/524979118.db2.gz	CUNJYZJOJJYKJT-HEOQCTJZSA-N	0	0	449.576	6.156	50	30		IKEARN
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])cc1	ZINC000015979203	524992093	/nfs/dbraw/zinc/99/20/93/524992093.db2.gz	HSMANNWPTVRTGH-WTDSWWLTSA-N	0	0	444.270	6.599	50	30		IKEARN
Cc1ccccc1/C=C1\Oc2cc(OS(=O)(=O)c3ccc(Cl)cc3)ccc2C1=O	ZINC000008990132	525039265	/nfs/dbraw/zinc/03/92/65/525039265.db2.gz	FUFLKSPVCRMLJR-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1	ZINC000021722030	525060457	/nfs/dbraw/zinc/06/04/57/525060457.db2.gz	CQUACJYGCKLNBJ-AREMUKBSSA-N	0	0	443.572	5.676	50	30		IKEARN
Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O	ZINC000013553101	525064995	/nfs/dbraw/zinc/06/49/95/525064995.db2.gz	LCVWCEXMHQBBOT-YVNNLAQVSA-N	0	0	448.858	5.350	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)c3c(c2C#N)CCCC3)cc1	ZINC000012644470	525078582	/nfs/dbraw/zinc/07/85/82/525078582.db2.gz	LAKGZIWZKJOBAP-UHFFFAOYSA-N	0	0	447.991	6.192	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(Cl)c1	ZINC000021722297	525152374	/nfs/dbraw/zinc/15/23/74/525152374.db2.gz	DDDVKZGTRFBVJF-XMMPIXPASA-N	0	0	447.922	6.454	50	30		IKEARN
Cc1ccc(NC(=O)ON=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1	ZINC000013395380	525188508	/nfs/dbraw/zinc/18/85/08/525188508.db2.gz	PMULFVCAQLQLLJ-UHFFFAOYSA-N	0	0	426.826	5.267	50	30		IKEARN
Cc1ccccc1NC=C1C(=O)c2sccc2N(Cc2ccc(Cl)cc2)S1(=O)=O	ZINC000020575725	525220044	/nfs/dbraw/zinc/22/00/44/525220044.db2.gz	UCNGOQJPWXUHES-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
COc1ccc([C@@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012889121	525227942	/nfs/dbraw/zinc/22/79/42/525227942.db2.gz	PWWYPAHTCBJJEM-NRFANRHFSA-N	0	0	445.559	5.352	50	30	biogenic	IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@@H]3c2ccco2)cc1	ZINC000006498942	525230093	/nfs/dbraw/zinc/23/00/93/525230093.db2.gz	VKWBHSAKGOIDEP-HFJWLAOPSA-N	0	0	428.488	5.209	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(F)cc2)cc1	ZINC000064873968	525255903	/nfs/dbraw/zinc/25/59/03/525255903.db2.gz	ICOLSOBTVNBSDX-QHCPKHFHSA-N	0	0	444.510	5.241	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(F)c(F)c2)cc1C	ZINC000064775614	525256103	/nfs/dbraw/zinc/25/61/03/525256103.db2.gz	ABERDVLOSHBRIR-HSZRJFAPSA-N	0	0	448.473	5.052	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1ccc(Cl)cc1	ZINC000064775595	525264529	/nfs/dbraw/zinc/26/45/29/525264529.db2.gz	OZJPBDOYMACUAG-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000013568556	525269644	/nfs/dbraw/zinc/26/96/44/525269644.db2.gz	BNQZVNDPPTXWIL-QUGAMOGWSA-N	0	0	446.934	6.034	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3Cl)nn21	ZINC000009856511	525376883	/nfs/dbraw/zinc/37/68/83/525376883.db2.gz	FRYCUHWHCCWHRC-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
C[C@@H]1C[C@H](C)C[N@@H+](Cc2c3c(ccc2[O-])C(=O)/C(=C/c2ccc(Cl)cc2Cl)O3)C1	ZINC000013654400	525383348	/nfs/dbraw/zinc/38/33/48/525383348.db2.gz	ASMRQDHESBTGRW-IBYOTXECSA-N	0	0	432.347	5.793	50	30		IKEARN
Cc1cc(Oc2ccc(C(=N)NOC(=O)c3cccs3)cc2[N+](=O)[O-])cc(C)c1Cl	ZINC000012369673	525383901	/nfs/dbraw/zinc/38/39/01/525383901.db2.gz	SWRDZTPTEDXKGD-UHFFFAOYSA-N	0	0	445.884	5.196	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1	ZINC000013592296	525394363	/nfs/dbraw/zinc/39/43/63/525394363.db2.gz	BRBXTEDIMJPHRJ-VWLOTQADSA-N	0	0	446.547	5.257	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1	ZINC000009488028	525397498	/nfs/dbraw/zinc/39/74/98/525397498.db2.gz	ODYMRBPZHOQQTA-FQRUVTKNSA-N	0	0	447.534	5.699	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1	ZINC000018106881	525398338	/nfs/dbraw/zinc/39/83/38/525398338.db2.gz	WDWAQXJHXSWBCK-WINIVTDRSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)cc1	ZINC000000883130	525398575	/nfs/dbraw/zinc/39/85/75/525398575.db2.gz	DVDPCBUPISECOT-DXPJPUQTSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3/C=C/c3ccccc3)C2)cc1	ZINC000010035375	525399233	/nfs/dbraw/zinc/39/92/33/525399233.db2.gz	LFSSYFWGTHSGLA-VUMVYOQZSA-N	0	0	447.538	6.126	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3ccc(F)cc3)C2)cc1	ZINC000009546503	525399993	/nfs/dbraw/zinc/39/99/93/525399993.db2.gz	JBTUOHMTNWAOJK-DWXRJYCRSA-N	0	0	439.490	5.600	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2F)cc1OC	ZINC000033324898	525401805	/nfs/dbraw/zinc/40/18/05/525401805.db2.gz	BRUBXGKOVGUKFP-CMJOXMDJSA-N	0	0	434.467	5.098	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1	ZINC000102580663	525404144	/nfs/dbraw/zinc/40/41/44/525404144.db2.gz	ALQJVCLZXJUQKW-IBVKSMDESA-N	0	0	447.534	6.539	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009601017	525430072	/nfs/dbraw/zinc/43/00/72/525430072.db2.gz	RKVRSJGSJWAWLW-SMSORMJASA-N	0	0	431.535	6.916	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	ZINC000018143424	525430894	/nfs/dbraw/zinc/43/08/94/525430894.db2.gz	UXXFGVKPOTVQKM-UZTOHYMASA-N	0	0	426.516	5.683	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3ccc(C(C)(C)C)cc3)nn21	ZINC000012639957	525433342	/nfs/dbraw/zinc/43/33/42/525433342.db2.gz	AJHVPYBLECCNCZ-DEOSSOPVSA-N	0	0	440.591	6.209	50	30		IKEARN
COc1ccc([C@H]2c3cc(OC)c(OC)cc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000018197554	525443150	/nfs/dbraw/zinc/44/31/50/525443150.db2.gz	MQOONJYZPNMPEZ-LMKMVOKYSA-N	0	0	447.556	5.732	50	30		IKEARN
Cc1ccc(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)[C@@H](C#N)c2nc3ccccc3[nH]2)cc1	ZINC000009090801	525484547	/nfs/dbraw/zinc/48/45/47/525484547.db2.gz	WEDSNXWNOUSWQX-JWYWCWIRSA-N	0	0	448.935	5.010	50	30		IKEARN
Cc1c(C#N)c(Sc2ccccc2NC(=O)c2ccc(Cl)cc2)nc2ccccc12	ZINC000012370041	525532514	/nfs/dbraw/zinc/53/25/14/525532514.db2.gz	USHWAYNPKGTOEJ-UHFFFAOYSA-N	0	0	429.932	6.472	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000008431163	525533515	/nfs/dbraw/zinc/53/35/15/525533515.db2.gz	ZXOVSPPEKNYKJJ-XPUQUNOQSA-N	0	0	439.353	5.274	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Cl)c(Cl)c2)c1CCC(C)C	ZINC000016945585	525533636	/nfs/dbraw/zinc/53/36/36/525533636.db2.gz	PAFLXGAQBCVHQW-UHFFFAOYSA-N	0	0	437.374	7.307	50	30		IKEARN
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(I)cc2)o1	ZINC000012363680	525558598	/nfs/dbraw/zinc/55/85/98/525558598.db2.gz	KSEISMKTKWDQQQ-JAIQZWGSSA-N	0	0	447.232	5.214	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018107743	525592545	/nfs/dbraw/zinc/59/25/45/525592545.db2.gz	QZJRQBFNIKGYNQ-JOCHJYFZSA-N	0	0	425.370	6.288	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1	ZINC000012565787	525597712	/nfs/dbraw/zinc/59/77/12/525597712.db2.gz	BXHSEJWQNJEJHL-VGOFMYFVSA-N	0	0	445.462	5.711	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(C)cc4)c3C)C1=O)cn2C	ZINC000028182494	525599541	/nfs/dbraw/zinc/59/95/41/525599541.db2.gz	NSJVESBVBFHOAR-ZMFRSBBQSA-N	0	0	439.511	5.999	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(Cl)cc4)ccc3C1=O)cn2C	ZINC000008991182	525599628	/nfs/dbraw/zinc/59/96/28/525599628.db2.gz	FFLARXNIEYFXAT-OPEKNORGSA-N	0	0	445.902	6.036	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cccc(OC)c4)ccc3C1=O)cn2C	ZINC000008993463	525600716	/nfs/dbraw/zinc/60/07/16/525600716.db2.gz	WZAIHFAOJMPCHQ-RPPGKUMJSA-N	0	0	441.483	5.391	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000253597585	525624908	/nfs/dbraw/zinc/62/49/08/525624908.db2.gz	DJKUHJBPRWSFHW-ZGXJCFJZSA-N	0	0	430.654	6.502	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)(C)C)cc2)C3=O)cc1	ZINC000013682183	525626004	/nfs/dbraw/zinc/62/60/04/525626004.db2.gz	XKUJLRBSDHYVJV-IWIPYMOSSA-N	0	0	448.540	5.676	50	30		IKEARN
Cc1cc2ccccn2c1C(=O)c1ccc(N=NC2CCC(C(C)(C)C)CC2)c([N+](=O)[O-])c1	ZINC000012562971	525656864	/nfs/dbraw/zinc/65/68/64/525656864.db2.gz	ACNHOEQLFHGCOV-UHFFFAOYSA-N	0	0	446.551	6.391	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2cccc(Cl)c2Cl)c1	ZINC000009861135	525675925	/nfs/dbraw/zinc/67/59/25/525675925.db2.gz	FCBSXAHZDYQGAO-FQEVSTJZSA-N	0	0	442.346	5.303	50	30		IKEARN
Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc4noc(-c5ccccc5)c4c3)o2)cc1Cl	ZINC000036636061	525743738	/nfs/dbraw/zinc/74/37/38/525743738.db2.gz	AYEHFMQTYNBBSJ-JLHYYAGUSA-N	0	0	439.898	7.613	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1	ZINC000009679020	525770610	/nfs/dbraw/zinc/77/06/10/525770610.db2.gz	RZNALYVPKBLOEL-DZNDYGJHSA-N	0	0	428.557	5.850	50	30		IKEARN
Cc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)c(Cl)c1	ZINC000039383870	525779024	/nfs/dbraw/zinc/77/90/24/525779024.db2.gz	OPOUJFOMWDHVFB-JLPGSUDCSA-N	0	0	431.746	5.874	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)s1	ZINC000009113495	525787365	/nfs/dbraw/zinc/78/73/65/525787365.db2.gz	VVLLUTNDRUIFPM-WAIKUNEKSA-N	0	0	441.618	5.679	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc1	ZINC000020850300	525792135	/nfs/dbraw/zinc/79/21/35/525792135.db2.gz	NUKWBMSLRRIYTB-JOCHJYFZSA-N	0	0	448.567	5.676	50	30		IKEARN
Cc1ccsc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2	ZINC000015945601	525815840	/nfs/dbraw/zinc/81/58/40/525815840.db2.gz	RPSZMEKANDWJCC-AEIQVQRHSA-N	0	0	436.646	7.272	50	30		IKEARN
Cc1ccsc1/C=C1\S/C(=N\c2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000002745321	525816164	/nfs/dbraw/zinc/81/61/64/525816164.db2.gz	FIJWMXCSVRBIGI-MKRFAJQFSA-N	0	0	432.614	7.099	50	30		IKEARN
Cc1ccc([C@@H]2C[C@@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1	ZINC000008857095	525848508	/nfs/dbraw/zinc/84/85/08/525848508.db2.gz	OCXRYRIXDALDHC-IBPHRZDCSA-N	0	0	442.317	6.806	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000004793477	525866796	/nfs/dbraw/zinc/86/67/96/525866796.db2.gz	DLZUCPMONZJFMT-FQEVSTJZSA-N	0	0	447.535	5.074	50	30		IKEARN
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(Cl)cc3)c2-c2ccccc2)cc1	ZINC000009934764	525892903	/nfs/dbraw/zinc/89/29/03/525892903.db2.gz	MRBNOGILXMKRED-RUMWWMSVSA-N	0	0	446.981	8.524	50	30		IKEARN
Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C\c2ccc(Cl)cc2)CCCC4)cc1	ZINC000033626414	525894533	/nfs/dbraw/zinc/89/45/33/525894533.db2.gz	XDMNSWDLCWHEDU-WGARJPEWSA-N	0	0	448.979	5.734	50	30		IKEARN
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000020606251	525933359	/nfs/dbraw/zinc/93/33/59/525933359.db2.gz	YBSVIYLDKAMQIP-KGLIPLIRSA-N	0	0	427.526	5.085	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(OCCC(C)C)c2)o1	ZINC000001019955	526027044	/nfs/dbraw/zinc/02/70/44/526027044.db2.gz	CBYNSGURWQTNBK-HSZRJFAPSA-N	0	0	449.503	5.384	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009434557	526042689	/nfs/dbraw/zinc/04/26/89/526042689.db2.gz	KUGGIIYEUXJTCI-HHHXNRCGSA-N	0	0	436.555	6.448	50	30		IKEARN
Cc1ccc([C@H]2N=C(SCc3c(F)cccc3Cl)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954668	526043400	/nfs/dbraw/zinc/04/34/00/526043400.db2.gz	GLSDWIARAGBKDB-JOCHJYFZSA-N	0	0	448.950	6.329	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4cccc(F)c4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000004793485	526047752	/nfs/dbraw/zinc/04/77/52/526047752.db2.gz	DLZUCPMONZJFMT-HXUWFJFHSA-N	0	0	447.535	5.074	50	30		IKEARN
Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc(Cl)c1	ZINC000008781214	526096532	/nfs/dbraw/zinc/09/65/32/526096532.db2.gz	CDRLBDWYTUESJB-FDAWAROLSA-N	0	0	443.034	7.966	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2	ZINC000008809785	526194803	/nfs/dbraw/zinc/19/48/03/526194803.db2.gz	JAHNEERZSBIKFN-BBZXKIHQSA-N	0	0	433.382	7.879	50	30		IKEARN
C[C@H]1CC(C)(C)N(C)c2ccc([C@H]3C4C(=O)CCCC4=Nc4nc5ccccc5n43)cc21	ZINC000230144279	526224259	/nfs/dbraw/zinc/22/42/59/526224259.db2.gz	FMTLDGNAGVCGTD-LMKMVOKYSA-N	0	0	426.564	5.780	50	30		IKEARN
CSc1sc(C)cc1[C@@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2	ZINC000009984987	526234215	/nfs/dbraw/zinc/23/42/15/526234215.db2.gz	DNMTVJMATFLCQQ-HXUWFJFHSA-N	0	0	439.606	5.088	50	30		IKEARN
CSc1sc(Br)c2c1/C(=N/OC(=O)c1cccs1)CC(C)(C)C2	ZINC000012367036	526234304	/nfs/dbraw/zinc/23/43/04/526234304.db2.gz	ASAQIRQMZWUEOA-VCHYOVAHSA-N	0	0	430.414	5.828	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N32)c(C)c1	ZINC000035896901	526239917	/nfs/dbraw/zinc/23/99/17/526239917.db2.gz	HJULPICYDRMERV-CYXNTTPDSA-N	0	0	448.501	5.122	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000036020225	526240827	/nfs/dbraw/zinc/24/08/27/526240827.db2.gz	LATHMBIBTZXTOU-OHSXHVKISA-N	0	0	433.486	5.544	50	30		IKEARN
Oc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(O)cc4O)cc3)cc2)c(O)c1	ZINC000004178081	526339628	/nfs/dbraw/zinc/33/96/28/526339628.db2.gz	RKFJKEKDCJPASA-DPCVLPDWSA-N	0	0	440.455	5.803	50	30		IKEARN
Oc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(O)c(O)c4)cc3)cc2)cc1O	ZINC000001045505	526340280	/nfs/dbraw/zinc/34/02/80/526340280.db2.gz	JVTGQUJALZMOKI-LPHFKDDMSA-N	0	0	438.483	5.601	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1ccc2c(ccc3c4ccccc4ccc23)c1	ZINC000012368534	526342397	/nfs/dbraw/zinc/34/23/97/526342397.db2.gz	TUZLLMWGZZMJEX-JFLMPSFJSA-N	0	0	426.313	7.365	50	30		IKEARN
O=C([O-])c1ccc(NC(NCc2ccc(F)cc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304889	526372631	/nfs/dbraw/zinc/37/26/31/526372631.db2.gz	OEMOYPFMFSUUHB-UHFFFAOYSA-N	0	0	449.570	5.688	50	30		IKEARN
S=c1[n-]nc(-c2cc(-c3ccccc3)[nH]n2)n1N=Cc1c2ccccc2cc2ccccc21	ZINC000012508129	526386944	/nfs/dbraw/zinc/38/69/44/526386944.db2.gz	WCLOWKRTLPNLSV-JVWAILMASA-N	0	0	446.539	6.186	50	30		IKEARN
Cc1nnc(S[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1	ZINC000009788865	526387457	/nfs/dbraw/zinc/38/74/57/526387457.db2.gz	JBBXAOFOEKGSQC-AWEZNQCLSA-N	0	0	443.642	5.413	50	30		IKEARN
N#CC1(C#N)[C@@H](c2cccc(F)c2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21	ZINC000019817753	526429552	/nfs/dbraw/zinc/42/95/52/526429552.db2.gz	ZCQXDEVYYADLAT-GSLIJJQTSA-N	0	0	437.449	5.375	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21	ZINC000009272253	526429908	/nfs/dbraw/zinc/42/99/08/526429908.db2.gz	QKQMMWKKUAROFK-CCDWMCETSA-N	0	0	435.914	5.624	50	30		IKEARN
N#CC1(C#N)[C@@H](c2cccs2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21	ZINC000020814325	526430040	/nfs/dbraw/zinc/43/00/40/526430040.db2.gz	QZNUVBSFMIMCKU-ZDXQCDESSA-N	0	0	425.488	5.297	50	30		IKEARN
O=C(Oc1c(Cl)cc(Cl)cc1/C=N/c1cccc(C(F)(F)F)c1)c1ccccc1	ZINC000017023465	526437771	/nfs/dbraw/zinc/43/77/71/526437771.db2.gz	LSCOIZUYQCZVAE-KKMKTNMSSA-N	0	0	438.232	6.982	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1ccc(Cl)cc1Cl	ZINC000002578281	526439258	/nfs/dbraw/zinc/43/92/58/526439258.db2.gz	BREZPRYZWDMUSI-ZMOGYAJESA-N	0	0	444.343	5.533	50	30		IKEARN
O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccccc1Cl	ZINC000002223352	526441651	/nfs/dbraw/zinc/44/16/51/526441651.db2.gz	DKNWEYKCAVKJPI-UHFFFAOYSA-N	0	0	438.266	5.501	50	30		IKEARN
O=C(Oc1ccccc1/C=C1/Sc2ccccc2C1=O)c1ccc(Br)o1	ZINC000033447964	526447693	/nfs/dbraw/zinc/44/76/93/526447693.db2.gz	DJLKLTPGRDBWDI-GZTJUZNOSA-N	0	0	427.275	5.591	50	30		IKEARN
N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(F)(F)F	ZINC000009129342	526464426	/nfs/dbraw/zinc/46/44/26/526464426.db2.gz	RPCVKUSPGWWNAV-UHFFFAOYSA-N	0	0	438.862	5.353	50	30		IKEARN
N#CCCn1cc(C(=O)CN2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21	ZINC000057373590	526466642	/nfs/dbraw/zinc/46/66/42/526466642.db2.gz	DZJQAODQUJZJTC-SFHVURJKSA-N	0	0	428.561	5.227	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc(Cl)cc1	ZINC000013097503	526467530	/nfs/dbraw/zinc/46/75/30/526467530.db2.gz	SVSLTKPRECYPQG-HSZRJFAPSA-N	0	0	425.923	6.376	50	30		IKEARN
N#CCCn1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)c(-c2ccccc2)n1	ZINC000008965907	526468201	/nfs/dbraw/zinc/46/82/01/526468201.db2.gz	QUBSQSUURKXMLG-AREMUKBSSA-N	0	0	433.515	5.230	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(C(F)(F)F)nc1SCn1cc(Br)cn1	ZINC000017103033	526516797	/nfs/dbraw/zinc/51/67/97/526516797.db2.gz	JXRHJALAOHEHFZ-UHFFFAOYSA-N	0	0	439.260	5.348	50	30		IKEARN
N#Cc1cc(Cl)ncc1NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000328600352	526554647	/nfs/dbraw/zinc/55/46/47/526554647.db2.gz	XIYPEDKJBNBHRB-UHFFFAOYSA-N	0	0	444.244	5.178	50	30		IKEARN
Cc1nc(-c2ccc(NC(=O)c3ccccc3SCc3ccc(C#N)cc3)cc2)cs1	ZINC000012798467	526577558	/nfs/dbraw/zinc/57/75/58/526577558.db2.gz	FIBYSZDQIJVAPR-UHFFFAOYSA-N	0	0	441.581	6.535	50	30		IKEARN
N#Cc1ccc(CN2CCCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)C2=O)cc1	ZINC000034734427	526611055	/nfs/dbraw/zinc/61/10/55/526611055.db2.gz	JNKVGXJEDMYWRZ-UHFFFAOYSA-N	0	0	444.922	5.296	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009575283	526676328	/nfs/dbraw/zinc/67/63/28/526676328.db2.gz	SCVOZDPFOPEBOP-ASSNKEHSSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000009530890	526676395	/nfs/dbraw/zinc/67/63/95/526676395.db2.gz	PUNJQDNEQDEVMZ-SZNDQCEHSA-N	0	0	425.315	6.248	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCC1	ZINC000012375328	526749986	/nfs/dbraw/zinc/74/99/86/526749986.db2.gz	YJYMMUDJPLXJEZ-UHFFFAOYSA-N	0	0	427.529	5.198	50	30		IKEARN
O=C(c1cccc(C#Cc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000008856339	526751731	/nfs/dbraw/zinc/75/17/31/526751731.db2.gz	LOMWMVFDEDHQBR-UHFFFAOYSA-N	0	0	434.461	5.068	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCC(Cc2ccccc2)CC1	ZINC000020890994	526784792	/nfs/dbraw/zinc/78/47/92/526784792.db2.gz	RNBAKCFKBJBMOC-UHFFFAOYSA-N	0	0	439.515	5.844	50	30		IKEARN
N#Cc1nc(Cc2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000020437679	526785638	/nfs/dbraw/zinc/78/56/38/526785638.db2.gz	WNWYQUYHRMXFOC-UHFFFAOYSA-N	0	0	434.543	5.049	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1c[nH]c3ccccc31)N2	ZINC000015821833	526797878	/nfs/dbraw/zinc/79/78/78/526797878.db2.gz	RKJBXHXTLVMNQI-HHHXNRCGSA-N	0	0	433.511	5.985	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1cccc(Cl)c1)N2	ZINC000009861359	526798190	/nfs/dbraw/zinc/79/81/90/526798190.db2.gz	OHMAFGPLYJZEIW-VWLOTQADSA-N	0	0	428.919	6.157	50	30		IKEARN
O=C(c1ccccc1Cl)c1cc(Cl)ccc1/N=C\c1cc(Br)ccc1O	ZINC000090451224	526804225	/nfs/dbraw/zinc/80/42/25/526804225.db2.gz	QGOJPMZZECMTCD-MYKKPKGFSA-N	0	0	449.131	6.443	50	30		IKEARN
N=C(NOC(=O)c1cccc(Cl)c1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	ZINC000035622977	526805209	/nfs/dbraw/zinc/80/52/09/526805209.db2.gz	GEPIMYBBSQXAGP-UHFFFAOYSA-N	0	0	435.789	5.023	50	30		IKEARN
N=C(NOC(=O)c1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2Cl)CC1	ZINC000012369080	526805485	/nfs/dbraw/zinc/80/54/85/526805485.db2.gz	YURRZAHGNOBPEU-UHFFFAOYSA-N	0	0	433.213	5.053	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)Nc1ccc(F)cc1	ZINC000021722055	526827483	/nfs/dbraw/zinc/82/74/83/526827483.db2.gz	XTHBDTKCZISFML-VWLOTQADSA-N	0	0	447.535	5.506	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1ccccc1F	ZINC000020503315	526827496	/nfs/dbraw/zinc/82/74/96/526827496.db2.gz	NTHACJRDXJMIET-RUZDIDTESA-N	0	0	431.467	5.038	50	30		IKEARN
Clc1ccc(-c2cc(-c3csc(N=NCc4ccccc4Cl)n3)on2)c(Cl)c1	ZINC000012369803	526933221	/nfs/dbraw/zinc/93/32/21/526933221.db2.gz	JNCSGCKTPVMWGT-NUGSKGIGSA-N	0	0	449.750	6.871	50	30		IKEARN
Clc1ccc(-c2nc3ccccn3c2/N=C/c2ccc(Br)cc2)c(Cl)c1	ZINC000008809498	526935931	/nfs/dbraw/zinc/93/59/31/526935931.db2.gz	KHJGHRNLYRYWAU-WYMPLXKRSA-N	0	0	445.147	6.821	50	30		IKEARN
Clc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1	ZINC000009320737	526940335	/nfs/dbraw/zinc/94/03/35/526940335.db2.gz	OAJLBXBPGDIFFQ-LUJVFJMUSA-N	0	0	435.958	7.446	50	30		IKEARN
Clc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccncc2)c(Cl)c1	ZINC000009659614	526940980	/nfs/dbraw/zinc/94/09/80/526940980.db2.gz	KQWVCKIENBHDHT-DHRITJCHSA-N	0	0	440.359	5.821	50	30		IKEARN
O=C1/C(=C/c2cccc(Cl)c2)CN(Cc2ccccc2)C/C1=C\c1cccc(Cl)c1	ZINC000020115378	526941966	/nfs/dbraw/zinc/94/19/66/526941966.db2.gz	MFHOLABOFBYEGK-FWSOMWAYSA-N	0	0	434.366	6.545	50	30		IKEARN
O=C1/C(=C\c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)c(F)c1	ZINC000035229438	526946772	/nfs/dbraw/zinc/94/67/72/526946772.db2.gz	PDYHCWPXGVXJJG-JTMCVSSMSA-N	0	0	437.436	5.795	50	30		IKEARN
O=C1/C(=N/Nc2ccc([N+](=O)[O-])cc2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21	ZINC000008854825	526948427	/nfs/dbraw/zinc/94/84/27/526948427.db2.gz	MOPWHNVGHYBXAG-QLYXXIJNSA-N	0	0	441.472	5.297	50	30		IKEARN
Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)c(Cl)c1	ZINC000012338549	526949372	/nfs/dbraw/zinc/94/93/72/526949372.db2.gz	TUGYVFZACNTPNE-UHFFFAOYSA-N	0	0	448.440	7.451	50	30		IKEARN
Clc1ccc(CO/N=C/c2c(Sc3ccccc3)nc3sccn23)c(Cl)c1	ZINC000003027738	526950038	/nfs/dbraw/zinc/95/00/38/526950038.db2.gz	SSFMAYRVFWYPBB-SSDVNMTOSA-N	0	0	434.373	6.405	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@H](c3cccc(Cl)c3)C12	ZINC000009597395	526968865	/nfs/dbraw/zinc/96/88/65/526968865.db2.gz	WVALXGHEJZMJIN-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
Clc1cccc(-c2[nH]c(-c3cccc(C#Cc4ccccc4)c3)nc2-c2ccccc2)c1	ZINC000012323305	526971513	/nfs/dbraw/zinc/97/15/13/526971513.db2.gz	DFMMYWZPHBMLMV-UHFFFAOYSA-N	0	0	430.938	7.464	50	30		IKEARN
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2	ZINC000000681892	527022383	/nfs/dbraw/zinc/02/23/83/527022383.db2.gz	GLQSVDUEQKXPIZ-GKVSMKOHSA-N	0	0	445.906	6.228	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2cc(Cl)ccc21	ZINC000012569564	527022759	/nfs/dbraw/zinc/02/27/59/527022759.db2.gz	JMWNMWSRARGPOF-YRNVUSSQSA-N	0	0	443.886	5.484	50	30		IKEARN
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccc(F)cc3)CC2=O)N1	ZINC000009559933	527022950	/nfs/dbraw/zinc/02/29/50/527022950.db2.gz	JUEYCOQFLNHMEV-XXBNENTESA-N	0	0	427.475	5.622	50	30		IKEARN
Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C	ZINC000012520125	527023131	/nfs/dbraw/zinc/02/31/31/527023131.db2.gz	HFMWTEOTWVTYJJ-APWPAUIKSA-N	0	0	439.625	5.040	50	30		IKEARN
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2	ZINC000000681891	527032986	/nfs/dbraw/zinc/03/29/86/527032986.db2.gz	GLQSVDUEQKXPIZ-CRICUBBOSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1Br)Nc1ccccc1N2	ZINC000000709507	527033000	/nfs/dbraw/zinc/03/30/00/527033000.db2.gz	ASSBIDWZDQGTAA-CRICUBBOSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Br)c1)Nc1ccccc1N2	ZINC000000672603	527033149	/nfs/dbraw/zinc/03/31/49/527033149.db2.gz	JKOMNYJZWAZQKC-CJAUYULYSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(Sc2ccc(Cl)cc2)o1	ZINC000002173330	527042482	/nfs/dbraw/zinc/04/24/82/527042482.db2.gz	KYZPDXKYUDWQMG-BOPFTXTBSA-N	0	0	430.913	6.115	50	30		IKEARN
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000009311759	527043180	/nfs/dbraw/zinc/04/31/80/527043180.db2.gz	JSFOSVVHBVNLMZ-CPNJWEJPSA-N	0	0	442.928	5.130	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC1CCCCC1	ZINC000008826756	527059096	/nfs/dbraw/zinc/05/90/96/527059096.db2.gz	CMMCSSRRBUPWFC-ZMOGYAJESA-N	0	0	444.025	6.241	50	30		IKEARN
O=C1ON=C(c2cccc([N+](=O)[O-])c2)/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000252495390	527099076	/nfs/dbraw/zinc/09/90/76/527099076.db2.gz	OPMLANDLXCWTHI-CIAFOILYSA-N	0	0	434.835	5.172	50	30		IKEARN
O=C1[C@@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000002671083	527103160	/nfs/dbraw/zinc/10/31/60/527103160.db2.gz	ZJLGJHFZDDYDPB-AYZDXIITSA-N	0	0	427.356	6.372	50	30		IKEARN
O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1cccc(Br)c1	ZINC000011869988	527122212	/nfs/dbraw/zinc/12/22/12/527122212.db2.gz	FMEXQUIIJMAMJY-NHDPSOOVSA-N	0	0	425.253	5.783	50	30		IKEARN
O=C1c2ccc(OCc3ccc(Cl)cc3Cl)cc2O/C1=C\c1ccc2c(c1)OCO2	ZINC000008990557	527122315	/nfs/dbraw/zinc/12/23/15/527122315.db2.gz	XVOMTHXRTYKHDW-UYOCIXKTSA-N	0	0	441.266	5.917	50	30		IKEARN
O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(-c2ccccc2)cc1	ZINC000013569136	527122829	/nfs/dbraw/zinc/12/28/29/527122829.db2.gz	QWISISPZCXFDHG-XEJBWBEKSA-N	0	0	430.503	7.062	50	30		IKEARN
O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)O3	ZINC000218078929	527124520	/nfs/dbraw/zinc/12/45/20/527124520.db2.gz	BXNOBDTXRLWMJR-VCDYGYSOSA-N	0	0	438.266	5.446	50	30	biogenic	IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000010059708	527133441	/nfs/dbraw/zinc/13/34/41/527133441.db2.gz	TZGRFSWZCQAQBE-MUUNZHRXSA-N	0	0	433.532	7.345	50	30		IKEARN
O=C1c2sccc2N(Cc2ccc(F)cc2)S(=O)(=O)C1=CNc1cccc(Cl)c1	ZINC000020575777	527139383	/nfs/dbraw/zinc/13/93/83/527139383.db2.gz	IWOSTKKZVPRKSD-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccnc2ccccc12	ZINC000058167190	527139873	/nfs/dbraw/zinc/13/98/73/527139873.db2.gz	QYNPXBBHIZVBNV-SDNWHVSQSA-N	0	0	434.926	7.308	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1c(F)cccc1Cl	ZINC000039988976	527139945	/nfs/dbraw/zinc/13/99/45/527139945.db2.gz	QMBOIQDSHDSPTQ-ACCUITESSA-N	0	0	436.313	7.552	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000012569563	527139992	/nfs/dbraw/zinc/13/99/92/527139992.db2.gz	ALOTVNMXXHAMKK-YRNVUSSQSA-N	0	0	427.887	6.488	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000012958025	527180794	/nfs/dbraw/zinc/18/07/94/527180794.db2.gz	JSRASXQLAWASLT-GBPUDXIESA-N	0	0	432.820	5.419	50	30		IKEARN
O=C(Nc1ccc(F)cc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	ZINC000021722356	527201198	/nfs/dbraw/zinc/20/11/98/527201198.db2.gz	UXMJPCZSTGZVAR-HSZRJFAPSA-N	0	0	433.508	6.100	50	30		IKEARN
O=C(Nc1ccc(F)cc1)OCc1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	ZINC000012340691	527202876	/nfs/dbraw/zinc/20/28/76/527202876.db2.gz	GJEXCQSFQNNJDM-UHFFFAOYSA-N	0	0	447.306	6.872	50	30		IKEARN
O=S1(=O)CCC(=NNc2c(Cl)cc(C(F)(F)F)cc2Cl)c2ccsc21	ZINC000012961627	527298148	/nfs/dbraw/zinc/29/81/48/527298148.db2.gz	NWJZVZXSCXCIIX-JAIQZWGSSA-N	0	0	429.272	5.067	50	30		IKEARN
O=C(Nc1cccc(C(F)(F)F)c1)O/N=C1/c2ccccc2N(c2ccccc2)C1=O	ZINC000012338660	527331760	/nfs/dbraw/zinc/33/17/60/527331760.db2.gz	HBGORJIVUCTXSL-DIBXZPPDSA-N	0	0	425.366	5.337	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2ccc(-c3csc(N=NCc4c[nH]c5ccccc45)n3)o2)cc1	ZINC000012195363	527340932	/nfs/dbraw/zinc/34/09/32/527340932.db2.gz	SUSZJPCJGWGUBV-WYMPLXKRSA-N	0	0	429.461	5.906	50	30		IKEARN
O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012960300	527344339	/nfs/dbraw/zinc/34/43/39/527344339.db2.gz	NKAJMJNCVXJYNQ-HPLNABNRSA-N	0	0	436.895	5.852	50	30		IKEARN
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1	ZINC000100507491	527396251	/nfs/dbraw/zinc/39/62/51/527396251.db2.gz	BBGRMMLGMSPOBT-VULFUBBASA-N	0	0	443.846	7.067	50	30		IKEARN
O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	ZINC000021722344	527416014	/nfs/dbraw/zinc/41/60/14/527416014.db2.gz	WUOQABCHMVFLCT-HSZRJFAPSA-N	0	0	449.963	6.614	50	30		IKEARN
Nc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000008648737	527466354	/nfs/dbraw/zinc/46/63/54/527466354.db2.gz	ABQFHLASRNQIKH-ITYLOYPMSA-N	0	0	448.478	5.993	50	30		IKEARN
O=c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)oc2ccccc12	ZINC000000711586	527484356	/nfs/dbraw/zinc/48/43/56/527484356.db2.gz	KBXAJVANAVAWLX-QWXGXRTQSA-N	0	0	440.524	5.834	50	30		IKEARN
O=C(NC1CCCCC1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000012652151	527514177	/nfs/dbraw/zinc/51/41/77/527514177.db2.gz	SQDBBVURPPOYFW-VWLOTQADSA-N	0	0	449.982	6.363	50	30		IKEARN
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C/C(=O)c1ccc(N2CCOCC2)cc1	ZINC000013130206	527534472	/nfs/dbraw/zinc/53/44/72/527534472.db2.gz	XKRCRGNKNGLQLI-MDZDMXLPSA-N	0	0	442.346	5.220	50	30		IKEARN
Cc1nn(-c2cccc(Cl)c2)c2c1[C@@H](c1ccc(C(C)(C)C)cc1)C1=C(CCCC1=O)N2	ZINC000014361079	527534540	/nfs/dbraw/zinc/53/45/40/527534540.db2.gz	JPRAHKPNPIIFKS-XMMPIXPASA-N	0	0	445.994	6.696	50	30		IKEARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C/c1c(C)nn(-c2ccccc2)c1Cl	ZINC000009272655	527547098	/nfs/dbraw/zinc/54/70/98/527547098.db2.gz	YDWVGSNUCAPGQA-BKHCZYBLSA-N	0	0	437.334	5.435	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000013569346	527553369	/nfs/dbraw/zinc/55/33/69/527553369.db2.gz	NJBKABMZUCSEPZ-FNZWTVRRSA-N	0	0	448.526	5.240	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018199731	527553730	/nfs/dbraw/zinc/55/37/30/527553730.db2.gz	BSZSZVHMRDROBO-UUOWRZLLSA-N	0	0	438.556	5.595	50	30		IKEARN
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012589282	527571854	/nfs/dbraw/zinc/57/18/54/527571854.db2.gz	GIVACYCDGIYMJO-KSFYIVLOSA-N	0	0	444.604	6.299	50	30		IKEARN
O=C(NC(NCC12CC3CC(CC(C3)C1)C2)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000020518331	527585568	/nfs/dbraw/zinc/58/55/68/527585568.db2.gz	TUMYISPZWGMTNZ-UHFFFAOYSA-N	0	0	434.424	5.618	50	30		IKEARN
O=C(/C(=C/c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1	ZINC000050647519	527591211	/nfs/dbraw/zinc/59/12/11/527591211.db2.gz	FJJQMFYEXUTOTN-UYRXBGFRSA-N	0	0	429.426	6.069	50	30		IKEARN
O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2[nH]1)c1cccc(Cl)c1	ZINC000012564291	527591673	/nfs/dbraw/zinc/59/16/73/527591673.db2.gz	XPVLVQSVOHDDCB-CJLVFECKSA-N	0	0	443.934	5.476	50	30		IKEARN
O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(Br)cc1	ZINC000027474055	527594571	/nfs/dbraw/zinc/59/45/71/527594571.db2.gz	SHRIWFBMSXEZQC-TVXVBNPNSA-N	0	0	431.333	6.196	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2c(c1)-c1ccccc1C2	ZINC000012538388	527603300	/nfs/dbraw/zinc/60/33/00/527603300.db2.gz	HUUWKIOXJICOLP-DHZHZOJOSA-N	0	0	431.318	7.721	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000012284814	527605285	/nfs/dbraw/zinc/60/52/85/527605285.db2.gz	BJUUPEVIZOSNSR-CSKARUKUSA-N	0	0	430.372	5.919	50	30		IKEARN
O=C(/C=C/c1ccc(COc2c(F)c(F)cc(F)c2F)o1)c1ccc(-n2ccnc2)cc1	ZINC000013640483	527606547	/nfs/dbraw/zinc/60/65/47/527606547.db2.gz	ALFIDNJDZJZYFH-BQYQJAHWSA-N	0	0	442.368	5.497	50	30		IKEARN
O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000035363356	527617594	/nfs/dbraw/zinc/61/75/94/527617594.db2.gz	YNYGOQGWNKVQHV-XLUWADSXSA-N	0	0	442.786	5.984	50	30		IKEARN
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc2c(c1)-c1ccccc1C2	ZINC000012539943	527626243	/nfs/dbraw/zinc/62/62/43/527626243.db2.gz	MIGABVYRIIRCFF-NTCAYCPXSA-N	0	0	449.937	7.060	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1C	ZINC000032972637	527628805	/nfs/dbraw/zinc/62/88/05/527628805.db2.gz	PLBQETDRLULEMA-UHFFFAOYSA-N	0	0	444.366	5.050	50	30		IKEARN
ON=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1	ZINC000012338550	527643471	/nfs/dbraw/zinc/64/34/71/527643471.db2.gz	JTIYWEIIRXVOII-UHFFFAOYSA-N	0	0	447.217	5.926	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000033423805	527646007	/nfs/dbraw/zinc/64/60/07/527646007.db2.gz	MRZUPLUCUZMNJK-XNTDXEJSSA-N	0	0	447.307	6.337	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccc(F)cc1	ZINC000012574261	527646221	/nfs/dbraw/zinc/64/62/21/527646221.db2.gz	JQBLNSVBPHSPCQ-XNTDXEJSSA-N	0	0	447.307	6.337	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c3c(cccc31)CC2)c1ccccc1	ZINC000012558421	527646299	/nfs/dbraw/zinc/64/62/99/527646299.db2.gz	YBTXXDIWDHQRHT-HTXNQAPBSA-N	0	0	426.519	6.687	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1	ZINC000012562938	527646333	/nfs/dbraw/zinc/64/63/33/527646333.db2.gz	FDBMPPWRQYUEAE-JLHYYAGUSA-N	0	0	430.305	5.593	50	30		IKEARN
O=C(/C=C\c1ccc(OC(F)F)cc1)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F	ZINC000102443895	527654822	/nfs/dbraw/zinc/65/48/22/527654822.db2.gz	MZMAPWJHFMTTRP-UTCJRWHESA-N	0	0	429.238	5.515	50	30		IKEARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1ccc(Br)cc1	ZINC000015836533	527660313	/nfs/dbraw/zinc/66/03/13/527660313.db2.gz	MRZUPLUCUZMNJK-GDNBJRDFSA-N	0	0	447.307	6.337	50	30		IKEARN
FC(F)(F)C(=NC1(C(Cl)(Cl)Cl)Oc2ccccc2O1)Nc1ccccc1	ZINC000022553836	527661940	/nfs/dbraw/zinc/66/19/40/527661940.db2.gz	RGAIDNFDXHXWBL-UHFFFAOYSA-N	0	0	425.621	5.555	50	30		IKEARN
O=C(NC=NOCc1ccc(Cl)cc1Cl)NOCc1c(Cl)cccc1Cl	ZINC000018101720	527662394	/nfs/dbraw/zinc/66/23/94/527662394.db2.gz	XMFZRFUHINORMI-UHFFFAOYSA-N	0	0	437.110	5.191	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C1CCCCC1	ZINC000102320255	527668268	/nfs/dbraw/zinc/66/82/68/527668268.db2.gz	CULXSTLNPHOSFZ-WUZNOGLBSA-N	0	0	434.539	6.010	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccco1	ZINC000100487590	527668326	/nfs/dbraw/zinc/66/83/26/527668326.db2.gz	XVNQCDWPODPSOG-LWDYBMGMSA-N	0	0	432.479	5.317	50	30		IKEARN
FC(F)(F)Oc1ccc(-n2cccc2CN=Nc2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000012369338	527674989	/nfs/dbraw/zinc/67/49/89/527674989.db2.gz	BQSAHQXKFMHFDM-YPXUMCKCSA-N	0	0	448.754	5.889	50	30		IKEARN
FC(F)(F)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1	ZINC000095742559	527679496	/nfs/dbraw/zinc/67/94/96/527679496.db2.gz	IQHJEYAGPZJROH-UHFFFAOYSA-N	0	0	426.200	7.429	50	30		IKEARN
FC(F)(F)c1cccc(CNc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1	ZINC000095691585	527684868	/nfs/dbraw/zinc/68/48/68/527684868.db2.gz	VISDITFGIKJSHQ-UHFFFAOYSA-N	0	0	439.281	6.298	50	30		IKEARN
FC(F)(F)c1cnc(C(=NNc2ccccc2)c2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000008762800	527688295	/nfs/dbraw/zinc/68/82/95/527688295.db2.gz	RWSNZPOZOSGWPK-OGLMXYFKSA-N	0	0	444.671	6.925	50	30		IKEARN
CC1(C)[C@H](C(=O)O[C@H](C#N)c2ccc(F)c(Oc3ccccc3)c2)[C@H]1C=C(Cl)Cl	ZINC000000607796	555510784	/nfs/dbraw/zinc/51/07/84/555510784.db2.gz	QQODLKZGRKWIFG-ZTNFWEORSA-N	0	0	434.294	6.317	50	30	in-man	IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000628588	555513709	/nfs/dbraw/zinc/51/37/09/555513709.db2.gz	HOEJGLKPFPMWHM-JOCHJYFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(Cl)c2)cc1	ZINC000000630723	555514648	/nfs/dbraw/zinc/51/46/48/555514648.db2.gz	HEGVWABNIAPBMT-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000000662415	555527413	/nfs/dbraw/zinc/52/74/13/555527413.db2.gz	GDAYKPCAGLNMJO-HHHXNRCGSA-N	0	0	437.543	5.569	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000666754	555528945	/nfs/dbraw/zinc/52/89/45/555528945.db2.gz	PPJAPMPUIWUORI-CPJSRVTESA-N	0	0	449.978	5.901	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000669787	555530121	/nfs/dbraw/zinc/53/01/21/555530121.db2.gz	TYJRQKLPFPQHDD-XMMPIXPASA-N	0	0	429.476	6.077	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000000672274	555531951	/nfs/dbraw/zinc/53/19/51/555531951.db2.gz	LOHBBIJNKKFBPB-WINIVTDRSA-N	0	0	427.548	6.105	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674139	555532757	/nfs/dbraw/zinc/53/27/57/555532757.db2.gz	MDSSCXDGYAOCPG-NSYGIPOTSA-N	0	0	443.459	5.108	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1	ZINC000000678593	555536112	/nfs/dbraw/zinc/53/61/12/555536112.db2.gz	HTMLOCJJKALHQD-IVCQMTBJSA-N	0	0	430.529	5.765	50	30		IKEARN
CCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1	ZINC000000688884	555541369	/nfs/dbraw/zinc/54/13/69/555541369.db2.gz	LKOYHHDDYIPSGE-VWLOTQADSA-N	0	0	432.564	5.884	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2	ZINC000000709468	555546484	/nfs/dbraw/zinc/54/64/84/555546484.db2.gz	HBJPZHCWYVMFSK-LMKMVOKYSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2	ZINC000000709509	555546540	/nfs/dbraw/zinc/54/65/40/555546540.db2.gz	ASSBIDWZDQGTAA-NSYGIPOTSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2	ZINC000000709463	555546564	/nfs/dbraw/zinc/54/65/64/555546564.db2.gz	KFDGLDPNDVLWLR-PUAOIOHZSA-N	0	0	445.906	6.228	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC	ZINC000000709633	555546569	/nfs/dbraw/zinc/54/65/69/555546569.db2.gz	SQPJLGCMLIETMA-WGDIFIGCSA-N	0	0	446.572	6.053	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000000709777	555546804	/nfs/dbraw/zinc/54/68/04/555546804.db2.gz	KKFOCULDYZFJPV-MYUZEXMDSA-N	0	0	434.495	5.773	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC	ZINC000000709947	555546837	/nfs/dbraw/zinc/54/68/37/555546837.db2.gz	HILUGRDIMXMNKP-IVCQMTBJSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1OC	ZINC000000709949	555546876	/nfs/dbraw/zinc/54/68/76/555546876.db2.gz	HILUGRDIMXMNKP-LMKMVOKYSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC	ZINC000000709642	555546889	/nfs/dbraw/zinc/54/68/89/555546889.db2.gz	MTEXHNHGKQLPMQ-MYUZEXMDSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O	ZINC000000710625	555547045	/nfs/dbraw/zinc/54/70/45/555547045.db2.gz	FDVXNNIFAZBQQL-WGDIFIGCSA-N	0	0	442.515	5.389	50	30		IKEARN
O=c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)oc2ccccc12	ZINC000000711585	555547470	/nfs/dbraw/zinc/54/74/70/555547470.db2.gz	KBXAJVANAVAWLX-HAWMADMCSA-N	0	0	440.524	5.834	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000720200	555549657	/nfs/dbraw/zinc/54/96/57/555549657.db2.gz	WVEJDHWOZRMKDJ-QFIPXVFZSA-N	0	0	426.944	5.893	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12	ZINC000000720843	555549925	/nfs/dbraw/zinc/54/99/25/555549925.db2.gz	HDMIDZMGSQUFQA-SONOPUAISA-N	0	0	446.506	6.031	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Cl)cc2Cl)C1	ZINC000000723971	555550815	/nfs/dbraw/zinc/55/08/15/555550815.db2.gz	RPEXZPCNTZUVJG-HXUWFJFHSA-N	0	0	439.346	5.910	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc(OC)c1O	ZINC000000729456	555552556	/nfs/dbraw/zinc/55/25/56/555552556.db2.gz	GNKHAOYTTTZSRO-LFPIHBKWSA-N	0	0	448.544	5.450	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cc2c(cc1Br)OCO2	ZINC000000756485	555554166	/nfs/dbraw/zinc/55/41/66/555554166.db2.gz	LBXRTSABDOEHLK-OAQYLSRUSA-N	0	0	441.325	5.400	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1cccs1	ZINC000000781598	555555269	/nfs/dbraw/zinc/55/52/69/555555269.db2.gz	CPBIHIHWHZSILW-VOIUYBSRSA-N	0	0	437.561	5.070	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781195	555555279	/nfs/dbraw/zinc/55/52/79/555555279.db2.gz	ITXHUVWRPATFIF-QRQCRPRQSA-N	0	0	425.525	5.200	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1O	ZINC000000795659	555557934	/nfs/dbraw/zinc/55/79/34/555557934.db2.gz	TUOCHJKUFIMDRA-SANMLTNESA-N	0	0	440.499	5.218	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(-c2cccc(Cl)c2)o1	ZINC000000797810	555558727	/nfs/dbraw/zinc/55/87/27/555558727.db2.gz	GHXRYOQNKCPDCB-NRFANRHFSA-N	0	0	431.875	5.341	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)c1	ZINC000000805508	555560012	/nfs/dbraw/zinc/56/00/12/555560012.db2.gz	BFLSOFSVIURLKS-MMTVBGGISA-N	0	0	440.543	6.073	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000811225	555560519	/nfs/dbraw/zinc/56/05/19/555560519.db2.gz	ZYVPCBFLZWXWBQ-RLWLMLJZSA-N	0	0	444.575	5.066	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000000812844	555560854	/nfs/dbraw/zinc/56/08/54/555560854.db2.gz	WDIGNQZYAIJBOV-XRHLQHRESA-N	0	0	444.506	5.822	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O	ZINC000000812931	555561218	/nfs/dbraw/zinc/56/12/18/555561218.db2.gz	OSQNVTKXOKFBHH-PUAOIOHZSA-N	0	0	446.934	6.034	50	30	in-vitro	IKEARN
CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000000815811	555562051	/nfs/dbraw/zinc/56/20/51/555562051.db2.gz	TZUWKRAYJMAJJN-SSOJOUAXSA-N	0	0	430.529	5.653	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)o1	ZINC000000821074	555563817	/nfs/dbraw/zinc/56/38/17/555563817.db2.gz	BMNWLYWOLFZPFA-NFQMXDRXSA-N	0	0	445.559	5.826	50	30		IKEARN
COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Br)c1OCc1ccccc1	ZINC000000827332	555565407	/nfs/dbraw/zinc/56/54/07/555565407.db2.gz	HYQAPMKZNUWBAS-BRJLIKDPSA-N	0	0	439.309	5.869	50	30		IKEARN
COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCC(=O)Nc1ccccc1	ZINC000000832786	555566657	/nfs/dbraw/zinc/56/66/57/555566657.db2.gz	FDFIYZCFKGQPDP-JFLMPSFJSA-N	0	0	445.544	5.275	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000844371	555568685	/nfs/dbraw/zinc/56/86/85/555568685.db2.gz	AAZBNMRMPZSCQJ-VWLOTQADSA-N	0	0	429.560	5.385	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(SC)cc2)cc1	ZINC000000856554	555571427	/nfs/dbraw/zinc/57/14/27/555571427.db2.gz	LZWMCIHUFKFIJD-XHCCPWGMSA-N	0	0	442.584	6.397	50	30		IKEARN
CCOc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O	ZINC000000857615	555571622	/nfs/dbraw/zinc/57/16/22/555571622.db2.gz	SNUMIEZPTBRLEA-RUZDIDTESA-N	0	0	434.536	5.344	50	30		IKEARN
COc1ccc(Br)cc1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2	ZINC000000861340	555572356	/nfs/dbraw/zinc/57/23/56/555572356.db2.gz	ZKGXJKIIAPUVFS-OAQYLSRUSA-N	0	0	427.342	5.680	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000000861346	555572384	/nfs/dbraw/zinc/57/23/84/555572384.db2.gz	IXPGNTPEPUTNDM-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000000861121	555572391	/nfs/dbraw/zinc/57/23/91/555572391.db2.gz	FLWSURSIFHMWID-MRDQGFSESA-N	0	0	441.487	5.583	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000861072	555572406	/nfs/dbraw/zinc/57/24/06/555572406.db2.gz	YROSDODVBIPNCI-FNZWTVRRSA-N	0	0	445.534	5.673	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000861069	555572409	/nfs/dbraw/zinc/57/24/09/555572409.db2.gz	YROSDODVBIPNCI-FQRUVTKNSA-N	0	0	445.534	5.673	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1	ZINC000000883132	555578109	/nfs/dbraw/zinc/57/81/09/555578109.db2.gz	LBODXLCIFUOJRU-YHAMSUFESA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2C)cc1OC	ZINC000000883388	555578372	/nfs/dbraw/zinc/57/83/72/555578372.db2.gz	BXJTUGWLCUHXTK-WHLCRQNOSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc(Br)cc1[C@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2	ZINC000000885412	555578826	/nfs/dbraw/zinc/57/88/26/555578826.db2.gz	IOJWAUVDOMDKPJ-HSZRJFAPSA-N	0	0	435.321	5.679	50	30		IKEARN
COc1cccc([C@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000000893675	555579996	/nfs/dbraw/zinc/57/99/96/555579996.db2.gz	IQINLGKEWVTTPJ-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CCCC2=O)N1	ZINC000000909360	555582244	/nfs/dbraw/zinc/58/22/44/555582244.db2.gz	XEWNTSPCWZVDPT-NRFANRHFSA-N	0	0	433.470	5.549	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1	ZINC000000986588	555594995	/nfs/dbraw/zinc/59/49/95/555594995.db2.gz	ZTASUGYKTPNPGU-SIBVEZHUSA-N	0	0	442.584	6.305	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)S/C1=N\c1ccc(C)c(Cl)c1	ZINC000000992443	555596898	/nfs/dbraw/zinc/59/68/98/555596898.db2.gz	KTPDPPXJUVXQGD-KHUIZHDGSA-N	0	0	441.984	5.412	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C	ZINC000000992347	555596935	/nfs/dbraw/zinc/59/69/35/555596935.db2.gz	TVEUZCVLQJDPAK-VGTHCDORSA-N	0	0	435.593	5.573	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2C(F)(F)F)c1	ZINC000001010064	555601653	/nfs/dbraw/zinc/60/16/53/555601653.db2.gz	NBXXVQZRWGQZNE-NRFANRHFSA-N	0	0	441.453	5.015	50	30		IKEARN
CC(=O)Nc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Br)cc3)cc2)cc1	ZINC000001021102	555603632	/nfs/dbraw/zinc/60/36/32/555603632.db2.gz	JKAHSOXJGAFGCN-ZVHZXABRSA-N	0	0	437.293	5.377	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc3c(c2)OCO3)nc2c(c1-c1cccs1)CCCC2	ZINC000001026136	555604420	/nfs/dbraw/zinc/60/44/20/555604420.db2.gz	PRUNQBVAAQICCY-UHFFFAOYSA-N	0	0	434.542	5.264	50	30		IKEARN
COc1cc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)ccc1O	ZINC000001035426	555607780	/nfs/dbraw/zinc/60/77/80/555607780.db2.gz	AGPRFILCGZLNLP-QHCPKHFHSA-N	0	0	429.520	5.096	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2	ZINC000001041021	555609923	/nfs/dbraw/zinc/60/99/23/555609923.db2.gz	BCPIAOICEJLSCK-RUZDIDTESA-N	0	0	426.564	5.556	50	30		IKEARN
CCOC(=O)[C@@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000001046307	555610796	/nfs/dbraw/zinc/61/07/96/555610796.db2.gz	VOBNOMJLKJIYCY-UPVQGACJSA-N	0	0	438.445	6.178	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1	ZINC000001066838	555618742	/nfs/dbraw/zinc/61/87/42/555618742.db2.gz	SEFUVLYZRQMWHS-IVZQSRNASA-N	0	0	427.953	5.326	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccs1	ZINC000001066828	555618774	/nfs/dbraw/zinc/61/87/74/555618774.db2.gz	SEFUVLYZRQMWHS-NYHFZMIOSA-N	0	0	427.953	5.326	50	30		IKEARN
CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1C#N	ZINC000001097086	555628013	/nfs/dbraw/zinc/62/80/13/555628013.db2.gz	GSTVBPWOPYZSMG-VUTHCHCSSA-N	0	0	441.531	5.123	50	30		IKEARN
O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)N1CCc2ccccc21	ZINC000001097887	555628060	/nfs/dbraw/zinc/62/80/60/555628060.db2.gz	MHCNBNAVEQKDDR-YZSQISJMSA-N	0	0	428.513	5.047	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107160	555629627	/nfs/dbraw/zinc/62/96/27/555629627.db2.gz	RFRLKHBOFUCJLI-CRICUBBOSA-N	0	0	445.906	6.228	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001120531	555637291	/nfs/dbraw/zinc/63/72/91/555637291.db2.gz	COVPLLUFWZDQIK-GMAHTHKFSA-N	0	0	433.548	5.050	50	30		IKEARN
NC1=C(C(=O)c2ccccc2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1	ZINC000001126440	555641082	/nfs/dbraw/zinc/64/10/82/555641082.db2.gz	DEYAMEJWYONLPR-QHCPKHFHSA-N	0	0	426.541	5.412	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000001130361	555643880	/nfs/dbraw/zinc/64/38/80/555643880.db2.gz	KUGQVAHDEZEQDF-ACSYHNTCSA-N	0	0	448.591	7.024	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000001130367	555643954	/nfs/dbraw/zinc/64/39/54/555643954.db2.gz	KUGQVAHDEZEQDF-AFJIDDCJSA-N	0	0	448.591	7.024	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000001132873	555645680	/nfs/dbraw/zinc/64/56/80/555645680.db2.gz	QHBICNYMJNTCBC-RBZFPXEDSA-N	0	0	432.303	5.121	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1	ZINC000001132844	555645724	/nfs/dbraw/zinc/64/57/24/555645724.db2.gz	OAGBZAFLRCGTBD-VFNWGFHPSA-N	0	0	445.437	5.223	50	30		IKEARN
Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000001145717	555653287	/nfs/dbraw/zinc/65/32/87/555653287.db2.gz	YYOIKJDQMGWVTK-LUOAPIJWSA-N	0	0	440.334	5.454	50	30		IKEARN
Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5ccco5)CC4=O)cc3)sc2c1	ZINC000001148616	555654923	/nfs/dbraw/zinc/65/49/23/555654923.db2.gz	PAMZHOATHAPULR-UHFFFAOYSA-N	0	0	428.513	5.876	50	30		IKEARN
Cc1ccc2nc(-c3ccc(NC=C4C(=O)CC(c5cccs5)CC4=O)cc3)sc2c1	ZINC000001148706	555655302	/nfs/dbraw/zinc/65/53/02/555655302.db2.gz	WDWCGQUTDGNYAW-UHFFFAOYSA-N	0	0	444.581	6.345	50	30		IKEARN
CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2cccc(F)c2)C2=C1CCCC2=O	ZINC000001158350	555660181	/nfs/dbraw/zinc/66/01/81/555660181.db2.gz	IXHRQLNJTPUJLS-UHFFFAOYSA-N	0	0	445.534	5.838	50	30		IKEARN
Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1	ZINC000001168294	555665290	/nfs/dbraw/zinc/66/52/90/555665290.db2.gz	QKMJRMXNJBXEJF-HSZRJFAPSA-N	0	0	436.502	5.516	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1	ZINC000001169241	555665631	/nfs/dbraw/zinc/66/56/31/555665631.db2.gz	OKUJJDNMJVPNGC-JOCHJYFZSA-N	0	0	425.326	5.366	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1	ZINC000001169242	555665941	/nfs/dbraw/zinc/66/59/41/555665941.db2.gz	OKUJJDNMJVPNGC-QFIPXVFZSA-N	0	0	425.326	5.366	50	30		IKEARN
O=C1C[C@H](c2ccccc2Cl)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000001170841	555666420	/nfs/dbraw/zinc/66/64/20/555666420.db2.gz	BVOIPXPHYXLSCY-DXPJPUQTSA-N	0	0	444.918	6.048	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000001174863	555669217	/nfs/dbraw/zinc/66/92/17/555669217.db2.gz	VJZJITIIANLCTI-HXUWFJFHSA-N	0	0	428.504	5.269	50	30		IKEARN
O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(Br)cc1	ZINC000001191439	555675822	/nfs/dbraw/zinc/67/58/22/555675822.db2.gz	GDSCIDHNTHTSNE-OAQYLSRUSA-N	0	0	449.373	5.262	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001198566	555677670	/nfs/dbraw/zinc/67/76/70/555677670.db2.gz	XPTURDIPIQPZTM-HSZRJFAPSA-N	0	0	433.508	5.394	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	ZINC000001199306	555677903	/nfs/dbraw/zinc/67/79/03/555677903.db2.gz	MMIJTDNGKZNQHE-XHCCPWGMSA-N	0	0	442.946	6.261	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl	ZINC000001201884	555678748	/nfs/dbraw/zinc/67/87/48/555678748.db2.gz	NICAULMNTWUNIH-QRQCRPRQSA-N	0	0	442.342	5.528	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000001202689	555679076	/nfs/dbraw/zinc/67/90/76/555679076.db2.gz	LGJDTSPXJNLJLU-KSFYIVLOSA-N	0	0	442.342	5.528	50	30		IKEARN
CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1	ZINC000001213582	555683042	/nfs/dbraw/zinc/68/30/42/555683042.db2.gz	INMBJBTYRUWKEK-PFBJBMPXSA-N	0	0	445.522	5.370	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2Br)C2=C(CCCC2=O)N1	ZINC000001213397	555683080	/nfs/dbraw/zinc/68/30/80/555683080.db2.gz	GMUGSLOUSBOHRG-NRFANRHFSA-N	0	0	444.369	5.293	50	30		IKEARN
Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000001216816	555684210	/nfs/dbraw/zinc/68/42/10/555684210.db2.gz	XLAHUQIIMZNDHU-AFMDSPMNSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC	ZINC000001217622	555684489	/nfs/dbraw/zinc/68/44/89/555684489.db2.gz	VGEDZCPHLUUQHL-WTYVLRPYSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)cc2)cc1OC	ZINC000001217621	555684493	/nfs/dbraw/zinc/68/44/93/555684493.db2.gz	VGEDZCPHLUUQHL-MMTVBGGISA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)cc2)cc1OC	ZINC000001217620	555684494	/nfs/dbraw/zinc/68/44/94/555684494.db2.gz	VGEDZCPHLUUQHL-PIIWDFAUSA-N	0	0	440.543	5.992	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cccc3ccccc32)C2=C(CCCC2=O)N1	ZINC000001220246	555685727	/nfs/dbraw/zinc/68/57/27/555685727.db2.gz	YLQHGMDPTJHSMS-MHZLTWQESA-N	0	0	437.539	5.594	50	30		IKEARN
COc1cc(OC)c([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000001264572	555688397	/nfs/dbraw/zinc/68/83/97/555688397.db2.gz	YPADTQSWVQUGSH-RUZDIDTESA-N	0	0	436.552	5.551	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@@H](c3ccc(F)cc3)C12	ZINC000001283532	555688976	/nfs/dbraw/zinc/68/89/76/555688976.db2.gz	FIEVFKJHBBKHDW-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
CC1=Nc2ccccc2NC(=NC(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Cl)cc1	ZINC000001316415	555689687	/nfs/dbraw/zinc/68/96/87/555689687.db2.gz	FJOTZLTVHBWUEO-OAQYLSRUSA-N	0	0	432.867	5.789	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1	ZINC000001409135	555694029	/nfs/dbraw/zinc/69/40/29/555694029.db2.gz	JQTIPGOKXZTPEI-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1	ZINC000001413010	555694739	/nfs/dbraw/zinc/69/47/39/555694739.db2.gz	MJCMKTPAJJWGSN-QYBDOPJKSA-N	0	0	428.601	7.025	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)c1	ZINC000001434742	555696519	/nfs/dbraw/zinc/69/65/19/555696519.db2.gz	CAMUSSBJXLSYGW-HFJWLAOPSA-N	0	0	441.487	5.583	50	30		IKEARN
COC(=O)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001434756	555696846	/nfs/dbraw/zinc/69/68/46/555696846.db2.gz	XEOFLJWHOWJEGJ-IDISGSTGSA-N	0	0	438.527	5.761	50	30		IKEARN
CCOC(=O)c1c(NC2=CC(=O)C[C@@H](c3ccc(OC)cc3)C2)sc2c1CCCC2	ZINC000001444535	555698438	/nfs/dbraw/zinc/69/84/38/555698438.db2.gz	PEKCAGZINQHBCG-INIZCTEOSA-N	0	0	425.550	5.255	50	30		IKEARN
COc1cccc(-c2nc3cc(/N=C/c4cc(C)cc(Br)c4O)ccc3o2)c1	ZINC000001444751	555698467	/nfs/dbraw/zinc/69/84/67/555698467.db2.gz	UGNFDYDGQHGOKA-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001445385	555698676	/nfs/dbraw/zinc/69/86/76/555698676.db2.gz	QDJOTKIJRDKOTD-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccccc1)CC(=O)N2c1nnc(SCc2ccccc2)s1	ZINC000001446023	555698996	/nfs/dbraw/zinc/69/89/96/555698996.db2.gz	NYAUVVODFAMQDT-GOSISDBHSA-N	0	0	447.585	5.358	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=N/N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21	ZINC000001580331	555704188	/nfs/dbraw/zinc/70/41/88/555704188.db2.gz	KCJZDFJMCCVCNA-GKTLAHRSSA-N	0	0	442.566	7.395	50	30		IKEARN
CCCCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)cc1	ZINC000002022921	555727594	/nfs/dbraw/zinc/72/75/94/555727594.db2.gz	SAFXDBOAWDVEGJ-UHFFFAOYSA-N	0	0	441.527	6.510	50	30	biogenic	IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1C(F)(F)F	ZINC000002055267	555730292	/nfs/dbraw/zinc/73/02/92/555730292.db2.gz	AYGHXYLBSIVJOB-NRFANRHFSA-N	0	0	449.513	6.043	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCC)c(OC)c1	ZINC000002055151	555730334	/nfs/dbraw/zinc/73/03/34/555730334.db2.gz	XUSXREMOXJOAHW-DEOSSOPVSA-N	0	0	441.568	5.185	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000002055225	555730360	/nfs/dbraw/zinc/73/03/60/555730360.db2.gz	LXLRCOUHSWCKQG-JOCHJYFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCCCCCOC(=O)CN1C(=O)c2c(c(Cl)c(Cl)c(Cl)c2Cl)C1=O	ZINC000002062905	555732515	/nfs/dbraw/zinc/73/25/15/555732515.db2.gz	GERYNCYRCGOMNL-UHFFFAOYSA-N	0	0	441.138	5.410	50	30		IKEARN
CCCCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000002063478	555732826	/nfs/dbraw/zinc/73/28/26/555732826.db2.gz	DIROGGFVUDXQJR-NDEPHWFRSA-N	0	0	425.572	7.328	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000002063029	555732838	/nfs/dbraw/zinc/73/28/38/555732838.db2.gz	OPKVJJOYHAOZBQ-SSEXGKCCSA-N	0	0	445.562	7.942	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000002063820	555733098	/nfs/dbraw/zinc/73/30/98/555733098.db2.gz	OCINQIBDNMBAJJ-LJAQVGFWSA-N	0	0	430.551	7.211	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000002066167	555733385	/nfs/dbraw/zinc/73/33/85/555733385.db2.gz	BGXNTKHLBHZYLC-FQEVSTJZSA-N	0	0	436.379	5.941	50	30		IKEARN
CC(C)(C)c1cc(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1	ZINC000002066496	555733712	/nfs/dbraw/zinc/73/37/12/555733712.db2.gz	WZZZRMIDDQGNHY-OCSSWDANSA-N	0	0	437.668	8.038	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002069367	555734302	/nfs/dbraw/zinc/73/43/02/555734302.db2.gz	CDOAWUQVYHTJJX-QFIPXVFZSA-N	0	0	427.972	5.820	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(Cl)cc1	ZINC000002073018	555735146	/nfs/dbraw/zinc/73/51/46/555735146.db2.gz	NEUHYIQTLUDKOE-ZHRRBRCNSA-N	0	0	441.980	5.716	50	30		IKEARN
CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1	ZINC000002079029	555736651	/nfs/dbraw/zinc/73/66/51/555736651.db2.gz	WYDDLYAVIBBEBW-UHFFFAOYSA-N	0	0	440.971	6.067	50	30		IKEARN
O=C(Nc1ccc(/N=C/C=C/c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	ZINC000002091567	555741123	/nfs/dbraw/zinc/74/11/23/555741123.db2.gz	RKVOIYPIDGWDSG-PICHSDEKSA-N	0	0	429.734	7.315	50	30		IKEARN
COc1ccc(/C=N/OC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1	ZINC000002098009	555742390	/nfs/dbraw/zinc/74/23/90/555742390.db2.gz	VFOVBPHKDBAUBH-VULFUBBASA-N	0	0	427.859	5.187	50	30		IKEARN
C=CCc1cc(/C=C2/S/C(=N\c3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O	ZINC000002155962	555750279	/nfs/dbraw/zinc/75/02/79/555750279.db2.gz	DOXZLRUSQVIDQR-YBFXNURJSA-N	0	0	428.941	5.373	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC	ZINC000002161855	555750949	/nfs/dbraw/zinc/75/09/49/555750949.db2.gz	UDGAXPRWOLJBBQ-UNOMPAQXSA-N	0	0	447.915	5.679	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)N(C)C2=O)cc1OC	ZINC000002168266	555751422	/nfs/dbraw/zinc/75/14/22/555751422.db2.gz	QLXKSMIXXCMNAE-DMDNQVQLSA-N	0	0	442.968	5.764	50	30		IKEARN
COc1cc(C)c(/C=C2/S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C	ZINC000002186225	555755205	/nfs/dbraw/zinc/75/52/05/555755205.db2.gz	QEKANXFTDOFSFP-YCJCGMCGSA-N	0	0	434.605	6.674	50	30		IKEARN
COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1	ZINC000002184907	555755226	/nfs/dbraw/zinc/75/52/26/555755226.db2.gz	NIVJVGWEIQFBNK-HZHRSRAPSA-N	0	0	430.529	5.474	50	30		IKEARN
CCCCNC(=O)CSc1nc2ccc(/N=C/c3c(O)ccc4ccccc43)cc2s1	ZINC000002188048	555755872	/nfs/dbraw/zinc/75/58/72/555755872.db2.gz	HJSUGTMSMSAVIU-VULFUBBASA-N	0	0	449.601	5.914	50	30		IKEARN
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Oc2ccccc2)c1	ZINC000002190441	555756271	/nfs/dbraw/zinc/75/62/71/555756271.db2.gz	SAPYUMSWCLGZQY-VWLOTQADSA-N	0	0	447.531	5.027	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(Cc4ccccc4)cc3)C12	ZINC000002205724	555757778	/nfs/dbraw/zinc/75/77/78/555757778.db2.gz	XKKXPGMMSLTORG-GDLZYMKVSA-N	0	0	431.560	7.144	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1	ZINC000002280401	555765287	/nfs/dbraw/zinc/76/52/87/555765287.db2.gz	WDDKZGKEVYQYHL-ZMOGYAJESA-N	0	0	441.343	6.215	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1	ZINC000002296713	555766185	/nfs/dbraw/zinc/76/61/85/555766185.db2.gz	GUZYPJMBECRBKG-HSZRJFAPSA-N	0	0	425.569	5.423	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(CCc4ccccc4)cc3)C12	ZINC000002348120	555770858	/nfs/dbraw/zinc/77/08/58/555770858.db2.gz	BIBKQYYOUMZJDV-PMERELPUSA-N	0	0	445.587	7.338	50	30		IKEARN
CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H]2CO2)c2ccccc12	ZINC000002442670	555779668	/nfs/dbraw/zinc/77/96/68/555779668.db2.gz	FBNOVRADKNFNTI-DEOSSOPVSA-N	0	0	439.555	6.426	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1	ZINC000002452347	555782061	/nfs/dbraw/zinc/78/20/61/555782061.db2.gz	MGHOXOZVJZEQJO-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
CCCCc1c(CCCC)c(-c2ccc(/C=N/O)s2)sc1-c1ccc(/C=N/O)s1	ZINC000002518941	555785503	/nfs/dbraw/zinc/78/55/03/555785503.db2.gz	BODIXFLCTGIJKP-RNIAWFEPSA-N	0	0	446.663	7.507	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)Nc2ccccc2)cc1	ZINC000002542852	555786713	/nfs/dbraw/zinc/78/67/13/555786713.db2.gz	PMZREBIGXYJPPZ-WPWMEQJKSA-N	0	0	439.540	5.688	50	30		IKEARN
COc1cc(/C=N/NC(=S)Nc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1	ZINC000002543732	555786946	/nfs/dbraw/zinc/78/69/46/555786946.db2.gz	CRUWHEOHYLWAPL-AFUMVMLFSA-N	0	0	439.968	5.557	50	30		IKEARN
COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@H](C#N)c2ccccc2)c(Cl)c1	ZINC000002549055	555786991	/nfs/dbraw/zinc/78/69/91/555786991.db2.gz	RZWAHTGGSSNXIY-IZZNHLLZSA-N	0	0	439.942	7.166	50	30		IKEARN
CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccc(Cl)cc2)C1	ZINC000002570718	555787847	/nfs/dbraw/zinc/78/78/47/555787847.db2.gz	HCGGXWLPAVGAIW-UHFFFAOYSA-N	0	0	431.897	5.798	50	30		IKEARN
COc1ccc(/C=N/c2ccc(CCc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1	ZINC000002584253	555788936	/nfs/dbraw/zinc/78/89/36/555788936.db2.gz	FOSOJOKQJFZOKV-RWRHWQIFSA-N	0	0	448.566	6.990	50	30		IKEARN
C=CCNC(=O)[C@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2	ZINC000034667495	555791732	/nfs/dbraw/zinc/79/17/32/555791732.db2.gz	YPWTUUKWFBFQLO-DCFHFQCYSA-N	0	0	444.550	5.043	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC=CCc4ccccc4OC)c3c2C1	ZINC000002686994	555798789	/nfs/dbraw/zinc/79/87/89/555798789.db2.gz	OQMKVRXONMWMOV-YREGJCEZSA-N	0	0	434.609	6.352	50	30		IKEARN
O=C(Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)c1cccc(OC(F)(F)C(F)F)c1	ZINC000002753298	555810972	/nfs/dbraw/zinc/81/09/72/555810972.db2.gz	YFBXEYOMDIIDBL-UHFFFAOYSA-N	0	0	449.278	5.301	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(F)cc1	ZINC000002762199	555813156	/nfs/dbraw/zinc/81/31/56/555813156.db2.gz	SXMZLGGLKKFOMY-ZHRRBRCNSA-N	0	0	425.525	5.202	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002772130	555816042	/nfs/dbraw/zinc/81/60/42/555816042.db2.gz	VWUKHNZLIVHJRM-HSZRJFAPSA-N	0	0	425.544	5.696	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OCCO	ZINC000002773363	555816404	/nfs/dbraw/zinc/81/64/04/555816404.db2.gz	PQDRYJRFUAPZNV-MHZLTWQESA-N	0	0	429.516	5.283	50	30		IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002784241	555820177	/nfs/dbraw/zinc/82/01/77/555820177.db2.gz	HRYVBDGISUPMBJ-SANMLTNESA-N	0	0	445.559	5.400	50	30		IKEARN
CCCCc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1	ZINC000002795139	555821843	/nfs/dbraw/zinc/82/18/43/555821843.db2.gz	VOHVSKPGZYWERK-JJIBRWJFSA-N	0	0	429.589	6.328	50	30		IKEARN
COc1ccc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)cc1Br	ZINC000002798932	555823728	/nfs/dbraw/zinc/82/37/28/555823728.db2.gz	RYHMRNPSEHFXSY-QHCPKHFHSA-N	0	0	434.333	6.284	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc3ccccc32)C2=C(CC(C)(C)CC2=O)N1	ZINC000002801352	555824544	/nfs/dbraw/zinc/82/45/44/555824544.db2.gz	KZZYBQRJDRGBDO-SANMLTNESA-N	0	0	443.587	6.320	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(C(F)(F)F)cc3)c(OC)c2)n1	ZINC000034712192	555825554	/nfs/dbraw/zinc/82/55/54/555825554.db2.gz	PPFNTIDYMHPPDJ-UHFFFAOYSA-N	0	0	448.466	5.332	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)n1	ZINC000034712517	555825821	/nfs/dbraw/zinc/82/58/21/555825821.db2.gz	XLDSQYORQPJOBC-UHFFFAOYSA-N	0	0	449.359	5.620	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)cc2F)n1	ZINC000034713439	555826635	/nfs/dbraw/zinc/82/66/35/555826635.db2.gz	KBGMPKLAAVNADN-UHFFFAOYSA-N	0	0	436.430	5.463	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000002807315	555826996	/nfs/dbraw/zinc/82/69/96/555826996.db2.gz	OYOOXVFUTXGTNZ-GZAOZUBMSA-N	0	0	430.529	5.826	50	30		IKEARN
C(=N/c1cccc2c(/N=C/c3ccc4ccccc4c3)cccc12)\c1ccc2ccccc2c1	ZINC000002816313	555828747	/nfs/dbraw/zinc/82/87/47/555828747.db2.gz	QJUOZEIMYHONIX-WXGDAXOSSA-N	0	0	434.542	8.647	50	30		IKEARN
CCOc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc(Cl)c1OC(C)=O	ZINC000002821771	555829878	/nfs/dbraw/zinc/82/98/78/555829878.db2.gz	BJMVLERFDMGDIL-YVLHZVERSA-N	0	0	447.965	5.568	50	30		IKEARN
N#C[C@@H](c1ccc(OCc2ccccc2)cc1)N(Cc1ccccc1)C(=O)c1ccccc1	ZINC000002835462	555832614	/nfs/dbraw/zinc/83/26/14/555832614.db2.gz	JEFKSJFYIBGQKO-NDEPHWFRSA-N	0	0	432.523	6.173	50	30		IKEARN
CC(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(C(C)C)cc4)cc3)cc2)cc1	ZINC000002839326	555834605	/nfs/dbraw/zinc/83/46/05/555834605.db2.gz	FHCDUUMDYAMSLX-WXGDAXOSSA-N	0	0	444.622	9.102	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000002844517	555836929	/nfs/dbraw/zinc/83/69/29/555836929.db2.gz	HSRHEDXSOZKCBK-VFNWGFHPSA-N	0	0	445.437	5.223	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000002844518	555837022	/nfs/dbraw/zinc/83/70/22/555837022.db2.gz	HSRHEDXSOZKCBK-QVKFZJNVSA-N	0	0	445.437	5.223	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CC(=O)NC(Nc2ccc(Cl)cc2Cl)=N1	ZINC000002861679	555845111	/nfs/dbraw/zinc/84/51/11/555845111.db2.gz	FJCSJUUHDWLHCA-CQSZACIVSA-N	0	0	446.121	5.245	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc2c(c1)OCO2	ZINC000002865441	555846687	/nfs/dbraw/zinc/84/66/87/555846687.db2.gz	XCQYTDYOONTSMC-SFHVURJKSA-N	0	0	439.298	5.938	50	30		IKEARN
Cc1ccsc1/C=N/c1ccc(-c2ccc(/N=C/c3sccc3C)c(C)c2)cc1C	ZINC000002895016	555860181	/nfs/dbraw/zinc/86/01/81/555860181.db2.gz	JMCJBVOXUVVAEW-DPCVLPDWSA-N	0	0	428.626	8.211	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1	ZINC000002927011	555863780	/nfs/dbraw/zinc/86/37/80/555863780.db2.gz	BACMQGSHIULFSS-CPJSRVTESA-N	0	0	431.532	5.010	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1	ZINC000002927013	555863789	/nfs/dbraw/zinc/86/37/89/555863789.db2.gz	BACMQGSHIULFSS-NBGIEHNGSA-N	0	0	431.532	5.010	50	30		IKEARN
O=C(COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1	ZINC000002972138	555869744	/nfs/dbraw/zinc/86/97/44/555869744.db2.gz	GOLSBDVZWNQVNI-UHFFFAOYSA-N	0	0	436.110	5.586	50	30		IKEARN
NC(=S)N/N=C/C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1	ZINC000002981298	555872195	/nfs/dbraw/zinc/87/21/95/555872195.db2.gz	SHIMQAFXPKRXRL-WVWWYIFQSA-N	0	0	441.625	5.874	50	30		IKEARN
C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC	ZINC000002997580	555876367	/nfs/dbraw/zinc/87/63/67/555876367.db2.gz	XZZQAAPHFLQVLN-UHFFFAOYSA-N	0	0	448.559	5.498	50	30		IKEARN
O/N=C/c1ccc(OC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1	ZINC000002999299	555877304	/nfs/dbraw/zinc/87/73/04/555877304.db2.gz	PDHPYWNJTHUSSJ-XMQIJXBMSA-N	0	0	429.303	5.349	50	30		IKEARN
C=CCOc1ccccc1CN(Cc1cc(=O)n2ccsc2n1)c1ccc(C)c(C)c1	ZINC000010547180	555881458	/nfs/dbraw/zinc/88/14/58/555881458.db2.gz	SKIZZHJTMCWWGJ-UHFFFAOYSA-N	0	0	431.561	5.144	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000003098432	555886389	/nfs/dbraw/zinc/88/63/89/555886389.db2.gz	AVKQDJNVEBZLAT-RUZDIDTESA-N	0	0	431.532	5.187	50	30		IKEARN
COc1cc(/C=N/c2cccc3ccccc32)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003112018	555888548	/nfs/dbraw/zinc/88/85/48/555888548.db2.gz	RNBUMJQTGZZVIV-MFKUBSTISA-N	0	0	443.415	6.208	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1	ZINC000003639562	555943071	/nfs/dbraw/zinc/94/30/71/555943071.db2.gz	XGTVBDHKQSNKBC-BVZFJXPGSA-N	0	0	449.522	5.149	50	30		IKEARN
CSC1=N/C(=N\c2cccc(C)c2)C2(CCCC2)N1c1ccc(Br)cc1	ZINC000003663429	555944817	/nfs/dbraw/zinc/94/48/17/555944817.db2.gz	QMFPWFXXGAFWBE-NMWGTECJSA-N	0	0	428.399	6.340	50	30		IKEARN
N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCCC2	ZINC000003666067	555945085	/nfs/dbraw/zinc/94/50/85/555945085.db2.gz	BIUDHHGXKJUKGD-UVHMKAGCSA-N	0	0	441.383	7.135	50	30		IKEARN
CC(C)COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000003666420	555945242	/nfs/dbraw/zinc/94/52/42/555945242.db2.gz	NTITWBAYXKMOTE-FUQOYWQNSA-N	0	0	442.584	6.526	50	30		IKEARN
Cc1cccc(COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Br)c1	ZINC000003764747	555946090	/nfs/dbraw/zinc/94/60/90/555946090.db2.gz	PMQZGZMVOJZKGH-UHFFFAOYSA-N	0	0	433.301	5.799	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000004043997	555955157	/nfs/dbraw/zinc/95/51/57/555955157.db2.gz	LPRZIIKGLMNTQR-LVXARBLLSA-N	0	0	444.575	5.067	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004043961	555955196	/nfs/dbraw/zinc/95/51/96/555955196.db2.gz	CDZJJLMRMQTLMI-VWLOTQADSA-N	0	0	436.596	5.377	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004060363	555956237	/nfs/dbraw/zinc/95/62/37/555956237.db2.gz	NEPCHUHGUTUJFW-UQBPGWFLSA-N	0	0	431.532	5.010	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004064667	555957193	/nfs/dbraw/zinc/95/71/93/555957193.db2.gz	MQCRGRCXXRGJAF-IBVKSMDESA-N	0	0	445.559	5.400	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004064661	555957201	/nfs/dbraw/zinc/95/72/01/555957201.db2.gz	MQCRGRCXXRGJAF-FNZWTVRRSA-N	0	0	445.559	5.400	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3ccccc3c2)cc1	ZINC000004064694	555957228	/nfs/dbraw/zinc/95/72/28/555957228.db2.gz	GTAYUCKXHAMCRM-YUDQIZAISA-N	0	0	446.550	6.828	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OCC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004064662	555957235	/nfs/dbraw/zinc/95/72/35/555957235.db2.gz	MQCRGRCXXRGJAF-RXFWQSSRSA-N	0	0	445.559	5.400	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC)cc1	ZINC000004064911	555957396	/nfs/dbraw/zinc/95/73/96/555957396.db2.gz	MXFDBTUHCCBVNF-DNOBIOAJSA-N	0	0	426.516	5.683	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2	ZINC000004065500	555957451	/nfs/dbraw/zinc/95/74/51/555957451.db2.gz	WPJSWEYGXJTELH-IVCQMTBJSA-N	0	0	435.354	6.973	50	30		IKEARN
CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004065486	555957479	/nfs/dbraw/zinc/95/74/79/555957479.db2.gz	FEAIPHNAYUBJNB-KCWXNJEJSA-N	0	0	438.571	6.845	50	30		IKEARN
Cc1cccnc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	ZINC000004075230	555958384	/nfs/dbraw/zinc/95/83/84/555958384.db2.gz	OMRFIMYKQSDBHP-IBGZPJMESA-N	0	0	442.346	5.303	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1	ZINC000004075114	555958391	/nfs/dbraw/zinc/95/83/91/555958391.db2.gz	CFAAYVLWXFPNFY-XRHLQHRESA-N	0	0	440.499	5.403	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2	ZINC000004082201	555958857	/nfs/dbraw/zinc/95/88/57/555958857.db2.gz	WGXUZVDOIBYSGG-JOCHJYFZSA-N	0	0	443.360	6.427	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2	ZINC000004080031	555958883	/nfs/dbraw/zinc/95/88/83/555958883.db2.gz	IENZLPCPVYGBNZ-CPJLOUKISA-N	0	0	435.354	6.973	50	30		IKEARN
Cc1ccc2occ([C@@H]3Nc4cc(C)c(C)cc4NC4=C3C(=O)CC(C)(C)C4)c(=O)c2c1	ZINC000004081886	555958939	/nfs/dbraw/zinc/95/89/39/555958939.db2.gz	LXUSMDMQPSEYKW-VWLOTQADSA-N	0	0	428.532	5.940	50	30	biogenic	IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000004082016	555958956	/nfs/dbraw/zinc/95/89/56/555958956.db2.gz	GUPPYNAVRNACFU-SSOJOUAXSA-N	0	0	435.354	6.973	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1	ZINC000004402972	555992925	/nfs/dbraw/zinc/99/29/25/555992925.db2.gz	VRGBYQUSAQYZMH-OYLFLEFRSA-N	0	0	431.448	5.176	50	30		IKEARN
O=[N+]([O-])c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1	ZINC000004577685	556002714	/nfs/dbraw/zinc/00/27/14/556002714.db2.gz	AMFHUDPQIPHXIT-NHDPSOOVSA-N	0	0	438.241	5.007	50	30		IKEARN
COc1cc2c(c(OC)c1)[C@@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794659	556012139	/nfs/dbraw/zinc/01/21/39/556012139.db2.gz	ZMXMKVXAUOBSMP-FQEVSTJZSA-N	0	0	442.353	5.667	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccco2)cc1	ZINC000005092529	556032009	/nfs/dbraw/zinc/03/20/09/556032009.db2.gz	KNSLAUYCFAAQEL-PPHZAIPVSA-N	0	0	427.548	6.105	50	30		IKEARN
CCOc1cc(/C=N/c2cccc(Br)c2)ccc1Oc1ccc([N+](=O)[O-])cn1	ZINC000005948633	556070481	/nfs/dbraw/zinc/07/04/81/556070481.db2.gz	LNNYDECEZJUGGH-WSDLNYQXSA-N	0	0	442.269	5.694	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1	ZINC000006137158	556076984	/nfs/dbraw/zinc/07/69/84/556076984.db2.gz	PNVVJAWMSSGWSM-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N/N=C(/C)c1ccc(F)cc1	ZINC000006142420	556077478	/nfs/dbraw/zinc/07/74/78/556077478.db2.gz	QEDZPCJTDQBXSY-NOQLHCICSA-N	0	0	449.473	5.297	50	30		IKEARN
Cc1nn(-c2ccccc2)c(N2CCCCC2)c1C=[NH+][N-]c1ccc(C(F)(F)F)cn1	ZINC000006143140	556077821	/nfs/dbraw/zinc/07/78/21/556077821.db2.gz	AKJZKLKZGKQJGI-JFLMPSFJSA-N	0	0	428.462	5.031	50	30		IKEARN
CC(C)c1ccc(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1	ZINC000006190763	556080007	/nfs/dbraw/zinc/08/00/07/556080007.db2.gz	IGFFUMXCISPLTO-WGOQTCKBSA-N	0	0	433.535	5.314	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000006407937	556086945	/nfs/dbraw/zinc/08/69/45/556086945.db2.gz	GFBWHKMHZFPNDT-NYHFZMIOSA-N	0	0	427.591	5.431	50	30		IKEARN
C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@H]2c1ccco1	ZINC000006498690	556091813	/nfs/dbraw/zinc/09/18/13/556091813.db2.gz	COFDEJPZEYLXTK-QUGAMOGWSA-N	0	0	428.488	5.112	50	30		IKEARN
Cc1onc(-c2ccccc2Cl)c1C(=O)ONC(=N)Cc1ccc(Cl)cc1Cl	ZINC000006767005	556103612	/nfs/dbraw/zinc/10/36/12/556103612.db2.gz	IZRCEWYPEFIOHA-UHFFFAOYSA-N	0	0	438.698	5.282	50	30		IKEARN
CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(Cl)ccc2Cl)o1	ZINC000002789859	556139312	/nfs/dbraw/zinc/13/93/12/556139312.db2.gz	APCMPYHQNMBVTN-QPSGOUHRSA-N	0	0	433.267	5.299	50	30		IKEARN
Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)c(N)c21	ZINC000002791568	556144060	/nfs/dbraw/zinc/14/40/60/556144060.db2.gz	IBQPVUIIWFQMDK-UHFFFAOYSA-N	0	0	441.303	5.154	50	30		IKEARN
COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccc(Cl)cc1	ZINC000002791451	556144089	/nfs/dbraw/zinc/14/40/89/556144089.db2.gz	NIRFWJXOEQCKEC-AUEPDCJTSA-N	0	0	438.887	5.061	50	30		IKEARN
Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CC[C@@H](C(C)(C)C)C3)cnn1C	ZINC000002792862	556144614	/nfs/dbraw/zinc/14/46/14/556144614.db2.gz	UPQWKMYKYNVFAW-WGFYCLKKSA-N	0	0	440.657	5.754	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2sc3c(c2c1=O)CC[C@H](C)C3	ZINC000002889467	556147612	/nfs/dbraw/zinc/14/76/12/556147612.db2.gz	JAUIPVXDVZRUEM-AWEZNQCLSA-N	0	0	438.618	5.361	50	30		IKEARN
C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)\c1ccccc1	ZINC000008383308	556158874	/nfs/dbraw/zinc/15/88/74/556158874.db2.gz	NJYHHTCFAHCIPJ-SMJITPNZSA-N	0	0	428.579	7.315	50	30		IKEARN
CCCCCCCCCCCCCCc1ccc(-n2cnc(C(=O)OCC)c2N)cc1	ZINC000008383551	556159541	/nfs/dbraw/zinc/15/95/41/556159541.db2.gz	MWAOEDAGBRCQPY-UHFFFAOYSA-N	0	0	427.633	6.875	50	30		IKEARN
O=C(c1ccccc1)C1=C(c2ccccc2)N(c2ccccc2)C(=O)C(Cl)(Cl)C1=O	ZINC000008384181	556159936	/nfs/dbraw/zinc/15/99/36/556159936.db2.gz	AMLZGIBMYQKXES-UHFFFAOYSA-N	0	0	436.294	5.070	50	30		IKEARN
O=C(C1=C(c2ccccc2)NC(=O)C1=C(c1ccccc1)c1ccccc1)c1ccccc1	ZINC000008384169	556159956	/nfs/dbraw/zinc/15/99/56/556159956.db2.gz	XELGUQRKORLHHK-UHFFFAOYSA-N	0	0	427.503	5.913	50	30		IKEARN
CCCCCCCCCCCCSc1nnc(SCn2nnc3ccccc32)s1	ZINC000008384764	556160624	/nfs/dbraw/zinc/16/06/24/556160624.db2.gz	TVJDLIGRBLSYTO-UHFFFAOYSA-N	0	0	449.715	7.046	50	30		IKEARN
CCc1c(O)c(/C(C)=N/OCc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1	ZINC000008384786	556160640	/nfs/dbraw/zinc/16/06/40/556160640.db2.gz	JLVBJKQPWCETHB-ZTKZIYFRSA-N	0	0	438.527	5.713	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)S/C1=N\c1cc(Cl)ccc1C	ZINC000008385197	556161179	/nfs/dbraw/zinc/16/11/79/556161179.db2.gz	UVGSRIKXBAAQKN-FNWSHLARSA-N	0	0	429.973	5.245	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2cc(Cl)ccc2C)S/C1=N\c1ccc(C)c(C)c1	ZINC000008385199	556161265	/nfs/dbraw/zinc/16/12/65/556161265.db2.gz	VWJDRYKVGRMRDT-COPMAWBXSA-N	0	0	429.973	5.245	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)Nc1nc(-c2ccc(C)cc2)cs1	ZINC000008385592	556161454	/nfs/dbraw/zinc/16/14/54/556161454.db2.gz	HNWOZRVCMOZARI-UHFFFAOYSA-N	0	0	428.686	8.538	50	30		IKEARN
Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl	ZINC000008386567	556162166	/nfs/dbraw/zinc/16/21/66/556162166.db2.gz	DFQZKDUCCMXISQ-ZVHZXABRSA-N	0	0	442.354	5.358	50	30		IKEARN
CCCCCCCCCCCCc1ccc(-c2ccc(C(=O)N3CCOCC3)cc2)cc1	ZINC000008387356	556162401	/nfs/dbraw/zinc/16/24/01/556162401.db2.gz	IYXYDPNYLVFCHX-UHFFFAOYSA-N	0	0	435.652	7.289	50	30		IKEARN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000008397018	556163953	/nfs/dbraw/zinc/16/39/53/556163953.db2.gz	KPSOFTOEQSZFRM-PGGKNCGUSA-N	0	0	444.196	6.626	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c1=O	ZINC000008398018	556164540	/nfs/dbraw/zinc/16/45/40/556164540.db2.gz	XKBBATJYPCVQNT-RMKNXTFCSA-N	0	0	426.232	5.156	50	30		IKEARN
CC[C@@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000008400447	556165955	/nfs/dbraw/zinc/16/59/55/556165955.db2.gz	LNIFIALKAWDNAG-RKLHJIHPSA-N	0	0	440.565	5.123	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)COc1ccccc1[C@H](C)CC	ZINC000008400600	556166209	/nfs/dbraw/zinc/16/62/09/556166209.db2.gz	GCTKGYMPZGYYAO-RUZDIDTESA-N	0	0	431.705	8.176	50	30		IKEARN
CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000008407956	556166830	/nfs/dbraw/zinc/16/68/30/556166830.db2.gz	FELINXJLPXJNFQ-DEOSSOPVSA-N	0	0	436.552	5.407	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000008415099	556167742	/nfs/dbraw/zinc/16/77/42/556167742.db2.gz	WYVWOVOWASGNHA-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
Cc1ccc2nc(C)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1	ZINC000008425716	556168635	/nfs/dbraw/zinc/16/86/35/556168635.db2.gz	DDDWLUNZOSDSIJ-RVDMUPIBSA-N	0	0	442.356	7.177	50	30		IKEARN
CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000008430442	556170532	/nfs/dbraw/zinc/17/05/32/556170532.db2.gz	OMNIURFCWDFEAJ-DWXRJYCRSA-N	0	0	430.573	6.516	50	30		IKEARN
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000008431735	556171506	/nfs/dbraw/zinc/17/15/06/556171506.db2.gz	IZGYIPCECYBTOM-SANMLTNESA-N	0	0	432.564	6.028	50	30		IKEARN
CCCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000008432072	556171555	/nfs/dbraw/zinc/17/15/55/556171555.db2.gz	BZFSOUBHLWUHFZ-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
CCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC	ZINC000008435284	556173119	/nfs/dbraw/zinc/17/31/19/556173119.db2.gz	FAEMTEILVLJIER-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
CCN(CC)c1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1	ZINC000008434937	556173151	/nfs/dbraw/zinc/17/31/51/556173151.db2.gz	ZAYXDIXLKPIDON-UHFFFAOYSA-N	0	0	439.596	6.019	50	30		IKEARN
CCc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1	ZINC000008439127	556175192	/nfs/dbraw/zinc/17/51/92/556175192.db2.gz	RLIXDMXDGVQSQG-WNAAXNPUSA-N	0	0	447.581	5.608	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1	ZINC000008439312	556175484	/nfs/dbraw/zinc/17/54/84/556175484.db2.gz	VSMDTURROHSZGZ-DEOSSOPVSA-N	0	0	435.589	5.446	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008440065	556176096	/nfs/dbraw/zinc/17/60/96/556176096.db2.gz	ATQYDIYZLYDUPD-RUZDIDTESA-N	0	0	439.555	6.071	50	30		IKEARN
CSc1ccc([C@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000008440519	556176510	/nfs/dbraw/zinc/17/65/10/556176510.db2.gz	KOCLNSLPPORYAS-QFIPXVFZSA-N	0	0	433.577	5.046	50	30		IKEARN
CCCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440797	556176524	/nfs/dbraw/zinc/17/65/24/556176524.db2.gz	CYYVWSFVWZGQGP-OAQYLSRUSA-N	0	0	437.517	5.299	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3Cl)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000008442315	556177327	/nfs/dbraw/zinc/17/73/27/556177327.db2.gz	BYXZAQQCRJRABN-CYXNTTPDSA-N	0	0	449.941	5.933	50	30		IKEARN
CCOc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc4ccccc4n3)s2)cc1	ZINC000008442486	556177332	/nfs/dbraw/zinc/17/73/32/556177332.db2.gz	TXNMYTCFCSGBMW-LGJNPRDNSA-N	0	0	427.451	6.526	50	30		IKEARN
CCCOc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1	ZINC000008443856	556178572	/nfs/dbraw/zinc/17/85/72/556178572.db2.gz	XBPUHAZGAJUOGE-SANMLTNESA-N	0	0	432.564	6.028	50	30		IKEARN
CCCOc1ccccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)CC	ZINC000008444087	556178707	/nfs/dbraw/zinc/17/87/07/556178707.db2.gz	UPIFDHKHXHBGTB-SANMLTNESA-N	0	0	432.564	6.028	50	30		IKEARN
Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(Br)cc2)n1	ZINC000008444784	556179222	/nfs/dbraw/zinc/17/92/22/556179222.db2.gz	ODZQYOZRBGRAMF-MFKUBSTISA-N	0	0	445.320	5.725	50	30		IKEARN
FC(F)(F)C1=CN2C(c3ccco3)=NC(C(F)(F)F)(C(F)(F)F)N=C2C(Cl)=C1	ZINC000008445278	556179660	/nfs/dbraw/zinc/17/96/60/556179660.db2.gz	LSGIMDNMXDIOGH-UHFFFAOYSA-N	0	0	437.649	5.144	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(OC)cc1)C2=O	ZINC000008448934	556180764	/nfs/dbraw/zinc/18/07/64/556180764.db2.gz	CHJLCNXRVDJGGC-UHFFFAOYSA-N	0	0	437.536	5.793	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000008450431	556181232	/nfs/dbraw/zinc/18/12/32/556181232.db2.gz	KAHOQLSJMYOJGP-KGENOOAVSA-N	0	0	444.443	5.040	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl	ZINC000008451541	556182164	/nfs/dbraw/zinc/18/21/64/556182164.db2.gz	JGMVFJLFZKPFLZ-CXUHLZMHSA-N	0	0	437.746	5.311	50	30		IKEARN
CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(Cc3ccco3)C1=O)OCO2	ZINC000008451842	556182417	/nfs/dbraw/zinc/18/24/17/556182417.db2.gz	ROUYAPDUUUROKS-BZTNSOLFSA-N	0	0	448.500	5.211	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)c(C)c1	ZINC000008452251	556182755	/nfs/dbraw/zinc/18/27/55/556182755.db2.gz	WQVAFROCZAAHDK-CRUFNBOHSA-N	0	0	445.382	5.698	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)/C=C\c1cc(Cl)cc(Cl)c1OC	ZINC000097402283	556186617	/nfs/dbraw/zinc/18/66/17/556186617.db2.gz	XZWYIFJCMITUSW-CIIODKQPSA-N	0	0	432.130	6.613	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O/N=C/c1c(C)c(C)c(C)c(C)c1C	ZINC000008616531	556192512	/nfs/dbraw/zinc/19/25/12/556192512.db2.gz	IFTKYQNTWKNXJW-NSKAYECMSA-N	0	0	445.346	6.690	50	30		IKEARN
CC(C=NOCc1c(Cl)cccc1Cl)N=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000008626621	556193577	/nfs/dbraw/zinc/19/35/77/556193577.db2.gz	HPTPAKZHPHPDKI-AEJFBDKMSA-N	0	0	439.557	6.944	50	30		IKEARN
COc1ccc(/C(C)=N/OC(=O)c2ccc(Cl)cc2)cc1CSc1ccccn1	ZINC000008629694	556194094	/nfs/dbraw/zinc/19/40/94/556194094.db2.gz	RGRJCBQKWVZGGI-MFKUBSTISA-N	0	0	426.925	5.617	50	30		IKEARN
O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1ccccc1/N=C/c1ccccc1O	ZINC000008629783	556194115	/nfs/dbraw/zinc/19/41/15/556194115.db2.gz	RZZIDAKVEJOAMA-BHGWPJFGSA-N	0	0	446.341	5.722	50	30		IKEARN
N=C(CSc1cccs1)NOC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000008637186	556195409	/nfs/dbraw/zinc/19/54/09/556195409.db2.gz	BCTXXPFJTYXRLF-UHFFFAOYSA-N	0	0	428.379	5.007	50	30		IKEARN
O=C1CS/C(=N\c2cc(Cl)c(Cl)cc2Cl)N1Cc1ccc2c(c1)OCO2	ZINC000008648177	556195995	/nfs/dbraw/zinc/19/59/95/556195995.db2.gz	YTVXTXZNFXSTIH-FXBPSFAMSA-N	0	0	429.712	5.139	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008739284	556205881	/nfs/dbraw/zinc/20/58/81/556205881.db2.gz	WGDCIXFXFONXPR-NRFANRHFSA-N	0	0	434.467	5.203	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000008740615	556206315	/nfs/dbraw/zinc/20/63/15/556206315.db2.gz	YLLYBCVDOLFYLA-HXUWFJFHSA-N	0	0	434.517	5.022	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000008741465	556206994	/nfs/dbraw/zinc/20/69/94/556206994.db2.gz	VXPYLFGBYLCGDV-NRFANRHFSA-N	0	0	432.545	5.219	50	30		IKEARN
O=C(/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1	ZINC000008742119	556207394	/nfs/dbraw/zinc/20/73/94/556207394.db2.gz	QDMZUWVXMJWTDD-WJDWOHSUSA-N	0	0	439.216	6.651	50	30		IKEARN
O=C1Nc2ccc([N+](=O)[O-])cc2C1=C1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000008742100	556207428	/nfs/dbraw/zinc/20/74/28/556207428.db2.gz	VSXMJSFBNLNLBA-HSRFISPZSA-N	0	0	442.456	5.375	50	30		IKEARN
C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1	ZINC000008743591	556208120	/nfs/dbraw/zinc/20/81/20/556208120.db2.gz	SUUOKAQVXPRLDV-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(C)c2)cc1	ZINC000008779932	556214602	/nfs/dbraw/zinc/21/46/02/556214602.db2.gz	PCUDZKQAQSCLPO-VWLOTQADSA-N	0	0	445.559	5.351	50	30		IKEARN
N#Cc1c(-c2ccc(Br)cc2)c(/C=C\c2ccccc2)nn1-c1ccccc1	ZINC000097475226	556216658	/nfs/dbraw/zinc/21/66/58/556216658.db2.gz	VINKLNLSNHREPZ-WJDWOHSUSA-N	0	0	426.317	6.344	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2c(Cl)cccc2Cl)c1=O	ZINC000097474809	556216732	/nfs/dbraw/zinc/21/67/32/556216732.db2.gz	PNJIZAARSJFIJX-CLFYSBASSA-N	0	0	427.125	5.444	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2	ZINC000008846665	556227139	/nfs/dbraw/zinc/22/71/39/556227139.db2.gz	NVTWIXACOHQGCP-CRYYWNKWSA-N	0	0	444.962	6.718	50	30		IKEARN
CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCC	ZINC000008860495	556228137	/nfs/dbraw/zinc/22/81/37/556228137.db2.gz	APDLCSPGWPLYEQ-WRBRXSDHSA-N	0	0	425.698	6.442	50	30	in-vitro	IKEARN
COc1cccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1	ZINC000008914000	556231977	/nfs/dbraw/zinc/23/19/77/556231977.db2.gz	FVWWBSVRCAEWET-LYZGTLIUSA-N	0	0	438.527	5.616	50	30		IKEARN
COc1cccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1	ZINC000008913999	556232013	/nfs/dbraw/zinc/23/20/13/556232013.db2.gz	FVWWBSVRCAEWET-RBTNQOKQSA-N	0	0	438.527	5.616	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000008972344	556237624	/nfs/dbraw/zinc/23/76/24/556237624.db2.gz	UIRHLVVFWAYYHY-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1	ZINC000008974624	556237964	/nfs/dbraw/zinc/23/79/64/556237964.db2.gz	RKAPRONBLMDNBI-GDJIYFAZSA-N	0	0	440.543	6.073	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)cc1	ZINC000009008209	556240170	/nfs/dbraw/zinc/24/01/70/556240170.db2.gz	WHRHZLHXXNQFAM-HXUWFJFHSA-N	0	0	439.298	5.167	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000009042936	556242318	/nfs/dbraw/zinc/24/23/18/556242318.db2.gz	OLWBKSRHNUZJJA-SANMLTNESA-N	0	0	446.547	5.604	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000009043171	556242367	/nfs/dbraw/zinc/24/23/67/556242367.db2.gz	XMCCXPYRDDZXTN-FQEVSTJZSA-N	0	0	439.298	5.167	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000009046066	556242872	/nfs/dbraw/zinc/24/28/72/556242872.db2.gz	WEWIQWUUBJGZRD-SANMLTNESA-N	0	0	446.547	5.749	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=S)Nc2ccccc2)Nc2ccc(Cl)c(Cl)c2)n1	ZINC000009065449	556244776	/nfs/dbraw/zinc/24/47/76/556244776.db2.gz	GTNUJWHLVLPMIB-UHFFFAOYSA-N	0	0	445.379	5.677	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)cc1OC	ZINC000009129834	556248848	/nfs/dbraw/zinc/24/88/48/556248848.db2.gz	OJTUKUXDZSBQNV-RUZDIDTESA-N	0	0	448.563	5.503	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009184889	556250135	/nfs/dbraw/zinc/25/01/35/556250135.db2.gz	MMXPVYJCUOUUPZ-JOCHJYFZSA-N	0	0	431.875	5.326	50	30		IKEARN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009240502	556266337	/nfs/dbraw/zinc/26/63/37/556266337.db2.gz	SLTINVFCIDBTMO-JOCHJYFZSA-N	0	0	446.890	5.083	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12	ZINC000009242713	556266688	/nfs/dbraw/zinc/26/66/88/556266688.db2.gz	ZBQOOGVMABWGQS-OSPHWJPCSA-N	0	0	426.907	5.500	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12	ZINC000009242711	556266725	/nfs/dbraw/zinc/26/67/25/556266725.db2.gz	ZBQOOGVMABWGQS-BXKMTCNYSA-N	0	0	426.907	5.500	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1	ZINC000009246825	556267034	/nfs/dbraw/zinc/26/70/34/556267034.db2.gz	PYYUUKYQCKCTOA-QUGAMOGWSA-N	0	0	432.926	6.767	50	30		IKEARN
Cc1c(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1	ZINC000009261266	556268960	/nfs/dbraw/zinc/26/89/60/556268960.db2.gz	NSZQLECCNNSTQZ-BUVRLJJBSA-N	0	0	441.531	6.029	50	30		IKEARN
COc1c(Cl)cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br	ZINC000009261327	556269307	/nfs/dbraw/zinc/26/93/07/556269307.db2.gz	RVNBOSOVKSPVIU-RIYZIHGNSA-N	0	0	441.709	5.142	50	30		IKEARN
COc1ccc(NC(=O)N2c3ccccc3N=C3CCCC(=O)C3[C@H]2c2ccccc2)cc1	ZINC000009264179	556270108	/nfs/dbraw/zinc/27/01/08/556270108.db2.gz	JPLOWEVPXSUXRA-AREMUKBSSA-N	0	0	439.515	5.908	50	30		IKEARN
COc1ccccc1[C@@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O	ZINC000009264313	556270376	/nfs/dbraw/zinc/27/03/76/556270376.db2.gz	GHIOUXPTYCHIBO-WGDIFIGCSA-N	0	0	428.488	5.209	50	30		IKEARN
O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000009264371	556270437	/nfs/dbraw/zinc/27/04/37/556270437.db2.gz	IZHRCDYDYOIOKV-PUAOIOHZSA-N	0	0	440.455	5.680	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1	ZINC000009264613	556270444	/nfs/dbraw/zinc/27/04/44/556270444.db2.gz	XMTUERJUKQHQAP-HXNPFYCNSA-N	0	0	445.588	6.117	50	30		IKEARN
O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl	ZINC000009272138	556271128	/nfs/dbraw/zinc/27/11/28/556271128.db2.gz	JPORGMDGWOQHJJ-CYBMUJFWSA-N	0	0	430.154	5.218	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1	ZINC000009301157	556275959	/nfs/dbraw/zinc/27/59/59/556275959.db2.gz	ZDMMAPDMIUEIRU-HHHXNRCGSA-N	0	0	447.538	6.015	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000009312224	556280410	/nfs/dbraw/zinc/28/04/10/556280410.db2.gz	LJOHDXCOSBONGV-LJQANCHMSA-N	0	0	445.544	5.425	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1O)C1=C(CC(C)(C)CC1=O)N2	ZINC000009312172	556280523	/nfs/dbraw/zinc/28/05/23/556280523.db2.gz	UOSHNJLDXINYON-QFIPXVFZSA-N	0	0	441.369	5.993	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009329989	556282603	/nfs/dbraw/zinc/28/26/03/556282603.db2.gz	DKCUPIRPNJGSAE-JOCHJYFZSA-N	0	0	435.907	5.835	50	30		IKEARN
O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000009370626	556286168	/nfs/dbraw/zinc/28/61/68/556286168.db2.gz	RVFGCCQXPBNYMV-NRFANRHFSA-N	0	0	448.316	5.228	50	30		IKEARN
O=C(/C=C/c1ccc(NC(=O)COc2ccc(Br)cc2)cc1)c1cccs1	ZINC000009426167	556290279	/nfs/dbraw/zinc/29/02/79/556290279.db2.gz	JTQGBWOINHISMD-LFYBBSHMSA-N	0	0	442.334	5.424	50	30		IKEARN
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009472368	556293669	/nfs/dbraw/zinc/29/36/69/556293669.db2.gz	KHYOPUZNBHHDRP-QHCPKHFHSA-N	0	0	447.462	5.070	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Oc1ccccc1)[C@@H]2c1ccco1	ZINC000009482722	556294170	/nfs/dbraw/zinc/29/41/70/556294170.db2.gz	SJQMLGSBLWFRMB-AREMUKBSSA-N	0	0	442.515	5.502	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1	ZINC000009546505	556297387	/nfs/dbraw/zinc/29/73/87/556297387.db2.gz	JBTUOHMTNWAOJK-WXTAPIANSA-N	0	0	439.490	5.600	50	30		IKEARN
O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C12	ZINC000009546529	556297614	/nfs/dbraw/zinc/29/76/14/556297614.db2.gz	ASXJGZULURUIJB-PUAOIOHZSA-N	0	0	443.909	6.245	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)cc2Cl)cc1OC	ZINC000009559908	556298913	/nfs/dbraw/zinc/29/89/13/556298913.db2.gz	GIPWOQUJELTBGT-XJKSGUPXSA-N	0	0	446.330	5.015	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccccc2C)C1=O	ZINC000013751026	556299079	/nfs/dbraw/zinc/29/90/79/556299079.db2.gz	QPSMUHWMGMTHMJ-UVQVWFEYSA-N	0	0	429.589	6.173	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)c1	ZINC000009559994	556299216	/nfs/dbraw/zinc/29/92/16/556299216.db2.gz	DQMUKBLCFGBICH-BBRMVZONSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1	ZINC000009560046	556299474	/nfs/dbraw/zinc/29/94/74/556299474.db2.gz	VMJSNTZIJYYPPK-RDPSFJRHSA-N	0	0	439.511	5.492	50	30		IKEARN
O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560030	556299497	/nfs/dbraw/zinc/29/94/97/556299497.db2.gz	ZUWADTXKBCRFAB-BBRMVZONSA-N	0	0	430.729	5.107	50	30		IKEARN
O=C1C[C@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560068	556299506	/nfs/dbraw/zinc/29/95/06/556299506.db2.gz	LWURXLAWGAYRRJ-PGRDOPGGSA-N	0	0	443.930	6.137	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Oc3ccccc3)c2)cc1	ZINC000009560048	556299523	/nfs/dbraw/zinc/29/95/23/556299523.db2.gz	VMJSNTZIJYYPPK-GBXCKJPGSA-N	0	0	439.511	5.492	50	30		IKEARN
Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1O	ZINC000013756679	556300804	/nfs/dbraw/zinc/30/08/04/556300804.db2.gz	QETPIMOLSUEHKE-OPEKNORGSA-N	0	0	439.302	5.769	50	30		IKEARN
Clc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)cc1	ZINC000013756745	556300808	/nfs/dbraw/zinc/30/08/08/556300808.db2.gz	QNDDIHBKFCJXDN-BRJLIKDPSA-N	0	0	427.722	6.703	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NCc2ccco2)cc1	ZINC000013764545	556302491	/nfs/dbraw/zinc/30/24/91/556302491.db2.gz	VQZOUJZKSXJASA-UHFFFAOYSA-N	0	0	432.386	5.649	50	30		IKEARN
CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C	ZINC000009614292	556303528	/nfs/dbraw/zinc/30/35/28/556303528.db2.gz	AITJTURKCCCOIZ-MIZPHKNDSA-N	0	0	441.402	7.134	50	30		IKEARN
Cc1c(OC/C(=N\O)c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000013773580	556305946	/nfs/dbraw/zinc/30/59/46/556305946.db2.gz	SXTWFWLDLALBNI-WEMUOSSPSA-N	0	0	447.918	5.911	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000009680430	556306146	/nfs/dbraw/zinc/30/61/46/556306146.db2.gz	DVWBBQPDRSRDCA-HSZRJFAPSA-N	0	0	429.347	6.300	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1	ZINC000013774249	556306998	/nfs/dbraw/zinc/30/69/98/556306998.db2.gz	PTJPHWXNWPBHDJ-LNKIKWGQSA-N	0	0	427.500	5.861	50	30		IKEARN
COc1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000013775323	556307133	/nfs/dbraw/zinc/30/71/33/556307133.db2.gz	IDNDDQLQONLBCQ-MFKUBSTISA-N	0	0	443.415	5.228	50	30		IKEARN
COc1ccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc2c1	ZINC000013810764	556312301	/nfs/dbraw/zinc/31/23/01/556312301.db2.gz	YBAUQSBQEUYOFQ-LUOAPIJWSA-N	0	0	445.935	6.015	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1	ZINC000009851593	556314279	/nfs/dbraw/zinc/31/42/79/556314279.db2.gz	PRYOEAHVBRFDGW-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1ccc3c(c1)OCO3)N2	ZINC000009861253	556314654	/nfs/dbraw/zinc/31/46/54/556314654.db2.gz	JFOJXPWQRSGYCA-SANMLTNESA-N	0	0	438.483	5.232	50	30		IKEARN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	ZINC000009861333	556315007	/nfs/dbraw/zinc/31/50/07/556315007.db2.gz	UENBBEOHPDSUAO-RUZDIDTESA-N	0	0	428.919	6.161	50	30		IKEARN
COc1ccc(OC)c([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c1	ZINC000013838862	556317294	/nfs/dbraw/zinc/31/72/94/556317294.db2.gz	MQMQMQMTYBPBLG-XMMPIXPASA-N	0	0	425.488	5.334	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccco1	ZINC000009934354	556318205	/nfs/dbraw/zinc/31/82/05/556318205.db2.gz	RNCCSISZHQBOIK-CLYVBNDRSA-N	0	0	442.515	5.599	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013538	556322314	/nfs/dbraw/zinc/32/23/14/556322314.db2.gz	XUQUTXAGLBYFDG-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013705	556322474	/nfs/dbraw/zinc/32/24/74/556322474.db2.gz	MTTFLXDXMWWTIH-DEOSSOPVSA-N	0	0	448.538	5.467	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013706	556322516	/nfs/dbraw/zinc/32/25/16/556322516.db2.gz	MTTFLXDXMWWTIH-XMMPIXPASA-N	0	0	448.538	5.467	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013764	556322729	/nfs/dbraw/zinc/32/27/29/556322729.db2.gz	PONHLWOSHSALCG-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000010035310	556323004	/nfs/dbraw/zinc/32/30/04/556323004.db2.gz	KQYMAEBHQWVZEK-DNOBIOAJSA-N	0	0	438.527	5.762	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccccc2C=NNc2ccccc2Br)cc1	ZINC000013895887	556329298	/nfs/dbraw/zinc/32/92/98/556329298.db2.gz	QRHCEQAWIRZJJZ-HYARGMPZSA-N	0	0	444.354	5.004	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C	ZINC000013915996	556332586	/nfs/dbraw/zinc/33/25/86/556332586.db2.gz	XAXMBZMCJULYBA-RUZDIDTESA-N	0	0	449.522	5.162	50	30		IKEARN
CC(C)Oc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1Cl	ZINC000014008690	556353734	/nfs/dbraw/zinc/35/37/34/556353734.db2.gz	QJHJGFVRCCFXEU-CXUHLZMHSA-N	0	0	441.767	6.326	50	30		IKEARN
Cc1ccsc1/C=C1\S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000014009035	556354194	/nfs/dbraw/zinc/35/41/94/556354194.db2.gz	QTMBFHSEKDXTSD-KHHYFDFNSA-N	0	0	443.597	6.385	50	30		IKEARN
O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1	ZINC000012032541	556389233	/nfs/dbraw/zinc/38/92/33/556389233.db2.gz	AJKYOJCZUDFUEE-LDADJPATSA-N	0	0	425.307	5.601	50	30		IKEARN
O=C(Nc1sc(N=NC=CCc2ccccc2)nc1-c1ccccc1)c1ccc(F)cc1	ZINC000012062477	556395446	/nfs/dbraw/zinc/39/54/46/556395446.db2.gz	WUEHLAZWAATKHX-MPCPQKGKSA-N	0	0	442.519	6.313	50	30		IKEARN
COc1ccc(CCNc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1OC	ZINC000032603846	556406585	/nfs/dbraw/zinc/40/65/85/556406585.db2.gz	WKMUEEBRVLDCQJ-UHFFFAOYSA-N	0	0	427.426	5.311	50	30		IKEARN
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(C#N)oc4ccccc43)c2n1	ZINC000032823667	556408318	/nfs/dbraw/zinc/40/83/18/556408318.db2.gz	AYPLSHDFIPKVLJ-UHFFFAOYSA-N	0	0	426.259	5.485	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1	ZINC000014257465	556410920	/nfs/dbraw/zinc/41/09/20/556410920.db2.gz	VNXMVKTYCHYYOF-BUVRLJJBSA-N	0	0	449.557	5.332	50	30		IKEARN
Cn1nc(-c2ccccc2)c([C@@H](O)C#Cc2ccccc2)c1Sc1ccc(Cl)cc1	ZINC000003049332	556411398	/nfs/dbraw/zinc/41/13/98/556411398.db2.gz	RTCPWVSNJMWLNZ-QFIPXVFZSA-N	0	0	430.960	5.977	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccc(F)cc2)c2nc3ccccc3[nH]2)cc(OC)c1OC	ZINC000032642215	556412225	/nfs/dbraw/zinc/41/22/25/556412225.db2.gz	KTRNYPRSSCPNEQ-PDGQHHTCSA-N	0	0	432.451	5.151	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCC(C)C)cc1C	ZINC000032828895	556413343	/nfs/dbraw/zinc/41/33/43/556413343.db2.gz	ABLGNCLFNSDTPG-HXUWFJFHSA-N	0	0	425.579	5.033	50	30		IKEARN
COc1ccc(/C=N\c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1	ZINC000014406272	556415686	/nfs/dbraw/zinc/41/56/86/556415686.db2.gz	BYHZZGJEKGTRPY-QFEZKATASA-N	0	0	449.919	6.798	50	30		IKEARN
CC(C)CC(=O)c1c(O)cc2c(c1O)[C@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O	ZINC000014686649	556432647	/nfs/dbraw/zinc/43/26/47/556432647.db2.gz	TYDBFNAOFZIICW-AWEZNQCLSA-N	0	0	442.552	5.307	50	30	biogenic,in-vitro	IKEARN
Cc1cccc(NC(=O)[C@]2(C#N)[C@@H](c3ccccc3)[C@@]2(C)C(=O)c2ccc(Cl)cc2)c1	ZINC000014944510	556459327	/nfs/dbraw/zinc/45/93/27/556459327.db2.gz	IPHQYXBFPOIGLR-HRNNMHKYSA-N	0	0	428.919	5.784	50	30		IKEARN
O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000015011752	556483439	/nfs/dbraw/zinc/48/34/39/556483439.db2.gz	LRAOFPDEFXCXNX-KGENOOAVSA-N	0	0	431.473	5.065	50	30		IKEARN
O=C(Oc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1)c1ccccc1Cl	ZINC000015011721	556483465	/nfs/dbraw/zinc/48/34/65/556483465.db2.gz	JHESMKBRSVCFND-XSFVSMFZSA-N	0	0	434.904	5.451	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2\N=C(SCC)SC2=O)cc1OCC	ZINC000015016374	556485452	/nfs/dbraw/zinc/48/54/52/556485452.db2.gz	OPSKPYYIZGITNZ-LCYFTJDESA-N	0	0	428.373	5.136	50	30		IKEARN
CCCCN1c2ccccc2/C(=C2/S/C(=N/c3ccc(Cl)cc3)N(C)C2=O)C1=O	ZINC000015016588	556485746	/nfs/dbraw/zinc/48/57/46/556485746.db2.gz	JJIBUHATVABDNO-XJFMHJCUSA-N	0	0	425.941	5.091	50	30		IKEARN
CCCSC1=N/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)S1	ZINC000015016474	556485785	/nfs/dbraw/zinc/48/57/85/556485785.db2.gz	VMKBERNHVBCTQG-PDGQHHTCSA-N	0	0	448.009	6.431	50	30		IKEARN
CCOc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000015018367	556486843	/nfs/dbraw/zinc/48/68/43/556486843.db2.gz	PINVISQOLIUBCR-JXKYSLRESA-N	0	0	444.556	6.216	50	30		IKEARN
CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1F	ZINC000015018639	556487257	/nfs/dbraw/zinc/48/72/57/556487257.db2.gz	SDXIRRWDWVXMDW-RWPZCVJISA-N	0	0	434.536	6.366	50	30		IKEARN
Cc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@H]2C(=O)Nc2ccccc2)cc1	ZINC000015081088	556501196	/nfs/dbraw/zinc/50/11/96/556501196.db2.gz	OJPIWRXLXMPYGY-CYXNTTPDSA-N	0	0	438.527	5.117	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2ccc(OCc3ccc4ccccc4c3)cc2)c(F)c1F	ZINC000030702489	556502405	/nfs/dbraw/zinc/50/24/05/556502405.db2.gz	IGJXFSUQZDPWJG-FTCYSYDXSA-N	0	0	442.387	6.560	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1	ZINC000030742955	556502905	/nfs/dbraw/zinc/50/29/05/556502905.db2.gz	BMJXXZBZQDANFB-RWBSCQHUSA-N	0	0	444.556	5.551	50	30		IKEARN
Brc1ccccc1-c1nnc(CON=C2c3ccccc3-c3ccccc32)o1	ZINC000013527733	556512665	/nfs/dbraw/zinc/51/26/65/556512665.db2.gz	VCOCGCRDVDTNBD-UHFFFAOYSA-N	0	0	432.277	5.449	50	30		IKEARN
CCCCCCOc1ccc(/N=C(C)/C(C)=N/c2ccc(OCCCCCC)cc2)cc1	ZINC000015230325	556512962	/nfs/dbraw/zinc/51/29/62/556512962.db2.gz	LWEBAYLOXHIMSF-HCTXVGCHSA-N	0	0	436.640	8.490	50	30		IKEARN
Cc1ccccc1/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1	ZINC000003082729	556518508	/nfs/dbraw/zinc/51/85/08/556518508.db2.gz	ZZSHEWYVSIWKPP-WYMPLXKRSA-N	0	0	429.259	6.180	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc5ccccc54)nc3c2)ccc1Cl	ZINC000003085021	556519013	/nfs/dbraw/zinc/51/90/13/556519013.db2.gz	QHZMOMXXRNOQRI-VULFUBBASA-N	0	0	427.847	6.960	50	30		IKEARN
Cc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)cc1	ZINC000003089185	556519270	/nfs/dbraw/zinc/51/92/70/556519270.db2.gz	IJISJOCEUVHLGN-WYMPLXKRSA-N	0	0	429.259	6.180	50	30		IKEARN
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc4c5c(cccc53)CC4)cc2)c([N+](=O)[O-])c1	ZINC000003088008	556519585	/nfs/dbraw/zinc/51/95/85/556519585.db2.gz	PCLIVJRCMFJDCY-CVKSISIWSA-N	0	0	439.427	6.298	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(C)c1Cl	ZINC000003087854	556519597	/nfs/dbraw/zinc/51/95/97/556519597.db2.gz	IORFJFAELVJYKO-NSKAYECMSA-N	0	0	445.733	7.528	50	30		IKEARN
Cc1ccccc1/N=C/c1c(OC(=O)c2ccc(Br)cc2)ccc2ccccc21	ZINC000003088624	556519605	/nfs/dbraw/zinc/51/96/05/556519605.db2.gz	NVGLUYQOPQGBMG-JVWAILMASA-N	0	0	444.328	6.881	50	30		IKEARN
[N-]=[N+]=Nc1ccc(Oc2ccc(C(=O)c3ccc(Oc4ccc(N=[N+]=[N-])cc4)cc3)cc2)cc1	ZINC000015636547	556539582	/nfs/dbraw/zinc/53/95/82/556539582.db2.gz	RVGWONWUJLHABN-UHFFFAOYSA-N	0	0	448.442	8.386	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	ZINC000015800144	556552713	/nfs/dbraw/zinc/55/27/13/556552713.db2.gz	GRIDUHLZOPMRPW-NTCAYCPXSA-N	0	0	436.305	5.606	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2[C@@H](C#N)c2ccccc2)c1C#N	ZINC000072305315	556553406	/nfs/dbraw/zinc/55/34/06/556553406.db2.gz	GAQZUPXOIGNYKK-DQEYMECFSA-N	0	0	443.595	5.192	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@H](c1c[nH]c3ccccc31)N2	ZINC000015821837	556553986	/nfs/dbraw/zinc/55/39/86/556553986.db2.gz	RKJBXHXTLVMNQI-MHZLTWQESA-N	0	0	433.511	5.985	50	30		IKEARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1	ZINC000015837256	556555937	/nfs/dbraw/zinc/55/59/37/556555937.db2.gz	VNZPCJPEJWDQNC-QXMHVHEDSA-N	0	0	435.346	6.259	50	30		IKEARN
COc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1	ZINC000033145060	556556140	/nfs/dbraw/zinc/55/61/40/556556140.db2.gz	JCUQFBSGJBJVSM-LDADJPATSA-N	0	0	448.529	5.207	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCCCC)cc1	ZINC000033353744	556562913	/nfs/dbraw/zinc/56/29/13/556562913.db2.gz	DMBIJVJFFGTDMC-UHFFFAOYSA-N	0	0	446.672	8.282	50	30	biogenic	IKEARN
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1	ZINC000015945585	556566829	/nfs/dbraw/zinc/56/68/29/556566829.db2.gz	DDSPIASNYTWIRP-WKTMJKCCSA-N	0	0	446.616	6.911	50	30		IKEARN
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C)C3)c1	ZINC000015946518	556567369	/nfs/dbraw/zinc/56/73/69/556567369.db2.gz	ZUJNXOYFMXQPHZ-KSXCTLEASA-N	0	0	434.561	5.893	50	30		IKEARN
CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)c(C)c2)CCCC3)cc1	ZINC000015946427	556567376	/nfs/dbraw/zinc/56/73/76/556567376.db2.gz	HYNWTEASYYFSBE-JVWAILMASA-N	0	0	432.589	6.645	50	30		IKEARN
Cc1cccc(C(=O)ONC(=N)c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1	ZINC000033958172	556570511	/nfs/dbraw/zinc/57/05/11/556570511.db2.gz	GLICBHIXWAJBGR-UHFFFAOYSA-N	0	0	449.816	5.332	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000015979965	556570846	/nfs/dbraw/zinc/57/08/46/556570846.db2.gz	XKGBLPUZEGOBHN-HXUWFJFHSA-N	0	0	438.593	5.500	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000015979963	556570865	/nfs/dbraw/zinc/57/08/65/556570865.db2.gz	XKGBLPUZEGOBHN-FQEVSTJZSA-N	0	0	438.593	5.500	50	30		IKEARN
CC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000015986310	556571110	/nfs/dbraw/zinc/57/11/10/556571110.db2.gz	LZUWGRSHFSSZJL-HPNDGRJYSA-N	0	0	447.951	5.694	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000001175428	556574148	/nfs/dbraw/zinc/57/41/48/556574148.db2.gz	GNFWYUKPEKUBAW-NRFANRHFSA-N	0	0	444.428	5.451	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)c(C)c1	ZINC000016034357	556577358	/nfs/dbraw/zinc/57/73/58/556577358.db2.gz	WKOKHHOWWHAYEC-GVAUOCQISA-N	0	0	435.552	5.649	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006720507	556579301	/nfs/dbraw/zinc/57/93/01/556579301.db2.gz	VSICIECRBYHMGG-HHHXNRCGSA-N	0	0	425.576	6.391	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000034688514	556580887	/nfs/dbraw/zinc/58/08/87/556580887.db2.gz	AWIUKRRXXLKOBR-MSIOFZDNSA-N	0	0	448.910	5.015	50	30		IKEARN
O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21	ZINC000016156397	556585861	/nfs/dbraw/zinc/58/58/61/556585861.db2.gz	FQTBATMWPPXGOH-MAABLUSNSA-N	0	0	433.507	5.247	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c1C	ZINC000032971625	556589287	/nfs/dbraw/zinc/58/92/87/556589287.db2.gz	DGZLKGNFDYQBKB-UHFFFAOYSA-N	0	0	445.611	5.524	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)cc(C)c2)c1C	ZINC000032971696	556589502	/nfs/dbraw/zinc/58/95/02/556589502.db2.gz	LDSSMOBJDTVLMX-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032971764	556589571	/nfs/dbraw/zinc/58/95/71/556589571.db2.gz	KJBBWYZGGHQZOW-UHFFFAOYSA-N	0	0	445.611	5.658	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCc1c(C)nn(CC)c1C	ZINC000032972156	556590044	/nfs/dbraw/zinc/59/00/44/556590044.db2.gz	FIVCUIFKXLYTRX-UHFFFAOYSA-N	0	0	437.975	5.134	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(Cl)cc1)Nc1ccc(C(C)C)cc1	ZINC000032972267	556590078	/nfs/dbraw/zinc/59/00/78/556590078.db2.gz	NEZHXVYONBKOMK-UHFFFAOYSA-N	0	0	437.975	5.212	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccccc2Cl)Nc2cccc(C)c2C)c1C	ZINC000032972157	556590117	/nfs/dbraw/zinc/59/01/17/556590117.db2.gz	XQWBVNWUFOBROC-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1ccc(C(C)C)cc1	ZINC000032972560	556590977	/nfs/dbraw/zinc/59/09/77/556590977.db2.gz	JLPIYQCMOSZDOJ-UHFFFAOYSA-N	0	0	431.584	5.175	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1cc(C)cc(C)c1)Nc1cccc(Cl)c1C	ZINC000032972555	556591005	/nfs/dbraw/zinc/59/10/05/556591005.db2.gz	DEULWCAZSMUMCW-UHFFFAOYSA-N	0	0	437.975	5.014	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(SC)c2)c(C)n1	ZINC000032973000	556591984	/nfs/dbraw/zinc/59/19/84/556591984.db2.gz	MMOVAOHPZVONJU-UHFFFAOYSA-N	0	0	435.597	5.030	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cccc(Cl)c2)c(C)n1	ZINC000032972926	556592623	/nfs/dbraw/zinc/59/26/23/556592623.db2.gz	JSSLSCSMAHXZJE-UHFFFAOYSA-N	0	0	444.366	5.306	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972923	556592682	/nfs/dbraw/zinc/59/26/82/556592682.db2.gz	GUTFSFWULMNRDW-UHFFFAOYSA-N	0	0	449.574	5.571	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(C)c2C)c1C	ZINC000032973390	556594121	/nfs/dbraw/zinc/59/41/21/556594121.db2.gz	AJGLQSPMCGJZOF-UHFFFAOYSA-N	0	0	449.574	5.025	50	30		IKEARN
COc1ccc(Br)cc1/C=C1\S/C(=N/c2cccc(Cl)c2C)NC1=O	ZINC000016267655	556595919	/nfs/dbraw/zinc/59/59/19/556595919.db2.gz	RZJJOTLNKDOYAX-SXGWCWSVSA-N	0	0	437.746	5.311	50	30		IKEARN
CCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1	ZINC000016310142	556599361	/nfs/dbraw/zinc/59/93/61/556599361.db2.gz	WYIGXMWSNDTVFP-USHMODERSA-N	0	0	438.531	5.775	50	30		IKEARN
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2	ZINC000016346450	556601370	/nfs/dbraw/zinc/60/13/70/556601370.db2.gz	RJDAKOJTSQFYTN-CQSZACIVSA-N	0	0	436.364	5.143	50	30		IKEARN
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Cl)C1=C(CCCC1=O)N2	ZINC000016361193	556602344	/nfs/dbraw/zinc/60/23/44/556602344.db2.gz	PJJAFTPIZNPITC-KRWDZBQOSA-N	0	0	429.973	5.126	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984431	556603796	/nfs/dbraw/zinc/60/37/96/556603796.db2.gz	XJBPCTMWOFJVFV-UHFFFAOYSA-N	0	0	441.911	5.746	50	30		IKEARN
COc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984392	556604227	/nfs/dbraw/zinc/60/42/27/556604227.db2.gz	GIXRCUOMMVBGDZ-UHFFFAOYSA-N	0	0	443.883	5.137	50	30		IKEARN
CCc1cccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984366	556604251	/nfs/dbraw/zinc/60/42/51/556604251.db2.gz	YKUXOJMDQLAWQL-UHFFFAOYSA-N	0	0	437.492	5.046	50	30		IKEARN
Oc1ccc(Br)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F	ZINC000016384323	556604333	/nfs/dbraw/zinc/60/43/33/556604333.db2.gz	KTDKYDJHHFZYSI-QFSHWATDSA-N	0	0	431.105	5.176	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984338	556604310	/nfs/dbraw/zinc/60/43/10/556604310.db2.gz	KXVHLUCHUJYDQF-UHFFFAOYSA-N	0	0	435.520	5.907	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@@H](c1ccccc1C#N)N(C(C)=O)c1ccc(C)cc1-2	ZINC000032997459	556609284	/nfs/dbraw/zinc/60/92/84/556609284.db2.gz	IEABAEFDIMPRSQ-QHCPKHFHSA-N	0	0	445.548	5.055	50	30		IKEARN
C=CCN(C(=O)CSc1ccc(C(C)=O)cc1F)c1nc(-c2ccccc2)cs1	ZINC000032994587	556609461	/nfs/dbraw/zinc/60/94/61/556609461.db2.gz	UOWBIZMPPNOAPR-UHFFFAOYSA-N	0	0	426.538	5.463	50	30		IKEARN
O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\Cc2ccccc2)N1Cc1ccccc1	ZINC000016477870	556610986	/nfs/dbraw/zinc/61/09/86/556610986.db2.gz	SBCWKDXILIQATI-PZFZXBCHSA-N	0	0	434.948	5.718	50	30		IKEARN
Cc1ccc(-c2nc3ccccc3c(N=NCc3cc(Br)ccc3O)n2)cc1	ZINC000016667056	556621693	/nfs/dbraw/zinc/62/16/93/556621693.db2.gz	KWZVJWDOVIPXDJ-ZMOGYAJESA-N	0	0	433.309	5.519	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1	ZINC000005030889	556622887	/nfs/dbraw/zinc/62/28/87/556622887.db2.gz	KSYANNGOWZDSSO-AREMUKBSSA-N	0	0	433.596	6.077	50	30		IKEARN
CC(C)CCCCCOc1ccc(C(C)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033712516	556623890	/nfs/dbraw/zinc/62/38/90/556623890.db2.gz	VZPIYBMYVKNQKG-QJOMJCCJSA-N	0	0	428.489	5.934	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(CC)cc2)cc1	ZINC000016732246	556631595	/nfs/dbraw/zinc/63/15/95/556631595.db2.gz	KIHDCBXSHUIXFX-DEOSSOPVSA-N	0	0	443.499	5.185	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(CC)cc2)cc1	ZINC000016732249	556631670	/nfs/dbraw/zinc/63/16/70/556631670.db2.gz	KIHDCBXSHUIXFX-XMMPIXPASA-N	0	0	443.499	5.185	50	30		IKEARN
O=c1c(/C=N/Cc2ccccc2Cl)c(NCc2ccccc2Cl)nc2ccccn12	ZINC000016734006	556632429	/nfs/dbraw/zinc/63/24/29/556632429.db2.gz	KDEACMWERYGTRD-CVKSISIWSA-N	0	0	437.330	5.233	50	30		IKEARN
Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000016737285	556633960	/nfs/dbraw/zinc/63/39/60/556633960.db2.gz	QDHOQDLLPRIKRU-FQEVSTJZSA-N	0	0	436.533	5.255	50	30		IKEARN
COC(=O)c1ccc2c(c1)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(C)cc1)O2	ZINC000016737417	556633994	/nfs/dbraw/zinc/63/39/94/556633994.db2.gz	VJUIQCFHUDGWAP-IWIPYMOSSA-N	0	0	436.467	5.251	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@H]1c1ccc(C(C)C)cc1	ZINC000016741360	556635127	/nfs/dbraw/zinc/63/51/27/556635127.db2.gz	COEZEOKJFHLQMR-XMMPIXPASA-N	0	0	433.548	5.672	50	30		IKEARN
O=C(Nc1sc(N=NCc2cccs2)nc1-c1ccccc1)c1ccc(Cl)cc1	ZINC000016750598	556637124	/nfs/dbraw/zinc/63/71/24/556637124.db2.gz	UWVGQMIWKGBHTB-YDZHTSKRSA-N	0	0	438.965	6.223	50	30		IKEARN
CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779347	556641012	/nfs/dbraw/zinc/64/10/12/556641012.db2.gz	APMCBNXDEBYPDP-APPDUMDISA-N	0	0	429.611	5.231	50	30		IKEARN
Cc1ccc(-c2nc3cc(/N=C/c4c5ccccc5cc5ccccc54)ccc3o2)cc1C	ZINC000003113639	556642302	/nfs/dbraw/zinc/64/23/02/556642302.db2.gz	IRQQPESIJCBECP-FDAWAROLSA-N	0	0	426.519	8.169	50	30		IKEARN
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1	ZINC000016805796	556643636	/nfs/dbraw/zinc/64/36/36/556643636.db2.gz	SIHVLLOLDNWOII-XMMPIXPASA-N	0	0	445.490	5.393	50	30		IKEARN
CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2ccccc2)c1	ZINC000016805795	556643648	/nfs/dbraw/zinc/64/36/48/556643648.db2.gz	SIHVLLOLDNWOII-DEOSSOPVSA-N	0	0	445.490	5.393	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCc2ccccc2)[C@@H]1c1cccs1	ZINC000016806159	556643969	/nfs/dbraw/zinc/64/39/69/556643969.db2.gz	AWACMYWSLBVEDN-JOCHJYFZSA-N	0	0	429.497	5.315	50	30		IKEARN
CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OCCC)cc2)cc1	ZINC000100688221	556648974	/nfs/dbraw/zinc/64/89/74/556648974.db2.gz	KOTPUIPFXYWVOF-NHFJDJAPSA-N	0	0	441.641	5.823	50	30		IKEARN
COc1ccc(-c2sc(/N=C/c3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC	ZINC000017025235	556653226	/nfs/dbraw/zinc/65/32/26/556653226.db2.gz	UZBOQGXUHIEDSC-LQKURTRISA-N	0	0	444.560	5.713	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000017028005	556653551	/nfs/dbraw/zinc/65/35/51/556653551.db2.gz	AZRWCPUUKODWHN-JOCHJYFZSA-N	0	0	428.454	5.868	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])s1	ZINC000017042932	556653825	/nfs/dbraw/zinc/65/38/25/556653825.db2.gz	GBYGBVGDGOQLFP-NRFANRHFSA-N	0	0	439.537	5.455	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1	ZINC000017041240	556653906	/nfs/dbraw/zinc/65/39/06/556653906.db2.gz	HAQHFPKDKNJNHC-FQEVSTJZSA-N	0	0	447.535	5.487	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccccc1	ZINC000017044111	556654088	/nfs/dbraw/zinc/65/40/88/556654088.db2.gz	MMIBLOSSVCAZDX-WINIVTDRSA-N	0	0	426.491	5.746	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)c(Cl)c2)o1	ZINC000017056386	556654622	/nfs/dbraw/zinc/65/46/22/556654622.db2.gz	GYKFWZDWSXIVOD-IBGZPJMESA-N	0	0	443.286	5.068	50	30		IKEARN
CCOc1ccc(NC(=O)CSc2nc(-c3ccc(OCC)cc3)ccc2C#N)cc1	ZINC000033011066	556659149	/nfs/dbraw/zinc/65/91/49/556659149.db2.gz	UHTQFZNCFFMVNJ-UHFFFAOYSA-N	0	0	433.533	5.148	50	30		IKEARN
COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)ccc3OC)n2)cc1	ZINC000033011188	556659162	/nfs/dbraw/zinc/65/91/62/556659162.db2.gz	FUYSBSVFTKFDDO-UHFFFAOYSA-N	0	0	439.924	5.022	50	30		IKEARN
CC[C@H]1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)NC2CCCCC2)C1	ZINC000017096267	556660017	/nfs/dbraw/zinc/66/00/17/556660017.db2.gz	ZRNPRINBFFCLDN-WBILBPDKSA-N	0	0	429.029	6.730	50	30		IKEARN
C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc(C2CCCCC2)cc1	ZINC000017099452	556664658	/nfs/dbraw/zinc/66/46/58/556664658.db2.gz	LMOSHJHFJUSRRG-PXLXIMEGSA-N	0	0	435.387	5.199	50	30		IKEARN
C=C(C)COc1ccc(-c2nc(N)nc(C)c2Oc2ccccc2Br)c(O)c1	ZINC000011865073	556664697	/nfs/dbraw/zinc/66/46/97/556664697.db2.gz	INRPOLXZULZPLN-UHFFFAOYSA-N	0	0	442.313	5.250	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1	ZINC000011866181	556665897	/nfs/dbraw/zinc/66/58/97/556665897.db2.gz	FFTUHMVWENSXFN-FMCGGJTJSA-N	0	0	430.843	5.494	50	30	biogenic	IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1	ZINC000017161634	556670758	/nfs/dbraw/zinc/67/07/58/556670758.db2.gz	TYPNHNNGNDVJIU-NXUONHHFSA-N	0	0	441.398	5.801	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccccc1	ZINC000017242395	556674150	/nfs/dbraw/zinc/67/41/50/556674150.db2.gz	APLKEYLPLCHNJF-FQEVSTJZSA-N	0	0	443.572	5.675	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4F)nn3[C@H]2c2cccs2)C1	ZINC000017242669	556674167	/nfs/dbraw/zinc/67/41/67/556674167.db2.gz	HROHJEXCQGKFLP-IBGZPJMESA-N	0	0	440.569	5.429	50	30		IKEARN
O=C1C[C@@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1	ZINC000018087363	556683677	/nfs/dbraw/zinc/68/36/77/556683677.db2.gz	DMTGWMBPXZPIDN-HXUWFJFHSA-N	0	0	435.936	5.505	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N1C(=O)c3ccccc3[C@H]21	ZINC000018116176	556684080	/nfs/dbraw/zinc/68/40/80/556684080.db2.gz	MJWQZFQSWLNLBD-AREMUKBSSA-N	0	0	448.522	5.688	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000018137676	556684659	/nfs/dbraw/zinc/68/46/59/556684659.db2.gz	FCTUPJZLWWGATE-DCFHFQCYSA-N	0	0	426.491	5.746	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccs1	ZINC000018136978	556684743	/nfs/dbraw/zinc/68/47/43/556684743.db2.gz	BLCMSKCJGVKIDG-SANMLTNESA-N	0	0	442.584	6.134	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)cc1	ZINC000018143240	556684973	/nfs/dbraw/zinc/68/49/73/556684973.db2.gz	GDCZHXZFINBTRP-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=S)Nc1ccccc1)[C@H]2c1ccco1	ZINC000018148523	556684989	/nfs/dbraw/zinc/68/49/89/556684989.db2.gz	PSGCIEYNZHQEKN-DEOSSOPVSA-N	0	0	443.572	6.293	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000018172875	556685638	/nfs/dbraw/zinc/68/56/38/556685638.db2.gz	BQCCHOWCZWHBJU-RUZDIDTESA-N	0	0	434.536	5.257	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(C)C)c(OC)c1	ZINC000018180934	556685834	/nfs/dbraw/zinc/68/58/34/556685834.db2.gz	BNIZRPPVKJKMQP-RUZDIDTESA-N	0	0	448.563	5.503	50	30		IKEARN
Cc1cccc2oc(-c3cccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)c3)nc21	ZINC000003114304	556685987	/nfs/dbraw/zinc/68/59/87/556685987.db2.gz	IFNFDALZEXMZSV-FSJBWODESA-N	0	0	436.265	6.225	50	30		IKEARN
COc1ccc([C@@H]2Nc3ncc(Br)cc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000018244360	556687951	/nfs/dbraw/zinc/68/79/51/556687951.db2.gz	RVGOTZRJQBHRCH-IBGZPJMESA-N	0	0	428.330	5.075	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1Cl	ZINC000003115270	556689014	/nfs/dbraw/zinc/68/90/14/556689014.db2.gz	IRCZNOGGICZKBZ-OPEKNORGSA-N	0	0	431.706	7.214	50	30		IKEARN
Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Cl)c(Cl)c4)ccc3o2)c1	ZINC000003115285	556689128	/nfs/dbraw/zinc/68/91/28/556689128.db2.gz	GOGKZXXLCMKJCF-KIBLKLHPSA-N	0	0	436.125	7.859	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(C)(C)C)cc1	ZINC000018286675	556689329	/nfs/dbraw/zinc/68/93/29/556689329.db2.gz	VFTKHMOCXQDQJR-SANMLTNESA-N	0	0	444.619	6.783	50	30		IKEARN
COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1	ZINC000018323436	556689385	/nfs/dbraw/zinc/68/93/85/556689385.db2.gz	MPDSXYRJWFCSBN-QYBDOPJKSA-N	0	0	428.488	5.209	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2Cl)cc1	ZINC000018286051	556689423	/nfs/dbraw/zinc/68/94/23/556689423.db2.gz	HPNULZLDPIMLNF-QUGAMOGWSA-N	0	0	430.935	6.328	50	30		IKEARN
COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1	ZINC000003115291	556689487	/nfs/dbraw/zinc/68/94/87/556689487.db2.gz	VBEFIDLPHRSBIP-BRJLIKDPSA-N	0	0	425.271	6.339	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1	ZINC000018324217	556689579	/nfs/dbraw/zinc/68/95/79/556689579.db2.gz	MMJIPLSDWUQPEK-HHHXNRCGSA-N	0	0	445.607	6.086	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1	ZINC000138166225	556700316	/nfs/dbraw/zinc/70/03/16/556700316.db2.gz	QHSIPLRFUZZWRP-RGIAPHJHSA-N	0	0	431.532	5.096	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(SC)cc2)ccc1O	ZINC000033026446	556703162	/nfs/dbraw/zinc/70/31/62/556703162.db2.gz	ITOCUDZKPBQEBU-HJPURHCSSA-N	0	0	448.544	5.377	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O	ZINC000033026450	556703248	/nfs/dbraw/zinc/70/32/48/556703248.db2.gz	ITOCUDZKPBQEBU-QMHKHESXSA-N	0	0	448.544	5.377	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccccc3O)CC1=O)N2	ZINC000033026467	556703567	/nfs/dbraw/zinc/70/35/67/556703567.db2.gz	AKLUZVOIEKVLJU-YEJXKQKISA-N	0	0	441.314	5.954	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1cc3nccc(-c4ccc5ccccc5c4)n3n1)CCC2	ZINC000013644582	556705346	/nfs/dbraw/zinc/70/53/46/556705346.db2.gz	ZANZLRXUWKCTCU-UHFFFAOYSA-N	0	0	435.512	5.224	50	30		IKEARN
CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccccc3c2-c2ccc(C)cc2)cc1	ZINC000072314754	556705745	/nfs/dbraw/zinc/70/57/45/556705745.db2.gz	IAIRBFSTVDVFID-HMMYKYKNSA-N	0	0	434.583	7.261	50	30		IKEARN
CC1(C)CC(=O)[C@H]([C@@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1	ZINC000005180178	556721975	/nfs/dbraw/zinc/72/19/75/556721975.db2.gz	BSMWLMCESYEKFA-XXQZRLPRSA-N	0	0	426.560	6.061	50	30		IKEARN
CN(C)c1ccc(/C=C\C(=O)c2ccc3c4c2cccc4C(=O)N(c2ccccc2)C3=O)cc1	ZINC000033909355	556723726	/nfs/dbraw/zinc/72/37/26/556723726.db2.gz	XGEPQUCZSUSWEA-AQTBWJFISA-N	0	0	446.506	5.603	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019314561	556735648	/nfs/dbraw/zinc/73/56/48/556735648.db2.gz	SWWVFYHSSOWZMF-JOCHJYFZSA-N	0	0	438.524	5.075	50	30	in-vitro	IKEARN
O=C(C=CNc1cccc(-c2ccccc2NC=CC(=O)C(F)(F)F)c1)C(F)(F)F	ZINC000002313066	556760501	/nfs/dbraw/zinc/76/05/01/556760501.db2.gz	SJRVXUNODVGNTM-GFULKKFKSA-N	0	0	428.332	5.468	50	30		IKEARN
COc1ccc(-c2c(C#N)c(SCc3csc(C)n3)nc3c2C(=O)CC(C)(C)C3)cc1	ZINC000002502411	556761396	/nfs/dbraw/zinc/76/13/96/556761396.db2.gz	UTWSIFNTSMQSJF-UHFFFAOYSA-N	0	0	449.601	5.841	50	30		IKEARN
C[C@@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O	ZINC000002423686	556761458	/nfs/dbraw/zinc/76/14/58/556761458.db2.gz	RKESSTGBNYZSFV-NSHDSACASA-N	0	0	434.380	5.279	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccccc1)OCCCO4	ZINC000005353902	556767483	/nfs/dbraw/zinc/76/74/83/556767483.db2.gz	VRSUVUBTXIPLIS-NRFANRHFSA-N	0	0	427.544	5.488	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccco4)o3)sc2C1	ZINC000002396212	556799413	/nfs/dbraw/zinc/79/94/13/556799413.db2.gz	WELYEHZSADMFIF-LBPRGKRZSA-N	0	0	442.566	5.145	50	30		IKEARN
Cc1cccc(Nc2c3ccc(C)cc3nc(C(F)(F)C(F)(F)F)c2C(F)(F)F)c1	ZINC000003022631	556803497	/nfs/dbraw/zinc/80/34/97/556803497.db2.gz	HYNMNAPOKQFCSO-UHFFFAOYSA-N	0	0	434.330	7.268	50	30		IKEARN
CCCCCCCCn1c(SCc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1	ZINC000003220425	556805459	/nfs/dbraw/zinc/80/54/59/556805459.db2.gz	STVZTNFIUXBAFG-UHFFFAOYSA-N	0	0	448.463	7.905	50	30		IKEARN
Cc1ccc(Nc2nnc(SCC(=O)N(CCC#N)c3ccccc3F)s2)c(C)c1	ZINC000003318183	556809955	/nfs/dbraw/zinc/80/99/55/556809955.db2.gz	OJKASGLUBIQMBN-UHFFFAOYSA-N	0	0	441.557	5.077	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003117349	556827035	/nfs/dbraw/zinc/82/70/35/556827035.db2.gz	NNBXMQZZOPNONS-WSDLNYQXSA-N	0	0	425.784	5.126	50	30		IKEARN
c1ccc(C(c2ccccc2)N2CCN(N=C3c4ccccc4-c4ccccc43)CC2)cc1	ZINC000019626214	556831874	/nfs/dbraw/zinc/83/18/74/556831874.db2.gz	CUEMNBRDEUBXMQ-UHFFFAOYSA-N	0	0	429.567	5.827	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1	ZINC000019639975	556836934	/nfs/dbraw/zinc/83/69/34/556836934.db2.gz	ITJXPPUKBJZXDH-NRFANRHFSA-N	0	0	444.369	5.293	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(CCCC2=O)N1	ZINC000019639968	556836939	/nfs/dbraw/zinc/83/69/39/556836939.db2.gz	ITJXPPUKBJZXDH-OAQYLSRUSA-N	0	0	444.369	5.293	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019643581	556838400	/nfs/dbraw/zinc/83/84/00/556838400.db2.gz	GSKDVKZRDSPPOD-BCHFMIIMSA-N	0	0	445.534	5.673	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C	ZINC000019643811	556838521	/nfs/dbraw/zinc/83/85/21/556838521.db2.gz	PVKTZYSQXFLDJZ-FQRUVTKNSA-N	0	0	445.559	5.399	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C	ZINC000019643808	556838524	/nfs/dbraw/zinc/83/85/24/556838524.db2.gz	PVKTZYSQXFLDJZ-RXFWQSSRSA-N	0	0	445.559	5.399	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000019643790	556838544	/nfs/dbraw/zinc/83/85/44/556838544.db2.gz	LYBMJVAFISFUSN-IBVKSMDESA-N	0	0	445.559	5.256	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019643802	556838558	/nfs/dbraw/zinc/83/85/58/556838558.db2.gz	MABDESRNHXMABY-RUZDIDTESA-N	0	0	445.559	5.085	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C	ZINC000019643813	556838775	/nfs/dbraw/zinc/83/87/75/556838775.db2.gz	PVKTZYSQXFLDJZ-IBVKSMDESA-N	0	0	445.559	5.399	50	30		IKEARN
CCCCCCCN1C(=O)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccccc2)C1(C)C	ZINC000097949747	556840677	/nfs/dbraw/zinc/84/06/77/556840677.db2.gz	ZBSPOWLAHFWGDR-QFIPXVFZSA-N	0	0	438.572	5.927	50	30		IKEARN
FC(F)(F)C(C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1)C(F)(F)F	ZINC000097951728	556848613	/nfs/dbraw/zinc/84/86/13/556848613.db2.gz	RLTYASMTXHJTSN-UHFFFAOYSA-N	0	0	446.191	5.424	50	30		IKEARN
CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@H]1c1ccccc1	ZINC000097951295	556848624	/nfs/dbraw/zinc/84/86/24/556848624.db2.gz	ZVXXFMFDGXVLQZ-AREMUKBSSA-N	0	0	441.656	7.452	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1	ZINC000097953963	556850205	/nfs/dbraw/zinc/85/02/05/556850205.db2.gz	JFSCPOMFUMYERF-DEOSSOPVSA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1	ZINC000097954681	556850403	/nfs/dbraw/zinc/85/04/03/556850403.db2.gz	ZIAWBIRTRVUACD-DEOSSOPVSA-N	0	0	445.651	7.396	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000097954709	556850585	/nfs/dbraw/zinc/85/05/85/556850585.db2.gz	LNLFGIVGWOPUEE-JOCHJYFZSA-N	0	0	447.623	6.706	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1	ZINC000033097080	556858272	/nfs/dbraw/zinc/85/82/72/556858272.db2.gz	ZMUWKRLESJFUPP-KCENJROVSA-N	0	0	447.435	6.985	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1	ZINC000033097085	556858343	/nfs/dbraw/zinc/85/83/43/556858343.db2.gz	TZKRCBPRLXRXGF-FHLIKIBJSA-N	0	0	449.668	6.525	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1	ZINC000033154789	556878883	/nfs/dbraw/zinc/87/88/83/556878883.db2.gz	LKGXJJIBINYLSI-YSMPRRRNSA-N	0	0	442.523	5.089	50	30		IKEARN
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@H]2c3ccccc3C=CN21	ZINC000016034114	556892224	/nfs/dbraw/zinc/89/22/24/556892224.db2.gz	SDLIEYULIJAVBE-UODIDJSMSA-N	0	0	431.539	5.982	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1OC(C)C	ZINC000019761824	556905645	/nfs/dbraw/zinc/90/56/45/556905645.db2.gz	DFPGCFXBBZYONE-KBMIEXCESA-N	0	0	431.532	5.008	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019762437	556906879	/nfs/dbraw/zinc/90/68/79/556906879.db2.gz	YWGBWEAQQLRIII-RBJSKKJNSA-N	0	0	449.550	5.792	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848695	556930364	/nfs/dbraw/zinc/93/03/64/556930364.db2.gz	VWRLBXFGNNQUOS-XMMPIXPASA-N	0	0	449.978	5.730	50	30		IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848647	556930466	/nfs/dbraw/zinc/93/04/66/556930466.db2.gz	CUCLAAWMNHGELU-DEOSSOPVSA-N	0	0	449.522	5.052	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000019867068	556934677	/nfs/dbraw/zinc/93/46/77/556934677.db2.gz	BVHGKMCFFRAWEG-DFBJGRDBSA-N	0	0	431.532	5.008	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@@H]2CCCO2)C1=O	ZINC000019881091	556936947	/nfs/dbraw/zinc/93/69/47/556936947.db2.gz	SYSLHZGKUNLUIS-GRKNNNIHSA-N	0	0	442.968	5.522	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1	ZINC000019924560	556944631	/nfs/dbraw/zinc/94/46/31/556944631.db2.gz	PFEWZTWVQXTLCZ-VHAYKOJPSA-N	0	0	430.980	6.471	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000019990636	556956740	/nfs/dbraw/zinc/95/67/40/556956740.db2.gz	KLNSCUYDKJOSQS-OAQYLSRUSA-N	0	0	434.363	5.837	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1	ZINC000019990640	556956763	/nfs/dbraw/zinc/95/67/63/556956763.db2.gz	KLNSCUYDKJOSQS-NRFANRHFSA-N	0	0	434.363	5.837	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)CSc1nc(C)cc(C)c1C#N	ZINC000097956262	556977173	/nfs/dbraw/zinc/97/71/73/556977173.db2.gz	FFDOOHRPIZHWIL-UHFFFAOYSA-N	0	0	445.717	7.260	50	30		IKEARN
O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000020074544	556978590	/nfs/dbraw/zinc/97/85/90/556978590.db2.gz	ZBLQYZPEGBDVHL-ZVHZXABRSA-N	0	0	444.472	5.384	50	30		IKEARN
C[C@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1	ZINC000072427664	556979845	/nfs/dbraw/zinc/97/98/45/556979845.db2.gz	XUNFIZUMKPJMPK-VIFPVBQESA-N	0	0	426.192	5.761	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)cc1	ZINC000033268241	556982639	/nfs/dbraw/zinc/98/26/39/556982639.db2.gz	NXUQUBQNTFOZOO-HSZRJFAPSA-N	0	0	444.510	5.241	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)cc1	ZINC000097959767	556984846	/nfs/dbraw/zinc/98/48/46/556984846.db2.gz	YZMMWNLFMLYJHN-MOHJPFBDSA-N	0	0	436.621	6.934	50	30		IKEARN
C=CCc1cccc(C=NNc2nnc(SCc3ccc(Cl)c(Cl)c3)[nH]2)c1O	ZINC000020161204	556993754	/nfs/dbraw/zinc/99/37/54/556993754.db2.gz	XYWCRYDODDMEHW-LSHDLFTRSA-N	0	0	434.352	5.284	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21	ZINC000097998495	557004161	/nfs/dbraw/zinc/00/41/61/557004161.db2.gz	FQGWXLBTKCQOBM-UHFFFAOYSA-N	0	0	444.579	6.290	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000097998516	557005932	/nfs/dbraw/zinc/00/59/32/557005932.db2.gz	NOKCDFZTIWJEFQ-UHFFFAOYSA-N	0	0	444.579	6.041	50	30		IKEARN
Cc1cc(C)cc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000020345344	557008787	/nfs/dbraw/zinc/00/87/87/557008787.db2.gz	VAJSXTWRMFMWNY-MHZLTWQESA-N	0	0	441.531	5.515	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1COc1ccccc1C1CCCCC1	ZINC000096936286	557009513	/nfs/dbraw/zinc/00/95/13/557009513.db2.gz	YLLNITIABQGAHU-BOPFTXTBSA-N	0	0	442.555	6.924	50	30		IKEARN
Cc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12	ZINC000032943052	557011936	/nfs/dbraw/zinc/01/19/36/557011936.db2.gz	QDRHIDRJYZBWOD-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12	ZINC000032943055	557015429	/nfs/dbraw/zinc/01/54/29/557015429.db2.gz	KNXBEDDWJTXHAO-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12	ZINC000032943248	557017878	/nfs/dbraw/zinc/01/78/78/557017878.db2.gz	DJJFDPWKVNNESB-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
COc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943274	557018108	/nfs/dbraw/zinc/01/81/08/557018108.db2.gz	DSPFBZOGGXSJRP-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCCc1c[nH]c2ccccc12	ZINC000032943373	557018438	/nfs/dbraw/zinc/01/84/38/557018438.db2.gz	PYZOEESJVHDPER-UHFFFAOYSA-N	0	0	444.966	5.824	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(C)c2)c1	ZINC000098022875	557028237	/nfs/dbraw/zinc/02/82/37/557028237.db2.gz	ZZGAGWVMZOCRLO-SANMLTNESA-N	0	0	438.637	6.771	50	30		IKEARN
N#Cc1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153750	557028398	/nfs/dbraw/zinc/02/83/98/557028398.db2.gz	AHBYUMUPRZIPJH-UHFFFAOYSA-N	0	0	442.371	5.737	50	30		IKEARN
CC(=O)N(c1nc(COC(=O)c2ccc(C#N)cc2)cs1)c1cccc(C(F)(F)F)c1	ZINC000010807388	557029020	/nfs/dbraw/zinc/02/90/20/557029020.db2.gz	OCYUWJOOBVNNIR-UHFFFAOYSA-N	0	0	445.422	5.075	50	30		IKEARN
CCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccccc2OCC)c1	ZINC000098021394	557029050	/nfs/dbraw/zinc/02/90/50/557029050.db2.gz	RDTAJBYGPLLMLO-VWLOTQADSA-N	0	0	440.609	6.163	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(F)cc2)c1	ZINC000098021552	557029448	/nfs/dbraw/zinc/02/94/48/557029448.db2.gz	HQEDDAJEWFFFQV-XMMPIXPASA-N	0	0	428.573	6.293	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)cc2)c1	ZINC000098021541	557029589	/nfs/dbraw/zinc/02/95/89/557029589.db2.gz	FHPSOKBBPOOFQB-AREMUKBSSA-N	0	0	438.637	6.853	50	30		IKEARN
O=C(N=C(NCc1ccccn1)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1	ZINC000046126861	557038498	/nfs/dbraw/zinc/03/84/98/557038498.db2.gz	PCRXZFGPPNKQGV-UHFFFAOYSA-N	0	0	432.833	5.152	50	30		IKEARN
CCOC(=O)c1c2c(C#N)c(CSc3nc4ccccc4o3)cn2c2ccccc2c1C	ZINC000048229473	557048565	/nfs/dbraw/zinc/04/85/65/557048565.db2.gz	COPIDZZQCVKSRX-UHFFFAOYSA-N	0	0	441.512	5.883	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccccc2S1(=O)=O	ZINC000033271920	557050418	/nfs/dbraw/zinc/05/04/18/557050418.db2.gz	BEINWOVCBZOJNX-UHFFFAOYSA-N	0	0	438.936	5.262	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccccc2S1(=O)=O	ZINC000033271889	557050451	/nfs/dbraw/zinc/05/04/51/557050451.db2.gz	RVCWKUFVEABQDS-UHFFFAOYSA-N	0	0	432.545	5.424	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3c(C)cccc3CC)cc2-c2ccccc2S1(=O)=O	ZINC000033271935	557050482	/nfs/dbraw/zinc/05/04/82/557050482.db2.gz	VCHOVVKPRRHUFQ-UHFFFAOYSA-N	0	0	432.545	5.171	50	30		IKEARN
CC(=O)/N=C1\NC(=O)/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1	ZINC000033285995	557063915	/nfs/dbraw/zinc/06/39/15/557063915.db2.gz	JOTJXTUQXLFDJK-UFWORHAWSA-N	0	0	444.343	5.103	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cccc(OCc3nnc(-c4ccc(Cl)cc4)o3)c2)cc1	ZINC000033307393	557086834	/nfs/dbraw/zinc/08/68/34/557086834.db2.gz	LFKXDHLJOBKMJR-UHFFFAOYSA-N	0	0	430.851	5.093	50	30		IKEARN
Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@@]1(C)c1ccccn1	ZINC000004763288	557094373	/nfs/dbraw/zinc/09/43/73/557094373.db2.gz	BTVFTQFAISVIFA-ZYPBBJIESA-N	0	0	439.437	5.632	50	30		IKEARN
CCOc1ccc2cc(/C=C\C(=O)c3c4ccccc4cc4ccccc43)c(Cl)nc2c1	ZINC000097601864	557096143	/nfs/dbraw/zinc/09/61/43/557096143.db2.gz	WLTUYJLAJXFZAF-OWBHPGMISA-N	0	0	437.926	7.489	50	30		IKEARN
COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000033324919	557106915	/nfs/dbraw/zinc/10/69/15/557106915.db2.gz	FUGDOBUCZVYHSV-NYHFZMIOSA-N	0	0	436.895	5.309	50	30		IKEARN
COc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1O	ZINC000033324917	557106928	/nfs/dbraw/zinc/10/69/28/557106928.db2.gz	FUGDOBUCZVYHSV-QRQCRPRQSA-N	0	0	436.895	5.309	50	30		IKEARN
COc1cc(/C=C(\c2nc3ccccc3[nH]2)c2nc3ccccc3s2)ccc1OCC#N	ZINC000023217663	557113550	/nfs/dbraw/zinc/11/35/50/557113550.db2.gz	RSXUDLPJLIXKTL-SAPNQHFASA-N	0	0	438.512	5.672	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1	ZINC000002639467	557119342	/nfs/dbraw/zinc/11/93/42/557119342.db2.gz	UKQMPXCZCBOSGS-UHFFFAOYSA-N	0	0	426.545	5.529	50	30		IKEARN
COc1ccc(OC)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)c1	ZINC000012250951	557122330	/nfs/dbraw/zinc/12/23/30/557122330.db2.gz	ZOTCRRYIQODVFB-UHFFFAOYSA-N	0	0	439.924	5.022	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)cc3)C2=O)cc1OC	ZINC000033348751	557123252	/nfs/dbraw/zinc/12/32/52/557123252.db2.gz	YCRSQGDLUVZWJE-UNOMPAQXSA-N	0	0	430.913	5.019	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3Cl)c2)SC1=S	ZINC000098087073	557123543	/nfs/dbraw/zinc/12/35/43/557123543.db2.gz	HHWZJVZFFDQEHR-UNOMPAQXSA-N	0	0	431.966	5.315	50	30		IKEARN
O=S(=O)(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)c1ccccc1	ZINC000098086649	557123570	/nfs/dbraw/zinc/12/35/70/557123570.db2.gz	YHZLNUVJYSNEOL-KOEQRZSOSA-N	0	0	432.501	5.301	50	30		IKEARN
O=C(COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1	ZINC000098086647	557123589	/nfs/dbraw/zinc/12/35/89/557123589.db2.gz	SOMWYUVJROUZRS-VUTHCHCSSA-N	0	0	436.511	5.925	50	30		IKEARN
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1C	ZINC000606422407	557125065	/nfs/dbraw/zinc/12/50/65/557125065.db2.gz	XCOQGKATKGKZMC-UHFFFAOYSA-N	0	0	441.535	5.807	50	30		IKEARN
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNc2oc(C)nc2C#N)cc1F	ZINC000606422339	557125125	/nfs/dbraw/zinc/12/51/25/557125125.db2.gz	OERCDBOYKUASKF-UHFFFAOYSA-N	0	0	445.498	5.638	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000033349371	557127769	/nfs/dbraw/zinc/12/77/69/557127769.db2.gz	XFGBGNKWVWVKLQ-LICLKQGHSA-N	0	0	436.316	5.808	50	30		IKEARN
COc1ccc(/C=C2/CCc3ccccc3C2=O)cc1COc1ccc(NC(C)=O)cc1	ZINC000033352232	557128102	/nfs/dbraw/zinc/12/81/02/557128102.db2.gz	SRHPYMJSPOOPMI-QNGOZBTKSA-N	0	0	427.500	5.445	50	30		IKEARN
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1	ZINC000000669280	557131902	/nfs/dbraw/zinc/13/19/02/557131902.db2.gz	DSDHDHWRLVRSFP-UHFFFAOYSA-N	0	0	448.379	5.114	50	30		IKEARN
COc1cc(C)ccc1C(=O)/C=C/c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	ZINC000024747669	557132914	/nfs/dbraw/zinc/13/29/14/557132914.db2.gz	LSVATVNKVQALDL-CSKARUKUSA-N	0	0	426.925	5.694	50	30		IKEARN
CSc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000676275	557134065	/nfs/dbraw/zinc/13/40/65/557134065.db2.gz	HZTRSTRWVNEPOR-DEOSSOPVSA-N	0	0	446.616	5.960	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)c1	ZINC000000705786	557140053	/nfs/dbraw/zinc/14/00/53/557140053.db2.gz	SYFZHVLMBAGYCL-UHFFFAOYSA-N	0	0	447.610	6.450	50	30		IKEARN
COc1cccc(-c2n[n-]c(=S)n2N=Cc2ccc(OCc3ccccc3)c(OC)c2)c1	ZINC000009348149	557142878	/nfs/dbraw/zinc/14/28/78/557142878.db2.gz	ZHPSZZSUZUNKQM-MFKUBSTISA-N	0	0	446.532	5.086	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2	ZINC000000714506	557147769	/nfs/dbraw/zinc/14/77/69/557147769.db2.gz	NCBBMZHTJFJXIK-RUZDIDTESA-N	0	0	427.500	5.887	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl	ZINC000016247900	557148010	/nfs/dbraw/zinc/14/80/10/557148010.db2.gz	GFRHSMQNJXCAJM-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000717358	557148475	/nfs/dbraw/zinc/14/84/75/557148475.db2.gz	WODUYBBJFUQHIG-XMMPIXPASA-N	0	0	442.515	5.369	50	30		IKEARN
N#Cc1ccc(Oc2ccccc2N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)cc1	ZINC000000725808	557154668	/nfs/dbraw/zinc/15/46/68/557154668.db2.gz	DATAOCYNVUVKBW-UHFFFAOYSA-N	0	0	444.446	5.382	50	30		IKEARN
Cc1ccc(-c2nn(C)c(N)c2N=Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000016949253	557158340	/nfs/dbraw/zinc/15/83/40/557158340.db2.gz	SZTVFBRANHQPQW-NJZZXSBJSA-N	0	0	427.352	5.127	50	30		IKEARN
O=C(O/N=C(/Cc1ccccc1)C(F)(F)F)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000095704682	557159862	/nfs/dbraw/zinc/15/98/62/557159862.db2.gz	CQPGCUFKSMXHIQ-MUXKCCDJSA-N	0	0	443.265	6.042	50	30		IKEARN
Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)n1	ZINC000000755433	557167982	/nfs/dbraw/zinc/16/79/82/557167982.db2.gz	BKOKBSOMVXXOEB-UHFFFAOYSA-N	0	0	448.548	5.734	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3	ZINC000000752719	557168655	/nfs/dbraw/zinc/16/86/55/557168655.db2.gz	BKIANYNUNSXZJI-UHFFFAOYSA-N	0	0	426.607	5.220	50	30		IKEARN
Cn1c2ccc([C@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2n(C)c1=O	ZINC000000756560	557170140	/nfs/dbraw/zinc/17/01/40/557170140.db2.gz	ZXFAIFYZBLBLBA-AREMUKBSSA-N	0	0	437.543	5.340	50	30		IKEARN
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccco2)nc1SCC(=O)Oc1ccccc1	ZINC000000756966	557170432	/nfs/dbraw/zinc/17/04/32/557170432.db2.gz	KIJKYTUEAWOYOQ-UHFFFAOYSA-N	0	0	430.460	5.717	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC	ZINC000000781128	557176411	/nfs/dbraw/zinc/17/64/11/557176411.db2.gz	AMBPRWLLGRGDJA-WTYVLRPYSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(C)c2)cc1OC	ZINC000000781126	557176415	/nfs/dbraw/zinc/17/64/15/557176415.db2.gz	AMBPRWLLGRGDJA-PIIWDFAUSA-N	0	0	440.543	5.992	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C	ZINC000009261537	557184335	/nfs/dbraw/zinc/18/43/35/557184335.db2.gz	CWDMSIQLYQLERE-FQEVSTJZSA-N	0	0	441.000	5.537	50	30		IKEARN
C=CCNC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1	ZINC000100825748	557189829	/nfs/dbraw/zinc/18/98/29/557189829.db2.gz	BIPIQBZJHZFACR-CFBLSMTOSA-N	0	0	432.545	5.021	50	30		IKEARN
O=C1c2c(ccc(Br)c2Cl)NC1=CNc1ccc(Br)cc1	ZINC000100833216	557190685	/nfs/dbraw/zinc/19/06/85/557190685.db2.gz	RPJMHQHFPUUBIR-KPKJPENVSA-N	0	0	428.511	5.427	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1	ZINC000100840844	557190915	/nfs/dbraw/zinc/19/09/15/557190915.db2.gz	LLUDDHWESILQNA-GZCDXWOBSA-N	0	0	430.964	7.704	50	30		IKEARN
COc1ccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)cc1	ZINC000100846213	557191803	/nfs/dbraw/zinc/19/18/03/557191803.db2.gz	WIBHHSFZORHTGP-MFKUBSTISA-N	0	0	431.400	5.070	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1	ZINC000100851666	557191816	/nfs/dbraw/zinc/19/18/16/557191816.db2.gz	CZARGXPMJOQSJW-JWGURIENSA-N	0	0	441.618	6.537	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1	ZINC000100856773	557192749	/nfs/dbraw/zinc/19/27/49/557192749.db2.gz	OERNSJQCJYSDMU-NKFKGCMQSA-N	0	0	439.646	7.140	50	30		IKEARN
C=CC/N=C(\c1ccc(C)cc1)n1c(=S)nc(-c2ccc(C)cc2)n(CC=C)c1=S	ZINC000100862437	557193198	/nfs/dbraw/zinc/19/31/98/557193198.db2.gz	HNNMJZBHAKLUEC-NJNXFGOHSA-N	0	0	432.618	6.094	50	30		IKEARN
COc1ccc(C[NH+]=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1	ZINC000096288152	557194233	/nfs/dbraw/zinc/19/42/33/557194233.db2.gz	GRXOUUVCSLNEFI-WGOQTCKBSA-N	0	0	440.528	5.482	50	30		IKEARN
CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@H]3COCC=C3C)cc2)cc1	ZINC000100867999	557195047	/nfs/dbraw/zinc/19/50/47/557195047.db2.gz	PJJHGXVGZRWLMN-ROJZAWDXSA-N	0	0	449.635	7.681	50	30		IKEARN
CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1	ZINC000100886815	557198305	/nfs/dbraw/zinc/19/83/05/557198305.db2.gz	SDTKHWMFHXSCKR-HLYLYWOTSA-N	0	0	435.608	7.291	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccccc3Cl)C12	ZINC000096319730	557199532	/nfs/dbraw/zinc/19/95/32/557199532.db2.gz	ZANBSNHVQUHHKS-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1cc(C)cc(NC=Cc2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1	ZINC000100922335	557202032	/nfs/dbraw/zinc/20/20/32/557202032.db2.gz	YVRRLGLZKDJPAI-VAWYXSNFSA-N	0	0	445.497	6.670	50	30		IKEARN
CC/N=C1/S/C(=C\c2c(OCc3ccccc3C#N)ccc3ccccc32)C(=O)N1CC	ZINC000096793089	557205575	/nfs/dbraw/zinc/20/55/75/557205575.db2.gz	OUIYCYOKXUBCCD-IIZUOHISSA-N	0	0	441.556	5.603	50	30		IKEARN
C=CCN1C(=O)[C@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1	ZINC000011612140	557208616	/nfs/dbraw/zinc/20/86/16/557208616.db2.gz	PZZFPISBOBBHCJ-UZHBQURLSA-N	0	0	448.375	5.065	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1	ZINC000011614472	557208934	/nfs/dbraw/zinc/20/89/34/557208934.db2.gz	KOCPPQOGKJFGLW-YTDNHQLISA-N	0	0	426.428	6.072	50	30		IKEARN
O=c1[nH]c2ccccc2cc1C=NNc1nc2ccc(Cl)cc2c(-c2ccccc2)n1	ZINC000011617458	557212433	/nfs/dbraw/zinc/21/24/33/557212433.db2.gz	BXODHCGWTZBGSM-VULFUBBASA-N	0	0	425.879	5.238	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1	ZINC000025558058	557214099	/nfs/dbraw/zinc/21/40/99/557214099.db2.gz	YCYQULDYTBVOSU-VGOFMYFVSA-N	0	0	436.529	5.284	50	30		IKEARN
CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N/c1ccc2c(c1)Cc1ccccc1-2	ZINC000100049992	557215055	/nfs/dbraw/zinc/21/50/55/557215055.db2.gz	LBSYYJRAQHJKTH-PNOGMODKSA-N	0	0	430.507	6.287	50	30		IKEARN
CC(C)CC(=O)N[C@H](Oc1ccc(C=NNc2ccccc2)cc1)C(Cl)(Cl)Cl	ZINC000025580142	557215976	/nfs/dbraw/zinc/21/59/76/557215976.db2.gz	UYHXWYVNRQDRFM-NZYROCMPSA-N	0	0	442.774	5.370	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)S/C1=N/c1ccc(OC)cc1	ZINC000097466872	557218918	/nfs/dbraw/zinc/21/89/18/557218918.db2.gz	FSAKZRQTWREXPL-CFDZAGTRSA-N	0	0	447.354	5.177	50	30		IKEARN
CCCCCCCCOc1ccc(CN=Nc2nnnn2-c2cccc3ccccc32)cc1	ZINC000100060910	557220505	/nfs/dbraw/zinc/22/05/05/557220505.db2.gz	JXVUMQAQZSXBEE-NHFJDJAPSA-N	0	0	442.567	6.001	50	30		IKEARN
CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1	ZINC000025761160	557224565	/nfs/dbraw/zinc/22/45/65/557224565.db2.gz	WGSNOXYOCARBGX-MKFXEVHTSA-N	0	0	427.158	6.282	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccccc1)c1ccccc1	ZINC000101075852	557225696	/nfs/dbraw/zinc/22/56/96/557225696.db2.gz	CUZHAURJCHYASZ-NHFXJNLRSA-N	0	0	434.289	5.075	50	30		IKEARN
Cc1csc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)n1	ZINC000018026056	557228928	/nfs/dbraw/zinc/22/89/28/557228928.db2.gz	CZJZKXPUDLHPHM-UHFFFAOYSA-N	0	0	440.497	5.196	50	30		IKEARN
CCCCCCC[NH+]=C(CC)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000018033609	557230293	/nfs/dbraw/zinc/23/02/93/557230293.db2.gz	SAVMAVGCQZBMKQ-AFUMVMLFSA-N	0	0	438.519	5.964	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@H](c3ccc(Cl)cc3)C12	ZINC000097964546	557230955	/nfs/dbraw/zinc/23/09/55/557230955.db2.gz	XWQOACQKCFUJMI-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1	ZINC000011650704	557231170	/nfs/dbraw/zinc/23/11/70/557231170.db2.gz	QIRLOZDGVOFQTL-LJQANCHMSA-N	0	0	448.573	5.347	50	30		IKEARN
CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1	ZINC000097994903	557231955	/nfs/dbraw/zinc/23/19/55/557231955.db2.gz	DTFHOGGFOHRBSO-JOCHJYFZSA-N	0	0	448.563	5.227	50	30		IKEARN
CCCCCCCc1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1	ZINC000097994902	557231977	/nfs/dbraw/zinc/23/19/77/557231977.db2.gz	DTFHOGGFOHRBSO-QFIPXVFZSA-N	0	0	448.563	5.227	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000018107293	557237304	/nfs/dbraw/zinc/23/73/04/557237304.db2.gz	WODPAPKCXDYOQJ-DNOBIOAJSA-N	0	0	444.531	6.354	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100006829	557237324	/nfs/dbraw/zinc/23/73/24/557237324.db2.gz	DQTUPAIZFSEFNI-LJQANCHMSA-N	0	0	437.363	5.853	50	30		IKEARN
CCCCn1c2ccccc2nc1/N=C/c1ccccc1NS(=O)(=O)c1ccc(C)cc1	ZINC000018120939	557238354	/nfs/dbraw/zinc/23/83/54/557238354.db2.gz	LJOIKMBDMABBKI-NLRVBDNBSA-N	0	0	446.576	5.696	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(I)cc2)S/C1=N/c1ccccc1	ZINC000100062701	557239103	/nfs/dbraw/zinc/23/91/03/557239103.db2.gz	WHFMYQWZAVJVBL-ZFAMVZCKSA-N	0	0	446.313	5.081	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000100127305	557241706	/nfs/dbraw/zinc/24/17/06/557241706.db2.gz	CTKAJFWUYWTFMS-OSPHWJPCSA-N	0	0	449.572	5.301	50	30		IKEARN
CO/C(=N/[C@@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1	ZINC000018159049	557243904	/nfs/dbraw/zinc/24/39/04/557243904.db2.gz	NTSSBJCZIZYUSP-PFRBSUFTSA-N	0	0	430.788	5.071	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2CCc2ccccc2)cc1	ZINC000018190270	557246273	/nfs/dbraw/zinc/24/62/73/557246273.db2.gz	PURNNGBZHLCNJK-NKDOTSDESA-N	0	0	441.600	5.908	50	30		IKEARN
CSc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000018195210	557247671	/nfs/dbraw/zinc/24/76/71/557247671.db2.gz	GHICSDMMNMNMKW-HXUWFJFHSA-N	0	0	431.561	5.088	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196237	557247997	/nfs/dbraw/zinc/24/79/97/557247997.db2.gz	JIBVDMOFOBRWAP-LFVRLGFBSA-N	0	0	435.932	6.088	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2	ZINC000018196916	557248320	/nfs/dbraw/zinc/24/83/20/557248320.db2.gz	DPPKVWONRSMZNE-MHZLTWQESA-N	0	0	441.527	5.847	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(CCCC1=O)O2	ZINC000018196544	557248321	/nfs/dbraw/zinc/24/83/21/557248321.db2.gz	TUENUWCCBNPJGB-JOCHJYFZSA-N	0	0	439.342	6.078	50	30		IKEARN
CC(C)(C)c1cc([C@@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(C(C)(C)C)c1O	ZINC000018200342	557249097	/nfs/dbraw/zinc/24/90/97/557249097.db2.gz	AABBCWMDIMVUNO-XMMPIXPASA-N	0	0	447.575	6.280	50	30		IKEARN
Cc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)s1	ZINC000018200818	557249364	/nfs/dbraw/zinc/24/93/64/557249364.db2.gz	DWXRYRSWBFAUSL-QRQCRPRQSA-N	0	0	443.528	5.087	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018199734	557251081	/nfs/dbraw/zinc/25/10/81/557251081.db2.gz	BSZSZVHMRDROBO-KOSHJBKYSA-N	0	0	438.556	5.595	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018199725	557251093	/nfs/dbraw/zinc/25/10/93/557251093.db2.gz	VLYFPWGBPONZCI-MHECFPHRSA-N	0	0	438.556	5.595	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@@H]3c2ccccc2Cl)cc1OC	ZINC000018199313	557251185	/nfs/dbraw/zinc/25/11/85/557251185.db2.gz	FGWIEEWJNLXGFK-WNSKOXEYSA-N	0	0	449.938	5.347	50	30		IKEARN
COc1ccc(CN2C(=O)/C(=C/c3c[nH]c4ccccc34)S/C2=N/c2ccccc2)cc1	ZINC000100236185	557253848	/nfs/dbraw/zinc/25/38/48/557253848.db2.gz	PXCYRMCBCGIPEI-IIZUOHISSA-N	0	0	439.540	5.981	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2cccc(OC)c2OC)c2nc3ccccc3s2)cc1	ZINC000027018242	557254561	/nfs/dbraw/zinc/25/45/61/557254561.db2.gz	WRYNQFBHUANZOU-CAPFRKAQSA-N	0	0	445.540	6.136	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1	ZINC000101104140	557255622	/nfs/dbraw/zinc/25/56/22/557255622.db2.gz	RTKMTWAHZZSDBE-NHFXJNLRSA-N	0	0	434.289	5.075	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1	ZINC000100259569	557256074	/nfs/dbraw/zinc/25/60/74/557256074.db2.gz	CETBOSDRFADZJF-LTUYXDACSA-N	0	0	445.588	6.117	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(Br)c2)cc1	ZINC000100284945	557256518	/nfs/dbraw/zinc/25/65/18/557256518.db2.gz	JUGUYCBWOZLTCY-UHFFFAOYSA-N	0	0	447.417	7.613	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2ccccc2n1	ZINC000000816366	557257288	/nfs/dbraw/zinc/25/72/88/557257288.db2.gz	NYYUMKZGTCIDAU-UHFFFAOYSA-N	0	0	435.940	5.064	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Oc1ccc2c(C)cc(=O)oc2c1	ZINC000100307152	557257402	/nfs/dbraw/zinc/25/74/02/557257402.db2.gz	QOIJAZYHGUNKLA-UHFFFAOYSA-N	0	0	442.640	8.268	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000100345971	557258069	/nfs/dbraw/zinc/25/80/69/557258069.db2.gz	JUPPCYMDCKUKNV-VLSFKVKESA-N	0	0	429.447	5.017	50	30		IKEARN
CCCCCCCCCCCC[C@@H]1CCCCC1=NOC(=O)Nc1ccccc1Cl	ZINC000100442499	557261365	/nfs/dbraw/zinc/26/13/65/557261365.db2.gz	XIVDVFMFBDHNHZ-CNDSNSFTSA-N	0	0	435.052	8.746	50	30		IKEARN
O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000100499062	557262274	/nfs/dbraw/zinc/26/22/74/557262274.db2.gz	BKVSGKFSOGKEMG-JDFKBJJRSA-N	0	0	427.451	6.052	50	30		IKEARN
CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1O	ZINC000100505553	557262682	/nfs/dbraw/zinc/26/26/82/557262682.db2.gz	JGVNGGKGSNSQAK-ZMOGYAJESA-N	0	0	437.293	6.112	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O	ZINC000100502866	557262758	/nfs/dbraw/zinc/26/27/58/557262758.db2.gz	SWCRZESAOKBJCZ-BHGWPJFGSA-N	0	0	441.256	5.861	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000027546937	557264675	/nfs/dbraw/zinc/26/46/75/557264675.db2.gz	LMOMWKOSFYAEJB-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000000820459	557267479	/nfs/dbraw/zinc/26/74/79/557267479.db2.gz	JTIQQTDBHFYHSA-AREMUKBSSA-N	0	0	443.543	6.175	50	30		IKEARN
CCCC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)CCC)C1c1cccc([N+](=O)[O-])c1	ZINC000000823450	557269127	/nfs/dbraw/zinc/26/91/27/557269127.db2.gz	MHYIMRXKELKIOV-UHFFFAOYSA-N	0	0	432.520	5.700	50	30		IKEARN
C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000100685922	557269311	/nfs/dbraw/zinc/26/93/11/557269311.db2.gz	GTMJEAVXRNJUAA-WIYYLYMNSA-N	0	0	429.383	5.193	50	30		IKEARN
Fc1ccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)cc1	ZINC000101294081	557269591	/nfs/dbraw/zinc/26/95/91/557269591.db2.gz	WHZFABWWYKYMFM-YSURURNPSA-N	0	0	439.240	5.876	50	30		IKEARN
COc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	ZINC000000828098	557271566	/nfs/dbraw/zinc/27/15/66/557271566.db2.gz	CGXILCRLQXCGAY-UHFFFAOYSA-N	0	0	440.536	5.113	50	30		IKEARN
COc1ccc(Br)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2	ZINC000000828729	557271818	/nfs/dbraw/zinc/27/18/18/557271818.db2.gz	PZAYJGYNCHIXMY-DEOSSOPVSA-N	0	0	434.333	6.284	50	30		IKEARN
N#Cc1c(/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)oc(-c2ccccc2)c1-c1ccccc1	ZINC000100935128	557279195	/nfs/dbraw/zinc/27/91/95/557279195.db2.gz	ALXRAJNZXSEGFK-MZJWZYIUSA-N	0	0	437.411	5.873	50	30		IKEARN
Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C	ZINC000100971574	557280026	/nfs/dbraw/zinc/28/00/26/557280026.db2.gz	ZRCJIXRZXOCBDR-FPEJUQHSSA-N	0	0	429.545	5.468	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccccc1	ZINC000101431228	557285086	/nfs/dbraw/zinc/28/50/86/557285086.db2.gz	JTKJPGWNQOYENL-WZDJMGEGSA-N	0	0	449.620	5.626	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N/c1ccc(C(=O)OC)cc1	ZINC000101558124	557291120	/nfs/dbraw/zinc/29/11/20/557291120.db2.gz	CAQOZZZQCNHEAC-ZBNITPKASA-N	0	0	446.528	5.259	50	30		IKEARN
CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC	ZINC000101696170	557293845	/nfs/dbraw/zinc/29/38/45/557293845.db2.gz	FXLCHAHQBTVRRJ-LRXZINBSSA-N	0	0	444.984	5.630	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000101696057	557293996	/nfs/dbraw/zinc/29/39/96/557293996.db2.gz	FFBCYWJTOBHJQY-JHXFIANCSA-N	0	0	432.545	5.349	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccccc2C(F)(F)F)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000101624564	557294458	/nfs/dbraw/zinc/29/44/58/557294458.db2.gz	SJHRUOFFLPUEPT-UHFFFAOYSA-N	0	0	436.470	6.191	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000014066220	557295044	/nfs/dbraw/zinc/29/50/44/557295044.db2.gz	ZCBFXFOIOCFPBC-LJQANCHMSA-N	0	0	439.533	5.163	50	30		IKEARN
COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1	ZINC000033381835	557295233	/nfs/dbraw/zinc/29/52/33/557295233.db2.gz	TYQQTMYXCXESNK-UYRXBGFRSA-N	0	0	445.471	5.286	50	30		IKEARN
Cc1nc(C=CNc2cccc(Cl)c2)c(C#N)c(-c2c(Cl)cccc2Cl)c1C#N	ZINC000100101079	557298931	/nfs/dbraw/zinc/29/89/31/557298931.db2.gz	NONPPBPANBWXHD-CMDGGOBGSA-N	0	0	439.733	6.843	50	30		IKEARN
C[C@@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl	ZINC000102265845	557300838	/nfs/dbraw/zinc/30/08/38/557300838.db2.gz	OMNFGJKJTUMWAP-VGBRZCOJSA-N	0	0	426.170	7.766	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c(Cl)c1	ZINC000102311730	557300948	/nfs/dbraw/zinc/30/09/48/557300948.db2.gz	NZUWERNBMZBVHC-ZMOGYAJESA-N	0	0	432.823	6.167	50	30		IKEARN
O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1cc2ccccc2o1	ZINC000102419350	557301825	/nfs/dbraw/zinc/30/18/25/557301825.db2.gz	KKMSTLUWAXEZDJ-ZMOGYAJESA-N	0	0	435.277	5.904	50	30		IKEARN
COc1cc(/N=C/c2c(O)ccc3ccccc32)ccc1NC(=O)c1cc2ccccc2o1	ZINC000102417228	557301835	/nfs/dbraw/zinc/30/18/35/557301835.db2.gz	VCJAKKYCJUBGGA-LQKURTRISA-N	0	0	436.467	6.303	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1cccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@@H]3C2=O)c1	ZINC000102536545	557303538	/nfs/dbraw/zinc/30/35/38/557303538.db2.gz	HWIHXMLIRVYVIF-XRODADMRSA-N	0	0	438.612	6.248	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl	ZINC000002849137	557305093	/nfs/dbraw/zinc/30/50/93/557305093.db2.gz	VYZFQUOROMORID-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
Cc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(C)n1C1CC1	ZINC000101974207	557309486	/nfs/dbraw/zinc/30/94/86/557309486.db2.gz	DELCHVFJSPRIGE-RUZDIDTESA-N	0	0	440.591	6.135	50	30		IKEARN
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1	ZINC000002860935	557312553	/nfs/dbraw/zinc/31/25/53/557312553.db2.gz	SFJMUWIIYMIKSK-UHFFFAOYSA-N	0	0	444.329	6.071	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1Cl	ZINC000002856294	557312572	/nfs/dbraw/zinc/31/25/72/557312572.db2.gz	UDUPFZRIZQJCKC-UHFFFAOYSA-N	0	0	441.969	5.125	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1	ZINC000002862366	557313089	/nfs/dbraw/zinc/31/30/89/557313089.db2.gz	UNYNJUPYCVHHHQ-UHFFFAOYSA-N	0	0	442.850	5.127	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1cccc(Br)c1)Nc1ccccc1-2	ZINC000002878641	557313391	/nfs/dbraw/zinc/31/33/91/557313391.db2.gz	BEUDILDRAPKPFR-KRWDZBQOSA-N	0	0	427.327	5.082	50	30		IKEARN
Cc1c(OC/C(=N/O)c2ccc(Cl)cc2)ccc2c(C)c(Cc3ccccc3)c(=O)oc12	ZINC000100110397	557313424	/nfs/dbraw/zinc/31/34/24/557313424.db2.gz	SXTWFWLDLALBNI-NFFVHWSESA-N	0	0	447.918	5.911	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(OC(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000102137245	557313569	/nfs/dbraw/zinc/31/35/69/557313569.db2.gz	KDOUMEBUEPCNCB-QFIPXVFZSA-N	0	0	449.501	5.983	50	30		IKEARN
N#Cc1ccccc1-c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1	ZINC000014185356	557313641	/nfs/dbraw/zinc/31/36/41/557313641.db2.gz	WIMPUCJFKJRXAB-UHFFFAOYSA-N	0	0	428.586	6.096	50	30		IKEARN
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)o1	ZINC000014183616	557314188	/nfs/dbraw/zinc/31/41/88/557314188.db2.gz	AEGNEWZDVWDISL-CQSZACIVSA-N	0	0	438.578	5.366	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cc2cccc(OC)c2o1	ZINC000002859644	557315302	/nfs/dbraw/zinc/31/53/02/557315302.db2.gz	QHVZSMRGFCLLIX-UHFFFAOYSA-N	0	0	448.548	5.179	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S	ZINC000002847752	557316399	/nfs/dbraw/zinc/31/63/99/557316399.db2.gz	CAORUSWTRMNMPI-KGENOOAVSA-N	0	0	425.575	5.360	50	30		IKEARN
CN(C)C(=S)N1C(=S)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1	ZINC000103710874	557318062	/nfs/dbraw/zinc/31/80/62/557318062.db2.gz	NLFNSWMTPUMXMU-AERNQAQFSA-N	0	0	443.601	5.400	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccc(F)c(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943208	557318914	/nfs/dbraw/zinc/31/89/14/557318914.db2.gz	ZRTYVJVNKWJDMT-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c(C)n1	ZINC000032972861	557319762	/nfs/dbraw/zinc/31/97/62/557319762.db2.gz	OAGIJKVIFYGXMN-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c1C	ZINC000032972047	557319785	/nfs/dbraw/zinc/31/97/85/557319785.db2.gz	DFWXPIJZOPJJPG-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccc(Cl)cc3)o1)Nc1ccccc1-2	ZINC000002874277	557320363	/nfs/dbraw/zinc/32/03/63/557320363.db2.gz	KISTUDHVAUUGKV-NRFANRHFSA-N	0	0	448.935	6.233	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1-c1cc(Br)ccc1O	ZINC000002854630	557324902	/nfs/dbraw/zinc/32/49/02/557324902.db2.gz	IVRYQSAECHJZGR-UHFFFAOYSA-N	0	0	436.762	5.545	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1OC	ZINC000002849906	557327096	/nfs/dbraw/zinc/32/70/96/557327096.db2.gz	CNTMCKKRZSCLTI-YBEGLDIGSA-N	0	0	448.700	5.020	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1cccc(Br)c1)Nc1ccccc1-2	ZINC000002878640	557327117	/nfs/dbraw/zinc/32/71/17/557327117.db2.gz	BEUDILDRAPKPFR-QGZVFWFLSA-N	0	0	427.327	5.082	50	30		IKEARN
CCOc1ccc(/N=C2\c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000102452757	557327520	/nfs/dbraw/zinc/32/75/20/557327520.db2.gz	WDDHFCKHYYDBCB-XTCLZLMSSA-N	0	0	425.315	6.060	50	30		IKEARN
CCCCCCCCCCCCCCCCn1c2ccccc2n(CC(=O)OC)c1=N	ZINC000102453232	557327846	/nfs/dbraw/zinc/32/78/46/557327846.db2.gz	JKBHURDWZYQFGO-UHFFFAOYSA-N	0	0	429.649	6.577	50	30		IKEARN
CCCC(=O)C1=C(NCCc2ccc(OCC)c(OCC)c2)C[C@H](c2ccccc2)CC1=O	ZINC000100140344	557333940	/nfs/dbraw/zinc/33/39/40/557333940.db2.gz	RBAJGAYYGOVLAB-QFIPXVFZSA-N	0	0	449.591	5.386	50	30		IKEARN
Cc1ccc(N=NC(N=Nc2ccc(C)cc2)c2ncc(C(F)(F)F)cc2Cl)cc1	ZINC000100142876	557334255	/nfs/dbraw/zinc/33/42/55/557334255.db2.gz	XKWBOQVHSLRVGV-HDMRNDRWSA-N	0	0	431.849	6.928	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000100145059	557334502	/nfs/dbraw/zinc/33/45/02/557334502.db2.gz	WYDWSLXKZMJAJY-XXFRDUSWSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000100145065	557334525	/nfs/dbraw/zinc/33/45/25/557334525.db2.gz	WUAROROZZYANGT-USXRGHEGSA-N	0	0	429.903	5.831	50	30		IKEARN
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccc(F)cc1	ZINC000033405975	557334539	/nfs/dbraw/zinc/33/45/39/557334539.db2.gz	LJWULEZOSMQOMP-ZROIWOOFSA-N	0	0	446.319	7.008	50	30		IKEARN
CCOc1ccc(CC(NCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC	ZINC000100147596	557335117	/nfs/dbraw/zinc/33/51/17/557335117.db2.gz	CTVWWTQPDUJIAH-UHFFFAOYSA-N	0	0	435.564	5.029	50	30		IKEARN
C=CCn1c(SCC(=O)NC2CCCCCCC2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000014356548	557335447	/nfs/dbraw/zinc/33/54/47/557335447.db2.gz	FFIVYPAQXACZGV-UHFFFAOYSA-N	0	0	440.657	5.750	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC12CC3CC(CC(C3)C1)C2	ZINC000014358276	557335756	/nfs/dbraw/zinc/33/57/56/557335756.db2.gz	ANWRATIVJPTIIW-UHFFFAOYSA-N	0	0	448.657	6.620	50	30		IKEARN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)Nc2cccc(C#N)c2)cc1	ZINC000014360826	557335784	/nfs/dbraw/zinc/33/57/84/557335784.db2.gz	CXDCFVVJCDOFSQ-UHFFFAOYSA-N	0	0	428.517	5.027	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1	ZINC000102501012	557338171	/nfs/dbraw/zinc/33/81/71/557338171.db2.gz	VEXIJUURWJQFRF-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
CCOc1ccc(CC(=O)C2=C(NCCc3ccccc3)CC(C)(C)CC2=O)cc1OCC	ZINC000100162359	557339332	/nfs/dbraw/zinc/33/93/32/557339332.db2.gz	BAJAZOREJNQMND-UHFFFAOYSA-N	0	0	449.591	5.071	50	30		IKEARN
CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C\c2ccc(Cl)cc2Cl)cc1	ZINC000100166415	557340588	/nfs/dbraw/zinc/34/05/88/557340588.db2.gz	NRTYLZACQRNWSO-LGMDPLHJSA-N	0	0	447.402	7.936	50	30		IKEARN
CCCCCCCCOc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1	ZINC000100168324	557340895	/nfs/dbraw/zinc/34/08/95/557340895.db2.gz	ACZPKOGLEXCFJW-OQKWZONESA-N	0	0	437.496	5.591	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102533900	557344223	/nfs/dbraw/zinc/34/42/23/557344223.db2.gz	RGPZFPVPVVZFBS-MRJHHRETSA-N	0	0	448.862	5.183	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C	ZINC000102535529	557344783	/nfs/dbraw/zinc/34/47/83/557344783.db2.gz	YFTNJXYEULJUHS-WOOAAIBNSA-N	0	0	438.936	5.348	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000102541275	557348014	/nfs/dbraw/zinc/34/80/14/557348014.db2.gz	KHRNUCZVOCCLJL-JBCNATCCSA-N	0	0	426.497	5.231	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)NCCOC(C)C)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023336260	557348770	/nfs/dbraw/zinc/34/87/70/557348770.db2.gz	NSEVSEFWKBPWPK-UHFFFAOYSA-N	0	0	443.591	5.301	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2CCCOC(C)C	ZINC000023334593	557349443	/nfs/dbraw/zinc/34/94/43/557349443.db2.gz	QWBZAVBBRLPAMP-UHFFFAOYSA-N	0	0	437.565	5.192	50	30		IKEARN
N#Cc1ccccc1-c1ccc(COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)cc1	ZINC000023389454	557352538	/nfs/dbraw/zinc/35/25/38/557352538.db2.gz	JLRBEBDMBQTFDD-UHFFFAOYSA-N	0	0	432.694	5.520	50	30		IKEARN
CCCN(CCC)C(=O)CCc1ccc(-c2ccc(C)cc2C)n1-c1ccc(CC#N)cc1	ZINC000023426338	557353499	/nfs/dbraw/zinc/35/34/99/557353499.db2.gz	PFVUPZXOZNILEE-UHFFFAOYSA-N	0	0	441.619	6.408	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000102527980	557354130	/nfs/dbraw/zinc/35/41/30/557354130.db2.gz	IEELTGDAKUDOCY-JBCNATCCSA-N	0	0	441.955	5.096	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)c1	ZINC000102589227	557356695	/nfs/dbraw/zinc/35/66/95/557356695.db2.gz	UMQVFVJDTWTEQV-MOBKVPTQSA-N	0	0	433.891	5.283	50	30		IKEARN
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000023451818	557357413	/nfs/dbraw/zinc/35/74/13/557357413.db2.gz	OZCVHGHABQKEGM-AREMUKBSSA-N	0	0	444.556	5.436	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@@H]1c1ccccc1Cl)c1ccc(Cl)cc1	ZINC000102602114	557357784	/nfs/dbraw/zinc/35/77/84/557357784.db2.gz	WFFZWQJUYCGRDV-LFVOPCPISA-N	0	0	428.271	5.208	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000102613899	557359190	/nfs/dbraw/zinc/35/91/90/557359190.db2.gz	GRDAQYUSBOMGDQ-JBCNATCCSA-N	0	0	438.310	5.928	50	30		IKEARN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1	ZINC000102621439	557359630	/nfs/dbraw/zinc/35/96/30/557359630.db2.gz	MEOYOBMIGCKVMI-AYWGPLOBSA-N	0	0	446.503	5.178	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(SC)c4)CC3)c2c1	ZINC000044167699	557365222	/nfs/dbraw/zinc/36/52/22/557365222.db2.gz	ZTUZBBKNCPXPBR-UHFFFAOYSA-N	0	0	446.576	5.082	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1[O-]	ZINC000003113146	557365421	/nfs/dbraw/zinc/36/54/21/557365421.db2.gz	SUQXUZXSFCWDED-AUEPDCJTSA-N	0	0	428.231	6.166	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(O)cc3)CC(=O)O4)C2=O)cc1	ZINC000524729926	557368767	/nfs/dbraw/zinc/36/87/67/557368767.db2.gz	OMHSTCAJNFYUBR-SGMQAHBGSA-N	0	0	426.468	5.573	50	30	biogenic	IKEARN
O=C1/C(=C/c2ccc(-c3ccc(F)cc3)o2)CCC/C1=C\c1ccc(-c2ccc(F)cc2)o1	ZINC000011690450	557369870	/nfs/dbraw/zinc/36/98/70/557369870.db2.gz	RBJJAWPBKHYHSE-NWILIBCHSA-N	0	0	442.461	7.705	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C2C=C(Nc3ccc(Cl)cc3)C(=O)c3ccccc32)cc1	ZINC000100222880	557371726	/nfs/dbraw/zinc/37/17/26/557371726.db2.gz	LVZFJEWUZGATPC-QLYXXIJNSA-N	0	0	436.920	5.019	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1	ZINC000102752275	557383128	/nfs/dbraw/zinc/38/31/28/557383128.db2.gz	OQOWORRFRKYSAD-MOBKVPTQSA-N	0	0	444.874	5.103	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccco3)sc2c1	ZINC000102805148	557386794	/nfs/dbraw/zinc/38/67/94/557386794.db2.gz	HGMBSJAACADSDG-NHFXJNLRSA-N	0	0	430.485	5.078	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102797492	557389136	/nfs/dbraw/zinc/38/91/36/557389136.db2.gz	RTVNIEMZFPPXBH-JBCNATCCSA-N	0	0	432.545	5.063	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000100241726	557389255	/nfs/dbraw/zinc/38/92/55/557389255.db2.gz	UNLBWLGZDUAXKR-AZYSCILLSA-N	0	0	443.474	5.407	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1	ZINC000102799926	557390230	/nfs/dbraw/zinc/39/02/30/557390230.db2.gz	DAAUOTKSHYACPX-YDJIHCHBSA-N	0	0	442.353	5.451	50	30		IKEARN
O=C(C=C(Nc1ccc(Br)cc1)C(F)(F)F)c1ccc(Br)cc1	ZINC000102810465	557393161	/nfs/dbraw/zinc/39/31/61/557393161.db2.gz	JKPZBHYOSUHICB-DHDCSXOGSA-N	0	0	449.064	5.953	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000102818155	557393338	/nfs/dbraw/zinc/39/33/38/557393338.db2.gz	OEQDYQIGOFDMBO-UHFFFAOYSA-N	0	0	448.542	6.202	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102874376	557396545	/nfs/dbraw/zinc/39/65/45/557396545.db2.gz	FEGKTRBVPUAEJG-NHFXJNLRSA-N	0	0	430.485	5.132	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Br)cn1	ZINC000100283915	557397722	/nfs/dbraw/zinc/39/77/22/557397722.db2.gz	FAKPBBSAFPWERE-UHFFFAOYSA-N	0	0	439.482	8.044	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1	ZINC000102857980	557399193	/nfs/dbraw/zinc/39/91/93/557399193.db2.gz	XADIILSENQXNOH-ZHHPLPSFSA-N	0	0	431.919	5.313	50	30		IKEARN
C=CCNC(=S)N1N=C2/C(=C/c3ccc(OC)cc3)CCC[C@@H]2[C@H]1c1ccc(OC)cc1	ZINC000033453838	557399243	/nfs/dbraw/zinc/39/92/43/557399243.db2.gz	KUDIFHJEAAEZSH-SYGJWTDRSA-N	0	0	447.604	5.361	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000102858971	557399470	/nfs/dbraw/zinc/39/94/70/557399470.db2.gz	CGUGPNGMUCWTCC-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
O=C1C(=NNc2cccc(Cl)c2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1	ZINC000100327069	557399523	/nfs/dbraw/zinc/39/95/23/557399523.db2.gz	GAQPMPZOZPUXJZ-LHLOQNFPSA-N	0	0	430.722	6.010	50	30		IKEARN
O=C1C(=NNc2ccccc2Cl)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1	ZINC000100327068	557399561	/nfs/dbraw/zinc/39/95/61/557399561.db2.gz	JIXACJSDUOSTKW-LHLOQNFPSA-N	0	0	430.722	6.010	50	30		IKEARN
COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C	ZINC000100319180	557399602	/nfs/dbraw/zinc/39/96/02/557399602.db2.gz	QEKANXFTDOFSFP-LMTJQJACSA-N	0	0	434.605	6.674	50	30		IKEARN
COc1ccc(C(=O)C(=CNc2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2)cc1	ZINC000100338229	557400222	/nfs/dbraw/zinc/40/02/22/557400222.db2.gz	LWJFMJCNKCGKDR-PXLXIMEGSA-N	0	0	427.422	6.059	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102860986	557401716	/nfs/dbraw/zinc/40/17/16/557401716.db2.gz	HJUJNWSQBWVYSQ-MOBKVPTQSA-N	0	0	440.524	5.539	50	30		IKEARN
N#Cc1c(C=CNc2ccccc2-c2ccccc2)onc1-c1c(Cl)cccc1Cl	ZINC000100403633	557402100	/nfs/dbraw/zinc/40/21/00/557402100.db2.gz	FVARQXMNMCDWDV-BUHFOSPRSA-N	0	0	432.310	7.270	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000100439826	557403412	/nfs/dbraw/zinc/40/34/12/557403412.db2.gz	SRZSCRJSEZOMRE-YDJIHCHBSA-N	0	0	434.289	5.075	50	30		IKEARN
C=CCN1C[C@@H](c2nc3ccccc3n2CCCOc2cc(C)ccc2C(C)C)CC1=O	ZINC000004910384	557403517	/nfs/dbraw/zinc/40/35/17/557403517.db2.gz	HLVDEGOYHNJLMV-NRFANRHFSA-N	0	0	431.580	5.439	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102876974	557406735	/nfs/dbraw/zinc/40/67/35/557406735.db2.gz	TUGQIINDJIIWLG-MRJHHRETSA-N	0	0	438.310	5.928	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1	ZINC000102877173	557406779	/nfs/dbraw/zinc/40/67/79/557406779.db2.gz	DNSKRIVHMVOPGI-SELCWUDQSA-N	0	0	448.744	5.324	50	30		IKEARN
O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2c(F)cccc2Cl)c1	ZINC000100482271	557408942	/nfs/dbraw/zinc/40/89/42/557408942.db2.gz	NORWHDKICJKJIV-ZHACJKMWSA-N	0	0	426.831	5.775	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000102883958	557409105	/nfs/dbraw/zinc/40/91/05/557409105.db2.gz	LKDWWGIPGQVYER-MOBKVPTQSA-N	0	0	440.524	5.539	50	30		IKEARN
C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)c1cccs1	ZINC000033545988	557410534	/nfs/dbraw/zinc/41/05/34/557410534.db2.gz	JJUALBCCGPPRSX-UHFFFAOYSA-N	0	0	442.581	5.114	50	30		IKEARN
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000257360753	557412602	/nfs/dbraw/zinc/41/26/02/557412602.db2.gz	DOMWKUIIPQCAJU-NHPRTDBSSA-N	0	0	428.613	5.970	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2Cl)cc1Cl	ZINC000102930990	557412780	/nfs/dbraw/zinc/41/27/80/557412780.db2.gz	HJHGJWDSOMTVAL-JBCNATCCSA-N	0	0	438.310	5.928	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)c1c(O)cc(-c3ccccc3)cc1N2	ZINC000102931314	557412809	/nfs/dbraw/zinc/41/28/09/557412809.db2.gz	DAZPGYPCGSSAIF-MHZLTWQESA-N	0	0	447.513	6.188	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000102948783	557413353	/nfs/dbraw/zinc/41/33/53/557413353.db2.gz	KDFILFKHIZHORG-XMMPIXPASA-N	0	0	427.548	5.698	50	30		IKEARN
COc1ccc([C@H]2c3c(C)nn(-c4ccc(C)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000102948781	557413406	/nfs/dbraw/zinc/41/34/06/557413406.db2.gz	KDFILFKHIZHORG-DEOSSOPVSA-N	0	0	427.548	5.698	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000102948798	557413695	/nfs/dbraw/zinc/41/36/95/557413695.db2.gz	GVFOMTJSYWRVDJ-XMMPIXPASA-N	0	0	443.547	5.399	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(N2CCOCC2)cc1	ZINC000033587657	557414497	/nfs/dbraw/zinc/41/44/97/557414497.db2.gz	MRPWWQUBTFOASD-CSKARUKUSA-N	0	0	428.315	5.986	50	30		IKEARN
CCCCCCCCCCCC(=O)N1CCCN(c2nc(C)nc(C)c2C(C)C)CC1	ZINC000102999882	557415173	/nfs/dbraw/zinc/41/51/73/557415173.db2.gz	XPNOMNCYUUWDNH-UHFFFAOYSA-N	0	0	430.681	6.176	50	30		IKEARN
CCCCCCCC(=O)N[C@H](C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H](C)CC	ZINC000102992756	557415763	/nfs/dbraw/zinc/41/57/63/557415763.db2.gz	VMKWGLNLSUTWAM-UZLBHIALSA-N	0	0	446.617	5.044	50	30		IKEARN
CCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCCC)C(C)=C2C(=O)OC)c1	ZINC000102993697	557416011	/nfs/dbraw/zinc/41/60/11/557416011.db2.gz	ZPFRNWYPIJAYMS-HSZRJFAPSA-N	0	0	443.588	5.299	50	30		IKEARN
Cc1ccc(-c2csc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n2)cc1	ZINC000103619743	557439225	/nfs/dbraw/zinc/43/92/25/557439225.db2.gz	LLLKLEOUAQILTI-UHFFFAOYSA-N	0	0	436.299	5.525	50	30		IKEARN
CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1	ZINC000103908176	557442602	/nfs/dbraw/zinc/44/26/02/557442602.db2.gz	ZVAWYBZJGZAZBX-NTMALXAHSA-N	0	0	431.388	6.266	50	30		IKEARN
COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000104082440	557449881	/nfs/dbraw/zinc/44/98/81/557449881.db2.gz	ZSRYAQQDQCAALM-KHELOEERSA-N	0	0	425.484	5.186	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000104101301	557450364	/nfs/dbraw/zinc/45/03/64/557450364.db2.gz	RMIMPNSDTLFUQX-JBCNATCCSA-N	0	0	437.854	5.114	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000104224670	557453459	/nfs/dbraw/zinc/45/34/59/557453459.db2.gz	LTLUXBLODOXHJH-MOBKVPTQSA-N	0	0	446.934	5.659	50	30		IKEARN
C=CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1	ZINC000104652512	557457252	/nfs/dbraw/zinc/45/72/52/557457252.db2.gz	KDKUDKHEJXMNLI-PXLXIMEGSA-N	0	0	430.435	5.235	50	30		IKEARN
Cc1cccn2c(=O)c(/C=N/Cc3ccco3)c(Nc3ccc(SC(F)F)cc3)nc12	ZINC000003179444	557523498	/nfs/dbraw/zinc/52/34/98/557523498.db2.gz	ILKSRLCCUVCXOX-DHRITJCHSA-N	0	0	440.475	5.273	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccc(C)cc2)cc1	ZINC000044858804	557537947	/nfs/dbraw/zinc/53/79/47/557537947.db2.gz	UQXLGNYKULKNHM-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn3[C@@H]2c2ccccc2)C1	ZINC000044858823	557538033	/nfs/dbraw/zinc/53/80/33/557538033.db2.gz	PBBYXVNTLFBFJX-JOCHJYFZSA-N	0	0	446.938	5.447	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)cc1	ZINC000044859087	557538268	/nfs/dbraw/zinc/53/82/68/557538268.db2.gz	ZLLGNARPMMGWAF-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccc(F)cc3)cnn21	ZINC000044859180	557538296	/nfs/dbraw/zinc/53/82/96/557538296.db2.gz	ZKVQVYKECULKID-QHCPKHFHSA-N	0	0	444.510	5.241	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21	ZINC000044858995	557538305	/nfs/dbraw/zinc/53/83/05/557538305.db2.gz	GBDIRQJVQJYWOC-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccc(F)cc3)cnn21	ZINC000044859177	557538329	/nfs/dbraw/zinc/53/83/29/557538329.db2.gz	ZKVQVYKECULKID-HSZRJFAPSA-N	0	0	444.510	5.241	50	30		IKEARN
Cc1ccc([C@H]2c3c(N)nc(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000044973569	557541702	/nfs/dbraw/zinc/54/17/02/557541702.db2.gz	DWMQXSRUQJLNSG-LJQANCHMSA-N	0	0	436.625	5.706	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1ccccc1	ZINC000044973588	557541746	/nfs/dbraw/zinc/54/17/46/557541746.db2.gz	HUVPILIJOWCQGE-HXUWFJFHSA-N	0	0	442.588	5.552	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@H]2c1cccs1	ZINC000044973611	557541809	/nfs/dbraw/zinc/54/18/09/557541809.db2.gz	RSXMWSWDELGHFV-IBGZPJMESA-N	0	0	448.617	5.613	50	30		IKEARN
CSc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)c1	ZINC000045939499	557548360	/nfs/dbraw/zinc/54/83/60/557548360.db2.gz	YNRNESLFHYJHAZ-UHFFFAOYSA-N	0	0	432.593	5.499	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1	ZINC000045940309	557548815	/nfs/dbraw/zinc/54/88/15/557548815.db2.gz	YZGUTVVOQRALER-SFHVURJKSA-N	0	0	446.551	5.010	50	30		IKEARN
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)cc1Cl	ZINC000000841597	557685444	/nfs/dbraw/zinc/68/54/44/557685444.db2.gz	UYRPGXUBVCRMNZ-UHFFFAOYSA-N	0	0	428.138	6.516	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC[NH+]3CCCCC3)n2)cc1	ZINC000000862953	557836316	/nfs/dbraw/zinc/83/63/16/557836316.db2.gz	YVNVBCGUQRGVON-UHFFFAOYSA-N	0	0	429.589	5.874	50	30		IKEARN
CC(C)(C)C1=CC(=C2C=C(c3ccccc3)OC(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O	ZINC000685944631	557839216	/nfs/dbraw/zinc/83/92/16/557839216.db2.gz	QQGSICPKDBEZIX-UHFFFAOYSA-N	0	0	436.595	7.923	50	30		IKEARN
N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1	ZINC000000865634	557839554	/nfs/dbraw/zinc/83/95/54/557839554.db2.gz	DBSYBNNTKIBHEC-HZPDHXFCSA-N	0	0	445.832	5.321	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000878317	557848653	/nfs/dbraw/zinc/84/86/53/557848653.db2.gz	QDEHJTSYTDHTBW-XMMPIXPASA-N	0	0	430.548	5.246	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000878313	557848690	/nfs/dbraw/zinc/84/86/90/557848690.db2.gz	QDEHJTSYTDHTBW-DEOSSOPVSA-N	0	0	430.548	5.246	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000003982475	560193038	/nfs/dbraw/zinc/19/30/38/560193038.db2.gz	FVWJYYTZTCVBKE-MHYAHYFVSA-N	0	0	442.728	6.997	50	30	biogenic,in-vitro	IKEARN
O=C1/C(=C/c2cccc(Br)c2)CCC/C1=C\c1cccc(Br)c1	ZINC000004547095	562943351	/nfs/dbraw/zinc/94/33/51/562943351.db2.gz	AHJCUJSTWXHHHI-OTYYAQKOSA-N	0	0	432.155	6.432	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccnc3)C2)cc1	ZINC000001001499	562919946	/nfs/dbraw/zinc/91/99/46/562919946.db2.gz	VQEAGRYMZHFYAX-CCLHPLFOSA-N	0	0	439.515	5.011	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3cccnc3)C2)cc1	ZINC000001001501	562919948	/nfs/dbraw/zinc/91/99/48/562919948.db2.gz	VQEAGRYMZHFYAX-NFQMXDRXSA-N	0	0	439.515	5.011	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccnc3)C2)cc1	ZINC000001001500	562919969	/nfs/dbraw/zinc/91/99/69/562919969.db2.gz	VQEAGRYMZHFYAX-DCFHFQCYSA-N	0	0	439.515	5.011	50	30		IKEARN
O=C(OCC#CCSc1nnc(-c2cccc3ccccc32)o1)c1cc2ccccc2o1	ZINC000002420520	562927534	/nfs/dbraw/zinc/92/75/34/562927534.db2.gz	ZJCRSXLZUQPWCS-UHFFFAOYSA-N	0	0	440.480	5.589	50	30		IKEARN
N#CCCn1nc(-c2ccc(Cl)cc2)cc1Nc1ccccc1NC(=O)C(F)(F)F	ZINC000002641129	562929061	/nfs/dbraw/zinc/92/90/61/562929061.db2.gz	VOMAOMHOLKCWSS-UHFFFAOYSA-N	0	0	433.821	5.362	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000004073999	562941436	/nfs/dbraw/zinc/94/14/36/562941436.db2.gz	FVWJYYTZTCVBKE-PGROKZIJSA-N	0	0	442.728	6.997	50	30	biogenic	IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000004081455	562941616	/nfs/dbraw/zinc/94/16/16/562941616.db2.gz	MQYXUWHLBZFQQO-QGTGJCAVSA-N	0	0	426.729	8.025	50	30	biogenic,investigational	IKEARN
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000004083606	562941647	/nfs/dbraw/zinc/94/16/47/562941647.db2.gz	DOMWKUIIPQCAJU-LJHIYBGHSA-N	0	0	428.613	5.970	50	30	fda	IKEARN
COc1ccc(CNc2oc(-c3ccc(COc4ccc(OC)cc4)o3)nc2C#N)cc1	ZINC000008654680	562960286	/nfs/dbraw/zinc/96/02/86/562960286.db2.gz	MKQGGNRWUFBIIL-UHFFFAOYSA-N	0	0	431.448	5.015	50	30		IKEARN
C=CCN1C(=S)N=NC1c1oc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N	ZINC000008685001	562962293	/nfs/dbraw/zinc/96/22/93/562962293.db2.gz	AERHSHISZHOWJM-UHFFFAOYSA-N	0	0	425.517	5.477	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1cc(Br)ccc1OC(=O)c1ccco1	ZINC000009065711	562966868	/nfs/dbraw/zinc/96/68/68/562966868.db2.gz	VWINSIBMLLVGIS-CSKARUKUSA-N	0	0	427.250	5.166	50	30		IKEARN
N#Cc1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1	ZINC000072174967	563165281	/nfs/dbraw/zinc/16/52/81/563165281.db2.gz	HVPZDXDXIQZKHU-UHFFFAOYSA-N	0	0	431.801	6.667	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1	ZINC000025075837	568634601	/nfs/dbraw/zinc/63/46/01/568634601.db2.gz	XHRDLOUUSUROGU-LJQANCHMSA-N	0	0	428.370	6.263	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(N)c(-c2nc3ccccc3[nH]2)c1-c1ccccc1Cl	ZINC000000938167	568639151	/nfs/dbraw/zinc/63/91/51/568639151.db2.gz	UZABILMYSKUETR-UHFFFAOYSA-N	0	0	434.890	5.805	50	30		IKEARN
N#Cc1cccc(C(=O)Nc2cccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)c2)c1	ZINC000025142425	568639865	/nfs/dbraw/zinc/63/98/65/568639865.db2.gz	HNUDNGIAPRCLIO-UHFFFAOYSA-N	0	0	433.467	5.311	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(C#N)c2)c1-c1ccc(F)cc1	ZINC000025143761	568639914	/nfs/dbraw/zinc/63/99/14/568639914.db2.gz	VBBANXYUYTYVDZ-UHFFFAOYSA-N	0	0	441.506	6.208	50	30		IKEARN
Cc1cc(OCc2ccccc2)c(C(=O)[C@@H]2O[C@@H]2c2csc(-c3ccccc3)n2)cc1C	ZINC000000945293	568643388	/nfs/dbraw/zinc/64/33/88/568643388.db2.gz	NFMZZNWEHXESRO-FTJBHMTQSA-N	0	0	441.552	6.329	50	30		IKEARN
CCN(CC)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000000993756	568649312	/nfs/dbraw/zinc/64/93/12/568649312.db2.gz	JONSVWVNVJWECN-SANMLTNESA-N	0	0	431.580	5.696	50	30		IKEARN
COc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000001017765	568650969	/nfs/dbraw/zinc/65/09/69/568650969.db2.gz	TZTPTHOIVTXCFJ-YWROOUKNSA-N	0	0	432.501	5.218	50	30		IKEARN
CC1=NN(c2ccccc2)C(=O)/C1=C1\OC(c2ccccc2)=C(C(=O)c2ccccc2)S1	ZINC000211053497	568651423	/nfs/dbraw/zinc/65/14/23/568651423.db2.gz	ZVUDDBULJVDKPH-QLYXXIJNSA-N	0	0	438.508	5.636	50	30		IKEARN
COc1ccc(-c2c3c(nc(SCC(=O)Nc4ccc(Cl)cc4)c2C#N)CCC3)cc1	ZINC000001017313	568651952	/nfs/dbraw/zinc/65/19/52/568651952.db2.gz	SGZAUVCUYIXWRI-UHFFFAOYSA-N	0	0	449.963	5.502	50	30		IKEARN
N#Cc1c(SCC(=O)NCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000001032105	568652743	/nfs/dbraw/zinc/65/27/43/568652743.db2.gz	VJOZSIMITSOYMF-UHFFFAOYSA-N	0	0	433.480	5.109	50	30		IKEARN
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N=C(c2ccccc2)c2ccccc2)cc1	ZINC000025338126	568652913	/nfs/dbraw/zinc/65/29/13/568652913.db2.gz	PIBKEOWEXYQDHE-UHFFFAOYSA-N	0	0	448.588	5.175	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)CN(Cc3ccccc3)Cc3ccccc3)sc2C1	ZINC000001036511	568653622	/nfs/dbraw/zinc/65/36/22/568653622.db2.gz	QRNONDXEJHGLFS-IBGZPJMESA-N	0	0	429.589	5.385	50	30		IKEARN
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1O	ZINC000001062921	568656050	/nfs/dbraw/zinc/65/60/50/568656050.db2.gz	IGOWXUOUCGYSAW-JFLMPSFJSA-N	0	0	443.890	6.380	50	30		IKEARN
Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)/C(=N/c3ccccc3)S2)c(C)c1	ZINC000001068396	568656510	/nfs/dbraw/zinc/65/65/10/568656510.db2.gz	POLQYPVNZHMTEU-SKWYYERQSA-N	0	0	443.572	5.464	50	30		IKEARN
COc1cc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000001069568	568656539	/nfs/dbraw/zinc/65/65/39/568656539.db2.gz	GQOFYBAAFMYZIF-DEOSSOPVSA-N	0	0	428.488	5.042	50	30		IKEARN
N#Cc1cc(Sc2ccc(Br)cc2)c(-n2nnc3ccccc32)cc1C#N	ZINC000001099242	568658212	/nfs/dbraw/zinc/65/82/12/568658212.db2.gz	USRFMXZBQBEIOJ-UHFFFAOYSA-N	0	0	432.306	5.078	50	30		IKEARN
C#CCN1C(=O)S/C(=C\c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000001143360	568662435	/nfs/dbraw/zinc/66/24/35/568662435.db2.gz	IEKMDENAYOCECQ-YVLHZVERSA-N	0	0	448.378	5.075	50	30		IKEARN
CCOc1cc(-c2nc3ccccn3c2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000015162650	568731841	/nfs/dbraw/zinc/73/18/41/568731841.db2.gz	FBWGKZHVGGZGHK-ZMOGYAJESA-N	0	0	436.855	5.418	50	30		IKEARN
Cc1ccc(NC(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c(Cl)c1	ZINC000082113527	568736039	/nfs/dbraw/zinc/73/60/39/568736039.db2.gz	OHVSVCHFMUXNIA-UHFFFAOYSA-N	0	0	446.938	5.696	50	30		IKEARN
N#Cc1cccc(C(=O)Nc2ccc(N3CCCN(Cc4cccc(Cl)c4)C3=O)cc2)c1	ZINC000034733960	568737573	/nfs/dbraw/zinc/73/75/73/568737573.db2.gz	OVOGIBOTTXUFSF-UHFFFAOYSA-N	0	0	444.922	5.296	50	30		IKEARN
CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(Oc3ncccc3C#N)cc21	ZINC000001227219	568741757	/nfs/dbraw/zinc/74/17/57/568741757.db2.gz	NOUMSOVEYWUNPF-UHFFFAOYSA-N	0	0	427.460	5.183	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4ccc(-c5ccc([N+](=O)[O-])cc5)o4)c3C)nc2c1	ZINC000003211217	568743007	/nfs/dbraw/zinc/74/30/07/568743007.db2.gz	WCBZWWZEGWRFIG-JFLMPSFJSA-N	0	0	437.455	7.030	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2	ZINC000003664880	568753619	/nfs/dbraw/zinc/75/36/19/568753619.db2.gz	JAHNEERZSBIKFN-GAMAWZARSA-N	0	0	433.382	7.879	50	30		IKEARN
N#Cc1c2c(sc1/N=C/c1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCC2	ZINC000003664820	568753653	/nfs/dbraw/zinc/75/36/53/568753653.db2.gz	IQISPTBTJSQPJU-RPPGKUMJSA-N	0	0	427.356	6.745	50	30		IKEARN
CCOc1cc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1OCC#N	ZINC000003768880	568754446	/nfs/dbraw/zinc/75/44/46/568754446.db2.gz	LAYDEILTQJNQLO-VCHYOVAHSA-N	0	0	448.928	5.186	50	30		IKEARN
Brc1ccc(-c2csc(N=NCc3ccccc3Br)n2)cc1	ZINC000031854461	568758529	/nfs/dbraw/zinc/75/85/29/568758529.db2.gz	QIYQLUAMRDBKIT-OCKHKDLRSA-N	0	0	437.160	5.781	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccnc1	ZINC000004035912	568759676	/nfs/dbraw/zinc/75/96/76/568759676.db2.gz	MIWCWTRTLAOELW-ZBLYBZFDSA-N	0	0	435.527	5.392	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@@H]3c3cccnc3)C2)cc1	ZINC000004035918	568759681	/nfs/dbraw/zinc/75/96/81/568759681.db2.gz	CQFWKIXFDAHDJB-SKCUWOTOSA-N	0	0	449.554	5.701	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1Cl	ZINC000004078578	568760667	/nfs/dbraw/zinc/76/06/67/568760667.db2.gz	PQZNRMSRUHBYOC-QHCPKHFHSA-N	0	0	426.919	6.032	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(c2ccc(F)cc2)C1=O	ZINC000004105615	568775494	/nfs/dbraw/zinc/77/54/94/568775494.db2.gz	WBJIULCREAZTCY-JXAXBCJLSA-N	0	0	433.533	6.004	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(O)cc2)N(C2CCCCC2)C1=O	ZINC000004108989	568775644	/nfs/dbraw/zinc/77/56/44/568775644.db2.gz	XNSRHWITDVOZAE-ZMPCKTLKSA-N	0	0	437.590	5.699	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3cccc(F)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000263619359	568778047	/nfs/dbraw/zinc/77/80/47/568778047.db2.gz	YIZZDNXFJJCYFE-UHFFFAOYSA-N	0	0	441.455	5.013	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000263618398	568778224	/nfs/dbraw/zinc/77/82/24/568778224.db2.gz	SUEFXHKOTAGOLJ-UHFFFAOYSA-N	0	0	437.492	5.101	50	30		IKEARN
CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OC(=O)c1ccccc1Cl	ZINC000083292620	568778447	/nfs/dbraw/zinc/77/84/47/568778447.db2.gz	UZWZLUFZZFXZOG-XMHGGMMESA-N	0	0	447.874	5.302	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3	ZINC000001299644	568779018	/nfs/dbraw/zinc/77/90/18/568779018.db2.gz	YFKCFDHHFNHUCM-SFHVURJKSA-N	0	0	442.606	5.221	50	30		IKEARN
COc1ccc(C)cc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1	ZINC000045939509	568783612	/nfs/dbraw/zinc/78/36/12/568783612.db2.gz	GECFIPFKHBPJPL-UHFFFAOYSA-N	0	0	430.552	5.094	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@H]2c2ccccc2)cc1	ZINC000001414683	568790415	/nfs/dbraw/zinc/79/04/15/568790415.db2.gz	CNOCCSRKDOGPAD-VWLOTQADSA-N	0	0	436.511	5.297	50	30		IKEARN
CN(C)c1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000001421737	568793199	/nfs/dbraw/zinc/79/31/99/568793199.db2.gz	CKRGZYBCQPGMIS-DCFHFQCYSA-N	0	0	434.539	6.457	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1	ZINC000001423604	568793365	/nfs/dbraw/zinc/79/33/65/568793365.db2.gz	HIOLYXVTOUANHY-AWEZNQCLSA-N	0	0	445.585	5.341	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001427288	568793973	/nfs/dbraw/zinc/79/39/73/568793973.db2.gz	SQHYDVPMWNWVHI-GKVSMKOHSA-N	0	0	441.556	5.143	50	30		IKEARN
CN(C)N1C(=O)C[C@@H](c2cccc(Cl)c2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	ZINC000001430115	568794321	/nfs/dbraw/zinc/79/43/21/568794321.db2.gz	PBTQKDHOKIUUQU-WBVHZDCISA-N	0	0	429.347	5.187	50	30		IKEARN
C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2cccc(Br)c2)cc1	ZINC000001434850	568795853	/nfs/dbraw/zinc/79/58/53/568795853.db2.gz	UXYDIFDIQPLHGG-UHFFFAOYSA-N	0	0	431.355	5.039	50	30		IKEARN
N#C[C@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1	ZINC000084583264	568799045	/nfs/dbraw/zinc/79/90/45/568799045.db2.gz	NYBCDIGZGKTETQ-CQSZACIVSA-N	0	0	433.265	5.003	50	30		IKEARN
C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1	ZINC000084687085	568799975	/nfs/dbraw/zinc/79/99/75/568799975.db2.gz	JXLFGOSYBSSLLA-FZKQIMNGSA-N	0	0	435.936	5.787	50	30		IKEARN
C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1	ZINC000084687086	568800023	/nfs/dbraw/zinc/80/00/23/568800023.db2.gz	JXLFGOSYBSSLLA-SCLBCKFNSA-N	0	0	435.936	5.787	50	30		IKEARN
C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2cc(-c3cccc(Cl)c3)sc2C#N)c1	ZINC000084687080	568800079	/nfs/dbraw/zinc/80/00/79/568800079.db2.gz	JXLFGOSYBSSLLA-ACJLOTCBSA-N	0	0	435.936	5.787	50	30		IKEARN
C=CCn1c(/C=C(/OC(=O)c2ccccc2Cl)c2ccccc2Cl)nc2ccccc21	ZINC000003876746	568803536	/nfs/dbraw/zinc/80/35/36/568803536.db2.gz	DMVWZXPNMCKVFE-XQNSMLJCSA-N	0	0	449.337	6.884	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1	ZINC000001439854	568804769	/nfs/dbraw/zinc/80/47/69/568804769.db2.gz	WZOYIUBDCZQEMK-WXTAPIANSA-N	0	0	430.935	6.328	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000001441113	568807483	/nfs/dbraw/zinc/80/74/83/568807483.db2.gz	PEDBJMZWQJGIIB-HHHXNRCGSA-N	0	0	427.500	5.837	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1cccc(Br)c1	ZINC000001441358	568811443	/nfs/dbraw/zinc/81/14/43/568811443.db2.gz	SNPWNIQIXNDINI-NRFANRHFSA-N	0	0	433.349	6.198	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3	ZINC000008453414	568812918	/nfs/dbraw/zinc/81/29/18/568812918.db2.gz	FQYJGRNSYZPIPH-UHFFFAOYSA-N	0	0	432.570	5.500	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OCC	ZINC000009232348	568818404	/nfs/dbraw/zinc/81/84/04/568818404.db2.gz	XESBNQKJKJQELW-RCCKNPSSSA-N	0	0	441.574	5.455	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S	ZINC000009259494	568818427	/nfs/dbraw/zinc/81/84/27/568818427.db2.gz	JPSNDBIGCHQUHO-KQWNVCNZSA-N	0	0	430.598	6.148	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(Cl)c1	ZINC000009308122	568818459	/nfs/dbraw/zinc/81/84/59/568818459.db2.gz	RUPLJOWDPHVEDE-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(OC)cc1	ZINC000009308172	568818464	/nfs/dbraw/zinc/81/84/64/568818464.db2.gz	CYQBTIOVVIGZQO-UHFFFAOYSA-N	0	0	436.581	5.213	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1C	ZINC000009427258	568818891	/nfs/dbraw/zinc/81/88/91/568818891.db2.gz	GATRLGOAOSOWQI-QFIPXVFZSA-N	0	0	446.576	5.205	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1cccc(Cl)c1	ZINC000009496694	568818960	/nfs/dbraw/zinc/81/89/60/568818960.db2.gz	XJRYPIRZSRCIFO-UHFFFAOYSA-N	0	0	426.973	5.441	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCC(C)C)c1	ZINC000001457578	568819177	/nfs/dbraw/zinc/81/91/77/568819177.db2.gz	UJWDWCLPKQFNQL-MHZLTWQESA-N	0	0	446.591	6.274	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(CCCC)cc1	ZINC000013805026	568824095	/nfs/dbraw/zinc/82/40/95/568824095.db2.gz	LQHNEEMCKVRJFD-UHFFFAOYSA-N	0	0	436.581	5.117	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S	ZINC000013940644	568824528	/nfs/dbraw/zinc/82/45/28/568824528.db2.gz	AVGUGIDJMORGQR-XDHOZWIPSA-N	0	0	445.993	5.623	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)C(C(=O)OC)=C1C	ZINC000014010529	568824604	/nfs/dbraw/zinc/82/46/04/568824604.db2.gz	DKPJMJARSVAHDB-UKWGHVSLSA-N	0	0	445.346	5.260	50	30		IKEARN
C=CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1	ZINC000014093187	568824653	/nfs/dbraw/zinc/82/46/53/568824653.db2.gz	TWJFKMXPIDEABY-AREMUKBSSA-N	0	0	428.532	5.266	50	30		IKEARN
C=CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccncc1	ZINC000014069306	568824688	/nfs/dbraw/zinc/82/46/88/568824688.db2.gz	PQCFORSISUTZBS-OAQYLSRUSA-N	0	0	445.523	5.137	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1SCc1cc(-c2cccs2)on1	ZINC000014069734	568824840	/nfs/dbraw/zinc/82/48/40/568824840.db2.gz	LWXQIFXASVFJQZ-UHFFFAOYSA-N	0	0	428.514	5.191	50	30		IKEARN
C=CCn1c(SCc2cccc(Br)c2)nnc1-c1cccc(N(C)C)c1	ZINC000014115893	568824917	/nfs/dbraw/zinc/82/49/17/568824917.db2.gz	UCTDHQAJUOCCQA-UHFFFAOYSA-N	0	0	429.387	5.252	50	30		IKEARN
COc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000085581321	568825382	/nfs/dbraw/zinc/82/53/82/568825382.db2.gz	QDUTXYJGAAJQET-UHFFFAOYSA-N	0	0	444.510	5.065	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC	ZINC000015010570	568827634	/nfs/dbraw/zinc/82/76/34/568827634.db2.gz	PDBQGNNADIOVED-WQRHYEAKSA-N	0	0	448.327	5.251	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OCC	ZINC000015010561	568827642	/nfs/dbraw/zinc/82/76/42/568827642.db2.gz	HNYRWWBMOFRGPB-UYRXBGFRSA-N	0	0	429.925	5.540	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2ccccc2o1	ZINC000015018922	568828031	/nfs/dbraw/zinc/82/80/31/568828031.db2.gz	FJCJPSPBKVCKLL-UHFFFAOYSA-N	0	0	438.940	5.570	50	30		IKEARN
C=CCN(C(=O)C[C@H]1c2ccccc2C=CN1C(C)=O)c1nc(-c2ccccc2)cs1	ZINC000015608255	568828499	/nfs/dbraw/zinc/82/84/99/568828499.db2.gz	SCIBXCQJYQFECW-QHCPKHFHSA-N	0	0	429.545	5.293	50	30		IKEARN
C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)cc1OCC	ZINC000016183999	568829352	/nfs/dbraw/zinc/82/93/52/568829352.db2.gz	HJULPJCFRCYCER-ATVHPVEESA-N	0	0	448.828	5.099	50	30		IKEARN
C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)c1ccc(OC)cc1	ZINC000016447699	568829732	/nfs/dbraw/zinc/82/97/32/568829732.db2.gz	UBIDCJVDCKYJBM-UHFFFAOYSA-N	0	0	443.569	5.020	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccccn2)cc1	ZINC000016736347	568830269	/nfs/dbraw/zinc/83/02/69/568830269.db2.gz	KXLSWFREAWKRQB-XMMPIXPASA-N	0	0	438.483	5.119	50	30		IKEARN
C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)c2ccc(Cl)cc2)c1=S	ZINC000016769581	568830369	/nfs/dbraw/zinc/83/03/69/568830369.db2.gz	PRJWFLROMIOPNF-UHFFFAOYSA-N	0	0	429.998	5.737	50	30		IKEARN
C=C(C)COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OCC	ZINC000000668379	568831987	/nfs/dbraw/zinc/83/19/87/568831987.db2.gz	HLSWMJHZZOXFEW-ZDLGFXPLSA-N	0	0	442.309	5.147	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1	ZINC000000671220	568832056	/nfs/dbraw/zinc/83/20/56/568832056.db2.gz	PDTKTDYWDNIFTD-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C)c2)nc2sc(-c3ccccc3)cc2c1=O	ZINC000000710366	568832253	/nfs/dbraw/zinc/83/22/53/568832253.db2.gz	DBWIIJGALRPJTK-UHFFFAOYSA-N	0	0	447.585	5.350	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccs1	ZINC000001058024	568832774	/nfs/dbraw/zinc/83/27/74/568832774.db2.gz	CCEBLVMKIXXUHC-UHFFFAOYSA-N	0	0	425.366	5.230	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000001074701	568832955	/nfs/dbraw/zinc/83/29/55/568832955.db2.gz	QWYBYOCISUGELT-UHFFFAOYSA-N	0	0	442.903	5.401	50	30		IKEARN
C=CCn1c(NC(=O)C2(c3ccc(F)cc3)CCCC2)c(C(=O)OCC)sc1=S	ZINC000001184792	568833110	/nfs/dbraw/zinc/83/31/10/568833110.db2.gz	ZHMWLCBDWVWPLL-UHFFFAOYSA-N	0	0	434.558	5.231	50	30		IKEARN
C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccc(OC)cc1	ZINC000001159435	568833153	/nfs/dbraw/zinc/83/31/53/568833153.db2.gz	ACSFGOMFBBTNEE-UHFFFAOYSA-N	0	0	436.415	5.218	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S	ZINC000001186671	568833164	/nfs/dbraw/zinc/83/31/64/568833164.db2.gz	SPXVCTXEEQGIGY-YBFXNURJSA-N	0	0	439.631	5.293	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1	ZINC000001114167	568833487	/nfs/dbraw/zinc/83/34/87/568833487.db2.gz	OLKQAKVVJNMMIH-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)n1	ZINC000018127433	568833764	/nfs/dbraw/zinc/83/37/64/568833764.db2.gz	YAMQNFIPIVPJBW-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000001770607	568834180	/nfs/dbraw/zinc/83/41/80/568834180.db2.gz	OKHRFNBPRHXZNL-UHFFFAOYSA-N	0	0	426.585	5.442	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OCC	ZINC000002059347	568834440	/nfs/dbraw/zinc/83/44/40/568834440.db2.gz	MRUDZENISIYLSZ-PDGQHHTCSA-N	0	0	442.309	5.066	50	30		IKEARN
C=CCOc1ccc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)c(OCC=C)c1	ZINC000002092318	568834521	/nfs/dbraw/zinc/83/45/21/568834521.db2.gz	WRKZOZGRMJORQL-ODLFYWEKSA-N	0	0	430.287	5.468	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1[C@@H]1CCOC(C)(C)C1)C1(CCCC1)Cc1ccccc1-2	ZINC000002060627	568834527	/nfs/dbraw/zinc/83/45/27/568834527.db2.gz	XBFDZKBQUQMFFI-LJQANCHMSA-N	0	0	436.621	5.686	50	30	biogenic	IKEARN
C=CCSc1nc2nc(-c3ccccc3)cc(-c3ccccc3)c2c(SCC=C)n1	ZINC000002181184	568834637	/nfs/dbraw/zinc/83/46/37/568834637.db2.gz	IDBBMPICMNSLAM-UHFFFAOYSA-N	0	0	427.598	6.915	50	30		IKEARN
C=CCn1c(SCc2cccc3ccccc32)nc2sc3c(c2c1=O)CC(C)(C)OC3	ZINC000002299283	568834855	/nfs/dbraw/zinc/83/48/55/568834855.db2.gz	SKILGLBIYWXKCH-UHFFFAOYSA-N	0	0	448.613	5.941	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3	ZINC000002270796	568834868	/nfs/dbraw/zinc/83/48/68/568834868.db2.gz	PCLCVDPQLMETQG-KRWDZBQOSA-N	0	0	438.662	6.575	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3	ZINC000002271075	568834891	/nfs/dbraw/zinc/83/48/91/568834891.db2.gz	ZYJRLIUIYRRYRO-GOSISDBHSA-N	0	0	438.662	6.477	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002346523	568835021	/nfs/dbraw/zinc/83/50/21/568835021.db2.gz	DGHWQVMVQRZCGN-UHFFFAOYSA-N	0	0	432.633	5.974	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(C)c1	ZINC000002342206	568835183	/nfs/dbraw/zinc/83/51/83/568835183.db2.gz	KEUIDLKUQUNQKK-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cccc(Cl)c1	ZINC000002449284	568835717	/nfs/dbraw/zinc/83/57/17/568835717.db2.gz	MXGORDIFCTUSAK-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2sc(C)c(C)c2c1=O	ZINC000002403632	568835743	/nfs/dbraw/zinc/83/57/43/568835743.db2.gz	WSARWOUWKLOICM-UHFFFAOYSA-N	0	0	441.622	5.334	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1	ZINC000002409909	568835747	/nfs/dbraw/zinc/83/57/47/568835747.db2.gz	DRGDHCDGFVDNHZ-NRFANRHFSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1	ZINC000002409910	568835763	/nfs/dbraw/zinc/83/57/63/568835763.db2.gz	DRGDHCDGFVDNHZ-OAQYLSRUSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(Cl)cc1	ZINC000002450634	568835873	/nfs/dbraw/zinc/83/58/73/568835873.db2.gz	YOIWBQZPMPCDHC-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl	ZINC000002452954	568835917	/nfs/dbraw/zinc/83/59/17/568835917.db2.gz	NRWGAGZCBXLWJK-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(OC)c1	ZINC000002452435	568835998	/nfs/dbraw/zinc/83/59/98/568835998.db2.gz	VNJFRBRIGISRRW-KRWDZBQOSA-N	0	0	436.581	5.384	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@H](c4ccco4)C3)[C@@H]2c2cccs2)n1	ZINC000018212148	568836914	/nfs/dbraw/zinc/83/69/14/568836914.db2.gz	IYRMYBMNAPPNAO-VOIUYBSRSA-N	0	0	445.544	5.045	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2Cl)c1	ZINC000027532842	568838461	/nfs/dbraw/zinc/83/84/61/568838461.db2.gz	MRRRBEAXPHDOCP-OAQYLSRUSA-N	0	0	442.346	5.303	50	30		IKEARN
COc1ccc(OC)c([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000015830284	568841523	/nfs/dbraw/zinc/84/15/23/568841523.db2.gz	JBVMGXHEZSZBEG-DEOSSOPVSA-N	0	0	443.547	5.399	50	30		IKEARN
O=C(Cc1ccccc1)ON[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl	ZINC000003137403	568841846	/nfs/dbraw/zinc/84/18/46/568841846.db2.gz	NGEHLXNHZGFHNT-OAHLLOKOSA-N	0	0	443.541	5.359	50	30		IKEARN
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000025693353	568842732	/nfs/dbraw/zinc/84/27/32/568842732.db2.gz	GHIVCZQXLBRHNM-IAGONARPSA-N	0	0	428.400	5.295	50	30		IKEARN
CCCCCCCCCCCCC/C(=N\O)c1ccc(OCc2ccccc2)cc1O	ZINC000100166799	568842957	/nfs/dbraw/zinc/84/29/57/568842957.db2.gz	SIUUUJMMOFDKFF-BYCLXTJYSA-N	0	0	425.613	7.851	50	30		IKEARN
CCCCCCCCCCCCCCOc1ccccc1NC(=O)CSc1nc[nH]n1	ZINC000100813220	568843377	/nfs/dbraw/zinc/84/33/77/568843377.db2.gz	BTUQUOWASKAVIJ-UHFFFAOYSA-N	0	0	446.661	6.615	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)nc1	ZINC000100813310	568843403	/nfs/dbraw/zinc/84/34/03/568843403.db2.gz	ZJTCTMIGNODAEI-UHFFFAOYSA-N	0	0	426.671	5.469	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-]	ZINC000101016202	568843519	/nfs/dbraw/zinc/84/35/19/568843519.db2.gz	YEZKHPCJUHWFEA-UHFFFAOYSA-N	0	0	439.640	9.122	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(CC)cccc1CC	ZINC000100856257	568843533	/nfs/dbraw/zinc/84/35/33/568843533.db2.gz	RDBFAZBKSRURAG-UHFFFAOYSA-N	0	0	444.748	9.194	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)NCCN(C)c1ccccc1	ZINC000100970910	568843555	/nfs/dbraw/zinc/84/35/55/568843555.db2.gz	IEJSHGHNPDBCGX-UHFFFAOYSA-N	0	0	445.736	7.684	50	30		IKEARN
CCCCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(N)cc2)n1C	ZINC000100854442	568843559	/nfs/dbraw/zinc/84/35/59/568843559.db2.gz	JQINDLBTPFVKGD-UHFFFAOYSA-N	0	0	427.677	7.172	50	30		IKEARN
CCCCCCCCCCCCOS(=O)(=O)OCCCCCCCCCCCC	ZINC000100989499	568843562	/nfs/dbraw/zinc/84/35/62/568843562.db2.gz	DSAJRCNSPOSHPL-UHFFFAOYSA-N	0	0	434.727	8.106	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000101022724	568843643	/nfs/dbraw/zinc/84/36/43/568843643.db2.gz	IQXXHRLYVWKNRM-UHFFFAOYSA-N	0	0	439.040	8.448	50	30		IKEARN
Cc1ccc(S(=O)(=O)NN=C2C[C@@]34CC(=O)C[C@@]3(C2)CCCCCCCCCC4)cc1	ZINC000101053914	568843710	/nfs/dbraw/zinc/84/37/10/568843710.db2.gz	HEXSWHUJJPULAI-DQEYMECFSA-N	0	0	444.641	5.673	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3CC[C@@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@H]21	ZINC000230120784	568843849	/nfs/dbraw/zinc/84/38/49/568843849.db2.gz	ZJUABQDERHSYQM-SDVOOXDOSA-N	0	0	440.605	5.634	50	30		IKEARN
CC1(C)C(=S)N(c2ccc(C#N)cc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@@H]1[NH+]1CCCC1	ZINC000015861659	568848393	/nfs/dbraw/zinc/84/83/93/568848393.db2.gz	DATKXTKVNMQNCR-DZQIITJFSA-N	0	0	446.664	5.564	50	30		IKEARN
CC1(C)C(=S)N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]1[NH+]1CCCCC1	ZINC000015861668	568848463	/nfs/dbraw/zinc/84/84/63/568848463.db2.gz	BFXNDGFLRBLEOC-CMVRYFIUSA-N	0	0	435.681	6.082	50	30		IKEARN
COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3Cl)n2)cc1OC	ZINC000006162827	568848695	/nfs/dbraw/zinc/84/86/95/568848695.db2.gz	FTLCILXEGGOYDI-UHFFFAOYSA-N	0	0	439.924	5.022	50	30		IKEARN
C#CCOc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)cc1OC	ZINC000019324105	568854028	/nfs/dbraw/zinc/85/40/28/568854028.db2.gz	KUMXBCLWYXDQDC-UHFFFAOYSA-N	0	0	426.560	5.114	50	30		IKEARN
C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cc(Cl)ccc1OC	ZINC000019630704	568854942	/nfs/dbraw/zinc/85/49/42/568854942.db2.gz	XHCZBIHZEYPDEU-UHFFFAOYSA-N	0	0	439.890	6.104	50	30		IKEARN
C=CCn1c(SCCCC)nc2sc3c(c2c1=O)CCN(Cc1ccccc1)C3	ZINC000020169473	568855783	/nfs/dbraw/zinc/85/57/83/568855783.db2.gz	KYKPINDIWLUWJZ-UHFFFAOYSA-N	0	0	425.623	5.095	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccc(Cl)c(Cl)c1	ZINC000020249328	568856011	/nfs/dbraw/zinc/85/60/11/568856011.db2.gz	LSLVFBNUHJWXAG-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
CC[C@@H](C)n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Br)o1	ZINC000015906031	568858305	/nfs/dbraw/zinc/85/83/05/568858305.db2.gz	HOIJNJMZFIVZDO-LLVKDONJSA-N	0	0	438.285	5.035	50	30		IKEARN
N#Cc1ccc(-c2csc(NC(=O)c3ccc(N4CCCCCC4)c([N+](=O)[O-])c3)n2)cc1	ZINC000015913403	568858494	/nfs/dbraw/zinc/85/84/94/568858494.db2.gz	SVZKTCCJKZTOHB-UHFFFAOYSA-N	0	0	447.520	5.223	50	30		IKEARN
N#Cc1c(SCc2c(F)cccc2Cl)nc(-c2cccc(Cl)c2)c2c1CCCC2	ZINC000015981488	568861696	/nfs/dbraw/zinc/86/16/96/568861696.db2.gz	FDRHUYQCBTVIMG-UHFFFAOYSA-N	0	0	443.374	7.237	50	30		IKEARN
N#CC1(c2ccccc2)C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C/c2ccc(Cl)cc2)C1	ZINC000015978646	568861728	/nfs/dbraw/zinc/86/17/28/568861728.db2.gz	YSGMUAQEMWZWRI-NNFYUIBOSA-N	0	0	444.361	7.285	50	30		IKEARN
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@@H]1O	ZINC000029551438	568865399	/nfs/dbraw/zinc/86/53/99/568865399.db2.gz	ZGLHBRQAEXKACO-QEGQQYMASA-N	0	0	428.657	5.727	50	30		IKEARN
C=CCn1c(SCc2cn3cc(C)ccc3n2)nnc1-c1ccc(Br)cc1	ZINC000030635961	568865786	/nfs/dbraw/zinc/86/57/86/568865786.db2.gz	BPPSAVDYVLKQNX-UHFFFAOYSA-N	0	0	440.370	5.142	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1	ZINC000016037462	568867783	/nfs/dbraw/zinc/86/77/83/568867783.db2.gz	YBPJLLRZEYXKSF-ISJGIBHGSA-N	0	0	437.449	5.249	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2C#N)cc1	ZINC000006181823	568869535	/nfs/dbraw/zinc/86/95/35/568869535.db2.gz	XWAUZCYCVCOOSJ-UHFFFAOYSA-N	0	0	430.529	5.490	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(N2CCCCC2)c(Cl)c1	ZINC000016249469	568874924	/nfs/dbraw/zinc/87/49/24/568874924.db2.gz	WEPWUHCHSCUQMQ-RWPZCVJISA-N	0	0	443.938	5.768	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006196391	568877125	/nfs/dbraw/zinc/87/71/25/568877125.db2.gz	SXGKIBBXSOFHPJ-VWLOTQADSA-N	0	0	444.575	5.636	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCC(=O)OC(C)C)n2)cc1	ZINC000006246022	568880701	/nfs/dbraw/zinc/88/07/01/568880701.db2.gz	YETZAFZJEYEBLF-UHFFFAOYSA-N	0	0	436.964	6.293	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C(Nc2cccc(C(F)(F)F)c2)c2ccc(F)cc2)cc1	ZINC000006235128	568880782	/nfs/dbraw/zinc/88/07/82/568880782.db2.gz	IBYCJSJPFRQFIP-UHFFFAOYSA-N	0	0	436.430	5.401	50	30		IKEARN
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1	ZINC000100311451	568884391	/nfs/dbraw/zinc/88/43/91/568884391.db2.gz	JYTIZSQDKOCWQI-UHFFFAOYSA-N	0	0	446.760	10.286	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccn1	ZINC000016400156	568887508	/nfs/dbraw/zinc/88/75/08/568887508.db2.gz	WGBPAZJWJQUBBF-UHFFFAOYSA-N	0	0	448.857	5.418	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C(\C(C)=O)C(=O)Nc2cc(Cl)ccc2C)cc1	ZINC000102965346	568891043	/nfs/dbraw/zinc/89/10/43/568891043.db2.gz	DLMGCQGOUGKKMW-JJIBRWJFSA-N	0	0	441.999	6.999	50	30		IKEARN
CC1CCN(S(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4)cc3)cc2)CC1	ZINC000014361398	568893193	/nfs/dbraw/zinc/89/31/93/568893193.db2.gz	XYCQLOHKGJQYFM-CXUHLZMHSA-N	0	0	445.584	5.670	50	30		IKEARN
O=C(/C=C/c1ccccc1OC(=O)c1ccc(OC(F)F)cc1)c1cc2ccccc2o1	ZINC000014359758	568893242	/nfs/dbraw/zinc/89/32/42/568893242.db2.gz	ZNRKPXHGFKQTEU-SDNWHVSQSA-N	0	0	434.394	6.150	50	30		IKEARN
CCN1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1	ZINC000025157596	568895505	/nfs/dbraw/zinc/89/55/05/568895505.db2.gz	WCOCFSZLWNCZDP-CKOAPEAFSA-N	0	0	441.185	6.672	50	30		IKEARN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCCC2)cc1	ZINC000033703578	568896116	/nfs/dbraw/zinc/89/61/16/568896116.db2.gz	LGCPWEPBLZUWIX-AQTBWJFISA-N	0	0	432.376	5.875	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C3/CCc4c(C)cc(C)cc4C3=O)cc2[N+](=O)[O-])cc1	ZINC000033614801	568896185	/nfs/dbraw/zinc/89/61/85/568896185.db2.gz	YTNJANKVPNWBIP-ZHZULCJRSA-N	0	0	429.541	6.884	50	30		IKEARN
Cc1sc(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(Cl)ccc23)c(C#N)c1C	ZINC000006428708	568897482	/nfs/dbraw/zinc/89/74/82/568897482.db2.gz	JXJTVKIJMDHEPL-UHFFFAOYSA-N	0	0	432.936	6.061	50	30		IKEARN
N#CC1(c2ccccc2)C/C(=C/c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1	ZINC000096400369	568899188	/nfs/dbraw/zinc/89/91/88/568899188.db2.gz	YSGMUAQEMWZWRI-HHQODBOJSA-N	0	0	444.361	7.285	50	30		IKEARN
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccc3c4c(cccc42)CC3)c1[O-]	ZINC000016450167	568903572	/nfs/dbraw/zinc/90/35/72/568903572.db2.gz	QGFPTXKQJJTOIN-RWPZCVJISA-N	0	0	442.902	6.547	50	30		IKEARN
C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N\N=C\c1ccc(OC)cc1	ZINC000001776048	568906530	/nfs/dbraw/zinc/90/65/30/568906530.db2.gz	PZZFPISBOBBHCJ-MUESUYGVSA-N	0	0	448.375	5.065	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NCCc1ccccc1	ZINC000006446134	568907515	/nfs/dbraw/zinc/90/75/15/568907515.db2.gz	PHJNNKLPRMLXJA-UHFFFAOYSA-N	0	0	449.579	5.738	50	30		IKEARN
O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl	ZINC000001793194	568908097	/nfs/dbraw/zinc/90/80/97/568908097.db2.gz	IGBNYMXRBBOXEL-ZPKJPUMHSA-N	0	0	435.936	5.505	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1S[C@H](CCC1CC1)c1ccccc1	ZINC000006457440	568908196	/nfs/dbraw/zinc/90/81/96/568908196.db2.gz	CVDRPHRLIKSYGK-HSZRJFAPSA-N	0	0	438.518	7.663	50	30		IKEARN
O=C(N(C1CCCCC1)C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000001816343	568915246	/nfs/dbraw/zinc/91/52/46/568915246.db2.gz	ACOVZVSVXFHXOI-UHFFFAOYSA-N	0	0	427.351	5.949	50	30		IKEARN
O=C(N(Cc1ccccc1)Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000001817168	568915259	/nfs/dbraw/zinc/91/52/59/568915259.db2.gz	VESMOZAZGAECCZ-UHFFFAOYSA-N	0	0	443.309	5.684	50	30		IKEARN
Cc1ccc(OC2=CC(=O)c3c4c2noc4c2ccccc2c3OC(=O)c2ccccc2)cc1	ZINC000001833043	568915936	/nfs/dbraw/zinc/91/59/36/568915936.db2.gz	AKRRLNBWYNAKOB-UHFFFAOYSA-N	0	0	447.446	6.125	50	30		IKEARN
CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1c2c(ccc1O)oc1c2CCCC1	ZINC000001834944	568916140	/nfs/dbraw/zinc/91/61/40/568916140.db2.gz	WCYAVJNHHMCZKO-MZJWZYIUSA-N	0	0	445.540	6.673	50	30		IKEARN
CCOc1ccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-]	ZINC000001840596	568916401	/nfs/dbraw/zinc/91/64/01/568916401.db2.gz	UCTZFVOFMWJZOB-AWEZNQCLSA-N	0	0	427.526	5.330	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1	ZINC000026796267	568916939	/nfs/dbraw/zinc/91/69/39/568916939.db2.gz	VWXTVVQQICHXTF-UHFFFAOYSA-N	0	0	427.554	5.763	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)ccc1Cl	ZINC000001881414	568917360	/nfs/dbraw/zinc/91/73/60/568917360.db2.gz	RRYSWENITSUWEL-YSURURNPSA-N	0	0	446.677	7.114	50	30		IKEARN
Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2/C=C/C(=O)c2ccccc2)cc1	ZINC000001902895	568918579	/nfs/dbraw/zinc/91/85/79/568918579.db2.gz	SWUMXSRWWQVLQO-BUCZBDGVSA-N	0	0	434.560	7.431	50	30		IKEARN
O=C(Oc1ccc(/C=C2\S/C(=N\c3ccccc3)NC2=O)cc1)c1ccccc1Cl	ZINC000006473686	568920055	/nfs/dbraw/zinc/92/00/55/568920055.db2.gz	JHESMKBRSVCFND-ZHZULCJRSA-N	0	0	434.904	5.451	50	30		IKEARN
CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1[N+](=O)[O-]	ZINC000016511611	568920405	/nfs/dbraw/zinc/92/04/05/568920405.db2.gz	PFOUTHINLBXPLA-OGLMXYFKSA-N	0	0	436.471	6.210	50	30		IKEARN
N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Cl)cc1Cl	ZINC000016524895	568921057	/nfs/dbraw/zinc/92/10/57/568921057.db2.gz	OQJZSEOBQYODCN-UHFFFAOYSA-N	0	0	430.316	6.053	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1	ZINC000016578006	568922896	/nfs/dbraw/zinc/92/28/96/568922896.db2.gz	KVMFIBFCXDEJNW-LJQANCHMSA-N	0	0	446.547	5.901	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O	ZINC000016577983	568922900	/nfs/dbraw/zinc/92/29/00/568922900.db2.gz	CBNPQCAWVGCRDG-HXUWFJFHSA-N	0	0	443.341	5.385	50	30		IKEARN
CC(C)(C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1	ZINC000001921036	568923318	/nfs/dbraw/zinc/92/33/18/568923318.db2.gz	LZMWNURKEQTKJC-VULFUBBASA-N	0	0	449.348	7.011	50	30		IKEARN
CCCCOc1ccc(/N=C2/c3ccccc3N(CN3CCc4ccccc4C3)C2=O)cc1	ZINC000016639169	568927531	/nfs/dbraw/zinc/92/75/31/568927531.db2.gz	PZHSHECGOCXJSU-OHYPFYFLSA-N	0	0	439.559	5.349	50	30		IKEARN
CCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C)c(C)c3)S2)cc1	ZINC000006500780	568927854	/nfs/dbraw/zinc/92/78/54/568927854.db2.gz	OUUOMCCLLYKORX-TYGLDRHGSA-N	0	0	439.581	5.072	50	30		IKEARN
N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(O)cc1)CCCC2	ZINC000002027081	568931859	/nfs/dbraw/zinc/93/18/59/568931859.db2.gz	HYJXHVWPNGIWMA-UHFFFAOYSA-N	0	0	430.529	5.040	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OCc1ccccc1	ZINC000002028176	568934713	/nfs/dbraw/zinc/93/47/13/568934713.db2.gz	IDQORKWCGQHRQS-UHFFFAOYSA-N	0	0	436.536	6.123	50	30		IKEARN
CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)c1	ZINC000089573830	568937941	/nfs/dbraw/zinc/93/79/41/568937941.db2.gz	ARHNADHKODIXKB-QGZVFWFLSA-N	0	0	444.512	5.096	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1	ZINC000027017860	568937999	/nfs/dbraw/zinc/93/79/99/568937999.db2.gz	GCEVMCSEUDKBBE-HMMYKYKNSA-N	0	0	445.540	6.136	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCC	ZINC000002059346	568940959	/nfs/dbraw/zinc/94/09/59/568940959.db2.gz	MRUDZENISIYLSZ-LDADJPATSA-N	0	0	442.309	5.066	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1	ZINC000169618329	568969402	/nfs/dbraw/zinc/96/94/02/568969402.db2.gz	YBPJLLRZEYXKSF-UBFVSLLYSA-N	0	0	437.449	5.249	50	30		IKEARN
N#Cc1cccc(CSc2nc(Oc3ccc4c(c3)OCO4)cc(-c3ccccc3)n2)c1	ZINC000036349471	569081726	/nfs/dbraw/zinc/08/17/26/569081726.db2.gz	MVKLEDWYCAQLBQ-UHFFFAOYSA-N	0	0	439.496	5.829	50	30		IKEARN
Cc1c(=O)c2cccc(-c3nc(C#N)c(NCc4cccnc4)o3)c2oc1-c1ccccc1	ZINC000036359877	569086505	/nfs/dbraw/zinc/08/65/05/569086505.db2.gz	YUHSYLPRQXPYTE-UHFFFAOYSA-N	0	0	434.455	5.302	50	30		IKEARN
Cc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)c2c1	ZINC000065034384	569092009	/nfs/dbraw/zinc/09/20/09/569092009.db2.gz	WCACJYIRFNTWQI-UHFFFAOYSA-N	0	0	438.453	5.289	50	30		IKEARN
COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4sc(C)c(C)c4C#N)c32)cc1	ZINC000036619151	569124701	/nfs/dbraw/zinc/12/47/01/569124701.db2.gz	BUXPMBOJDBDKLA-UHFFFAOYSA-N	0	0	444.516	5.578	50	30		IKEARN
N#Cc1nc(-c2cccc3ccccc32)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238950316	569137994	/nfs/dbraw/zinc/13/79/94/569137994.db2.gz	XRSQTRYZKZINBP-DEOSSOPVSA-N	0	0	444.485	5.894	50	30		IKEARN
N#Cc1nc(-c2cccc3ccccc32)oc1S(=O)(=O)Cc1ccc(Cl)cc1Cl	ZINC000170623865	569148383	/nfs/dbraw/zinc/14/83/83/569148383.db2.gz	YAFNJFIUBLLUEG-UHFFFAOYSA-N	0	0	443.311	5.647	50	30		IKEARN
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSCc2cccc(C#N)c2)cc1	ZINC000009882247	569149504	/nfs/dbraw/zinc/14/95/04/569149504.db2.gz	WCLXRLMXNYGZMR-RUZDIDTESA-N	0	0	441.556	5.178	50	30		IKEARN
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1	ZINC000016728812	569160534	/nfs/dbraw/zinc/16/05/34/569160534.db2.gz	GDKGJDBCJYJCEA-UHFFFAOYSA-N	0	0	442.506	7.029	50	30		IKEARN
Cc1ccccc1C(=O)N[C@@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl	ZINC000002071612	569162192	/nfs/dbraw/zinc/16/21/92/569162192.db2.gz	MJLKQVLUJLZLEN-SFHVURJKSA-N	0	0	442.799	5.345	50	30		IKEARN
CN1CCc2c(sc(NC(=O)c3ccc(C#N)cc3)c2-c2nc3ccccc3s2)C1	ZINC000016837181	569162490	/nfs/dbraw/zinc/16/24/90/569162490.db2.gz	LZBVPIXGKVMDTF-UHFFFAOYSA-N	0	0	430.558	5.137	50	30		IKEARN
Cc1ccc(Cl)c(O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	ZINC000017097324	569172702	/nfs/dbraw/zinc/17/27/02/569172702.db2.gz	MCSNZOBIVIMKIB-GJZGRUSLSA-N	0	0	431.001	6.139	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1	ZINC000017097180	569173143	/nfs/dbraw/zinc/17/31/43/569173143.db2.gz	INKNDIJRHADGJW-QFIPXVFZSA-N	0	0	430.577	5.537	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O	ZINC000008916802	569174628	/nfs/dbraw/zinc/17/46/28/569174628.db2.gz	HEBKHGUEIXZJEZ-VWLOTQADSA-N	0	0	440.499	5.218	50	30		IKEARN
C=CCc1ccccc1OCCn1cccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O	ZINC000001120899	569176852	/nfs/dbraw/zinc/17/68/52/569176852.db2.gz	QAAFDBZEQKJOJV-OQKWZONESA-N	0	0	432.907	5.294	50	30		IKEARN
CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(CC)c3C#N)c3ccccc3n2)cc1	ZINC000002084399	569177286	/nfs/dbraw/zinc/17/72/86/569177286.db2.gz	JXMDZSSHAKRNCM-UHFFFAOYSA-N	0	0	441.556	6.357	50	30		IKEARN
CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1	ZINC000002771724	569177357	/nfs/dbraw/zinc/17/73/57/569177357.db2.gz	INMBJBTYRUWKEK-VJGNERBWSA-N	0	0	445.522	5.370	50	30		IKEARN
N#Cc1c2c(sc1/N=c1\oc3ccccc3cc1C(=O)Nc1ccccc1F)CCCC2	ZINC000002088938	569177384	/nfs/dbraw/zinc/17/73/84/569177384.db2.gz	BRAMISPCCLCSJD-OLFWJLLRSA-N	0	0	443.503	5.869	50	30		IKEARN
C=CCOc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OCC=C	ZINC000002080971	569177665	/nfs/dbraw/zinc/17/76/65/569177665.db2.gz	XJNSOQAZJDGWSF-GIJQJNRQSA-N	0	0	431.822	5.092	50	30		IKEARN
N#CCCn1cc(C(=O)Nc2ccc(Cl)cc2)c(-c2cccc(Br)c2)n1	ZINC000003372190	569177802	/nfs/dbraw/zinc/17/78/02/569177802.db2.gz	MMPWRTTZBDZGPZ-UHFFFAOYSA-N	0	0	429.705	5.132	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002446836	569180870	/nfs/dbraw/zinc/18/08/70/569180870.db2.gz	RJGPKGONOZJSLG-UHFFFAOYSA-N	0	0	434.609	5.776	50	30		IKEARN
CCCCOc1ccc(/C=N/c2ccc(/N=C/c3ccc(OCCCC)cc3)cc2)cc1	ZINC000017886109	569181042	/nfs/dbraw/zinc/18/10/42/569181042.db2.gz	JGPJVRJLTHAEQE-VFIVCBTMSA-N	0	0	428.576	7.546	50	30		IKEARN
CCCCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OC	ZINC000002111131	569181964	/nfs/dbraw/zinc/18/19/64/569181964.db2.gz	GMLLHNJKYTUSNS-XEKAQFCISA-N	0	0	448.607	5.682	50	30	biogenic	IKEARN
COC(=O)c1ccc(/C=C2\C[C@@H](C(C)(C)C)C/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1	ZINC000252346960	569183038	/nfs/dbraw/zinc/18/30/38/569183038.db2.gz	NADWIFYTOHURMR-BUBJVVLKSA-N	0	0	446.543	5.752	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2ccc(OCc3ccccc3)cc2)cc1	ZINC000252429407	569183364	/nfs/dbraw/zinc/18/33/64/569183364.db2.gz	LGYHSGZFCNGXQQ-UHFFFAOYSA-N	0	0	442.588	5.993	50	30		IKEARN
COc1cccc(C=Nc2ccc(Oc3ccc(N=Cc4cccc(OC)c4)cc3)cc2)c1	ZINC000252462270	569184601	/nfs/dbraw/zinc/18/46/01/569184601.db2.gz	REABBRDBSQZLRC-UHFFFAOYSA-N	0	0	436.511	6.997	50	30		IKEARN
C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1ccc(C)cc1	ZINC000002544623	569185890	/nfs/dbraw/zinc/18/58/90/569185890.db2.gz	KMERTBHANXBNDF-UHFFFAOYSA-N	0	0	441.988	5.077	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)c1cccc2ccccc21	ZINC000002553330	569185929	/nfs/dbraw/zinc/18/59/29/569185929.db2.gz	KTXMQIHTBDFOMA-YZSQISJMSA-N	0	0	425.513	5.380	50	30		IKEARN
Cc1ccc(C(=O)C2=C(N)N(c3ccccc3)C3=C(C(=O)CCC3)[C@@H]2c2ccccc2)cc1	ZINC000002151252	569187292	/nfs/dbraw/zinc/18/72/92/569187292.db2.gz	OOGDDBUSRLZRGE-VWLOTQADSA-N	0	0	434.539	5.659	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c(OC)c1	ZINC000002157999	569187742	/nfs/dbraw/zinc/18/77/42/569187742.db2.gz	ZVQLILDKBSPAFO-JJFYIABZSA-N	0	0	436.847	5.193	50	30	biogenic	IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000252590122	569191730	/nfs/dbraw/zinc/19/17/30/569191730.db2.gz	APCLDDMGYLAZJK-LSQMVHIFSA-N	0	0	437.524	5.167	50	30		IKEARN
Nc1ccccc1N=C1c2ccccc2C(=O)C(Cc2ccccc2)=C1C(=O)c1ccccc1	ZINC000252591339	569192666	/nfs/dbraw/zinc/19/26/66/569192666.db2.gz	AZWFQHSZUVISBN-UHFFFAOYSA-N	0	0	442.518	6.008	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(OC)c1	ZINC000252593815	569192820	/nfs/dbraw/zinc/19/28/20/569192820.db2.gz	BMJXXZBZQDANFB-DNKROPNVSA-N	0	0	444.556	5.551	50	30		IKEARN
Cc1ccc(-c2csc3ncnc(N=NCc4cc(Br)ccc4O)c23)cc1	ZINC000252593024	569192828	/nfs/dbraw/zinc/19/28/28/569192828.db2.gz	BIADEPGWLZNDBS-UHFFFAOYSA-N	0	0	439.338	5.581	50	30		IKEARN
N#Cc1c2c(sc1N=Cc1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCCC2	ZINC000252593067	569192836	/nfs/dbraw/zinc/19/28/36/569192836.db2.gz	BIUDHHGXKJUKGD-UHFFFAOYSA-N	0	0	441.383	7.135	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O	ZINC000002204960	569192945	/nfs/dbraw/zinc/19/29/45/569192945.db2.gz	SLFGTAACOOUBFU-UHFFFAOYSA-N	0	0	425.536	5.562	50	30		IKEARN
Clc1ccccc1/C=C/C=Nc1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000252594606	569192975	/nfs/dbraw/zinc/19/29/75/569192975.db2.gz	BTYMLZPPNWAYDA-PZAPUMBBSA-N	0	0	437.724	7.326	50	30		IKEARN
CCOc1cc(N(CC)CC)ccc1/C=C1/SC(=Nc2ccc(OC)cc2)N(C)C1=O	ZINC000252596229	569193169	/nfs/dbraw/zinc/19/31/69/569193169.db2.gz	CHLBOIBYKICALE-LAJNNLEESA-N	0	0	439.581	5.174	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1	ZINC000252595875	569193179	/nfs/dbraw/zinc/19/31/79/569193179.db2.gz	CETBOSDRFADZJF-DNKROPNVSA-N	0	0	445.588	6.117	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252596074	569193181	/nfs/dbraw/zinc/19/31/81/569193181.db2.gz	CGSSCFISYSKLIY-KAWQFOENSA-N	0	0	435.892	6.057	50	30		IKEARN
Cc1cc2c(c(C)c1)NC(=O)/C2=C1\SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252597907	569193399	/nfs/dbraw/zinc/19/33/99/569193399.db2.gz	CWAFIWKLHMDAAM-ZYATYYCISA-N	0	0	425.513	5.434	50	30		IKEARN
Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)cc1Cl	ZINC000252598962	569193499	/nfs/dbraw/zinc/19/34/99/569193499.db2.gz	DFQZKDUCCMXISQ-UHFFFAOYSA-N	0	0	442.354	5.358	50	30		IKEARN
N#Cc1ccccc1CN=Nc1nc2ccc(Br)cc2c(-c2ccccc2)n1	ZINC000252598787	569193536	/nfs/dbraw/zinc/19/35/36/569193536.db2.gz	DDYZKPVBNJSCGY-UHFFFAOYSA-N	0	0	428.293	5.377	50	30	aggregator	IKEARN
CCOc1cc(-c2nc3ccccn3c2N=Cc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000252601719	569193627	/nfs/dbraw/zinc/19/36/27/569193627.db2.gz	FBWGKZHVGGZGHK-UHFFFAOYSA-N	0	0	436.855	5.418	50	30		IKEARN
CCOc1ccc(N2CCc3c2nc2ccccc2c3N=C2CCCN2c2ccccc2)cc1	ZINC000252602416	569193957	/nfs/dbraw/zinc/19/39/57/569193957.db2.gz	FHPIWDILPWBGPQ-UHFFFAOYSA-N	0	0	448.570	6.658	50	30		IKEARN
C=CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002210099	569194151	/nfs/dbraw/zinc/19/41/51/569194151.db2.gz	SDAQVULZGDLZRJ-UHFFFAOYSA-N	0	0	428.601	6.065	50	30		IKEARN
N#Cc1c(N=Cc2cccc(Br)c2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000252603915	569194176	/nfs/dbraw/zinc/19/41/76/569194176.db2.gz	FULZOGCXGAKRCN-UHFFFAOYSA-N	0	0	427.301	6.998	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1C	ZINC000252603611	569194195	/nfs/dbraw/zinc/19/41/95/569194195.db2.gz	FSNQOLKXMCXULO-WPCCGSCNSA-N	0	0	428.513	5.841	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252606332	569194500	/nfs/dbraw/zinc/19/45/00/569194500.db2.gz	GRDGUXROMHEQPC-SIFMURAYSA-N	0	0	428.557	6.326	50	30		IKEARN
Cc1c(N=Cc2ccccc2OCCOc2ccc(C)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000252606608	569194508	/nfs/dbraw/zinc/19/45/08/569194508.db2.gz	GTTLREYZOWNBHV-UHFFFAOYSA-N	0	0	441.531	5.001	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1	ZINC000252607171	569194512	/nfs/dbraw/zinc/19/45/12/569194512.db2.gz	GYWBLQYMNLXOHM-ZRAGWZJNSA-N	0	0	448.519	5.647	50	30		IKEARN
COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000252607004	569194539	/nfs/dbraw/zinc/19/45/39/569194539.db2.gz	GXMBUPUSJQJUTO-MPVWDOOLSA-N	0	0	430.529	5.508	50	30		IKEARN
O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccco1	ZINC000252606819	569194549	/nfs/dbraw/zinc/19/45/49/569194549.db2.gz	GVSWZUGWKHMTRH-MMKHHPBPSA-N	0	0	443.572	6.074	50	30		IKEARN
CCCCNC(=O)CSc1nc2ccc(N=Cc3c(O)ccc4ccccc43)cc2s1	ZINC000252608355	569195175	/nfs/dbraw/zinc/19/51/75/569195175.db2.gz	HJSUGTMSMSAVIU-UHFFFAOYSA-N	0	0	449.601	5.914	50	30		IKEARN
C=CCN1C(=O)/C(=C2\Sc3ccccc3N2CC)SC1=Nc1ccc(OCC)cc1	ZINC000252608131	569195208	/nfs/dbraw/zinc/19/52/08/569195208.db2.gz	HGYGCBBSDLDYLK-QLMUGPIMSA-N	0	0	437.590	5.636	50	30		IKEARN
COc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3OC)cc2)cc1	ZINC000252608524	569195223	/nfs/dbraw/zinc/19/52/23/569195223.db2.gz	HKYJFJYBGMISHG-UHFFFAOYSA-N	0	0	436.511	6.997	50	30		IKEARN
COc1cc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)ccc1O	ZINC000252611704	569197284	/nfs/dbraw/zinc/19/72/84/569197284.db2.gz	ILWWEQVPBZWVPB-UHFFFAOYSA-N	0	0	427.835	5.643	50	30		IKEARN
N#Cc1c2c(sc1N=Cc1ccc(OCc3ccc(Cl)cc3Cl)cc1)CCC2	ZINC000252612217	569197375	/nfs/dbraw/zinc/19/73/75/569197375.db2.gz	IQISPTBTJSQPJU-UHFFFAOYSA-N	0	0	427.356	6.745	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1	ZINC000252612918	569197466	/nfs/dbraw/zinc/19/74/66/569197466.db2.gz	IXCUEUGQJZAPJT-MPVWDOOLSA-N	0	0	437.609	5.977	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2C)SC1=Nc1cc(C)ccc1C	ZINC000252614479	569197522	/nfs/dbraw/zinc/19/75/22/569197522.db2.gz	JKBFETATFPMYJS-HXUWFJFHSA-N	0	0	441.984	5.412	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252614431	569197564	/nfs/dbraw/zinc/19/75/64/569197564.db2.gz	JJFHRYQLFXFWNT-IGUOQJQCSA-N	0	0	434.948	6.471	50	30		IKEARN
COc1cccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1O	ZINC000252616694	569197646	/nfs/dbraw/zinc/19/76/46/569197646.db2.gz	KDRHSIVWJBNKAY-FLDUPFSJSA-N	0	0	430.529	5.248	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(C=Nc3ccc4c(c3)nc(C)n4-c3ccccc3)cc2)cc1	ZINC000252616664	569197723	/nfs/dbraw/zinc/19/77/23/569197723.db2.gz	KDBLRYRHQDNAKV-UHFFFAOYSA-N	0	0	445.522	6.677	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=Nc1ccccc1	ZINC000252616902	569197733	/nfs/dbraw/zinc/19/77/33/569197733.db2.gz	KIDYNMCMMLZZCH-AWAAXKIWSA-N	0	0	449.488	5.487	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(C)c2C)SC1=Nc1ccc(C)c(Cl)c1	ZINC000252617476	569197822	/nfs/dbraw/zinc/19/78/22/569197822.db2.gz	KTPDPPXJUVXQGD-HXUWFJFHSA-N	0	0	441.984	5.412	50	30		IKEARN
Cc1cccc(N=C2S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2cccc(C)c2)c1	ZINC000252618120	569197833	/nfs/dbraw/zinc/19/78/33/569197833.db2.gz	LECXDHANEYQVFW-YZWRYSEFSA-N	0	0	428.513	5.841	50	30		IKEARN
O=C(Nc1sc2c(c1C=NNc1ccc3ccccc3c1)CCCC2)c1ccccc1	ZINC000252617947	569197839	/nfs/dbraw/zinc/19/78/39/569197839.db2.gz	LCAYHXHPNCUWRB-UHFFFAOYSA-N	0	0	425.557	6.478	50	30		IKEARN
CC(=NOC(=O)Nc1ccc(C)c(NC(=O)ON=C(C)c2ccccc2)c1)c1ccccc1	ZINC000252620556	569199321	/nfs/dbraw/zinc/19/93/21/569199321.db2.gz	MGQARQKZPBWNEO-UHFFFAOYSA-N	0	0	444.491	5.940	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000252620823	569201412	/nfs/dbraw/zinc/20/14/12/569201412.db2.gz	MMQCPIFJAXNHKY-UNHHPBJVSA-N	0	0	428.557	6.434	50	30		IKEARN
C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1	ZINC000252621909	569201777	/nfs/dbraw/zinc/20/17/77/569201777.db2.gz	NJYHHTCFAHCIPJ-HNRBIFIRSA-N	0	0	428.579	7.315	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000252622070	569201779	/nfs/dbraw/zinc/20/17/79/569201779.db2.gz	NOASPRHBQUYARN-SMIHKQSGSA-N	0	0	436.902	5.019	50	30		IKEARN
C=CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002212389	569201781	/nfs/dbraw/zinc/20/17/81/569201781.db2.gz	FYDGJEFSRSYYPS-UHFFFAOYSA-N	0	0	428.601	6.065	50	30		IKEARN
CC(C)COc1ccc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000252622348	569201858	/nfs/dbraw/zinc/20/18/58/569201858.db2.gz	NTITWBAYXKMOTE-UYJNXHFOSA-N	0	0	442.584	6.526	50	30		IKEARN
Clc1ccccc1C=Nc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1	ZINC000252622524	569201886	/nfs/dbraw/zinc/20/18/86/569201886.db2.gz	NXJXNXLKSDAELX-UHFFFAOYSA-N	0	0	433.942	7.610	50	30		IKEARN
Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2ccc(Br)cc2)n1	ZINC000252622846	569202066	/nfs/dbraw/zinc/20/20/66/569202066.db2.gz	ODZQYOZRBGRAMF-UHFFFAOYSA-N	0	0	445.320	5.725	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2cccc(O)c2)C(=O)N1c1ccccc1CC	ZINC000252623891	569202254	/nfs/dbraw/zinc/20/22/54/569202254.db2.gz	PBRJFQKUOYRTIB-DNKROPNVSA-N	0	0	428.557	6.326	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000252624210	569202614	/nfs/dbraw/zinc/20/26/14/569202614.db2.gz	PIYTUXFPRDSHRQ-UNHHPBJVSA-N	0	0	428.557	6.434	50	30		IKEARN
Cc1cc(=O)oc2c1ccc(O)c2CN=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000252624418	569202820	/nfs/dbraw/zinc/20/28/20/569202820.db2.gz	PNORUVCVLCSBBV-UHFFFAOYSA-N	0	0	448.482	5.377	50	30		IKEARN
Oc1ccc(N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1	ZINC000252624826	569202879	/nfs/dbraw/zinc/20/28/79/569202879.db2.gz	PVZCVHBQXAGIBJ-SKDFXZMKSA-N	0	0	435.346	6.847	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2	ZINC000252624762	569202896	/nfs/dbraw/zinc/20/28/96/569202896.db2.gz	PUPPBZVRWXBMAI-KDJMRDEISA-N	0	0	433.559	6.256	50	30		IKEARN
Cc1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3c(C)cccc3C)C2=O)s1	ZINC000252625635	569203209	/nfs/dbraw/zinc/20/32/09/569203209.db2.gz	QOFSONJZHICVCA-DZQLAOGOSA-N	0	0	432.614	7.099	50	30		IKEARN
Cc1ccc(N=C2SC(=NN=Cc3ccccc3O)N=C2Nc2ccc(C)cc2)cc1	ZINC000252626025	569203214	/nfs/dbraw/zinc/20/32/14/569203214.db2.gz	QUQPMXIGAFXLML-UHFFFAOYSA-N	0	0	427.533	5.496	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1OC	ZINC000252626181	569203250	/nfs/dbraw/zinc/20/32/50/569203250.db2.gz	QXYJCFCFJPHJHK-GUGSDYAWSA-N	0	0	444.556	6.129	50	30		IKEARN
CCOc1ccc(-c2csc(=NN=C(C)c3ccc(Br)cc3)n2C)cc1	ZINC000252626162	569203313	/nfs/dbraw/zinc/20/33/13/569203313.db2.gz	QXTMKZXSDMTSPV-UHFFFAOYSA-N	0	0	430.371	5.240	50	30		IKEARN
COc1cccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000252626584	569203390	/nfs/dbraw/zinc/20/33/90/569203390.db2.gz	RBRZIZZMGSUBAI-GQUXDKRHSA-N	0	0	444.556	6.129	50	30		IKEARN
C=CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1	ZINC000252626659	569203410	/nfs/dbraw/zinc/20/34/10/569203410.db2.gz	RCXMEQWTKYVIIY-POSJOTSYSA-N	0	0	448.400	6.154	50	30		IKEARN
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Cl)c(Cl)c1	ZINC000252626658	569203415	/nfs/dbraw/zinc/20/34/15/569203415.db2.gz	RCXMEQWTKYVIIY-LNRIGYFWSA-N	0	0	448.400	6.154	50	30		IKEARN
COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O	ZINC000252627158	569203429	/nfs/dbraw/zinc/20/34/29/569203429.db2.gz	RNUUUNQDFWLRLC-SKYIDQJDSA-N	0	0	436.920	5.863	50	30		IKEARN
COc1ccc(-c2nc(N=Cc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000252627332	569203545	/nfs/dbraw/zinc/20/35/45/569203545.db2.gz	RSAOEYAJYLAAKS-UHFFFAOYSA-N	0	0	431.473	5.850	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O	ZINC000252628716	569203815	/nfs/dbraw/zinc/20/38/15/569203815.db2.gz	SWCRZESAOKBJCZ-UHFFFAOYSA-N	0	0	441.256	5.861	50	30		IKEARN
O=C(Oc1cccc(C=Nc2ccc(Cl)cc2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000252629500	569203839	/nfs/dbraw/zinc/20/38/39/569203839.db2.gz	UHOGWYKLSXUNRB-UHFFFAOYSA-N	0	0	425.784	5.126	50	30		IKEARN
Clc1ccc(/C=C/C=Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1	ZINC000252629728	569203851	/nfs/dbraw/zinc/20/38/51/569203851.db2.gz	UMMQOWRJBFAPFS-BGEXJYOBSA-N	0	0	427.718	7.871	50	30		IKEARN
Cc1ccc(C)c2c1NC(=O)/C2=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252629903	569203948	/nfs/dbraw/zinc/20/39/48/569203948.db2.gz	UPYQLDIQRLVHEO-ZOXZCZEASA-N	0	0	425.513	5.434	50	30		IKEARN
N#Cc1c2c(sc1N=Cc1ccccc1OCc1ccc(Cl)cc1Cl)CCCC2	ZINC000252629953	569204116	/nfs/dbraw/zinc/20/41/16/569204116.db2.gz	URASCPXDCZNQTG-UHFFFAOYSA-N	0	0	441.383	7.135	50	30		IKEARN
C=C(C)CSc1nnc2c3c4c(sc3nc(-c3ccccc3Cl)n12)CCCC4	ZINC000002218433	569204201	/nfs/dbraw/zinc/20/42/01/569204201.db2.gz	BPQMDWAIKAXFSB-UHFFFAOYSA-N	0	0	426.998	6.206	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)c1cccs1	ZINC000002222059	569204572	/nfs/dbraw/zinc/20/45/72/569204572.db2.gz	SYTLBLXMSPZHGW-YVLHZVERSA-N	0	0	427.275	5.346	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cccc2ccccc21	ZINC000252632017	569204861	/nfs/dbraw/zinc/20/48/61/569204861.db2.gz	VOFBKTRGDNDUCS-QFIPXVFZSA-N	0	0	429.545	5.295	50	30		IKEARN
CCCCN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1ccccc1	ZINC000252632475	569204880	/nfs/dbraw/zinc/20/48/80/569204880.db2.gz	VUGMMPHYXGXGSI-JOCHJYFZSA-N	0	0	431.561	5.600	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000252632068	569204898	/nfs/dbraw/zinc/20/48/98/569204898.db2.gz	VPPYNVKVOBODLN-SIFMURAYSA-N	0	0	427.573	6.178	50	30		IKEARN
Cc1ccc(C(=O)c2c(/C=C/c3ccc(N(C)C)cc3)oc3cc(C#N)c(C#N)cc32)cc1	ZINC000066089264	569205710	/nfs/dbraw/zinc/20/57/10/569205710.db2.gz	XOKRZCINIOKPRL-MDWZMJQESA-N	0	0	431.495	5.952	50	30		IKEARN
CC(=NOCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1	ZINC000252634248	569206884	/nfs/dbraw/zinc/20/68/84/569206884.db2.gz	WLRGDZXANHXURB-UHFFFAOYSA-N	0	0	441.512	5.926	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1	ZINC000252634616	569207203	/nfs/dbraw/zinc/20/72/03/569207203.db2.gz	WPFBBTWDGNTPRR-UHFFFAOYSA-N	0	0	427.685	6.367	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1	ZINC000252634793	569207799	/nfs/dbraw/zinc/20/77/99/569207799.db2.gz	WQVAFROCZAAHDK-SYVFOUEHSA-N	0	0	445.382	5.698	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3cc(OC)c(OC)cc3Cl)C(=O)N2CC)cc1	ZINC000252635896	569207962	/nfs/dbraw/zinc/20/79/62/569207962.db2.gz	XBISUPUJBROKNQ-NYUHAYNDSA-N	0	0	446.956	5.380	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1	ZINC000252635528	569207967	/nfs/dbraw/zinc/20/79/67/569207967.db2.gz	WXWAAZQLYYRCHU-IBORXNHRSA-N	0	0	440.565	5.507	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1ccccc1	ZINC000252635660	569207984	/nfs/dbraw/zinc/20/79/84/569207984.db2.gz	WZCYQMKGKHOEPA-BZMHFZIGSA-N	0	0	425.579	5.469	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1ccc(C)cc1C	ZINC000252635574	569207985	/nfs/dbraw/zinc/20/79/85/569207985.db2.gz	WYZPCDUQQNAHHL-QLMUGPIMSA-N	0	0	439.606	5.696	50	30		IKEARN
CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252635951	569208099	/nfs/dbraw/zinc/20/80/99/569208099.db2.gz	XCYWWJXXNPXLAA-HOMYTQLHSA-N	0	0	446.956	5.467	50	30		IKEARN
Cc1cccc(C)c1NC(=O)C(N=Nc1cccc(C(F)(F)F)c1)C(=O)c1ccccc1	ZINC000252636148	569208105	/nfs/dbraw/zinc/20/81/05/569208105.db2.gz	XFEOMXUJUXWTTC-UHFFFAOYSA-N	0	0	439.437	5.612	50	30		IKEARN
O=[N+]([O-])c1ccc2c(ccc(O)c2C=Nc2cccc(-c3nc4ccccc4s3)c2)c1	ZINC000252639512	569208307	/nfs/dbraw/zinc/20/83/07/569208307.db2.gz	YLAYICMIVDQPCF-UHFFFAOYSA-N	0	0	425.469	6.481	50	30		IKEARN
COc1ccc(OC)c(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1	ZINC000252640615	569208640	/nfs/dbraw/zinc/20/86/40/569208640.db2.gz	YVSUAAIWHCGNFG-GCNWNYGFSA-N	0	0	444.556	6.129	50	30		IKEARN
CC(=NN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl	ZINC000252642529	569209485	/nfs/dbraw/zinc/20/94/85/569209485.db2.gz	ZMZKOUTWWJXFQD-UHFFFAOYSA-N	0	0	436.386	6.105	50	30		IKEARN
CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1	ZINC000252643158	569209491	/nfs/dbraw/zinc/20/94/91/569209491.db2.gz	ZSXWMYUORRBFDB-UHFFFAOYSA-N	0	0	443.348	6.409	50	30		IKEARN
C(=NN1CCN(c2ccccn2)CC1)C1=C(Sc2nc3ccccc3s2)CCCC1	ZINC000252678030	569210523	/nfs/dbraw/zinc/21/05/23/569210523.db2.gz	CNHFBRBHWKWDPA-UHFFFAOYSA-N	0	0	435.622	5.420	50	30		IKEARN
Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1	ZINC000252679494	569210666	/nfs/dbraw/zinc/21/06/66/569210666.db2.gz	NIUOLHPWJOKCPA-ZRDONGIOSA-N	0	0	446.506	6.252	50	30		IKEARN
O=C(Nc1cccc(Cl)c1)[C@@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1	ZINC000002232332	569210736	/nfs/dbraw/zinc/21/07/36/569210736.db2.gz	CFLWGKJVMIGWKM-UOODYVSWSA-N	0	0	435.936	5.505	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccccc1Cl	ZINC000003660029	569212152	/nfs/dbraw/zinc/21/21/52/569212152.db2.gz	KHRNUMWVUWLTGF-UHFFFAOYSA-N	0	0	429.719	5.890	50	30		IKEARN
Cc1ccc2nc(-c3cc(/N=C/c4c(O)cc(C)c(Cl)c4C)ccc3Cl)oc2c1	ZINC000003084991	569213118	/nfs/dbraw/zinc/21/31/18/569213118.db2.gz	VTCHEWBHEJYAAH-KBKYJPHKSA-N	0	0	425.315	7.183	50	30		IKEARN
Cc1ccc(C)c(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)c([N+](=O)[O-])c2)c1	ZINC000003079746	569213185	/nfs/dbraw/zinc/21/31/85/569213185.db2.gz	HLUHYHGXGIRLAA-BRJLIKDPSA-N	0	0	443.286	6.488	50	30		IKEARN
Cc1cccc2oc(-c3ccc(/N=C/c4cccc(I)c4)cc3)nc21	ZINC000003115296	569213278	/nfs/dbraw/zinc/21/32/78/569213278.db2.gz	HGWQVWUQVRYCAG-YDZHTSKRSA-N	0	0	438.268	6.158	50	30		IKEARN
Cc1cc(/C=N/c2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(O)c(C)c1Cl	ZINC000003113681	569213290	/nfs/dbraw/zinc/21/32/90/569213290.db2.gz	FNNDXTLINNBMAU-NSKAYECMSA-N	0	0	445.733	7.528	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)cc1	ZINC000027467981	569215167	/nfs/dbraw/zinc/21/51/67/569215167.db2.gz	LLQMXXAAJQVTJZ-UZWMFBFFSA-N	0	0	449.594	7.497	50	30		IKEARN
CCCCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCCC)cc2O)c(O)c1	ZINC000027467526	569215180	/nfs/dbraw/zinc/21/51/80/569215180.db2.gz	MOIWEMXEOCCSMZ-MKYUKRCKSA-N	0	0	440.584	6.469	50	30	biogenic	IKEARN
O=C(NC(Nc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl	ZINC000002260623	569215656	/nfs/dbraw/zinc/21/56/56/569215656.db2.gz	AZWJIZXTGQYDCH-UHFFFAOYSA-N	0	0	449.153	5.795	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC(C)(C)OC3	ZINC000002260898	569215723	/nfs/dbraw/zinc/21/57/23/569215723.db2.gz	CBMGLGXAELNEDX-UHFFFAOYSA-N	0	0	448.698	6.877	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc21	ZINC000002264647	569216027	/nfs/dbraw/zinc/21/60/27/569216027.db2.gz	NVEVZQSYCHHYFG-UHFFFAOYSA-N	0	0	435.959	5.510	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc21	ZINC000002264748	569216161	/nfs/dbraw/zinc/21/61/61/569216161.db2.gz	ASRMNYHYZJEDPI-STBIYBPSSA-N	0	0	442.567	5.058	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21	ZINC000002265601	569216163	/nfs/dbraw/zinc/21/61/63/569216163.db2.gz	VAORXMRSTSZONZ-UHFFFAOYSA-N	0	0	434.584	6.184	50	30		IKEARN
COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccc(C)cc1	ZINC000002267408	569216312	/nfs/dbraw/zinc/21/63/12/569216312.db2.gz	CPPNJCAOVMBKSV-ZOODIOSSSA-N	0	0	437.564	7.403	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002254768	569216829	/nfs/dbraw/zinc/21/68/29/569216829.db2.gz	ZDCIXMVQIMUCDE-UHFFFAOYSA-N	0	0	428.601	6.244	50	30		IKEARN
COc1ccccc1-c1cc(-c2ccccc2)nc(SCC(=O)c2ccccc2)c1C#N	ZINC000002274875	569217186	/nfs/dbraw/zinc/21/71/86/569217186.db2.gz	GDBKWMVCOYVKSY-UHFFFAOYSA-N	0	0	436.536	6.271	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000002276668	569217822	/nfs/dbraw/zinc/21/78/22/569217822.db2.gz	NRXWTULIFTWMEG-WCQPBMKCSA-N	0	0	431.561	5.483	50	30		IKEARN
Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)c1	ZINC000027520273	569218226	/nfs/dbraw/zinc/21/82/26/569218226.db2.gz	ZLHMFDCVVCUHNT-GNVQSUKOSA-N	0	0	439.540	6.038	50	30		IKEARN
CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000012362682	569256798	/nfs/dbraw/zinc/25/67/98/569256798.db2.gz	GGQIDQJAIYDGEX-MBOSRBAXSA-N	0	0	427.585	5.436	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@H]23)cc1	ZINC000025541260	569257424	/nfs/dbraw/zinc/25/74/24/569257424.db2.gz	VBLKGSKRRMCRKY-GVURRWLTSA-N	0	0	444.637	5.681	50	30		IKEARN
C[Si](C)(C)CCOCn1ccc2c1ncnc2-c1cnn([C@H](CC#N)C2CCCC2)c1	ZINC000197927812	569262891	/nfs/dbraw/zinc/26/28/91/569262891.db2.gz	QHQSWYIJDFMBNE-OAQYLSRUSA-N	0	0	436.636	5.252	50	30		IKEARN
CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2s1	ZINC000138166194	569262893	/nfs/dbraw/zinc/26/28/93/569262893.db2.gz	RBYDFXAPMDTYEB-LPTDTENNSA-N	0	0	440.634	6.060	50	30		IKEARN
CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)ccc1O	ZINC000027527954	569263478	/nfs/dbraw/zinc/26/34/78/569263478.db2.gz	AHQKVZCGGJHCHU-LNLSZRECSA-N	0	0	438.597	5.783	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002292123	569267998	/nfs/dbraw/zinc/26/79/98/569267998.db2.gz	ZLVCQRLMQDFLIR-UHFFFAOYSA-N	0	0	428.601	6.244	50	30	biogenic	IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002291658	569268009	/nfs/dbraw/zinc/26/80/09/569268009.db2.gz	VEILOHJORFMSSY-XMMPIXPASA-N	0	0	432.907	6.711	50	30		IKEARN
CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)cc1	ZINC000002293441	569268021	/nfs/dbraw/zinc/26/80/21/569268021.db2.gz	RDXBLRRUYBTFEI-PXLXIMEGSA-N	0	0	445.544	5.162	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@H]3C(=CCCC3(C)C)C[C@@H]1C)Nc1ccccc1-2	ZINC000245226590	569269396	/nfs/dbraw/zinc/26/93/96/569269396.db2.gz	FFPWFNSTHNZZLR-YLTWVVNKSA-N	0	0	448.636	6.356	50	30	biogenic	IKEARN
CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000245253981	569269703	/nfs/dbraw/zinc/26/97/03/569269703.db2.gz	WVXXEBLHRGPWQV-KUWSSDOMSA-N	0	0	446.635	6.498	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000027547198	569271320	/nfs/dbraw/zinc/27/13/20/569271320.db2.gz	VRJMMVCEVLBWOQ-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
Cc1ccsc1[C@@H]1C(C(=O)Nc2cccc(C(F)(F)F)c2)=C(C)NC2=C1C(=O)CCC2	ZINC000027547685	569271327	/nfs/dbraw/zinc/27/13/27/569271327.db2.gz	NRPBZKZATKYGSE-HXUWFJFHSA-N	0	0	446.494	5.682	50	30		IKEARN
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC)C2=O)cc1	ZINC000002307088	569271816	/nfs/dbraw/zinc/27/18/16/569271816.db2.gz	LBJNAPCRWZIAOS-QNGOZBTKSA-N	0	0	447.585	5.325	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O	ZINC000002307931	569271972	/nfs/dbraw/zinc/27/19/72/569271972.db2.gz	XUIROGDAGSHYTR-JYAWBRCSSA-N	0	0	439.581	5.037	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002317871	569272607	/nfs/dbraw/zinc/27/26/07/569272607.db2.gz	OHNRAPDMFWAIHH-UHFFFAOYSA-N	0	0	427.703	5.342	50	30		IKEARN
CCCCSc1nc(C)c(C(=O)Nc2ccccc2)c(-c2ccc(Cl)cc2)c1C#N	ZINC000002311191	569272851	/nfs/dbraw/zinc/27/28/51/569272851.db2.gz	QMSXPBZBFHMBGL-UHFFFAOYSA-N	0	0	435.980	6.727	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1	ZINC000253617488	569273559	/nfs/dbraw/zinc/27/35/59/569273559.db2.gz	PMBSWZWCNKVWLV-ZKUCRLQPSA-N	0	0	442.684	7.139	50	30		IKEARN
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl	ZINC000027572014	569273723	/nfs/dbraw/zinc/27/37/23/569273723.db2.gz	MBICDKHQHBALRV-UHFFFAOYSA-N	0	0	427.972	5.712	50	30		IKEARN
O=C(Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1	ZINC000002337808	569274912	/nfs/dbraw/zinc/27/49/12/569274912.db2.gz	KGCKHEAGJASTTJ-UHFFFAOYSA-N	0	0	438.266	5.501	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H]3O[C@@H]3[C@]21C	ZINC000257346888	569279913	/nfs/dbraw/zinc/27/99/13/569279913.db2.gz	CYPQELKXBYBDOE-VQGJRAMWSA-N	0	0	446.628	5.154	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]2O)cc1	ZINC000257348103	569280098	/nfs/dbraw/zinc/28/00/98/569280098.db2.gz	BKOGUJNRCSWUNA-QSWPNCQTSA-N	0	0	446.653	5.473	50	30		IKEARN
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@@]3(C)[C@H]1CC2	ZINC000257348116	569280201	/nfs/dbraw/zinc/28/02/01/569280201.db2.gz	BNXIOYCVQJVXLJ-AIQOFOBISA-N	0	0	434.617	6.332	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]21C	ZINC000257349271	569280408	/nfs/dbraw/zinc/28/04/08/569280408.db2.gz	MXIKNOBYVNLDDR-SDECMKDGSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@H]4[C@H]3CC[C@H]2C1	ZINC000257349962	569280482	/nfs/dbraw/zinc/28/04/82/569280482.db2.gz	SWTNFHMWIPZFLE-GUHVTRCWSA-N	0	0	448.647	6.860	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000257350153	569280585	/nfs/dbraw/zinc/28/05/85/569280585.db2.gz	VEEBKUQFPONGGR-MNGODGMHSA-N	0	0	444.700	7.171	50	30		IKEARN
C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)CC1=O	ZINC000257356410	569280833	/nfs/dbraw/zinc/28/08/33/569280833.db2.gz	HVPFVUHFUULZFU-UJDYKWCVSA-N	0	0	434.693	5.641	50	30		IKEARN
C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]2(C)[C@]1(OC(C)=O)C(C)=O	ZINC000257357608	569280861	/nfs/dbraw/zinc/28/08/61/569280861.db2.gz	PBCULPOTNCGYFY-IQMZCNMPSA-N	0	0	442.596	5.328	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257358569	569280927	/nfs/dbraw/zinc/28/09/27/569280927.db2.gz	VEEBKUQFPONGGR-FLTUUUFBSA-N	0	0	444.700	7.171	50	30		IKEARN
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](CN(C)c4ccccc4)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257358209	569280997	/nfs/dbraw/zinc/28/09/97/569280997.db2.gz	SDPXLBMMNBJQCT-YDWIZNKBSA-N	0	0	449.635	5.201	50	30		IKEARN
O=[N+]([O-])c1ccc(N2CCC(C(F)(F)F)CC2)c(/C=N/OCc2ccccc2Cl)c1	ZINC000263639782	569282466	/nfs/dbraw/zinc/28/24/66/569282466.db2.gz	INKIQJDMBKSQIL-BRJLIKDPSA-N	0	0	441.837	5.578	50	30		IKEARN
COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]32C)c1O	ZINC000253501626	569283557	/nfs/dbraw/zinc/28/35/57/569283557.db2.gz	PFLCXOYUUHWAGR-NHMXABCESA-N	0	0	439.640	5.984	50	30	biogenic	IKEARN
C=C(C)[C@H]1CC[C@@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12	ZINC000253531387	569283898	/nfs/dbraw/zinc/28/38/98/569283898.db2.gz	IIMYCYVBVMITJJ-RLMZKIFHSA-N	0	0	425.657	6.062	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000253532005	569284025	/nfs/dbraw/zinc/28/40/25/569284025.db2.gz	IKAYYSYGCHKPAB-IGVIKAMMSA-N	0	0	443.716	6.987	50	30		IKEARN
CC(=O)ON=C(C)[C@]12C[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000253532395	569284052	/nfs/dbraw/zinc/28/40/52/569284052.db2.gz	GGQIDQJAIYDGEX-JGDZRIMMSA-N	0	0	427.585	5.436	50	30		IKEARN
COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1	ZINC000000662100	569284864	/nfs/dbraw/zinc/28/48/64/569284864.db2.gz	YRQJZMSDFJVHIA-UHFFFAOYSA-N	0	0	443.450	5.378	50	30		IKEARN
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)c1	ZINC000000662176	569284922	/nfs/dbraw/zinc/28/49/22/569284922.db2.gz	MTCRJHFQANNJRZ-UHFFFAOYSA-N	0	0	444.343	5.666	50	30		IKEARN
CCN1c2ccc(C(=O)OCCC(F)(F)F)cc2N(CC)/C1=C/C=Nc1ccccc1	ZINC000334157051	569285742	/nfs/dbraw/zinc/28/57/42/569285742.db2.gz	QFKDXSSZHQWLSX-WMJFYXQMSA-N	0	0	431.458	5.706	50	30		IKEARN
C=C(C)CSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4	ZINC000002361056	569286846	/nfs/dbraw/zinc/28/68/46/569286846.db2.gz	XLUXNILKVIAAIB-FQEVSTJZSA-N	0	0	434.656	5.751	50	30		IKEARN
N#Cc1cc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c(N2CCCCCC2)cc1C#N	ZINC000008384438	569289652	/nfs/dbraw/zinc/28/96/52/569289652.db2.gz	PAUMCLNXQUHMEY-UHFFFAOYSA-N	0	0	445.526	6.213	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)N(c1ccccc1)c1ccccc1)CCCCCC2	ZINC000008414571	569289690	/nfs/dbraw/zinc/28/96/90/569289690.db2.gz	SUEZPXHGYMHXAZ-UHFFFAOYSA-N	0	0	427.573	6.069	50	30		IKEARN
CCOC(=O)CCCSc1nc(-c2ccccc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000008441146	569289776	/nfs/dbraw/zinc/28/97/76/569289776.db2.gz	RRXWTYAEQMAJGE-UHFFFAOYSA-N	0	0	432.545	5.731	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)nc(SCC(=O)OC(C)(C)C)c2C#N)cc1	ZINC000008448491	569289801	/nfs/dbraw/zinc/28/98/01/569289801.db2.gz	YKPUIXLTXHPZAS-UHFFFAOYSA-N	0	0	438.574	5.791	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3C)c2C#N)cc1	ZINC000008441105	569289807	/nfs/dbraw/zinc/28/98/07/569289807.db2.gz	COOYHJOIGRQXBC-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccccc3Cl)c2C#N)cc1	ZINC000008448660	569289810	/nfs/dbraw/zinc/28/98/10/569289810.db2.gz	MMEHGAMSVBGPCS-UHFFFAOYSA-N	0	0	449.000	7.303	50	30		IKEARN
CCCCSC[C@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N	ZINC000008442334	569289815	/nfs/dbraw/zinc/28/98/15/569289815.db2.gz	YGLCRZTWVACOAJ-QFIPXVFZSA-N	0	0	448.657	6.582	50	30		IKEARN
CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008443533	569289822	/nfs/dbraw/zinc/28/98/22/569289822.db2.gz	QIDCGABYEHXGCU-AZGAKELHSA-N	0	0	446.641	6.416	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1C	ZINC000008441079	569289827	/nfs/dbraw/zinc/28/98/27/569289827.db2.gz	ZXCFHKTXRKRCRC-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
Cc1cc(C)n(C(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)n1	ZINC000008456413	569289889	/nfs/dbraw/zinc/28/98/89/569289889.db2.gz	AHGNYHMMLLICSS-UHFFFAOYSA-N	0	0	442.519	5.672	50	30		IKEARN
COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c1	ZINC000008451021	569289891	/nfs/dbraw/zinc/28/98/91/569289891.db2.gz	ADQKWBBPUSXLGT-UHFFFAOYSA-N	0	0	432.545	6.789	50	30		IKEARN
COc1ccc(C=O)cc1CSc1nc(C(F)(F)F)cc(-c2ccccc2)c1C#N	ZINC000008456236	569289904	/nfs/dbraw/zinc/28/99/04/569289904.db2.gz	KPOVJOZPYQLCMA-UHFFFAOYSA-N	0	0	428.435	5.752	50	30		IKEARN
CCCSc1ccccc1NC(=O)CSc1nc(-c2cccc(OC)c2)ccc1C#N	ZINC000008451072	569289927	/nfs/dbraw/zinc/28/99/27/569289927.db2.gz	ORFRBBHFSIKAMI-UHFFFAOYSA-N	0	0	449.601	5.862	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1sc3nc(-c4cccs4)ccc3c1N)CCCC2	ZINC000008451280	569289940	/nfs/dbraw/zinc/28/99/40/569289940.db2.gz	JMNZLRJNUCCLSS-UHFFFAOYSA-N	0	0	436.587	5.671	50	30		IKEARN
CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(Cl)cc2)c1C#N	ZINC000008451239	569289972	/nfs/dbraw/zinc/28/99/72/569289972.db2.gz	XSOBHQJBUJOPPJ-UHFFFAOYSA-N	0	0	442.009	5.963	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3cccc(OC)c3)c2C#N)cc1	ZINC000008742262	569290191	/nfs/dbraw/zinc/29/01/91/569290191.db2.gz	ICSGVPNUUAUASG-UHFFFAOYSA-N	0	0	438.552	6.597	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)cc2)nc2c(c1-c1ccco1)CC/C2=C\c1ccco1	ZINC000008767082	569290324	/nfs/dbraw/zinc/29/03/24/569290324.db2.gz	DLWZBEVNZKGYDE-GHRIWEEISA-N	0	0	444.943	7.239	50	30		IKEARN
Cc1ccc(-c2nc(SCc3ccc(Cl)c(Cl)c3)c(C#N)c3c2CCCC3)cc1	ZINC000008781826	569290657	/nfs/dbraw/zinc/29/06/57/569290657.db2.gz	AFWUPRKHRPFYIV-UHFFFAOYSA-N	0	0	439.411	7.407	50	30		IKEARN
Cc1ccc([C@@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1	ZINC000008857098	569291407	/nfs/dbraw/zinc/29/14/07/569291407.db2.gz	OCXRYRIXDALDHC-VGHNRZQDSA-N	0	0	442.317	6.806	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1	ZINC000008857417	569291548	/nfs/dbraw/zinc/29/15/48/569291548.db2.gz	ZUVZCVGRAQQFML-XNTDXEJSSA-N	0	0	445.971	7.085	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888194	569291910	/nfs/dbraw/zinc/29/19/10/569291910.db2.gz	PVCQIYANENDXBU-BGEKPKEUSA-N	0	0	436.895	5.981	50	30		IKEARN
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	ZINC000008888346	569292020	/nfs/dbraw/zinc/29/20/20/569292020.db2.gz	IEBOWXSPUXZXHK-UHFFFAOYSA-N	0	0	443.334	5.984	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c1C#N	ZINC000009130397	569293946	/nfs/dbraw/zinc/29/39/46/569293946.db2.gz	FHPOTEJYQQSYNE-HOCLYGCPSA-N	0	0	449.458	5.193	50	30		IKEARN
C[C@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1	ZINC000009161334	569294065	/nfs/dbraw/zinc/29/40/65/569294065.db2.gz	WVUHYZSQFIYXGI-AWEZNQCLSA-N	0	0	442.462	6.264	50	30		IKEARN
COc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)c1	ZINC000009597835	569297419	/nfs/dbraw/zinc/29/74/19/569297419.db2.gz	FUETUFSSHFXHMC-OAHLLOKOSA-N	0	0	435.549	5.687	50	30		IKEARN
COc1ccccc1-c1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)no1	ZINC000009597845	569297425	/nfs/dbraw/zinc/29/74/25/569297425.db2.gz	UBSUMNIDYLNHGT-AWEZNQCLSA-N	0	0	435.549	5.687	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21	ZINC000002397544	569298601	/nfs/dbraw/zinc/29/86/01/569298601.db2.gz	PNWDSOUKILEGBI-UHFFFAOYSA-N	0	0	430.552	5.537	50	30		IKEARN
COC(=O)c1ccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)cc1	ZINC000002398385	569298639	/nfs/dbraw/zinc/29/86/39/569298639.db2.gz	VMYXYEPJBJGKLA-YVNNLAQVSA-N	0	0	438.838	5.461	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O)C1CCCCC1	ZINC000002400298	569299482	/nfs/dbraw/zinc/29/94/82/569299482.db2.gz	HJRFXIZPQPKQKE-NDENLUEZSA-N	0	0	427.294	5.551	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCc2ccccc2)c1=O	ZINC000002407410	569300344	/nfs/dbraw/zinc/30/03/44/569300344.db2.gz	GKIPIMAHLAFRFW-UHFFFAOYSA-N	0	0	439.563	5.508	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)sc2c1CCCC2	ZINC000002415881	569300814	/nfs/dbraw/zinc/30/08/14/569300814.db2.gz	CFSKKUUAOMDHJV-UHFFFAOYSA-N	0	0	426.497	5.524	50	30		IKEARN
Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1	ZINC000002413263	569301153	/nfs/dbraw/zinc/30/11/53/569301153.db2.gz	LLAAQIOQSCJUBY-NRFANRHFSA-N	0	0	436.515	5.267	50	30		IKEARN
CCCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21	ZINC000002416482	569301532	/nfs/dbraw/zinc/30/15/32/569301532.db2.gz	FUNKOUYYKOPHGF-UHFFFAOYSA-N	0	0	442.610	5.422	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccc(F)cc3)ccc2C1=O	ZINC000002424312	569302338	/nfs/dbraw/zinc/30/23/38/569302338.db2.gz	UUHIEPDWWKMOLD-MYKKPKGFSA-N	0	0	436.435	5.047	50	30		IKEARN
C[C@H](c1ccccc1)N1C(=O)NC(C(F)(F)F)(C(F)(F)F)C2=C1CC(C)(C)CC2=O	ZINC000002423687	569302380	/nfs/dbraw/zinc/30/23/80/569302380.db2.gz	RKESSTGBNYZSFV-LLVKDONJSA-N	0	0	434.380	5.279	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)cc1OC	ZINC000002424204	569302394	/nfs/dbraw/zinc/30/23/94/569302394.db2.gz	LXMGYQGRPKVZJN-KSEXSDGBSA-N	0	0	440.854	5.692	50	30		IKEARN
Cc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccccc2)cc1	ZINC000002428656	569302899	/nfs/dbraw/zinc/30/28/99/569302899.db2.gz	MYPMKLZNDNABPC-OAQYLSRUSA-N	0	0	436.515	5.267	50	30		IKEARN
COc1ccc(OC)c(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c1	ZINC000002429740	569302951	/nfs/dbraw/zinc/30/29/51/569302951.db2.gz	VLQVXLSZAIYTGH-KSEXSDGBSA-N	0	0	440.854	5.692	50	30		IKEARN
O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000011867658	569303089	/nfs/dbraw/zinc/30/30/89/569303089.db2.gz	RLMRDGMPZIOTPM-QDEBKDIKSA-N	0	0	425.799	5.503	50	30		IKEARN
O=C(/C=C/c1cccs1)c1cc(Cl)ccc1OC(=O)c1ccccc1Br	ZINC000011867660	569303109	/nfs/dbraw/zinc/30/31/09/569303109.db2.gz	ZNEXTHWTEFPJDX-CMDGGOBGSA-N	0	0	447.737	6.279	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000011868137	569303136	/nfs/dbraw/zinc/30/31/36/569303136.db2.gz	XSJPPSIEMSOJIA-KGENOOAVSA-N	0	0	449.506	6.928	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1	ZINC000002443727	569304132	/nfs/dbraw/zinc/30/41/32/569304132.db2.gz	OTVAGLKLTIJFNW-UHFFFAOYSA-N	0	0	437.355	6.405	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1	ZINC000002447386	569304525	/nfs/dbraw/zinc/30/45/25/569304525.db2.gz	QEQRJXQJVVELOU-APSNUPSMSA-N	0	0	442.846	5.268	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2CCC2=CCCCC2)c1=O	ZINC000002449011	569304683	/nfs/dbraw/zinc/30/46/83/569304683.db2.gz	RRZKAHDGSFROPK-UHFFFAOYSA-N	0	0	443.595	6.155	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2c(c1C(F)(F)F)CCC2	ZINC000012956980	569305283	/nfs/dbraw/zinc/30/52/83/569305283.db2.gz	YNZDFIHWWPTZJW-UHFFFAOYSA-N	0	0	445.388	5.210	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1	ZINC000070004375	569308292	/nfs/dbraw/zinc/30/82/92/569308292.db2.gz	SPRPKEWDKVWIRV-HSZRJFAPSA-N	0	0	447.332	5.201	50	30		IKEARN
N#Cc1ccccc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1	ZINC000013059263	569308353	/nfs/dbraw/zinc/30/83/53/569308353.db2.gz	KTKJHVKOSSOTFI-UHFFFAOYSA-N	0	0	443.597	6.404	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)c1oc2ccc(OC)cc2c1C	ZINC000013096923	569309316	/nfs/dbraw/zinc/30/93/16/569309316.db2.gz	NYFKMFMBDMHJEY-UHFFFAOYSA-N	0	0	430.254	5.002	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)/C=C/c3cc(Cl)c4c(c3)OCCCO4)cc2)cc1	ZINC000013095566	569309410	/nfs/dbraw/zinc/30/94/10/569309410.db2.gz	ZFZPSQCXTFVHIE-NYYWCZLTSA-N	0	0	431.875	5.659	50	30		IKEARN
Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013098867	569309688	/nfs/dbraw/zinc/30/96/88/569309688.db2.gz	YYZJFZVWTORWOV-UHFFFAOYSA-N	0	0	439.972	5.035	50	30		IKEARN
CCc1cc(SCC(=O)Nc2cccc(SC)c2)n2c3ccccc3nc2c1C#N	ZINC000013141687	569311488	/nfs/dbraw/zinc/31/14/88/569311488.db2.gz	CZJIROOOHIZTHZ-UHFFFAOYSA-N	0	0	432.574	5.374	50	30		IKEARN
Cc1ccc(-c2coc(-c3ccc(NS(=O)(=O)c4cccc(C#N)c4)cc3)n2)cc1C	ZINC000013360715	569314038	/nfs/dbraw/zinc/31/40/38/569314038.db2.gz	CDPAECUEMJKYNG-UHFFFAOYSA-N	0	0	429.501	5.298	50	30		IKEARN
CC(C)[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1	ZINC000328592472	569317205	/nfs/dbraw/zinc/31/72/05/569317205.db2.gz	SOXFWCHWFGPACR-PKTZIBPZSA-N	0	0	430.504	5.589	50	30		IKEARN
CC[C@@](O)(CNC(=O)c1c(C)cccc1Br)c1ccc(Br)cc1	ZINC000328596515	569318010	/nfs/dbraw/zinc/31/80/10/569318010.db2.gz	YWHMYGPYLTXMDN-GOSISDBHSA-N	0	0	441.163	5.122	50	30		IKEARN
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](CC(C)(C)C)c1ccc(Cl)cc1	ZINC000078870167	569319619	/nfs/dbraw/zinc/31/96/19/569319619.db2.gz	DZKXYCPUMLCATK-NRFANRHFSA-N	0	0	437.975	5.098	50	30		IKEARN
CC(C)c1cc(N2CCN(Cc3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000019682078	569326262	/nfs/dbraw/zinc/32/62/62/569326262.db2.gz	FJONRWHYWONIQI-UHFFFAOYSA-N	0	0	443.982	5.458	50	30		IKEARN
CCCc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N	ZINC000019808428	569329786	/nfs/dbraw/zinc/32/97/86/569329786.db2.gz	OGRRPFHHQYACIF-UHFFFAOYSA-N	0	0	443.982	5.287	50	30		IKEARN
COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1Cl	ZINC000019820339	569330052	/nfs/dbraw/zinc/33/00/52/569330052.db2.gz	UHZGTUGQZUTPCI-UHFFFAOYSA-N	0	0	438.984	6.440	50	30		IKEARN
C=CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCC4CCCCC4)sc3C)cc21	ZINC000019820219	569330101	/nfs/dbraw/zinc/33/01/01/569330101.db2.gz	AMUKXSZXMSNJET-UHFFFAOYSA-N	0	0	439.581	5.329	50	30		IKEARN
COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1OC	ZINC000019820343	569330104	/nfs/dbraw/zinc/33/01/04/569330104.db2.gz	BNKCXTUEYQMSHE-UHFFFAOYSA-N	0	0	434.565	5.795	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)c(Cl)c1	ZINC000019841247	569330196	/nfs/dbraw/zinc/33/01/96/569330196.db2.gz	QJZWYOQUPMMQNB-UHFFFAOYSA-N	0	0	437.902	5.461	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1	ZINC000019852354	569330407	/nfs/dbraw/zinc/33/04/07/569330407.db2.gz	CFGCPZUVSMONEC-AWEZNQCLSA-N	0	0	447.589	5.380	50	30		IKEARN
N#Cc1c(N)nc2sc(C(=O)C34CC5CC(CC(C5)C3)C4)c(N)c2c1-c1cccs1	ZINC000019852948	569330409	/nfs/dbraw/zinc/33/04/09/569330409.db2.gz	BIPVSKROUWQYHC-UHFFFAOYSA-N	0	0	434.590	5.460	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2C#N)cc1	ZINC000019947275	569332178	/nfs/dbraw/zinc/33/21/78/569332178.db2.gz	RXYPXBNFVMSZGK-UHFFFAOYSA-N	0	0	442.544	5.181	50	30		IKEARN
Oc1ccccc1/C=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1	ZINC000020033372	569332577	/nfs/dbraw/zinc/33/25/77/569332577.db2.gz	BRGJIRDEULZHNL-SKWFZLDSSA-N	0	0	444.578	7.020	50	30		IKEARN
Oc1ccccc1/C=N/c1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1	ZINC000020033377	569332595	/nfs/dbraw/zinc/33/25/95/569332595.db2.gz	BRGJIRDEULZHNL-VVLOWPPNSA-N	0	0	444.578	7.020	50	30		IKEARN
COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1O	ZINC000020034024	569332607	/nfs/dbraw/zinc/33/26/07/569332607.db2.gz	KJOAVGRKHOLIJL-JFLMPSFJSA-N	0	0	427.435	5.865	50	30		IKEARN
CCOc1ccc(/C=C2\CC/C(=C/c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC	ZINC000020115301	569334995	/nfs/dbraw/zinc/33/49/95/569334995.db2.gz	SBYXGUHVARNWRU-KBNZVFGVSA-N	0	0	436.548	6.111	50	30		IKEARN
Cc1ccc(CSc2nc3n(n2)[C@@H](c2ccc(F)cc2)C2C(=O)CCCC2=N3)c(C)c1	ZINC000020134131	569335551	/nfs/dbraw/zinc/33/55/51/569335551.db2.gz	DHMSTSBBSKJNKE-QFIPXVFZSA-N	0	0	434.540	5.348	50	30		IKEARN
COc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1	ZINC000020134148	569335572	/nfs/dbraw/zinc/33/55/72/569335572.db2.gz	LKEWDCYFOAAIBX-HSZRJFAPSA-N	0	0	446.576	5.218	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(F)c4)nn3[C@@H](c3cccc(Cl)c3)C12	ZINC000020135539	569335663	/nfs/dbraw/zinc/33/56/63/569335663.db2.gz	XRIFHMCNQUKSLS-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
Cc1c2sc3c(c2nc(N)c1C#N)[C@@H](c1ccc(OCc2ccccc2)cc1)CC(=O)N3	ZINC000020150258	569336207	/nfs/dbraw/zinc/33/62/07/569336207.db2.gz	IXHIHSJYVCEXNU-GOSISDBHSA-N	0	0	440.528	5.761	50	30		IKEARN
O=C1/C(=C/c2cccc(Br)c2)CS/C1=C\c1cccc(Br)c1	ZINC000020151941	569336470	/nfs/dbraw/zinc/33/64/70/569336470.db2.gz	SRRKCHWZJUBXCB-WEDCBCPPSA-N	0	0	436.168	5.952	50	30		IKEARN
C=CCSC1=N/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1c1ccc(F)c(Cl)c1	ZINC000020152154	569336648	/nfs/dbraw/zinc/33/66/48/569336648.db2.gz	LGYCUKMPRHGPTJ-WQRHYEAKSA-N	0	0	446.931	5.549	50	30		IKEARN
N#Cc1c(-c2ccccc2)ccnc1N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000020219051	569356824	/nfs/dbraw/zinc/35/68/24/569356824.db2.gz	TXEYIHRJHRAXQS-UHFFFAOYSA-N	0	0	443.860	5.014	50	30		IKEARN
C=CCN1C(=S)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)Nc2ccccc2C)=C1C	ZINC000096278254	569389101	/nfs/dbraw/zinc/38/91/01/569389101.db2.gz	CKFDOFQBRZLEMP-HXUWFJFHSA-N	0	0	445.510	5.344	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCCCC)n2Cc1ccc(C(F)(F)F)cc1	ZINC000096280158	569389524	/nfs/dbraw/zinc/38/95/24/569389524.db2.gz	KTBSASSDJWGUEP-UHFFFAOYSA-N	0	0	430.470	5.803	50	30		IKEARN
C=CCn1c(C)nnc1SCc1ccccc1C(=O)NCc1cccc(C(F)(F)F)c1	ZINC000096289592	569390681	/nfs/dbraw/zinc/39/06/81/569390681.db2.gz	AHAYCZFMGFWXAI-UHFFFAOYSA-N	0	0	446.498	5.014	50	30		IKEARN
C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1ccc(C)cc1	ZINC000096291023	569390972	/nfs/dbraw/zinc/39/09/72/569390972.db2.gz	HOWMDSPVNKBPEZ-UHFFFAOYSA-N	0	0	444.560	5.255	50	30		IKEARN
N#Cc1nc([C@H]2C[C@@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1	ZINC000096346567	569397167	/nfs/dbraw/zinc/39/71/67/569397167.db2.gz	MVJQJXABALXQCO-MOPGFXCFSA-N	0	0	426.545	5.811	50	30		IKEARN
CCCCOc1ccc(NSC(=S)Nc2cc(C)nc(SCCCC)n2)cc1	ZINC000096562575	569401166	/nfs/dbraw/zinc/40/11/66/569401166.db2.gz	QBXBQVQGCMGVSS-UHFFFAOYSA-N	0	0	436.672	6.534	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1cccs1	ZINC000096580174	569401536	/nfs/dbraw/zinc/40/15/36/569401536.db2.gz	XQRHHEAEMRWLDQ-DNVJHFABSA-N	0	0	441.943	5.686	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000002493471	569405567	/nfs/dbraw/zinc/40/55/67/569405567.db2.gz	FMPDRPSBKCXPIH-OAHLLOKOSA-N	0	0	443.569	5.119	50	30		IKEARN
CCCSc1nnc(N2C(=O)C[C@@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000002504246	569406238	/nfs/dbraw/zinc/40/62/38/569406238.db2.gz	NLIFCNUNWPYLPG-HNNXBMFYSA-N	0	0	427.595	5.204	50	30		IKEARN
O=C(Nc1ccccc1C(F)(F)F)Nc1c(=O)oc2ccccc2c1NC1CCCC1	ZINC000028048879	569406590	/nfs/dbraw/zinc/40/65/90/569406590.db2.gz	PDTOPJUDDDVYQR-UHFFFAOYSA-N	0	0	431.414	5.824	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052168	569406785	/nfs/dbraw/zinc/40/67/85/569406785.db2.gz	AHLJQHUISPHXIK-SBUREZEXSA-N	0	0	434.923	5.993	50	30		IKEARN
Cc1noc2c1[C@@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000028051618	569406837	/nfs/dbraw/zinc/40/68/37/569406837.db2.gz	ACQYNELHLXNPJA-HRAATJIYSA-N	0	0	435.321	5.704	50	30		IKEARN
COC(=O)c1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052308	569406857	/nfs/dbraw/zinc/40/68/57/569406857.db2.gz	DMOJYYSNYXAHLQ-JTSKRJEESA-N	0	0	448.906	5.381	50	30		IKEARN
COC(=O)c1ccc(N2Cc3ccccc3C2=NC(=O)c2c(Cl)cccc2Cl)cc1	ZINC000254599970	569407718	/nfs/dbraw/zinc/40/77/18/569407718.db2.gz	AEVFNYLEFIKKQP-UHFFFAOYSA-N	0	0	439.298	5.387	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(F)cc3)c2c1	ZINC000028182407	569408643	/nfs/dbraw/zinc/40/86/43/569408643.db2.gz	UMHGZQYWTQOCAL-UHFFFAOYSA-N	0	0	431.463	6.455	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21	ZINC000028182545	569408732	/nfs/dbraw/zinc/40/87/32/569408732.db2.gz	FOPXAJBARZWKLR-GATIEOLUSA-N	0	0	447.893	6.649	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21	ZINC000028182586	569408780	/nfs/dbraw/zinc/40/87/80/569408780.db2.gz	VLDBJTIDQPKCOH-QFEZKATASA-N	0	0	427.475	6.304	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1F	ZINC000002624554	569411502	/nfs/dbraw/zinc/41/15/02/569411502.db2.gz	MKLOZWYSUVEOOB-UHFFFAOYSA-N	0	0	444.535	5.668	50	30		IKEARN
N#Cc1ccc(-c2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2)cc1	ZINC000002624383	569411546	/nfs/dbraw/zinc/41/15/46/569411546.db2.gz	AMDPQJLHLTYOAX-UHFFFAOYSA-N	0	0	432.277	5.617	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C	ZINC000002626039	569411717	/nfs/dbraw/zinc/41/17/17/569411717.db2.gz	ACWBFFLIWKLSTI-UHFFFAOYSA-N	0	0	447.539	5.048	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C	ZINC000002626898	569411736	/nfs/dbraw/zinc/41/17/36/569411736.db2.gz	YHYYMHRKBFOQGQ-UHFFFAOYSA-N	0	0	446.551	5.653	50	30		IKEARN
C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc32)c1C	ZINC000002628462	569412001	/nfs/dbraw/zinc/41/20/01/569412001.db2.gz	IVDOZSODORMCML-UHFFFAOYSA-N	0	0	438.527	5.854	50	30		IKEARN
C=CCn1c(=O)c2c(C3CC3)csc2nc1SCc1csc(-c2ccccc2)n1	ZINC000002634041	569412787	/nfs/dbraw/zinc/41/27/87/569412787.db2.gz	OXPQXTSASQDPJA-UHFFFAOYSA-N	0	0	437.615	5.937	50	30		IKEARN
O=C1c2ccccc2C2=Nc3nc(C(F)(F)F)nn3[C@H](c3ccc(Cl)cc3Cl)C12	ZINC000002635422	569412898	/nfs/dbraw/zinc/41/28/98/569412898.db2.gz	RZYOLVDVNATONR-OAHLLOKOSA-N	0	0	437.208	5.226	50	30		IKEARN
O=C1c2ccccc2C2=Nc3nc(C(F)(F)F)nn3[C@@H](c3ccc(Cl)cc3Cl)C12	ZINC000002635423	569412931	/nfs/dbraw/zinc/41/29/31/569412931.db2.gz	RZYOLVDVNATONR-HNNXBMFYSA-N	0	0	437.208	5.226	50	30		IKEARN
Cc1cc(C#N)c(SCC(=O)Nc2ccc(C(F)(F)F)cn2)nc1-c1ccccc1	ZINC000215705960	569413245	/nfs/dbraw/zinc/41/32/45/569413245.db2.gz	CRDXIJBMJQVOCZ-UHFFFAOYSA-N	0	0	428.439	5.073	50	30		IKEARN
CCc1cc2c(ncnc2SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)s1	ZINC000002639369	569413345	/nfs/dbraw/zinc/41/33/45/569413345.db2.gz	GLQPXVPRCCSIAR-LLVKDONJSA-N	0	0	428.608	5.042	50	30		IKEARN
O=C(CSc1ccc(/N=C/c2cccnc2Cl)cc1)Nc1ccc2ccccc2c1	ZINC000215724134	569414146	/nfs/dbraw/zinc/41/41/46/569414146.db2.gz	IZWOPSPHGBZDPA-JFLMPSFJSA-N	0	0	431.948	6.370	50	30		IKEARN
Cc1cc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1-c1ccccc1	ZINC000215734916	569414629	/nfs/dbraw/zinc/41/46/29/569414629.db2.gz	OLHKCWXPDVXMJI-UHFFFAOYSA-N	0	0	443.450	5.558	50	30		IKEARN
N#Cc1c(N[C@@H](NC(=O)c2ccc(F)cc2)C(Cl)(Cl)Cl)sc2c1CCCC2	ZINC000002678388	569416636	/nfs/dbraw/zinc/41/66/36/569416636.db2.gz	MDOCUJBIZRLWOL-QGZVFWFLSA-N	0	0	446.762	5.176	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C#N	ZINC000002739036	569419190	/nfs/dbraw/zinc/41/91/90/569419190.db2.gz	KKHVZTVTTAMNAN-UHFFFAOYSA-N	0	0	445.426	5.064	50	30		IKEARN
CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1	ZINC000002739310	569419192	/nfs/dbraw/zinc/41/91/92/569419192.db2.gz	CLPDLIRHZNCABD-RTWAWAEBSA-N	0	0	434.992	6.881	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1	ZINC000002740257	569419204	/nfs/dbraw/zinc/41/92/04/569419204.db2.gz	PRFSQXPENOLKOG-LBPRGKRZSA-N	0	0	429.010	6.891	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2C)c(C#N)c1C	ZINC000002746595	569419920	/nfs/dbraw/zinc/41/99/20/569419920.db2.gz	BRNBNKFRTAOWHU-UHFFFAOYSA-N	0	0	447.988	5.170	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2C1	ZINC000002750878	569420166	/nfs/dbraw/zinc/42/01/66/569420166.db2.gz	AEFNJFRNTLIMGK-LXKVQUBZSA-N	0	0	433.404	6.729	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3c(C)onc3-c3ccccc3)sc2C1	ZINC000002757210	569420283	/nfs/dbraw/zinc/42/02/83/569420283.db2.gz	WGRKUFMHQURTPG-KRWDZBQOSA-N	0	0	433.577	6.377	50	30		IKEARN
Clc1ccccc1-c1nc2cc(/N=C/C=C/c3ccc(Br)cc3)ccc2o1	ZINC000002756900	569420375	/nfs/dbraw/zinc/42/03/75/569420375.db2.gz	OHPYJYQMIULWFR-DFJXIDDLSA-N	0	0	437.724	7.326	50	30		IKEARN
Cc1c(C#N)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc1C(=O)N(C)C	ZINC000002761686	569420490	/nfs/dbraw/zinc/42/04/90/569420490.db2.gz	VSSCAJXDBVEWFM-FQEVSTJZSA-N	0	0	435.574	5.102	50	30		IKEARN
Cc1ccc(C)c(-c2csc(NC(=O)/C=C/c3ccc(Br)cc3)c2C#N)c1	ZINC000002773632	569420808	/nfs/dbraw/zinc/42/08/08/569420808.db2.gz	JBUKEJILUJRXRX-JXMROGBWSA-N	0	0	437.362	6.318	50	30		IKEARN
CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000002790144	569421381	/nfs/dbraw/zinc/42/13/81/569421381.db2.gz	GRPWGWOYMSKWNZ-QPSGOUHRSA-N	0	0	433.267	5.299	50	30		IKEARN
CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC	ZINC000002792446	569421502	/nfs/dbraw/zinc/42/15/02/569421502.db2.gz	UBCZTMJKKKKYAV-KRWDZBQOSA-N	0	0	440.609	5.749	50	30		IKEARN
COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F	ZINC000002792430	569421565	/nfs/dbraw/zinc/42/15/65/569421565.db2.gz	YDOQOOZSHDYPDV-CYBMUJFWSA-N	0	0	434.508	5.633	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OC(F)F	ZINC000002792484	569421585	/nfs/dbraw/zinc/42/15/85/569421585.db2.gz	BDKOMLFURYDYAF-CQSZACIVSA-N	0	0	448.535	6.023	50	30		IKEARN
CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C)C3)c1	ZINC000002801646	569422285	/nfs/dbraw/zinc/42/22/85/569422285.db2.gz	HELZYYZRTNHBFB-SNVBAGLBSA-N	0	0	436.027	5.247	50	30		IKEARN
CCCO[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(C(=O)c1ccccc1)C(F)(F)F	ZINC000670420944	569422979	/nfs/dbraw/zinc/42/29/79/569422979.db2.gz	DBUAPPJYRIGNCY-NWDGAFQWSA-N	0	0	430.238	5.362	50	30		IKEARN
COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)c1	ZINC000002865516	569423609	/nfs/dbraw/zinc/42/36/09/569423609.db2.gz	XKSLESOXXWKMRE-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N	ZINC000002871686	569423723	/nfs/dbraw/zinc/42/37/23/569423723.db2.gz	NSMQBOKQDWPGQI-ZDUSSCGKSA-N	0	0	437.462	5.271	50	30		IKEARN
Cc1sc(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc32)c(C#N)c1C	ZINC000002868171	569423745	/nfs/dbraw/zinc/42/37/45/569423745.db2.gz	BVHGQGCCLJDNAU-UHFFFAOYSA-N	0	0	441.556	6.491	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cnn3c2nc(-c2ccco2)cc3C(F)(F)F)c1C#N	ZINC000002875637	569423811	/nfs/dbraw/zinc/42/38/11/569423811.db2.gz	CBUXUPICCUPHSE-UHFFFAOYSA-N	0	0	445.426	5.064	50	30		IKEARN
C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1	ZINC000002911304	569424936	/nfs/dbraw/zinc/42/49/36/569424936.db2.gz	FWHJWOGMXAQAPN-UHFFFAOYSA-N	0	0	431.315	5.094	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/N=C(c3cccc(Cl)c3Cl)OC2=O)cc1	ZINC000002942022	569426783	/nfs/dbraw/zinc/42/67/83/569426783.db2.gz	MCUIUKATYMKOCQ-LTGZKZEYSA-N	0	0	446.374	7.077	50	30		IKEARN
CC(C)c1ccc([C@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	ZINC000057270722	569430273	/nfs/dbraw/zinc/43/02/73/569430273.db2.gz	HNBJZBPADCUIAX-QHCPKHFHSA-N	0	0	435.618	5.611	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)SC1=S	ZINC000002980599	569434120	/nfs/dbraw/zinc/43/41/20/569434120.db2.gz	PGWTUMPYMHBWLY-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(C)c1C	ZINC000002995160	569435059	/nfs/dbraw/zinc/43/50/59/569435059.db2.gz	QCDVQMAPZBDBHX-UVHMKAGCSA-N	0	0	430.577	5.243	50	30		IKEARN
Cc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)c(C)c1	ZINC000003026851	569436249	/nfs/dbraw/zinc/43/62/49/569436249.db2.gz	HNAXKLMPXXODFX-UHFFFAOYSA-N	0	0	436.587	5.200	50	30		IKEARN
Cc1ccccc1-n1c2nc(SCC#N)n(-c3ccccc3F)c(=O)c2sc1=S	ZINC000003026522	569436296	/nfs/dbraw/zinc/43/62/96/569436296.db2.gz	MNZBBRUNDXYTPB-UHFFFAOYSA-N	0	0	440.550	5.031	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)sc2c1CCCC2	ZINC000003066954	569439555	/nfs/dbraw/zinc/43/95/55/569439555.db2.gz	FWWXKTOQVIBTNM-UHFFFAOYSA-N	0	0	427.323	5.773	50	30		IKEARN
O=C(C[C@H](N=Cc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000003082505	569439942	/nfs/dbraw/zinc/43/99/42/569439942.db2.gz	JAVCPZROVXFRMI-CPHRPENTSA-N	0	0	434.106	5.679	50	30		IKEARN
O=C(C[C@@H](N=Cc1ccccc1Cl)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1	ZINC000003082507	569439947	/nfs/dbraw/zinc/43/99/47/569439947.db2.gz	JAVCPZROVXFRMI-YJCKXXIQSA-N	0	0	434.106	5.679	50	30		IKEARN
Cc1cccc(C(=O)Oc2ccc(/C=N/c3ccc(Br)cc3)cc2[N+](=O)[O-])c1	ZINC000003089528	569439976	/nfs/dbraw/zinc/43/99/76/569439976.db2.gz	ZJMGXLJNSDMHLY-YDZHTSKRSA-N	0	0	439.265	5.636	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c(Cl)c1	ZINC000003102956	569440192	/nfs/dbraw/zinc/44/01/92/569440192.db2.gz	IWYWAJTYHPKRQH-BHGWPJFGSA-N	0	0	446.131	7.315	50	30		IKEARN
CCOC(=O)c1cc(C#N)c(SCc2cccc(C(F)(F)F)c2)nc1-c1ccccc1	ZINC000003104576	569440275	/nfs/dbraw/zinc/44/02/75/569440275.db2.gz	ODSSKYTXFXHUKH-UHFFFAOYSA-N	0	0	442.462	6.108	50	30		IKEARN
CCOC(=O)c1cc(C#N)c(SCc2ccc(Cl)cc2Cl)nc1-c1ccccc1	ZINC000003104581	569440277	/nfs/dbraw/zinc/44/02/77/569440277.db2.gz	AZSKCYGQXVDNIA-UHFFFAOYSA-N	0	0	443.355	6.396	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1Cl	ZINC000003113725	569440367	/nfs/dbraw/zinc/44/03/67/569440367.db2.gz	KGOZCZHHFUHTFM-OPEKNORGSA-N	0	0	431.706	7.214	50	30		IKEARN
COc1ccc(/N=C/c2c(O)c(OC)cc(Br)c2Br)cc1Cl	ZINC000003113616	569440383	/nfs/dbraw/zinc/44/03/83/569440383.db2.gz	UPDOHHFVZSRQTR-FBCYGCLPSA-N	0	0	449.526	5.338	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)cc1)c1ccc(F)cc1	ZINC000003143871	569440855	/nfs/dbraw/zinc/44/08/55/569440855.db2.gz	OALXEKMRBZNENG-STBIYBPSSA-N	0	0	436.442	6.604	50	30		IKEARN
NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)C(=O)CN1c1cccc(C(F)(F)F)c1	ZINC000003171590	569441234	/nfs/dbraw/zinc/44/12/34/569441234.db2.gz	NRXBHFZOVBRXCM-UHFFFAOYSA-N	0	0	435.858	5.199	50	30		IKEARN
COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1	ZINC000003202427	569441616	/nfs/dbraw/zinc/44/16/16/569441616.db2.gz	QPMFWOVRCQXTJL-ZMOGYAJESA-N	0	0	435.277	5.795	50	30		IKEARN
C=CCn1c(S[C@H](C#N)Cc2ccccc2)nc2scc(-c3ccccc3)c2c1=O	ZINC000003220467	569441956	/nfs/dbraw/zinc/44/19/56/569441956.db2.gz	NIVQKFDCMPSBJF-IBGZPJMESA-N	0	0	429.570	5.538	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2[C@@H](C)CC)nc2sc(C)c(C)c2c1=O	ZINC000003249956	569442847	/nfs/dbraw/zinc/44/28/47/569442847.db2.gz	IOUJUOAZZHJWNF-AWEZNQCLSA-N	0	0	441.622	5.505	50	30		IKEARN
N#CCCN(C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccccc1	ZINC000003260052	569443190	/nfs/dbraw/zinc/44/31/90/569443190.db2.gz	QZYNACZQQJFXQS-UHFFFAOYSA-N	0	0	447.541	5.128	50	30		IKEARN
C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003282272	569443922	/nfs/dbraw/zinc/44/39/22/569443922.db2.gz	XZAXXHAISRZBFW-UHFFFAOYSA-N	0	0	435.593	5.932	50	30		IKEARN
N#Cc1cccc(NC(=O)c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)c1	ZINC000003299635	569444937	/nfs/dbraw/zinc/44/49/37/569444937.db2.gz	ABOLMQZNXOXHHE-UHFFFAOYSA-N	0	0	432.486	5.480	50	30		IKEARN
N#Cc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1	ZINC000003306500	569445247	/nfs/dbraw/zinc/44/52/47/569445247.db2.gz	VKRXMNUAKMDOCH-UHFFFAOYSA-N	0	0	430.341	6.456	50	30		IKEARN
Cc1sc(NC(=O)c2ccccc2Sc2ccc(Br)cn2)c(C#N)c1C	ZINC000058032892	569445633	/nfs/dbraw/zinc/44/56/33/569445633.db2.gz	GANJLAQVKDRTCC-UHFFFAOYSA-N	0	0	444.379	5.798	50	30		IKEARN
CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(C#N)c1	ZINC000003318301	569445808	/nfs/dbraw/zinc/44/58/08/569445808.db2.gz	KFTZKRRKCJLBEU-UHFFFAOYSA-N	0	0	439.924	5.167	50	30		IKEARN
N#Cc1c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2	ZINC000003345093	569447066	/nfs/dbraw/zinc/44/70/66/569447066.db2.gz	PDVHNZTWZRXLMB-UHFFFAOYSA-N	0	0	430.938	5.162	50	30		IKEARN
CC(C)(C)c1ccc(-c2nnc(SCCOc3ccc(C#N)cc3)n2C2CCCC2)cc1	ZINC000003370726	569448433	/nfs/dbraw/zinc/44/84/33/569448433.db2.gz	PGUFAGIKWZRIDC-UHFFFAOYSA-N	0	0	446.620	6.400	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc21	ZINC000003378964	569448717	/nfs/dbraw/zinc/44/87/17/569448717.db2.gz	QLBOTIHDASZKSR-UHFFFAOYSA-N	0	0	447.903	5.284	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1Sc1ccc(Cl)cc1[N+](=O)[O-])CCCC3	ZINC000003416962	569450282	/nfs/dbraw/zinc/45/02/82/569450282.db2.gz	QZEMOVAVHUFLJR-UHFFFAOYSA-N	0	0	433.942	5.236	50	30		IKEARN
N#CCSc1ccccc1NC(=O)COc1ccc(-c2nc3ccccc3s2)cc1	ZINC000003533902	569453484	/nfs/dbraw/zinc/45/34/84/569453484.db2.gz	SUUMXHOOCHEJGY-UHFFFAOYSA-N	0	0	431.542	5.596	50	30		IKEARN
CCCCCCCc1ccc(-c2noc(-c3c(C)onc3-c3ccccc3Cl)n2)cc1	ZINC000003584693	569454451	/nfs/dbraw/zinc/45/44/51/569454451.db2.gz	SMIGWRDFGLUSGL-UHFFFAOYSA-N	0	0	435.955	7.533	50	30		IKEARN
CC(C)(C)c1cc(Sc2c(Cl)c(Cl)nc(C#N)c2Cl)cc(C(C)(C)C)c1O	ZINC000003771002	569456445	/nfs/dbraw/zinc/45/64/45/569456445.db2.gz	RSEHBHCBBAOBOB-UHFFFAOYSA-N	0	0	443.827	7.365	50	30		IKEARN
CCCCCN(CCCCC)c1ccc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004016168	569458171	/nfs/dbraw/zinc/45/81/71/569458171.db2.gz	LSIDPRICDYDZJC-HKOYGPOVSA-N	0	0	441.532	6.136	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@H]1c1cccnc1	ZINC000004074963	569458666	/nfs/dbraw/zinc/45/86/66/569458666.db2.gz	NSTOXWAGNZTKNY-AFMDSPMNSA-N	0	0	427.479	5.141	50	30		IKEARN
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1[C@@H]1CCCc2c3cc(F)ccc3[nH]c21	ZINC000218606102	569458749	/nfs/dbraw/zinc/45/87/49/569458749.db2.gz	NRYXEJASFVQXCP-HXUWFJFHSA-N	0	0	444.535	5.020	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O	ZINC000004089324	569458796	/nfs/dbraw/zinc/45/87/96/569458796.db2.gz	PTORMSCEGKEQOG-SLJQUXCSSA-N	0	0	443.597	5.903	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(C2CCCCC2)C1=O	ZINC000004108360	569459133	/nfs/dbraw/zinc/45/91/33/569459133.db2.gz	VQFJVUYSBOEGII-QDJRPKQISA-N	0	0	435.618	5.862	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(c2ccc(O)cc2)C1=O	ZINC000004109157	569459149	/nfs/dbraw/zinc/45/91/49/569459149.db2.gz	YCTLPJOYWKAKGX-QDJRPKQISA-N	0	0	445.569	5.439	50	30		IKEARN
CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1	ZINC000004136667	569460290	/nfs/dbraw/zinc/46/02/90/569460290.db2.gz	NNQNRYRVBVWMBP-BYEYKRMRSA-N	0	0	427.577	5.272	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)o1	ZINC000004150329	569460498	/nfs/dbraw/zinc/46/04/98/569460498.db2.gz	KNCPPOGHVALJQT-GOSISDBHSA-N	0	0	427.570	5.010	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/NC(=S)Nc1ccccc1	ZINC000004179947	569460702	/nfs/dbraw/zinc/46/07/02/569460702.db2.gz	YVOJZXNZYHUZQJ-YDZHTSKRSA-N	0	0	427.574	5.034	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(C)cc2)c1	ZINC000004212718	569461021	/nfs/dbraw/zinc/46/10/21/569461021.db2.gz	CDSXDISTSAHLGR-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
C=C1CC[C@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[NH+]1CCC(C)CC1	ZINC000004311474	569461967	/nfs/dbraw/zinc/46/19/67/569461967.db2.gz	ZGHHYFNDDMTZKI-LPWJOBEDSA-N	0	0	441.656	6.396	50	30		IKEARN
CCOc1ccc(NC(=NC(=O)c2ccccc2C)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437628	569462131	/nfs/dbraw/zinc/46/21/31/569462131.db2.gz	VPKDATREAJAAQO-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
COc1ccccc1NC(=NC(=O)c1ccc(C)c(F)c1)NCCc1c[nH]c2ccccc12	ZINC000066437713	569462160	/nfs/dbraw/zinc/46/21/60/569462160.db2.gz	JNZRIAJXMYQVGY-UHFFFAOYSA-N	0	0	444.510	5.065	50	30		IKEARN
CCOc1ccc(NC(=NC(=O)c2ccc(C)cc2)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437649	569462175	/nfs/dbraw/zinc/46/21/75/569462175.db2.gz	CWYCPWTYJIDKGG-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(F)cc2)cc1	ZINC000066437683	569462210	/nfs/dbraw/zinc/46/22/10/569462210.db2.gz	YUEGGYKFJSDUPG-UHFFFAOYSA-N	0	0	444.510	5.146	50	30		IKEARN
O=C(/C=C\c1ccc(OS(=O)(=O)c2ccc(Br)cc2)cc1)c1ccccc1	ZINC000008383739	569462694	/nfs/dbraw/zinc/46/26/94/569462694.db2.gz	KISDMIYGCXSOEN-NVNXTCNLSA-N	0	0	443.318	5.113	50	30		IKEARN
CCC[C@@H](C#N)C(NC(=O)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1	ZINC000008431185	569464246	/nfs/dbraw/zinc/46/42/46/569464246.db2.gz	COUWWYKITBTFJN-QFIPXVFZSA-N	0	0	447.376	6.063	50	30		IKEARN
CC(=O)c1c(C)[nH]c(C(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1C	ZINC000008708144	569470681	/nfs/dbraw/zinc/47/06/81/569470681.db2.gz	HIGJPRACMMWXIZ-UHFFFAOYSA-N	0	0	433.533	5.215	50	30		IKEARN
C[C@@H](Nc1ccc(Oc2ccc(Br)cc2)cc1)C(=O)Nc1ccccc1C#N	ZINC000008710564	569470912	/nfs/dbraw/zinc/47/09/12/569470912.db2.gz	WWYDROZIJODPRT-OAHLLOKOSA-N	0	0	436.309	5.552	50	30		IKEARN
O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)CCCC3	ZINC000008711339	569471011	/nfs/dbraw/zinc/47/10/11/569471011.db2.gz	FPDDNVARDUICGI-KIBLKLHPSA-N	0	0	444.343	5.786	50	30		IKEARN
COc1ccc(C=NNc2nc3ccccc3s2)cc1Oc1nc(Cl)ncc1F	ZINC000008722658	569471836	/nfs/dbraw/zinc/47/18/36/569471836.db2.gz	AABHRPMQKJQQEB-NUGSKGIGSA-N	0	0	429.864	5.126	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@@H]3c2ccccc2)cc1	ZINC000008733569	569472509	/nfs/dbraw/zinc/47/25/09/569472509.db2.gz	DBZUMVUNZTXCPW-HPFVHPJRSA-N	0	0	436.482	7.038	50	30		IKEARN
C=CCSc1ncc(/C=N/OCc2ccc(Cl)cc2Cl)n1Cc1ccccc1	ZINC000008733710	569472555	/nfs/dbraw/zinc/47/25/55/569472555.db2.gz	PYYDIBNVJCTOPL-DHRITJCHSA-N	0	0	432.376	6.067	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000008741058	569472935	/nfs/dbraw/zinc/47/29/35/569472935.db2.gz	WJEPMNBLTRWJAB-NRFANRHFSA-N	0	0	444.512	5.543	50	30		IKEARN
C=CCNc1nc(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1C#N	ZINC000008762242	569474270	/nfs/dbraw/zinc/47/42/70/569474270.db2.gz	VAWCFYAVYSGKIH-UHFFFAOYSA-N	0	0	427.360	6.212	50	30		IKEARN
COc1cccc(-c2c(C#N)c(SCc3cccs3)nc3c2C[C@H](C(C)(C)C)CC3)c1	ZINC000008781201	569475632	/nfs/dbraw/zinc/47/56/32/569475632.db2.gz	ZTOMHXIHDYCCPG-GOSISDBHSA-N	0	0	448.657	7.134	50	30		IKEARN
CC(=O)[C@@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000008781450	569475638	/nfs/dbraw/zinc/47/56/38/569475638.db2.gz	TXCHEWSILUXDLK-VKKHMPROSA-N	0	0	448.133	5.647	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c(C)c1	ZINC000008781002	569475667	/nfs/dbraw/zinc/47/56/67/569475667.db2.gz	IWXOANAZMTURTK-CIAFOILYSA-N	0	0	433.489	5.672	50	30		IKEARN
Cc1ccccc1-c1nc(SCc2ccc(Cl)cc2Cl)c(C#N)c2c1CCC2	ZINC000008781831	569475714	/nfs/dbraw/zinc/47/57/14/569475714.db2.gz	BMTBKIQTHNZKRB-UHFFFAOYSA-N	0	0	425.384	7.017	50	30		IKEARN
Clc1ccc(-c2nc3sccn3c2/C=N/OCc2ccc(Cl)cc2Cl)cc1	ZINC000008781898	569475715	/nfs/dbraw/zinc/47/57/15/569475715.db2.gz	IYJUREOCRKGNQL-AUEPDCJTSA-N	0	0	436.751	6.574	50	30		IKEARN
Fc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1	ZINC000008782143	569475773	/nfs/dbraw/zinc/47/57/73/569475773.db2.gz	RHRDSKFSTDBEMA-LGJNPRDNSA-N	0	0	439.943	6.285	50	30		IKEARN
N#Cc1c2c(c(-c3ccccc3)nc1Sc1ncc(C(F)(F)F)cc1Cl)CCC2	ZINC000008782275	569475832	/nfs/dbraw/zinc/47/58/32/569475832.db2.gz	XEZSEJXFXCJRHC-UHFFFAOYSA-N	0	0	431.870	6.327	50	30		IKEARN
C=CCNC(=S)N=NCc1ccc(OCc2c(Cl)cccc2Cl)c(OCC)c1	ZINC000008798169	569476404	/nfs/dbraw/zinc/47/64/04/569476404.db2.gz	BDKXCPUGBGLTEF-WYMPLXKRSA-N	0	0	438.380	5.366	50	30		IKEARN
N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCCC2	ZINC000008809609	569476509	/nfs/dbraw/zinc/47/65/09/569476509.db2.gz	XDJIPEQCEZPUCS-UHFFFAOYSA-N	0	0	448.975	5.988	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(F)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1F	ZINC000008809664	569476510	/nfs/dbraw/zinc/47/65/10/569476510.db2.gz	XWOXPOUXBUXFEU-SDHSZQHLSA-N	0	0	437.449	5.249	50	30		IKEARN
COc1ccccc1-c1cc(-c2ccccc2)nc(SCc2ccccc2Cl)c1C#N	ZINC000008809738	569476519	/nfs/dbraw/zinc/47/65/19/569476519.db2.gz	QIGYMGQSSIDDJI-UHFFFAOYSA-N	0	0	442.971	7.242	50	30		IKEARN
COc1cccc(CSc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2C#N)c1	ZINC000008809737	569476534	/nfs/dbraw/zinc/47/65/34/569476534.db2.gz	ZBWSOZNGDDVKHX-UHFFFAOYSA-N	0	0	449.000	7.303	50	30		IKEARN
CC[C@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12	ZINC000008809748	569476556	/nfs/dbraw/zinc/47/65/56/569476556.db2.gz	KSBOFSXCICFQQR-KKMLCIJBSA-N	0	0	427.504	7.014	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1ccccc1)c1ccccc1	ZINC000008817534	569476944	/nfs/dbraw/zinc/47/69/44/569476944.db2.gz	MFMWGLPWFDZYFX-FQEVSTJZSA-N	0	0	430.460	5.218	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1	ZINC000008817537	569476962	/nfs/dbraw/zinc/47/69/62/569476962.db2.gz	HBQGFLGBTVZPQP-NRFANRHFSA-N	0	0	444.512	5.597	50	30		IKEARN
Cc1ccc(C)c(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)c1	ZINC000008818464	569477028	/nfs/dbraw/zinc/47/70/28/569477028.db2.gz	RSZGNIQCBYVQFY-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
N#Cc1c2c(sc1/N=C/c1ccc(-c3ccc(/N=N/c4ccccc4)cc3)o1)CCCC2	ZINC000008826552	569477558	/nfs/dbraw/zinc/47/75/58/569477558.db2.gz	DZGXQTANPNRZJP-UMJYARSTSA-N	0	0	436.540	7.925	50	30		IKEARN
CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2C=Nc2nc[nH]n2)cc1	ZINC000008842882	569478447	/nfs/dbraw/zinc/47/84/47/569478447.db2.gz	QFWNIMNQASCRKV-LJGKHRNASA-N	0	0	443.345	5.289	50	30		IKEARN
COc1ccc(NC(=O)CCSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1	ZINC000008843589	569478471	/nfs/dbraw/zinc/47/84/71/569478471.db2.gz	MKLDEFJMCJRJMB-UHFFFAOYSA-N	0	0	437.487	5.399	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1nccs1	ZINC000008843596	569478483	/nfs/dbraw/zinc/47/84/83/569478483.db2.gz	ZRWKZNNATQDFBK-UHFFFAOYSA-N	0	0	434.468	5.216	50	30		IKEARN
Cc1ccccc1OCc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)o1	ZINC000008844559	569478576	/nfs/dbraw/zinc/47/85/76/569478576.db2.gz	UTWTXJMCJFFQHV-UHFFFAOYSA-N	0	0	429.432	5.035	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cc(Cl)ccc3O)cc2)cc1	ZINC000008844389	569478585	/nfs/dbraw/zinc/47/85/85/569478585.db2.gz	WUFMTJSBUSOEBA-WUXMJOGZSA-N	0	0	427.909	5.051	50	30		IKEARN
O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1	ZINC000008853792	569479641	/nfs/dbraw/zinc/47/96/41/569479641.db2.gz	DEXHNMVTDNITDK-IOXBOXJCSA-N	0	0	447.266	5.876	50	30		IKEARN
Cc1ccn2c(/C=N/OCc3cccc(C(F)(F)F)c3)c(-c3ccc(Cl)cc3)nc2c1	ZINC000008855356	569479657	/nfs/dbraw/zinc/47/96/57/569479657.db2.gz	BKQBBQYUKFZLBF-XODNFHPESA-N	0	0	443.856	6.533	50	30		IKEARN
N#Cc1c(SCc2ccccc2Cl)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000008857535	569479854	/nfs/dbraw/zinc/47/98/54/569479854.db2.gz	DWKPEUHDGFEPDC-UHFFFAOYSA-N	0	0	436.964	7.434	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1	ZINC000008869471	569480437	/nfs/dbraw/zinc/48/04/37/569480437.db2.gz	SLFKMUZAMXAILW-QHCPKHFHSA-N	0	0	427.456	5.005	50	30		IKEARN
O=C(Nc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1	ZINC000008869690	569480509	/nfs/dbraw/zinc/48/05/09/569480509.db2.gz	XZVFPPHQPOQPAP-XOFWUJAUSA-N	0	0	447.535	5.029	50	30		IKEARN
CC[C@H](C)c1ccc(OCCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000008874992	569481062	/nfs/dbraw/zinc/48/10/62/569481062.db2.gz	ZEOQAZHMZKHYCM-RUTRRBQKSA-N	0	0	447.535	6.402	50	30		IKEARN
COc1ccc(CCNc2oc(-c3ccc(COc4cccc(C)c4)o3)nc2C#N)cc1	ZINC000039404131	569481546	/nfs/dbraw/zinc/48/15/46/569481546.db2.gz	YKSUXZXPXFAEHV-UHFFFAOYSA-N	0	0	429.476	5.357	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)C(c3ccccc3)c3ccccc3)s2)cc1	ZINC000008900546	569484096	/nfs/dbraw/zinc/48/40/96/569484096.db2.gz	AEKSMWQYSWQZJG-UHFFFAOYSA-N	0	0	442.569	5.473	50	30		IKEARN
COc1cc(NC(=O)Cn2c3cnccc3nc2SCc2cccc(C)c2)cc(OC)c1	ZINC000008913006	569485167	/nfs/dbraw/zinc/48/51/67/569485167.db2.gz	WCSSZLMRFCIOKE-UHFFFAOYSA-N	0	0	448.548	5.337	50	30		IKEARN
C=CCN(C(=O)Cn1c2cnccc2nc1SCc1ccc(F)cc1)c1ccccc1	ZINC000008913079	569485187	/nfs/dbraw/zinc/48/51/87/569485187.db2.gz	RTKRXRHBSLSALX-UHFFFAOYSA-N	0	0	432.524	5.082	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C(\C(=O)c1ccc(C)cc1)c1nc2ccccc2o1	ZINC000008915580	569485569	/nfs/dbraw/zinc/48/55/69/569485569.db2.gz	ATVSEIKSHPXOSM-CPNJWEJPSA-N	0	0	429.472	5.586	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1	ZINC000008915583	569485576	/nfs/dbraw/zinc/48/55/76/569485576.db2.gz	GZDPBPIDRXYYQE-OQKWZONESA-N	0	0	442.471	6.338	50	30		IKEARN
Cc1ccc(NC(=S)N/N=C/c2cn(CCCOc3ccccc3)c3ccccc23)cc1	ZINC000008916873	569485857	/nfs/dbraw/zinc/48/58/57/569485857.db2.gz	PGQYILAPUPAZOQ-OVVQPSECSA-N	0	0	442.588	5.739	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3cc(C)ccc3C)ccc2C1=O	ZINC000008917836	569486095	/nfs/dbraw/zinc/48/60/95/569486095.db2.gz	VTCLAYRVPPCBBN-ZRGSRPPYSA-N	0	0	446.499	5.524	50	30	biogenic	IKEARN
CN1CCc2c(sc(/N=C/c3ccc(Cl)cc3)c2C(=O)Nc2ccc(Cl)cc2)C1	ZINC000008923789	569487076	/nfs/dbraw/zinc/48/70/76/569487076.db2.gz	ARPAFDSZYQMWJD-BRJLIKDPSA-N	0	0	444.387	6.046	50	30		IKEARN
C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1cccs1	ZINC000008927527	569487303	/nfs/dbraw/zinc/48/73/03/569487303.db2.gz	WLRGDZXANHXURB-OGLMXYFKSA-N	0	0	441.512	5.926	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc2ccccc21	ZINC000008926858	569487310	/nfs/dbraw/zinc/48/73/10/569487310.db2.gz	IBBMSKMQHGJUTR-QFIPXVFZSA-N	0	0	435.907	5.108	50	30		IKEARN
C=CCN1C(=O)N(c2cccc(Cl)c2)[C@@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C	ZINC000008934122	569487888	/nfs/dbraw/zinc/48/78/88/569487888.db2.gz	FWFBMORQGDLJPJ-SFHVURJKSA-N	0	0	449.338	5.449	50	30		IKEARN
C=CCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2sc(C)c(C)c2c1=O	ZINC000008944320	569488902	/nfs/dbraw/zinc/48/89/02/569488902.db2.gz	VWSRGZRCAOMKMN-UHFFFAOYSA-N	0	0	444.969	5.257	50	30		IKEARN
CC1(C)SC(=S)N(/N=C/c2cccs2)[C@@H]1N(O)C(=O)Nc1ccc(Cl)cc1	ZINC000008951398	569489846	/nfs/dbraw/zinc/48/98/46/569489846.db2.gz	UNEWJJCUZQOVOH-LEBHLANCSA-N	0	0	441.003	5.097	50	30		IKEARN
Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000008951403	569489851	/nfs/dbraw/zinc/48/98/51/569489851.db2.gz	QLQURPUFSUZIKX-ORWNMUSCSA-N	0	0	449.001	5.344	50	30		IKEARN
CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccccc3)c3c(c21)CC(C)(C)OC3	ZINC000008951504	569489906	/nfs/dbraw/zinc/48/99/06/569489906.db2.gz	JXFOTWYEALWKAC-AFUMVMLFSA-N	0	0	438.549	5.688	50	30		IKEARN
Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1	ZINC000008951404	569489910	/nfs/dbraw/zinc/48/99/10/569489910.db2.gz	QLQURPUFSUZIKX-QQZPLFJDSA-N	0	0	449.001	5.344	50	30		IKEARN
N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)c1cc2ccccc2oc1=O	ZINC000008952095	569490008	/nfs/dbraw/zinc/49/00/08/569490008.db2.gz	DSVSOYJJQDLSFF-UHFFFAOYSA-N	0	0	432.888	5.355	50	30		IKEARN
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@@H]1c1ccc(F)cc1	ZINC000008965003	569491231	/nfs/dbraw/zinc/49/12/31/569491231.db2.gz	BTMOUTKVMTXKRI-GOSISDBHSA-N	0	0	440.927	5.774	50	30		IKEARN
CCCCOc1cccc(NC(=O)CSc2nc(C)cc(-c3cccnc3)c2C#N)c1	ZINC000008964943	569491300	/nfs/dbraw/zinc/49/13/00/569491300.db2.gz	KZORTAUQZNCWBR-UHFFFAOYSA-N	0	0	432.549	5.233	50	30		IKEARN
COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)C[C@H](C(C)(C)C)CC3)c1	ZINC000008965036	569491342	/nfs/dbraw/zinc/49/13/42/569491342.db2.gz	KAXHYVZWVXAUCZ-GOSISDBHSA-N	0	0	448.657	7.134	50	30		IKEARN
CCN(CC)c1ccc(N/N=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	ZINC000008965447	569491452	/nfs/dbraw/zinc/49/14/52/569491452.db2.gz	RMWZSBQMRHAPTC-RRAHZORUSA-N	0	0	443.532	5.102	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1nn(-c3ccccc3)c(=S)s1)CCCC2	ZINC000008982000	569494497	/nfs/dbraw/zinc/49/44/97/569494497.db2.gz	JZWLVUYIVRTNIF-UHFFFAOYSA-N	0	0	444.632	5.206	50	30		IKEARN
N#Cc1c(/N=C/N2CCOCC2)n(Cc2ccccc2)c(-c2ccccc2)c1-c1ccccc1	ZINC000008984096	569494715	/nfs/dbraw/zinc/49/47/15/569494715.db2.gz	JCQBVOJAZNDGLZ-DFKUXCBWSA-N	0	0	446.554	5.734	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl	ZINC000008986404	569494820	/nfs/dbraw/zinc/49/48/20/569494820.db2.gz	VQYYGXZPSUHTPV-DEOSSOPVSA-N	0	0	443.374	6.691	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C2=O)c2ccccc21	ZINC000008992127	569495292	/nfs/dbraw/zinc/49/52/92/569495292.db2.gz	VLDBJTIDQPKCOH-AFUMVMLFSA-N	0	0	427.475	6.304	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1	ZINC000008992206	569495293	/nfs/dbraw/zinc/49/52/93/569495293.db2.gz	PPYSDCPHSOLLIL-AWEZNQCLSA-N	0	0	438.946	7.069	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3C#N)n2)cc1	ZINC000008991672	569495336	/nfs/dbraw/zinc/49/53/36/569495336.db2.gz	IBZPCAJQLMHHDK-UHFFFAOYSA-N	0	0	425.435	5.812	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(C)cc4)ccc3C1=O)cn2C	ZINC000008993368	569495456	/nfs/dbraw/zinc/49/54/56/569495456.db2.gz	IFUWCPPNCLLQCD-BRJLIKDPSA-N	0	0	439.467	5.331	50	30		IKEARN
O=C(Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]	ZINC000008995327	569495626	/nfs/dbraw/zinc/49/56/26/569495626.db2.gz	DJXRKRPJYJIITR-AFUMVMLFSA-N	0	0	447.834	5.873	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000008996268	569495821	/nfs/dbraw/zinc/49/58/21/569495821.db2.gz	DXCFOPCZNVXJEO-QHCPKHFHSA-N	0	0	442.515	5.171	50	30		IKEARN
Clc1ccc(-c2[nH]c(-c3cccc(C#Cc4ccccc4)c3)nc2-c2ccccc2)cc1	ZINC000008996963	569495868	/nfs/dbraw/zinc/49/58/68/569495868.db2.gz	YJGDKEUHTZMXGH-UHFFFAOYSA-N	0	0	430.938	7.464	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(Cl)cc2)sc1C	ZINC000009008750	569496394	/nfs/dbraw/zinc/49/63/94/569496394.db2.gz	XTXKQCXRYHKGAZ-IBGZPJMESA-N	0	0	438.936	5.505	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000009019811	569496889	/nfs/dbraw/zinc/49/68/89/569496889.db2.gz	CELIVHCDEHZDQM-UIAIJNLVSA-N	0	0	431.561	5.483	50	30		IKEARN
N#Cc1c(SCC(=O)OCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCC2	ZINC000009034249	569497264	/nfs/dbraw/zinc/49/72/64/569497264.db2.gz	QPNJNFARZCHREM-UHFFFAOYSA-N	0	0	434.948	5.598	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)nc2ccccc21)c1ccc(Cl)cc1	ZINC000009034206	569497284	/nfs/dbraw/zinc/49/72/84/569497284.db2.gz	NDPSVOLUTWUQOG-XODNFHPESA-N	0	0	441.749	7.093	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)sc2c1	ZINC000009041812	569497589	/nfs/dbraw/zinc/49/75/89/569497589.db2.gz	JSFKICSOFRAUDZ-IBGZPJMESA-N	0	0	432.526	5.449	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009043461	569497805	/nfs/dbraw/zinc/49/78/05/569497805.db2.gz	WVONAXLVMLGYRK-NRFANRHFSA-N	0	0	448.544	5.250	50	30		IKEARN
COc1ccccc1/C=C/C=C(/C(=O)c1ccc(OC)c(OC)c1)c1nc2ccccc2o1	ZINC000009051004	569498702	/nfs/dbraw/zinc/49/87/02/569498702.db2.gz	YQEMXUADESEJHZ-UXZDSFPZSA-N	0	0	441.483	5.833	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@H]2c1ccc(F)cc1)OCCCO4	ZINC000009058674	569499279	/nfs/dbraw/zinc/49/92/79/569499279.db2.gz	NVTWLRKJNSNUFL-NRFANRHFSA-N	0	0	445.534	5.627	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C=C2)C=C(Nc2ccc(OC)cc2OC)c2c(C)oc(C)c21	ZINC000009065000	569499602	/nfs/dbraw/zinc/49/96/02/569499602.db2.gz	OCVLRMFLQLGZQC-UHFFFAOYSA-N	0	0	445.515	5.749	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000009086066	569500581	/nfs/dbraw/zinc/50/05/81/569500581.db2.gz	KRMWPKMMWHBYRD-SFHVURJKSA-N	0	0	448.744	5.481	50	30		IKEARN
N#Cc1c(OCC(=O)c2ccc(Br)cc2)nc2c(c1-c1ccccc1)CCCC2	ZINC000009086539	569500661	/nfs/dbraw/zinc/50/06/61/569500661.db2.gz	FDAYTGFJCMZTCP-UHFFFAOYSA-N	0	0	447.332	5.523	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000245241332	569500709	/nfs/dbraw/zinc/50/07/09/569500709.db2.gz	ANTLLZHQDMIOLB-WOTIJCTKSA-N	0	0	447.446	6.959	50	30	biogenic	IKEARN
N#Cc1cc([N+](=O)[O-])ccc1NP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1	ZINC000009086883	569500765	/nfs/dbraw/zinc/50/07/65/569500765.db2.gz	LFLIWQIINFKGBN-UHFFFAOYSA-N	0	0	429.372	6.184	50	30		IKEARN
C[C@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1	ZINC000009125600	569504687	/nfs/dbraw/zinc/50/46/87/569504687.db2.gz	DRMHMHGWBDFNDR-QGZVFWFLSA-N	0	0	438.000	5.632	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009152920	569507922	/nfs/dbraw/zinc/50/79/22/569507922.db2.gz	IWUJMPKWRQTWMZ-NRFANRHFSA-N	0	0	429.520	5.295	50	30		IKEARN
COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009152912	569507927	/nfs/dbraw/zinc/50/79/27/569507927.db2.gz	WJTMMYBVMOFQPO-NRFANRHFSA-N	0	0	429.520	5.295	50	30		IKEARN
C[C@H](Sc1nc2ccccc2n1CCc1ccccc1)C(=O)Nc1sccc1C#N	ZINC000009156002	569508277	/nfs/dbraw/zinc/50/82/77/569508277.db2.gz	IVLRFJOLVJKSBI-INIZCTEOSA-N	0	0	432.574	5.331	50	30		IKEARN
CC(=O)Nc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000009177717	569509673	/nfs/dbraw/zinc/50/96/73/569509673.db2.gz	KQQBUTFVBPHWHZ-JOCHJYFZSA-N	0	0	446.890	5.081	50	30		IKEARN
Cc1c(C)n(Cc2cccs2)c(NC(=O)CN2CCCSc3ccccc32)c1C#N	ZINC000009204866	569511358	/nfs/dbraw/zinc/51/13/58/569511358.db2.gz	UGKMXHDIMAHVJK-UHFFFAOYSA-N	0	0	436.606	5.027	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009234041	569513893	/nfs/dbraw/zinc/51/38/93/569513893.db2.gz	TUOYNQGJFHENKH-LJQANCHMSA-N	0	0	438.574	5.728	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009237373	569514228	/nfs/dbraw/zinc/51/42/28/569514228.db2.gz	FELDPBAPVBFUGX-JOCHJYFZSA-N	0	0	440.524	5.696	50	30		IKEARN
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1	ZINC000009243279	569514864	/nfs/dbraw/zinc/51/48/64/569514864.db2.gz	XKQKLJWHSKBKCX-HSZRJFAPSA-N	0	0	446.503	5.335	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000009272883	569517985	/nfs/dbraw/zinc/51/79/85/569517985.db2.gz	YBKMOOLMLHACHQ-JOCHJYFZSA-N	0	0	432.907	5.189	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000009272884	569518042	/nfs/dbraw/zinc/51/80/42/569518042.db2.gz	YBKMOOLMLHACHQ-QFIPXVFZSA-N	0	0	432.907	5.189	50	30		IKEARN
COc1ccc2cc(C=NNc3ncnc4scc(-c5ccccc5)c43)c(=O)[nH]c2c1	ZINC000009290825	569519756	/nfs/dbraw/zinc/51/97/56/569519756.db2.gz	LSIUAXAWVZWLGJ-KBKYJPHKSA-N	0	0	427.489	5.067	50	30		IKEARN
COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)o2)cc1	ZINC000009296702	569520499	/nfs/dbraw/zinc/52/04/99/569520499.db2.gz	MHQVCTXHXIKVRG-XDHOZWIPSA-N	0	0	438.892	5.278	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc3ccccc32)s1	ZINC000009301876	569520802	/nfs/dbraw/zinc/52/08/02/569520802.db2.gz	ZTEXITHKHWRTMF-OAQYLSRUSA-N	0	0	441.512	5.091	50	30		IKEARN
CCc1ccccc1/N=C1/S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C	ZINC000009305399	569521246	/nfs/dbraw/zinc/52/12/46/569521246.db2.gz	FPTGZPMOTJGPMO-ASAQIREPSA-N	0	0	447.516	5.959	50	30		IKEARN
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccc2Cl)cc1	ZINC000009307543	569521410	/nfs/dbraw/zinc/52/14/10/569521410.db2.gz	TUFPCBPLXUEIEL-UHFFFAOYSA-N	0	0	446.963	6.150	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2cccc(Cl)c2)n2c3ccccc3nc2c1C#N	ZINC000009308101	569521442	/nfs/dbraw/zinc/52/14/42/569521442.db2.gz	WQUHKYWGWYMDOT-UHFFFAOYSA-N	0	0	434.952	5.696	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccccc1Cl	ZINC000009307972	569521484	/nfs/dbraw/zinc/52/14/84/569521484.db2.gz	NESUIOAPIDIPJC-UHFFFAOYSA-N	0	0	426.973	5.386	50	30		IKEARN
Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCc2ccccc2)cc1	ZINC000009308489	569521541	/nfs/dbraw/zinc/52/15/41/569521541.db2.gz	IUGTYIHTRXNSQC-UHFFFAOYSA-N	0	0	430.555	6.221	50	30		IKEARN
C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1	ZINC000009310026	569521731	/nfs/dbraw/zinc/52/17/31/569521731.db2.gz	SDKUGTDDYYBFSW-AZGAKELHSA-N	0	0	446.934	6.156	50	30		IKEARN
COc1ccc(C=NNc2nc3ccccc3s2)cc1OCc1c(F)cccc1Cl	ZINC000009310459	569521765	/nfs/dbraw/zinc/52/17/65/569521765.db2.gz	KOEJQVOJPMBGKZ-BRJLIKDPSA-N	0	0	441.915	6.122	50	30		IKEARN
COc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	ZINC000009312246	569521880	/nfs/dbraw/zinc/52/18/80/569521880.db2.gz	YEMALLOEYDMFDR-HSZRJFAPSA-N	0	0	436.552	5.551	50	30		IKEARN
COc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC	ZINC000009313188	569521914	/nfs/dbraw/zinc/52/19/14/569521914.db2.gz	YEMALLOEYDMFDR-QHCPKHFHSA-N	0	0	436.552	5.551	50	30		IKEARN
CC1(C)C[C@@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccc(Br)cc1	ZINC000009312808	569521953	/nfs/dbraw/zinc/52/19/53/569521953.db2.gz	LGNBPKGJXMXFNJ-NRFANRHFSA-N	0	0	444.398	5.202	50	30		IKEARN
COc1ccc(NC(=O)c2ccc(N=NC(C)c3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	ZINC000009332412	569523103	/nfs/dbraw/zinc/52/31/03/569523103.db2.gz	MJRYJKTYOLZRAM-AFUMVMLFSA-N	0	0	438.871	5.345	50	30		IKEARN
Cc1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2cc(Cl)cc(Cl)c2)n1	ZINC000009341263	569523898	/nfs/dbraw/zinc/52/38/98/569523898.db2.gz	UYEUAWPQWZIVAR-UHFFFAOYSA-N	0	0	448.297	6.098	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)c1ccc(Cl)cc1	ZINC000009348667	569524533	/nfs/dbraw/zinc/52/45/33/569524533.db2.gz	KWPKGDWTQNXEAG-BCHBDCPOSA-N	0	0	425.241	6.305	50	30		IKEARN
N#Cc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(C(=O)c4ccc(F)cc4)cc3)[nH]2)cc1	ZINC000009354933	569525149	/nfs/dbraw/zinc/52/51/49/569525149.db2.gz	ULSOAIKMJVGHAH-UHFFFAOYSA-N	0	0	443.481	6.652	50	30		IKEARN
CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@H]2CN=N[C@]2(C(C)(C)C)C1=O	ZINC000009357875	569525585	/nfs/dbraw/zinc/52/55/85/569525585.db2.gz	AVACOHUQWPOENZ-YBAFNYOBSA-N	0	0	440.591	6.302	50	30		IKEARN
CC(C)(C)C1=C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H]2CN=N[C@@]2(C(C)(C)C)C1=O	ZINC000009357877	569525648	/nfs/dbraw/zinc/52/56/48/569525648.db2.gz	AVACOHUQWPOENZ-ZBOUVJLGSA-N	0	0	440.591	6.302	50	30		IKEARN
N#Cc1c2c(c(Nc3cc(Cl)c(Cl)cc3Cl)n3c4ccccc4nc13)CCC2	ZINC000009360482	569525779	/nfs/dbraw/zinc/52/57/79/569525779.db2.gz	MZWOLAIISKVEMF-UHFFFAOYSA-N	0	0	427.722	6.552	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl	ZINC000009370730	569526793	/nfs/dbraw/zinc/52/67/93/569526793.db2.gz	WLSWQWVNLFYOOH-NRFANRHFSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000009370809	569526796	/nfs/dbraw/zinc/52/67/96/569526796.db2.gz	LREHHTWOUITJQE-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000009370736	569526869	/nfs/dbraw/zinc/52/68/69/569526869.db2.gz	XXNYPZYFQKYNGI-JELBAWGMSA-N	0	0	440.455	5.086	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(OC)c(OC)c2)N(Cc2ccccc2C)C1=O	ZINC000009379899	569527752	/nfs/dbraw/zinc/52/77/52/569527752.db2.gz	XUIROGDAGSHYTR-MNWLEOAJSA-N	0	0	439.581	5.037	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3s2)cc1	ZINC000009379981	569527783	/nfs/dbraw/zinc/52/77/83/569527783.db2.gz	GCEVMCSEUDKBBE-HKWRFOASSA-N	0	0	445.540	6.136	50	30		IKEARN
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C1=C(O)C=Cc1ccccc1	ZINC000009379757	569527819	/nfs/dbraw/zinc/52/78/19/569527819.db2.gz	HZYBHUSUBXHFHT-NSFRLNINSA-N	0	0	449.428	5.888	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009380392	569527898	/nfs/dbraw/zinc/52/78/98/569527898.db2.gz	SNKHLBGAXQLCIW-JOCHJYFZSA-N	0	0	432.907	5.189	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1	ZINC000009385633	569528446	/nfs/dbraw/zinc/52/84/46/569528446.db2.gz	UPVBIHAEZRFNQU-UHFFFAOYSA-N	0	0	433.515	5.462	50	30		IKEARN
Cc1c(C#N)c(NC(=O)Cc2cccc3ccccc32)sc1Cc1ccc2c(c1)OCO2	ZINC000009390677	569528681	/nfs/dbraw/zinc/52/86/81/569528681.db2.gz	ATULNHIVIJZSIP-UHFFFAOYSA-N	0	0	440.524	5.582	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2cccc3ccccc32)sc1Cc1ccc2c(c1)OCO2	ZINC000009390675	569528725	/nfs/dbraw/zinc/52/87/25/569528725.db2.gz	XOUZKYYFRKODRK-UHFFFAOYSA-N	0	0	426.497	5.653	50	30		IKEARN
Cc1c(C#N)c(NC(=O)CCSc2ccccc2)sc1Cc1ccc2c(c1)OCO2	ZINC000009390688	569528773	/nfs/dbraw/zinc/52/87/73/569528773.db2.gz	SCZXSRKYVXDDPV-UHFFFAOYSA-N	0	0	436.558	5.369	50	30		IKEARN
N#Cc1c(SCc2cccc3ccccc32)nc(-c2cccs2)cc1C(F)(F)F	ZINC000009418513	569532460	/nfs/dbraw/zinc/53/24/60/569532460.db2.gz	OOZGBWZBGQQILF-UHFFFAOYSA-N	0	0	426.488	7.146	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C(C)(C)C)c3C)C2=O)c2cc(OC)ccc21	ZINC000009421000	569532708	/nfs/dbraw/zinc/53/27/08/569532708.db2.gz	QTMITFRAHAIIGD-WSDLNYQXSA-N	0	0	433.504	5.546	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C1=O)cn2C	ZINC000009422045	569532850	/nfs/dbraw/zinc/53/28/50/569532850.db2.gz	ZFISQKDUXOBPSZ-ZMOGYAJESA-N	0	0	445.515	5.597	50	30		IKEARN
COc1ccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)cc1	ZINC000009422874	569532886	/nfs/dbraw/zinc/53/28/86/569532886.db2.gz	PSQSOJLGCKRUFN-UHFFFAOYSA-N	0	0	449.498	5.370	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccc(F)cc4)c3C)C2=O)c2ccccc21	ZINC000009422826	569532903	/nfs/dbraw/zinc/53/29/03/569532903.db2.gz	GHHYLIPCYGXOQC-ZVHZXABRSA-N	0	0	441.458	5.944	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C1=O)cn2C	ZINC000009422529	569532921	/nfs/dbraw/zinc/53/29/21/569532921.db2.gz	CDPUQQUCSWXIIK-BHGWPJFGSA-N	0	0	443.430	5.161	50	30		IKEARN
Cc1c2c(ccc1OC(=O)c1ccc(F)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009423562	569532928	/nfs/dbraw/zinc/53/29/28/569532928.db2.gz	XCNZOZVRYVMGQD-YDZHTSKRSA-N	0	0	427.431	5.461	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000009423048	569532966	/nfs/dbraw/zinc/53/29/66/569532966.db2.gz	XAFSHQILHXJWIC-CQSZACIVSA-N	0	0	438.946	7.069	50	30		IKEARN
Cn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c2ccccc21	ZINC000009423602	569532970	/nfs/dbraw/zinc/53/29/70/569532970.db2.gz	CTEWFGVGVMEDSK-FSJBWODESA-N	0	0	429.859	5.667	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCCc3ccccc3)n2)cc1OC	ZINC000009423268	569532974	/nfs/dbraw/zinc/53/29/74/569532974.db2.gz	ICWIDLVQPCPJGA-UHFFFAOYSA-N	0	0	444.478	5.991	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)c2ccccc21	ZINC000009423622	569533017	/nfs/dbraw/zinc/53/30/17/569533017.db2.gz	VTWNAFPHVFGPMF-VWVVIRKJSA-N	0	0	435.523	6.678	50	30		IKEARN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@@H]3c3cccc(Cl)c3)ccc2O1	ZINC000009424260	569533098	/nfs/dbraw/zinc/53/30/98/569533098.db2.gz	UUMOJUBWCNJEIZ-RCDICMHDSA-N	0	0	449.890	5.035	50	30		IKEARN
C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000009424261	569533102	/nfs/dbraw/zinc/53/31/02/569533102.db2.gz	UUMOJUBWCNJEIZ-PEBXRYMYSA-N	0	0	449.890	5.035	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCCCOc2ccc(Cl)cc2)SC1=S	ZINC000009425742	569533242	/nfs/dbraw/zinc/53/32/42/569533242.db2.gz	FPKPCJGNHOORCE-HKWRFOASSA-N	0	0	445.993	5.575	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(OC(C)C)cc3)nc3ccccc32)c(OC)c1	ZINC000009428587	569533566	/nfs/dbraw/zinc/53/35/66/569533566.db2.gz	BZOVXRBOVHBUTF-JVWAILMASA-N	0	0	442.519	5.547	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(F)c3)sc2C1	ZINC000009434399	569534679	/nfs/dbraw/zinc/53/46/79/569534679.db2.gz	GOLHMTYNORBMKP-CQSZACIVSA-N	0	0	429.586	5.427	50	30		IKEARN
COc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)c(OC)c1OC	ZINC000009433998	569534725	/nfs/dbraw/zinc/53/47/25/569534725.db2.gz	SMDOXOQBDZXXEU-RUZDIDTESA-N	0	0	431.513	5.579	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(CC)cc2)cc1	ZINC000009454079	569536660	/nfs/dbraw/zinc/53/66/60/569536660.db2.gz	ZNHQUHCKIGMDLT-HSZRJFAPSA-N	0	0	446.503	5.117	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1c3ccccc3cc3ccccc31)C1=C(CC(C)(C)CC1=O)N2	ZINC000009462461	569537326	/nfs/dbraw/zinc/53/73/26/569537326.db2.gz	XOJYKUMIUPRRGA-SSEXGKCCSA-N	0	0	446.594	7.832	50	30		IKEARN
COc1ccc2c(c1)nc(SCC(=O)[C@@H](C#N)c1nc(C)cs1)cc2-c1ccccc1	ZINC000009465039	569537872	/nfs/dbraw/zinc/53/78/72/569537872.db2.gz	NYKLDOIUVRAZKW-HXUWFJFHSA-N	0	0	445.569	5.644	50	30		IKEARN
CCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009465474	569537964	/nfs/dbraw/zinc/53/79/64/569537964.db2.gz	ZKHOKWUADQIYFE-HHHXNRCGSA-N	0	0	448.607	6.713	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1	ZINC000009476906	569539133	/nfs/dbraw/zinc/53/91/33/569539133.db2.gz	XZMSGUMZNPEWPN-YVNNLAQVSA-N	0	0	448.858	5.350	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009482653	569539482	/nfs/dbraw/zinc/53/94/82/569539482.db2.gz	YDEVQCXZQIFRED-QKKBWIMNSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009482640	569539498	/nfs/dbraw/zinc/53/94/98/569539498.db2.gz	YDEVQCXZQIFRED-SPLOXXLWSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009482648	569539500	/nfs/dbraw/zinc/53/95/00/569539500.db2.gz	YDEVQCXZQIFRED-LHSJRXKWSA-N	0	0	441.314	5.954	50	30		IKEARN
COc1ccc(/C=C(/C(=O)c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)c(OC)c1	ZINC000009483953	569539521	/nfs/dbraw/zinc/53/95/21/569539521.db2.gz	AYWGLLXWKRHNOW-UYRXBGFRSA-N	0	0	445.471	5.286	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@@H]3c2ccc(C)cc2)cc1	ZINC000009488025	569539842	/nfs/dbraw/zinc/53/98/42/569539842.db2.gz	ODYMRBPZHOQQTA-RXFWQSSRSA-N	0	0	447.534	5.699	50	30		IKEARN
Cc1[nH]c2ccccc2c1C(=O)c1oc2ccccc2c1-c1cc(C#N)c(=O)n(C2CC2)c1	ZINC000009494249	569540858	/nfs/dbraw/zinc/54/08/58/569540858.db2.gz	VQKDXVAAOSTPRY-UHFFFAOYSA-N	0	0	433.467	5.489	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1cccc(OC)c1	ZINC000009498676	569541359	/nfs/dbraw/zinc/54/13/59/569541359.db2.gz	RDFBKHBKFXEYQB-UHFFFAOYSA-N	0	0	441.556	5.782	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000009508016	569542196	/nfs/dbraw/zinc/54/21/96/569542196.db2.gz	IOSYIHROUVPLMR-UHFFFAOYSA-N	0	0	445.935	5.190	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2cccs2)o1)c1nc(-c2ccccc2)cs1	ZINC000009509224	569542533	/nfs/dbraw/zinc/54/25/33/569542533.db2.gz	BUDDXGUXBPWESQ-UHFFFAOYSA-N	0	0	440.575	5.233	50	30		IKEARN
Cc1cccc(OCCn2cc(/C=N/NC(=S)NCc3ccccc3)c3ccccc32)c1	ZINC000009553942	569546768	/nfs/dbraw/zinc/54/67/68/569546768.db2.gz	VOEQSOJKNXJFMI-MTDXEUNCSA-N	0	0	442.588	5.027	50	30		IKEARN
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	ZINC000009562085	569547203	/nfs/dbraw/zinc/54/72/03/569547203.db2.gz	UZVXMBNKSRIHPE-UHFFFAOYSA-N	0	0	445.935	5.190	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccc(Cl)c2)C3=O)cc1	ZINC000009576835	569548096	/nfs/dbraw/zinc/54/80/96/569548096.db2.gz	WIEOBCKVSNPFEZ-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
COc1ccc(-n2c(SCc3ccccc3C#N)nnc2-c2ccccc2)cc1OC	ZINC000009584137	569549329	/nfs/dbraw/zinc/54/93/29/569549329.db2.gz	ISVUMPNRRMBHKQ-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000009583849	569549337	/nfs/dbraw/zinc/54/93/37/569549337.db2.gz	BNOJJRVSBBMYQX-AWEZNQCLSA-N	0	0	428.579	5.169	50	30		IKEARN
Cc1cc(SCC(=O)Nc2c(Cl)cccc2Cl)n2c3ccccc3nc2c1C#N	ZINC000009588031	569549814	/nfs/dbraw/zinc/54/98/14/569549814.db2.gz	WCOGGQKFULOXCY-UHFFFAOYSA-N	0	0	441.343	5.705	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597382	569550956	/nfs/dbraw/zinc/55/09/56/569550956.db2.gz	YVUYQXCLOWMDBF-HXUWFJFHSA-N	0	0	433.939	5.939	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009601018	569551526	/nfs/dbraw/zinc/55/15/26/569551526.db2.gz	RKVRSJGSJWAWLW-CHJDUVSTSA-N	0	0	431.535	6.916	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12	ZINC000009601024	569551567	/nfs/dbraw/zinc/55/15/67/569551567.db2.gz	YDSDGVVXZWVWDR-URAOTHONSA-N	0	0	445.518	6.636	50	30		IKEARN
CN(C)c1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009602019	569551666	/nfs/dbraw/zinc/55/16/66/569551666.db2.gz	AOSIQHVFWXGOAG-QFIPXVFZSA-N	0	0	447.970	5.323	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@H](c3cccs3)C12	ZINC000009608546	569552132	/nfs/dbraw/zinc/55/21/32/569552132.db2.gz	NRXZLRQOWQBRAK-GOSISDBHSA-N	0	0	428.970	5.307	50	30		IKEARN
Cc1cccc(Nc2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)s2)c1	ZINC000009616766	569553299	/nfs/dbraw/zinc/55/32/99/569553299.db2.gz	XPLGCYLJBQIEAO-UHFFFAOYSA-N	0	0	441.607	5.133	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000009632938	569554123	/nfs/dbraw/zinc/55/41/23/569554123.db2.gz	ADUQFDXVSNNGNN-UHFFFAOYSA-N	0	0	447.903	5.030	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1ccoc1C	ZINC000009635107	569554543	/nfs/dbraw/zinc/55/45/43/569554543.db2.gz	VXVFMSYEZNECAE-UHFFFAOYSA-N	0	0	427.529	5.579	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)cc1	ZINC000009635938	569554673	/nfs/dbraw/zinc/55/46/73/569554673.db2.gz	FMSCHFWHVYOSSH-JOCHJYFZSA-N	0	0	432.361	6.803	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C1	ZINC000009640031	569555360	/nfs/dbraw/zinc/55/53/60/569555360.db2.gz	NRLZCQKYUVMKKX-LBPRGKRZSA-N	0	0	435.599	6.335	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(Cl)cc2Cl)SC(=Cc2cccc(O)c2)C1=O	ZINC000009659931	569556708	/nfs/dbraw/zinc/55/67/08/569556708.db2.gz	KDKZPOZVPZDJMA-SXGWCWSVSA-N	0	0	436.316	5.243	50	30		IKEARN
C=CCn1c(S[C@@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1	ZINC000009669844	569558158	/nfs/dbraw/zinc/55/81/58/569558158.db2.gz	NFKAFHCXWRFVRF-HXUWFJFHSA-N	0	0	441.000	5.486	50	30		IKEARN
CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1	ZINC000009720923	569563317	/nfs/dbraw/zinc/56/33/17/569563317.db2.gz	YHMVZBXKXHSXDK-STZFKDTASA-N	0	0	432.549	5.088	50	30		IKEARN
COCCCN1C(=O)/C(=C/c2ccc(Br)s2)S/C1=N\c1ccccc1	ZINC000009720639	569563347	/nfs/dbraw/zinc/56/33/47/569563347.db2.gz	HTFUJRNXZFWFNP-WOWDFQAJSA-N	0	0	437.384	5.151	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc(F)cc1	ZINC000009725663	569563813	/nfs/dbraw/zinc/56/38/13/569563813.db2.gz	UGWQYNQJSQUZJY-UHFFFAOYSA-N	0	0	426.517	5.825	50	30		IKEARN
C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1ccccc1C#N	ZINC000009729569	569564264	/nfs/dbraw/zinc/56/42/64/569564264.db2.gz	BITMMWGSGPGUGX-ZDUSSCGKSA-N	0	0	436.587	5.858	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(F)cc2)SC(=Cc2cccc(Br)c2)C1=O	ZINC000009731067	569564498	/nfs/dbraw/zinc/56/44/98/569564498.db2.gz	GEUCTLMLMPOZKC-WJDWOHSUSA-N	0	0	448.313	5.132	50	30		IKEARN
CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c(Cl)c2)C2=C1CC(C)(C)CC2=O	ZINC000009731353	569564586	/nfs/dbraw/zinc/56/45/86/569564586.db2.gz	NPMPKRNHXJLMHA-UHFFFAOYSA-N	0	0	441.999	6.054	50	30		IKEARN
COc1ccc(-c2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731754	569564663	/nfs/dbraw/zinc/56/46/63/569564663.db2.gz	VGBRQKMWBAOVAT-OAQYLSRUSA-N	0	0	434.927	5.265	50	30		IKEARN
COc1cccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1	ZINC000009731821	569564732	/nfs/dbraw/zinc/56/47/32/569564732.db2.gz	VVWNYNGQYQHAER-NRFANRHFSA-N	0	0	434.927	5.265	50	30		IKEARN
COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4cccc(Cl)c4)nn32)c1	ZINC000009731823	569564752	/nfs/dbraw/zinc/56/47/52/569564752.db2.gz	VVWNYNGQYQHAER-OAQYLSRUSA-N	0	0	434.927	5.265	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccccc1	ZINC000009779435	569567366	/nfs/dbraw/zinc/56/73/66/569567366.db2.gz	FQFPHGIEPQTZQF-SKCUWOTOSA-N	0	0	436.555	6.243	50	30		IKEARN
COc1ccc2ccccc2c1[C@@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(C)=O	ZINC000009781512	569567607	/nfs/dbraw/zinc/56/76/07/569567607.db2.gz	FTVVYLCMCNFUBV-RUZDIDTESA-N	0	0	441.556	5.517	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(Cl)cc1	ZINC000009790739	569568214	/nfs/dbraw/zinc/56/82/14/569568214.db2.gz	XLXWZEPFJNLZEQ-CQSZACIVSA-N	0	0	431.920	5.199	50	30		IKEARN
Cc1nc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)c(C#N)c(C)c1C	ZINC000009794521	569568413	/nfs/dbraw/zinc/56/84/13/569568413.db2.gz	MONHPYVQMOUKCO-GOSISDBHSA-N	0	0	436.562	5.003	50	30		IKEARN
CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)Nc3ccc(C#N)cc3)ccc21	ZINC000009805428	569568756	/nfs/dbraw/zinc/56/87/56/569568756.db2.gz	JQVHQIWDFKPLBY-SFHVURJKSA-N	0	0	438.531	5.680	50	30		IKEARN
O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1	ZINC000009849827	569571402	/nfs/dbraw/zinc/57/14/02/569571402.db2.gz	RTQUVIKQMWQVQF-UAPGPWSHSA-N	0	0	435.936	5.505	50	30		IKEARN
CCOc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(C)c3)nn21	ZINC000009856594	569571602	/nfs/dbraw/zinc/57/16/02/569571602.db2.gz	WSGBRJIXRZQUHN-HSZRJFAPSA-N	0	0	446.576	5.300	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(Cl)c3)nn21	ZINC000009856510	569571605	/nfs/dbraw/zinc/57/16/05/569571605.db2.gz	YDQRHFWLDWPXQK-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3cccc(Cl)c3)nn21	ZINC000009856508	569571610	/nfs/dbraw/zinc/57/16/10/569571610.db2.gz	YDQRHFWLDWPXQK-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
CCOc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3C)nn21	ZINC000009856592	569571614	/nfs/dbraw/zinc/57/16/14/569571614.db2.gz	IWUCKSFKRGXOJQ-QHCPKHFHSA-N	0	0	446.576	5.300	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009861357	569571993	/nfs/dbraw/zinc/57/19/93/569571993.db2.gz	FNGFQLCUZHNXMT-SANMLTNESA-N	0	0	434.536	5.401	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000009861343	569572006	/nfs/dbraw/zinc/57/20/06/569572006.db2.gz	YRYPSTAXPBKBDQ-DEOSSOPVSA-N	0	0	443.374	6.691	50	30		IKEARN
COc1ccccc1NC(=O)c1c(/N=C/c2ccc(N(C)C)cc2)sc2c1CC[C@H](C)C2	ZINC000009907626	569573176	/nfs/dbraw/zinc/57/31/76/569573176.db2.gz	GRBPHZITUAMPKJ-DCMOEJRUSA-N	0	0	447.604	5.950	50	30		IKEARN
CC(C)c1ccc(-c2c3c(nc(SCC(=O)c4ccc(Cl)cc4)c2C#N)CCC3)cc1	ZINC000009968632	569575923	/nfs/dbraw/zinc/57/59/23/569575923.db2.gz	ZJNWAZPRZTWUGX-UHFFFAOYSA-N	0	0	447.003	6.861	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1	ZINC000009969608	569576085	/nfs/dbraw/zinc/57/60/85/569576085.db2.gz	SYGILBHLEIZYAT-JOCHJYFZSA-N	0	0	449.890	5.276	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1cccc(Cl)c1	ZINC000009969651	569576125	/nfs/dbraw/zinc/57/61/25/569576125.db2.gz	PTPHRRPTKJFIMD-IBGZPJMESA-N	0	0	432.303	5.156	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1C1CCCCC1	ZINC000009983868	569576605	/nfs/dbraw/zinc/57/66/05/569576605.db2.gz	LELCTUIKPVUACS-UHFFFAOYSA-N	0	0	425.385	5.549	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009993292	569576950	/nfs/dbraw/zinc/57/69/50/569576950.db2.gz	LXZOJAMPWCKESK-OAQYLSRUSA-N	0	0	426.497	5.388	50	30		IKEARN
C[C@@H](Sc1nnc(C2CCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000010022527	569577269	/nfs/dbraw/zinc/57/72/69/569577269.db2.gz	TXOUNTYLZDPTCN-CYBMUJFWSA-N	0	0	430.599	5.439	50	30		IKEARN
C=CCn1c(SCC(=O)N(C)[C@H](C)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1	ZINC000010240475	569579749	/nfs/dbraw/zinc/57/97/49/569579749.db2.gz	WFJIPMXVPDBLCP-OAHLLOKOSA-N	0	0	444.963	5.235	50	30		IKEARN
COc1cc([C@@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC	ZINC000010435157	569582178	/nfs/dbraw/zinc/58/21/78/569582178.db2.gz	PCIGBRMWJUUTNV-PSCYQSDVSA-N	0	0	448.544	5.611	50	30		IKEARN
C(=NN=c1[nH]c2ccccc2s1)c1cn(CCCOc2ccccc2)c2ccccc12	ZINC000001839959	569582763	/nfs/dbraw/zinc/58/27/63/569582763.db2.gz	KHXFVHBMLFENTE-YZSQISJMSA-N	0	0	426.545	6.166	50	30		IKEARN
O=[N+]([O-])c1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1Cl	ZINC000012125388	569584180	/nfs/dbraw/zinc/58/41/80/569584180.db2.gz	WBYXWUVOJJARGW-UFWORHAWSA-N	0	0	437.706	5.580	50	30		IKEARN
Cc1ccc(OCCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1	ZINC000001866422	569584306	/nfs/dbraw/zinc/58/43/06/569584306.db2.gz	LMXRLTCMULQZCL-WPWMEQJKSA-N	0	0	440.572	6.475	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)CCC/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000025692681	569587279	/nfs/dbraw/zinc/58/72/79/569587279.db2.gz	FDLQEQJYIXTTDH-DJJIWSAGSA-N	0	0	433.247	6.030	50	30		IKEARN
CCCCCCCCCCCCCCCCN(CCNS(C)(=O)=O)c1ccccc1	ZINC000101015823	569588147	/nfs/dbraw/zinc/58/81/47/569588147.db2.gz	VOFBIYJXGJBCGH-UHFFFAOYSA-N	0	0	438.722	6.524	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C(=S)c1ccccc1)c1ccccc1	ZINC000100970362	569588173	/nfs/dbraw/zinc/58/81/73/569588173.db2.gz	NBMBZISJYCYPKZ-UHFFFAOYSA-N	0	0	437.737	9.350	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c([O-])c1	ZINC000100730671	569588183	/nfs/dbraw/zinc/58/81/83/569588183.db2.gz	CSGHZFMNVVSDIF-UHFFFAOYSA-N	0	0	438.652	8.483	50	30		IKEARN
C=CCn1c(CSc2nc3ccccc3s2)nnc1SC/C=C/c1ccccc1	ZINC000001895701	120690320	/nfs/dbraw/zinc/69/03/20/120690320.db2.gz	NJHGNCNYKLXGRB-DHZHZOJOSA-N	0	0	436.631	6.172	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(OC)cc1	ZINC000030738666	122584905	/nfs/dbraw/zinc/58/49/05/122584905.db2.gz	UAVDEMZBOXQRKS-ZMPCKTLKSA-N	0	0	439.606	5.860	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(F)cc1	ZINC000102148997	123570632	/nfs/dbraw/zinc/57/06/32/123570632.db2.gz	MQPMPYKFHPMQJI-QLNITERQSA-N	0	0	433.961	5.863	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc(C(F)(F)F)c1	ZINC000102148747	123570659	/nfs/dbraw/zinc/57/06/59/123570659.db2.gz	XEPZYMMCFVOVPS-UZLGTQPFSA-N	0	0	449.523	6.090	50	30		IKEARN
Cc1nn(-c2cc(Oc3cc(C)c(Cl)c(C)c3)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000000632477	193864292	/nfs/dbraw/zinc/86/42/92/193864292.db2.gz	SRGLPOQPGOUCAG-UHFFFAOYSA-N	0	0	430.899	5.154	50	30		IKEARN
C[C@@H]1CCc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)c(C#N)cc2C1	ZINC000000688337	132229348	/nfs/dbraw/zinc/22/93/48/132229348.db2.gz	XPSXZBKURPIYAJ-MRXNPFEDSA-N	0	0	443.597	6.000	50	30		IKEARN
CCCc1cc(N2CCN(c3ccccc3Cl)CC2)n2c3ccccc3nc2c1C#N	ZINC000001472974	132245911	/nfs/dbraw/zinc/24/59/11/132245911.db2.gz	FWPALGKVACPFQR-UHFFFAOYSA-N	0	0	429.955	5.292	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCCC2	ZINC000008412920	132281529	/nfs/dbraw/zinc/28/15/29/132281529.db2.gz	SHWVRZVVLCDYJQ-UHFFFAOYSA-N	0	0	443.597	6.144	50	30		IKEARN
Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)cc1	ZINC000008844490	132295893	/nfs/dbraw/zinc/29/58/93/132295893.db2.gz	OMLMSMYXPJLGRK-UHFFFAOYSA-N	0	0	440.503	5.020	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002444650	517339273	/nfs/dbraw/zinc/33/92/73/517339273.db2.gz	SZRDGFJAHOUEQX-UHFFFAOYSA-N	0	0	432.420	7.028	50	30		IKEARN
CC(C)(O)C#Cc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000716580	517401617	/nfs/dbraw/zinc/40/16/17/517401617.db2.gz	VIYNQJJVSTUSIF-UHFFFAOYSA-N	0	0	432.560	5.209	50	30		IKEARN
CCCCCCCC(=O)N[C@H](Sc1nc2ccccc2s1)C(Cl)(Cl)Cl	ZINC000003065898	517554615	/nfs/dbraw/zinc/55/46/15/517554615.db2.gz	XVDBULGDXDEIJG-OAHLLOKOSA-N	0	0	439.861	6.561	50	30		IKEARN
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\S/C(=N\c4ccccc4)NC3=O)o2)c1	ZINC000016194125	518027644	/nfs/dbraw/zinc/02/76/44/518027644.db2.gz	YLAFORKVHYADGE-UNOMPAQXSA-N	0	0	438.892	5.278	50	30		IKEARN
Brc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccc3)n2)cc1	ZINC000008927094	518207888	/nfs/dbraw/zinc/20/78/88/518207888.db2.gz	DODLVKDMATVLFP-PCLIKHOPSA-N	0	0	429.321	6.019	50	30		IKEARN
Brc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3cccnc3)n2)cc1	ZINC000013304965	518207916	/nfs/dbraw/zinc/20/79/16/518207916.db2.gz	BDCSUSLGGSUOBI-MFKUBSTISA-N	0	0	430.309	5.414	50	30		IKEARN
Brc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1	ZINC000008927037	518209281	/nfs/dbraw/zinc/20/92/81/518209281.db2.gz	CYWAKAIZJBYRED-PCLIKHOPSA-N	0	0	429.321	6.019	50	30		IKEARN
C#CCCCCCCCCC(=O)O[C@H]1OCCO[C@@H]1OC(=O)CCCCCCCCC#C	ZINC000006013654	518246712	/nfs/dbraw/zinc/24/67/12/518246712.db2.gz	VIBSGKFRYYRQHJ-CLJLJLNGSA-N	0	0	448.600	5.280	50	30		IKEARN
C#CCCOc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)Cc1ccc(F)cc1)C2	ZINC000012326766	518250717	/nfs/dbraw/zinc/25/07/17/518250717.db2.gz	ARSMZRBTDXBWAZ-UHFFFAOYSA-N	0	0	449.547	5.228	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)C1=O	ZINC000012342680	518264608	/nfs/dbraw/zinc/26/46/08/518264608.db2.gz	IEKMDENAYOCECQ-LICLKQGHSA-N	0	0	448.378	5.075	50	30		IKEARN
CC(=O)c1cc(C)c(C)cc1NC(=O)C(=Nc1ccc(C)c(C)c1)C(=O)c1cccs1	ZINC000020138850	518275543	/nfs/dbraw/zinc/27/55/43/518275543.db2.gz	PSWXQESTVXIHFM-RWEWTDSWSA-N	0	0	432.545	5.778	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000002165135	518316021	/nfs/dbraw/zinc/31/60/21/518316021.db2.gz	GDWZBCGLGZEQML-MHWRWJLKSA-N	0	0	438.719	5.900	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000002164786	518317012	/nfs/dbraw/zinc/31/70/12/518317012.db2.gz	RNZFBYOSZMLDMB-SXGWCWSVSA-N	0	0	438.719	5.900	50	30		IKEARN
C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC	ZINC000046076276	518329206	/nfs/dbraw/zinc/32/92/06/518329206.db2.gz	BXYFSIPWMQVGEK-LJQANCHMSA-N	0	0	433.529	5.309	50	30		IKEARN
C#CCOc1ccc([C@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC	ZINC000021157855	518329879	/nfs/dbraw/zinc/32/98/79/518329879.db2.gz	UTCNMEYWJZABDN-GOSISDBHSA-N	0	0	437.948	5.953	50	30		IKEARN
C#Cc1cccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCCC3)c1	ZINC000012369950	518363226	/nfs/dbraw/zinc/36/32/26/518363226.db2.gz	ZFJUUHDOHLWLQW-UHFFFAOYSA-N	0	0	429.570	5.273	50	30		IKEARN
C(=N/c1ccccc1)\C1=C(c2ccccc2)S[C@@H](c2ccccc2)C(Cc2ccccc2)=C1	ZINC000012376235	518378492	/nfs/dbraw/zinc/37/84/92/518378492.db2.gz	YNKQRWKIVXESQW-WDTGHZBBSA-N	0	0	443.615	8.457	50	30		IKEARN
C/C(=N/OCc1ccc(C)cc1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843454	518457731	/nfs/dbraw/zinc/45/77/31/518457731.db2.gz	LTXABRYQWSVRFB-OFWBYEQRSA-N	0	0	426.535	7.149	50	30		IKEARN
C/C(=N/OCc1cccc(C)c1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2F)c1C	ZINC000035843424	518457752	/nfs/dbraw/zinc/45/77/52/518457752.db2.gz	XCJZOJHUHJDEGQ-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000036026020	518460283	/nfs/dbraw/zinc/46/02/83/518460283.db2.gz	MNOLWTJPNGKKBZ-FXVMGJAWSA-N	0	0	448.364	5.216	50	30		IKEARN
C/C(=N\N=c1\scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1	ZINC000044607947	518461693	/nfs/dbraw/zinc/46/16/93/518461693.db2.gz	MUKOVGSSZRZHGH-LBEGURLNSA-N	0	0	448.935	6.092	50	30		IKEARN
CC(N=Nc1cc(-c2ccccc2)nc(-c2ccccc2)n1)c1ccc(Br)cc1	ZINC000012343301	518463233	/nfs/dbraw/zinc/46/32/33/518463233.db2.gz	KDJZJWFRDXECQO-OGLMXYFKSA-N	0	0	443.348	6.409	50	30		IKEARN
C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1	ZINC000013306064	518470478	/nfs/dbraw/zinc/47/04/78/518470478.db2.gz	AKOOWZMDMWNBHZ-NDZAJKAJSA-N	0	0	435.483	5.865	50	30		IKEARN
C/C(=N\OC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1	ZINC000008454629	518471010	/nfs/dbraw/zinc/47/10/10/518471010.db2.gz	QWWRJVFHVPGQED-NJZRLIGZSA-N	0	0	436.555	7.223	50	30		IKEARN
C=C(C(=O)c1ccccc1)[C@@H](c1ccccc1)[C@H](CN1CCOCC1)C(=O)c1ccccc1	ZINC000013564407	518585843	/nfs/dbraw/zinc/58/58/43/518585843.db2.gz	FYGNZWIUSAWRQA-SVBPBHIXSA-N	0	0	439.555	5.041	50	30		IKEARN
C=C(C)C(=O)N(CC[C@@]1(Cc2ccccc2)CCOC(C)(C)C1)Cc1ccc(N(C)C)cc1	ZINC000009235176	518586824	/nfs/dbraw/zinc/58/68/24/518586824.db2.gz	IDXJTIWZDBAFJH-LJAQVGFWSA-N	0	0	448.651	5.866	50	30		IKEARN
CC(C)(C)C(=O)ON=C(Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl	ZINC000012369977	518592530	/nfs/dbraw/zinc/59/25/30/518592530.db2.gz	OLOYNOSEGWGGPR-UHFFFAOYSA-N	0	0	449.256	6.255	50	30		IKEARN
C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3nc4ccccc4s3)c(=O)oc2c1	ZINC000013607374	518617850	/nfs/dbraw/zinc/61/78/50/518617850.db2.gz	CRQHQYIIKZBRJC-UHFFFAOYSA-N	0	0	434.517	5.237	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002254400	518624660	/nfs/dbraw/zinc/62/46/60/518624660.db2.gz	RAEQNQWAFWENMY-UHFFFAOYSA-N	0	0	444.600	5.944	50	30	biogenic	IKEARN
C=C(C)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2	ZINC000001805261	518625578	/nfs/dbraw/zinc/62/55/78/518625578.db2.gz	DYKIIDUHIXADND-UHFFFAOYSA-N	0	0	428.601	6.244	50	30	biogenic	IKEARN
C=C(C)Cn1c(SCC(=O)c2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3	ZINC000000641508	518640360	/nfs/dbraw/zinc/64/03/60/518640360.db2.gz	CGUIJMJGEITCDX-UHFFFAOYSA-N	0	0	428.554	5.027	50	30		IKEARN
C=C(Cl)COc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2cccc(F)c2)cc1	ZINC000012243410	518650545	/nfs/dbraw/zinc/65/05/45/518650545.db2.gz	CPUSWMHVHOVEAO-FMIVXFBMSA-N	0	0	436.914	5.594	50	30		IKEARN
C=C1[C@@H](C(=O)Nc2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000013304927	518667207	/nfs/dbraw/zinc/66/72/07/518667207.db2.gz	CRZLCZVPGSGGGD-VSGBNLITSA-N	0	0	444.534	6.400	50	30		IKEARN
C=CC(=O)OCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103548157	518682672	/nfs/dbraw/zinc/68/26/72/518682672.db2.gz	UOJGGAYAADUVAH-UHFFFAOYSA-N	0	0	446.203	5.625	50	30		IKEARN
C=CCCC(=O)N1CCC(c2cn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)CC1	ZINC000023331030	518692917	/nfs/dbraw/zinc/69/29/17/518692917.db2.gz	PMEAHJMNNKABIM-UHFFFAOYSA-N	0	0	440.509	6.381	50	30		IKEARN
C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCCCO2)C1	ZINC000012327399	518694463	/nfs/dbraw/zinc/69/44/63/518694463.db2.gz	CEPHYRMQGZVQQA-NRFANRHFSA-N	0	0	441.593	5.359	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)o1	ZINC000036203030	518697541	/nfs/dbraw/zinc/69/75/41/518697541.db2.gz	AQDKFJAETBTABE-QHCPKHFHSA-N	0	0	427.560	5.720	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@@H]2CCCO2)o1	ZINC000036203351	518697810	/nfs/dbraw/zinc/69/78/10/518697810.db2.gz	OKNNNLKYXQKWDU-DEOSSOPVSA-N	0	0	439.596	5.589	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(OC)c2)C[C@H]2CCCO2)o1	ZINC000036203356	518698320	/nfs/dbraw/zinc/69/83/20/518698320.db2.gz	OKNNNLKYXQKWDU-XMMPIXPASA-N	0	0	439.596	5.589	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)o1	ZINC000036203034	518698651	/nfs/dbraw/zinc/69/86/51/518698651.db2.gz	AQDKFJAETBTABE-HSZRJFAPSA-N	0	0	427.560	5.720	50	30		IKEARN
C=CCCCCCCCCC(=O)Nc1cccc(NC(=O)CCCCCCCCC=C)n1	ZINC000004631052	518699735	/nfs/dbraw/zinc/69/97/35/518699735.db2.gz	LJAPGEFYDLJXSO-UHFFFAOYSA-N	0	0	441.660	7.572	50	30		IKEARN
C=CCC[C@H](O)CN(CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(C)cc1	ZINC000036346152	518723714	/nfs/dbraw/zinc/72/37/14/518723714.db2.gz	GJUPBECMBSSCDT-DEOSSOPVSA-N	0	0	449.595	5.057	50	30		IKEARN
C=CCN(C(=O)Cn1c2cnccc2nc1SCc1cccc(C)c1)c1ccccc1	ZINC000008913004	518735908	/nfs/dbraw/zinc/73/59/08/518735908.db2.gz	YROMJWWVTPYXLJ-UHFFFAOYSA-N	0	0	428.561	5.251	50	30		IKEARN
C=CCN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)c1nc(-c2ccccc2)cs1	ZINC000012807741	518738908	/nfs/dbraw/zinc/73/89/08/518738908.db2.gz	PCEZKOHCESRDIX-UHFFFAOYSA-N	0	0	437.952	5.423	50	30		IKEARN
C=CCN(C(=O)c1ccnc(Cl)c1)c1nc(-c2ccc(OC)c3ccccc23)cs1	ZINC000021711084	518740626	/nfs/dbraw/zinc/74/06/26/518740626.db2.gz	KPLWBVISLBZMMC-UHFFFAOYSA-N	0	0	435.936	5.853	50	30		IKEARN
C=CCN(CC(=O)N(Cc1ccc(C)s1)Cc1ccc(F)cc1)C(=O)CC(C)(C)C	ZINC000004806922	518746360	/nfs/dbraw/zinc/74/63/60/518746360.db2.gz	CQFIZFFEMRHTBS-UHFFFAOYSA-N	0	0	430.589	5.175	50	30		IKEARN
C=CCN(CC(=O)Nc1nc(-c2ccc(C)cc2)cn1-c1ccc(C)cc1)C(=O)CC(C)C	ZINC000036051364	518757816	/nfs/dbraw/zinc/75/78/16/518757816.db2.gz	BYDFHLKSDOKLBR-UHFFFAOYSA-N	0	0	444.579	5.155	50	30		IKEARN
C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000012343633	518768650	/nfs/dbraw/zinc/76/86/50/518768650.db2.gz	PGPVNRYRWRGYOP-UHFFFAOYSA-N	0	0	436.584	6.335	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)Cc1nc(=O)c2c(-c3ccc(F)cc3)csc2[nH]1	ZINC000020682028	518781565	/nfs/dbraw/zinc/78/15/65/518781565.db2.gz	GMEIOKPZGFNWQK-UHFFFAOYSA-N	0	0	445.972	5.694	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)Cc1nnc(-c2c(C)onc2-c2ccccc2)o1	ZINC000013128518	518782026	/nfs/dbraw/zinc/78/20/26/518782026.db2.gz	LLPLJNAKELZIQX-UHFFFAOYSA-N	0	0	426.929	5.603	50	30		IKEARN
C=CCN(Cc1csc(COc2ccc(C)c(C)c2)n1)C(=O)c1ccc(Cl)cc1	ZINC000036107098	518794997	/nfs/dbraw/zinc/79/49/97/518794997.db2.gz	SFHOQOMLQIBURP-UHFFFAOYSA-N	0	0	426.969	5.821	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Oc2cc(C(C)C)ccc2C)c1	ZINC000013109514	518818448	/nfs/dbraw/zinc/81/84/48/518818448.db2.gz	WIOJIPKSNHBZDF-UHFFFAOYSA-N	0	0	449.572	5.719	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(CCCC)cc2)c1	ZINC000012681928	518819751	/nfs/dbraw/zinc/81/97/51/518819751.db2.gz	JMVHJJVMOUXRJC-UHFFFAOYSA-N	0	0	448.588	5.663	50	30		IKEARN
C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@H](C)CC)cc2)CC1=O	ZINC000004910491	518872364	/nfs/dbraw/zinc/87/23/64/518872364.db2.gz	JFCBJJQXBQGVQF-IFMALSPDSA-N	0	0	431.580	5.521	50	30		IKEARN
C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)Nc2cccc(C)c2)cc1	ZINC000037557885	518902900	/nfs/dbraw/zinc/90/29/00/518902900.db2.gz	HCIWZUUMMAIKMS-UHFFFAOYSA-N	0	0	427.548	5.387	50	30		IKEARN
C=CCNC(=O)[C@H](C)N1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095137	518923895	/nfs/dbraw/zinc/92/38/95/518923895.db2.gz	CUNYULOBYNDRQS-UZTOHYMASA-N	0	0	449.554	5.379	50	30		IKEARN
C=CCNc1oc(Cc2cccc3ccccc32)nc1P(=O)(OCCC)OCCC	ZINC000080345690	518967434	/nfs/dbraw/zinc/96/74/34/518967434.db2.gz	GKKGPBOOPVZUSH-UHFFFAOYSA-N	0	0	428.469	5.688	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@H]1c1ccccc1Cl	ZINC000037280084	518969184	/nfs/dbraw/zinc/96/91/84/518969184.db2.gz	BVGPGOCUWCICKK-IBGZPJMESA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccccc1Cl	ZINC000037280138	518969329	/nfs/dbraw/zinc/96/93/29/518969329.db2.gz	BXVCNSLZTHRPOM-IBGZPJMESA-N	0	0	430.331	5.513	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cc(F)cc(F)c2)C(=O)C[C@@H]1c1ccccc1Cl	ZINC000037280086	518969486	/nfs/dbraw/zinc/96/94/86/518969486.db2.gz	BVGPGOCUWCICKK-LJQANCHMSA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@@H]1c1ccc(Cl)cc1	ZINC000037577364	518969728	/nfs/dbraw/zinc/96/97/28/518969728.db2.gz	BSECAYXAXSLNAE-GOSISDBHSA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(-c3ccc(Cl)cc3)nn2[C@@H]1c1ccc(CC)cc1	ZINC000013129737	518972690	/nfs/dbraw/zinc/97/26/90/518972690.db2.gz	HVKKWIJYLWSTAL-OAQYLSRUSA-N	0	0	434.927	5.179	50	30		IKEARN
CC(C)(C)c1cc([C@H]2c3c(=O)[nH][nH]c3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O	ZINC000018200387	519006386	/nfs/dbraw/zinc/00/63/86/519006386.db2.gz	SSCBFLWVNGUNQZ-GOSISDBHSA-N	0	0	437.584	5.617	50	30		IKEARN
CC(C)(C)c1cc2nc(C(F)(F)F)cc(NN=Cc3ccc(C(F)(F)F)cc3)n2n1	ZINC000012367279	519007170	/nfs/dbraw/zinc/00/71/70/519007170.db2.gz	ZSPXTAKRORRFEA-NSKAYECMSA-N	0	0	429.368	5.510	50	30		IKEARN
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C)C2=O)c(C)c1	ZINC000033364095	519008722	/nfs/dbraw/zinc/00/87/22/519008722.db2.gz	OXBUWOPINDVTJF-KGENOOAVSA-N	0	0	447.585	5.244	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000009296685	519015276	/nfs/dbraw/zinc/01/52/76/519015276.db2.gz	WFPCETNNZLDDSG-VCHYOVAHSA-N	0	0	436.316	5.808	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000036352197	519029595	/nfs/dbraw/zinc/02/95/95/519029595.db2.gz	WOTSSRIGUXFNKR-NOZRDPDXSA-N	0	0	427.460	5.402	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OCCC)cc2)cc1	ZINC000012194206	519029707	/nfs/dbraw/zinc/02/97/07/519029707.db2.gz	XDMYLYYKULHGBB-IAPPQJPRSA-N	0	0	440.543	6.283	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1	ZINC000008817388	519030236	/nfs/dbraw/zinc/03/02/36/519030236.db2.gz	FJEKASOJDJPVBY-HOFKKMOUSA-N	0	0	442.515	5.511	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1	ZINC000012194217	519030315	/nfs/dbraw/zinc/03/03/15/519030315.db2.gz	GWNCCVGLRPMTRM-IXCJQBJRSA-N	0	0	440.543	6.281	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000229885030	519030661	/nfs/dbraw/zinc/03/06/61/519030661.db2.gz	WOTSSRIGUXFNKR-ZCYQVOJMSA-N	0	0	427.460	5.402	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1	ZINC000001413009	519049241	/nfs/dbraw/zinc/04/92/41/519049241.db2.gz	MJCMKTPAJJWGSN-WXTAPIANSA-N	0	0	428.601	7.025	50	30		IKEARN
C=CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1	ZINC000001748327	519050118	/nfs/dbraw/zinc/05/01/18/519050118.db2.gz	NABRQIGCPCLNDL-UHFFFAOYSA-N	0	0	438.401	6.836	50	30		IKEARN
CC(C)(C)c1ccccc1NC(=NS(=O)(=O)c1cc(F)ccc1F)c1ccccc1	ZINC000012603702	519055296	/nfs/dbraw/zinc/05/52/96/519055296.db2.gz	FPQLLCUBDVCPCI-UHFFFAOYSA-N	0	0	428.504	5.510	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCCc1ccccc1)n2Cc1cccc(Cl)c1	ZINC000035908446	519064348	/nfs/dbraw/zinc/06/43/48/519064348.db2.gz	WGMKQHUYAQIECG-UHFFFAOYSA-N	0	0	444.962	5.880	50	30		IKEARN
C=CCSc1ccccc1NC(=O)Cn1cnc2sc(-c3ccccc3)c(C)c2c1=O	ZINC000012733496	519078641	/nfs/dbraw/zinc/07/86/41/519078641.db2.gz	OERJBRHKDATMFR-UHFFFAOYSA-N	0	0	447.585	5.350	50	30		IKEARN
C=CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1	ZINC000044088241	519082932	/nfs/dbraw/zinc/08/29/32/519082932.db2.gz	LAAKVMHMNRIVIJ-UHFFFAOYSA-N	0	0	427.303	6.726	50	30		IKEARN
C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCc1ccc(OC)c(OC)c1	ZINC000012421721	519123211	/nfs/dbraw/zinc/12/32/11/519123211.db2.gz	WGKRSLSLNOHHLA-UHFFFAOYSA-N	0	0	428.536	5.105	50	30		IKEARN
C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccc(F)cc1	ZINC000002123439	519130018	/nfs/dbraw/zinc/13/00/18/519130018.db2.gz	KCGKFNDIPRRWLW-UHFFFAOYSA-N	0	0	428.459	5.604	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1Cl	ZINC000022109434	519151144	/nfs/dbraw/zinc/15/11/44/519151144.db2.gz	SFFRKNZZMKEFCL-BZZOAKBMSA-N	0	0	435.936	6.134	50	30		IKEARN
C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)c1ccc(F)cc1	ZINC000001895939	519158760	/nfs/dbraw/zinc/15/87/60/519158760.db2.gz	VYZQSNXIIGFYDM-UHFFFAOYSA-N	0	0	436.533	5.425	50	30		IKEARN
C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCc1nnsc1Cl	ZINC000021665316	519159483	/nfs/dbraw/zinc/15/94/83/519159483.db2.gz	SXOJOGSXASEZQE-UHFFFAOYSA-N	0	0	432.983	5.108	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc(Br)c1)CCCC3	ZINC000002391738	519159717	/nfs/dbraw/zinc/15/97/17/519159717.db2.gz	IVJIBRJZSCEGOD-UHFFFAOYSA-N	0	0	447.423	5.578	50	30		IKEARN
C=CCn1c(=S)n(C2c3ccccc3Oc3ccccc32)nc1-c1ccccc1Cl	ZINC000012363682	519166040	/nfs/dbraw/zinc/16/60/40/519166040.db2.gz	BSGYEPGONQURTC-UHFFFAOYSA-N	0	0	431.948	6.664	50	30		IKEARN
C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1cccc(C)c1	ZINC000000672997	519186648	/nfs/dbraw/zinc/18/66/48/519186648.db2.gz	AHISMWKYQQHRCZ-UHFFFAOYSA-N	0	0	444.560	5.236	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1SC/C(=C\C(=O)C(C)(C)C)C(C)(C)C	ZINC000097171032	519189298	/nfs/dbraw/zinc/18/92/98/519189298.db2.gz	OTKWGKUNSANVAC-SAPNQHFASA-N	0	0	445.604	5.862	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1cccc(Cl)c1	ZINC000013805723	519218519	/nfs/dbraw/zinc/21/85/19/519218519.db2.gz	LIROWGCGBPQLRG-INIZCTEOSA-N	0	0	441.000	6.029	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cccc(C)c1	ZINC000009261014	519220642	/nfs/dbraw/zinc/22/06/42/519220642.db2.gz	NPYDWDODNYNBBU-UHFFFAOYSA-N	0	0	432.471	5.189	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(Cl)cc1	ZINC000002445070	519223580	/nfs/dbraw/zinc/22/35/80/519223580.db2.gz	AZWRTKBGQRMNEH-UHFFFAOYSA-N	0	0	441.000	5.813	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1Cl	ZINC000002450882	519223659	/nfs/dbraw/zinc/22/36/59/519223659.db2.gz	KVAMWUXPNXHOBV-UHFFFAOYSA-N	0	0	441.000	5.813	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2sc(C)c(C)c2c1=O	ZINC000002415275	519224402	/nfs/dbraw/zinc/22/44/02/519224402.db2.gz	KLFATNGMPQZPJO-UHFFFAOYSA-N	0	0	427.595	5.115	50	30		IKEARN
C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@@H](C)C2	ZINC000017098719	519236707	/nfs/dbraw/zinc/23/67/07/519236707.db2.gz	HHPYCBDJNVOXNL-CYBMUJFWSA-N	0	0	434.005	6.402	50	30		IKEARN
C=CCn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccc(Br)c1	ZINC000002342503	519245109	/nfs/dbraw/zinc/24/51/09/519245109.db2.gz	RLQXUASKEYVZPV-UHFFFAOYSA-N	0	0	431.315	5.094	50	30		IKEARN
C=CCn1c(S[C@H](C(=O)N(CC)CC)c2ccccc2)nnc1-c1ccc(Cl)cc1	ZINC000009669845	519254770	/nfs/dbraw/zinc/25/47/70/519254770.db2.gz	NFKAFHCXWRFVRF-FQEVSTJZSA-N	0	0	441.000	5.486	50	30		IKEARN
C=CCn1c(Sc2c(=O)[nH]c3ccccc3c2-c2ccccc2)nnc1-c1ccoc1C	ZINC000012763332	519259626	/nfs/dbraw/zinc/25/96/26/519259626.db2.gz	MDVWETAEEJFPAY-UHFFFAOYSA-N	0	0	440.528	5.692	50	30		IKEARN
C=CCn1c(S[C@H]2CCOC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21	ZINC000013114665	519259987	/nfs/dbraw/zinc/25/99/87/519259987.db2.gz	AQSTVXBZIBSFNU-QFIPXVFZSA-N	0	0	442.544	5.062	50	30		IKEARN
C=CCn1c2ccc(NC(=O)c3c(C)onc3-c3ccccc3Cl)cc2sc1=O	ZINC000064473033	519262268	/nfs/dbraw/zinc/26/22/68/519262268.db2.gz	UJPDNMAUIKMKGT-UHFFFAOYSA-N	0	0	425.897	5.118	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cccc(OC)c3OC(F)F)c12	ZINC000012681212	519266030	/nfs/dbraw/zinc/26/60/30/519266030.db2.gz	RNWBLEPZCCOALG-OUKQBFOZSA-N	0	0	437.446	5.290	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3ccc(OC)c(OC(F)F)c3)c12	ZINC000012681217	519266076	/nfs/dbraw/zinc/26/60/76/519266076.db2.gz	DMEYBTALIQWGEF-PKNBQFBNSA-N	0	0	437.446	5.290	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OCC)c3)c12	ZINC000012682923	519266247	/nfs/dbraw/zinc/26/62/47/519266247.db2.gz	NTSBTSRKQZNXBO-VAWYXSNFSA-N	0	0	449.938	5.740	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3c(C)nn(CC(C)C)c3Cl)c12	ZINC000012682936	519266488	/nfs/dbraw/zinc/26/64/88/519266488.db2.gz	VBXQUIUFBWOYQF-VAWYXSNFSA-N	0	0	435.959	5.494	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cccc(OC)c3OC(F)F)c12	ZINC000096925846	519267149	/nfs/dbraw/zinc/26/71/49/519267149.db2.gz	RNWBLEPZCCOALG-SEYXRHQNSA-N	0	0	437.446	5.290	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000002752753	519370668	/nfs/dbraw/zinc/37/06/68/519370668.db2.gz	WHMZWEKRMVITAW-NRFANRHFSA-N	0	0	443.355	5.773	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccco1	ZINC000012381903	519477300	/nfs/dbraw/zinc/47/73/00/519477300.db2.gz	QMJDXUNAWVEDGN-BCHFMIIMSA-N	0	0	426.516	5.836	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1	ZINC000008818436	519584229	/nfs/dbraw/zinc/58/42/29/519584229.db2.gz	KBIPPHDYJJXYAY-MHZLTWQESA-N	0	0	445.607	5.942	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(Cl)cccc1Cl	ZINC000000997878	519640421	/nfs/dbraw/zinc/64/04/21/519640421.db2.gz	VGODSZIIWZSODU-JOCHJYFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257350705	519645906	/nfs/dbraw/zinc/64/59/06/519645906.db2.gz	ZJFYDPFCQFKJHC-UGYLRBLDSA-N	0	0	430.677	7.740	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000257347669	519756931	/nfs/dbraw/zinc/75/69/31/519756931.db2.gz	PMBSWZWCNKVWLV-GYYYIBEDSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1C=C2C(=O)C[C@@H]3[C@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1	ZINC000257348655	519757146	/nfs/dbraw/zinc/75/71/46/519757146.db2.gz	HTZDJVPKUOXQMG-HXXWEPEYSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12	ZINC000257348676	519757379	/nfs/dbraw/zinc/75/73/79/519757379.db2.gz	HXUGNDVVHVLCAY-SCZCOUFESA-N	0	0	442.684	7.139	50	30		IKEARN
CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000000815808	519759425	/nfs/dbraw/zinc/75/94/25/519759425.db2.gz	TZUWKRAYJMAJJN-NSYGIPOTSA-N	0	0	430.529	5.653	50	30		IKEARN
CC(=O)Sc1ccc(C#Cc2ccc(C#Cc3ccc(SC(C)=O)cc3)cc2)cc1	ZINC000042784430	519760155	/nfs/dbraw/zinc/76/01/55/519760155.db2.gz	HTBKJDXAIPKGEY-UHFFFAOYSA-N	0	0	426.562	5.763	50	30		IKEARN
CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000013568679	519782023	/nfs/dbraw/zinc/78/20/23/519782023.db2.gz	YSNMAQAFVVBILW-HFJWLAOPSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1n[nH]c(C(F)(F)F)n1	ZINC000012736728	519799835	/nfs/dbraw/zinc/79/98/35/519799835.db2.gz	QFYBVQLVAZZPEV-SNVBAGLBSA-N	0	0	429.752	5.220	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000102607560	519840144	/nfs/dbraw/zinc/84/01/44/519840144.db2.gz	KKJNQEZOLFNTKR-MOBKVPTQSA-N	0	0	435.907	5.678	50	30		IKEARN
CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009805292	519840402	/nfs/dbraw/zinc/84/04/02/519840402.db2.gz	ZWOYZOAVXBSZMW-SLGOVJDISA-N	0	0	444.578	7.425	50	30		IKEARN
CCCC(NCCc1c(C)[nH]c2ccc(OC)cc21)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000100140057	519884859	/nfs/dbraw/zinc/88/48/59/519884859.db2.gz	JTYYNFYPFRLSLG-UHFFFAOYSA-N	0	0	444.575	5.387	50	30		IKEARN
CCCC(Nc1ccc(NC(CCC)=C2C(=O)CCCC2=O)cc1)=C1C(=O)CCCC1=O	ZINC000000721597	519884894	/nfs/dbraw/zinc/88/48/94/519884894.db2.gz	KIMBWDXRGYKAHW-UHFFFAOYSA-N	0	0	436.552	5.263	50	30		IKEARN
CCCCCCCC(=O)Nc1ccccc1[C@H]1SCC(=O)N1c1ccccc1OC	ZINC000098021303	519966430	/nfs/dbraw/zinc/96/64/30/519966430.db2.gz	LGSJAVJNBHTZMX-XMMPIXPASA-N	0	0	426.582	5.773	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1	ZINC000060272634	519968670	/nfs/dbraw/zinc/96/86/70/519968670.db2.gz	KIZIRRWZTGNUCT-KTKRTIGZSA-N	0	0	439.644	6.891	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=N)S1	ZINC000097958846	519970232	/nfs/dbraw/zinc/97/02/32/519970232.db2.gz	WZZYFYYJSCDNGW-NLPPSYTOSA-N	0	0	438.528	6.065	50	30		IKEARN
CCCCCCCCC(=O)N[C@H](NC(=S)Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000101022342	519973883	/nfs/dbraw/zinc/97/38/83/519973883.db2.gz	GEVYEZSWYNSSOX-MRXNPFEDSA-N	0	0	438.852	5.536	50	30		IKEARN
CCCCCCCCCCCC(=O)N1CCC2(CC1)Nc1ccc(Cl)cc1C(=O)N2	ZINC000102999847	519981104	/nfs/dbraw/zinc/98/11/04/519981104.db2.gz	AQUSAPZXNLOPGB-UHFFFAOYSA-N	0	0	434.024	5.735	50	30		IKEARN
CCCCCCCCCCCCC=C=CC(=O)[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C	ZINC000049881746	519985828	/nfs/dbraw/zinc/98/58/28/519985828.db2.gz	YGBSGZPIDCXNEH-QFIPXVFZSA-N	0	0	435.649	6.632	50	30	in-vitro	IKEARN
CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@@H]1CCCO1	ZINC000103000666	519988314	/nfs/dbraw/zinc/98/83/14/519988314.db2.gz	CLZPIKHJUYLPIC-NRFANRHFSA-N	0	0	435.609	5.322	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N[C@H](NC(C)(C)C)C(Cl)(Cl)Cl	ZINC000097976977	519988529	/nfs/dbraw/zinc/98/85/29/519988529.db2.gz	DZKDTGRLPNLYGZ-GOSISDBHSA-N	0	0	429.904	6.888	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)OC[C@]1(CO)CCCO1	ZINC000101020998	519994559	/nfs/dbraw/zinc/99/45/59/519994559.db2.gz	NNCZMROTQMDGEM-RUZDIDTESA-N	0	0	427.670	6.516	50	30		IKEARN
CCCCCCCCCCCCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC	ZINC000101019862	519995091	/nfs/dbraw/zinc/99/50/91/519995091.db2.gz	WKXSSRZTIIVWPN-UHFFFAOYSA-N	0	0	440.709	8.161	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Cl)cc1C	ZINC000100856185	519995215	/nfs/dbraw/zinc/99/52/15/519995215.db2.gz	KCJYGMRJLFKITG-UHFFFAOYSA-N	0	0	437.112	9.031	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSCCNC(=O)c1cccnc1	ZINC000033353745	519996652	/nfs/dbraw/zinc/99/66/52/519996652.db2.gz	MDCWCMBOZLCTFU-UHFFFAOYSA-N	0	0	434.734	7.806	50	30		IKEARN
CCCCCCCCCCCCCCCCCCn1c2ccccc2nc1-c1ccccc1	ZINC000008440028	519997392	/nfs/dbraw/zinc/99/73/92/519997392.db2.gz	KFBOERZAXRBGNF-UHFFFAOYSA-N	0	0	446.723	9.965	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000101014130	520000767	/nfs/dbraw/zinc/00/07/67/520000767.db2.gz	XJFPDMABFJZFNK-UHFFFAOYSA-N	0	0	435.501	8.248	50	30		IKEARN
CCCCCCCCCCCCCCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000082034531	520001003	/nfs/dbraw/zinc/00/10/03/520001003.db2.gz	IRLRPTGJQBWBNF-UHFFFAOYSA-N	0	0	426.623	6.354	50	30		IKEARN
CCCCCCCCCCCCN(CCCCCCCCCCCC)c1ccccc1	ZINC000059069601	520007171	/nfs/dbraw/zinc/00/71/71/520007171.db2.gz	XJEPUDKDCKLTSL-UHFFFAOYSA-N	0	0	429.777	10.335	50	30		IKEARN
CCCCCCCCCCCNc1c(CCC(C)C)c(C)c(C#N)c2nc3ccccc3n21	ZINC000096021484	520015824	/nfs/dbraw/zinc/01/58/24/520015824.db2.gz	PYWUVRLJASWXKI-UHFFFAOYSA-N	0	0	446.683	8.199	50	30		IKEARN
CCCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1	ZINC000100867996	520021315	/nfs/dbraw/zinc/02/13/15/520021315.db2.gz	PJJHGXVGZRWLMN-FFTVJWTNSA-N	0	0	449.635	7.681	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc21	ZINC000102818156	520028938	/nfs/dbraw/zinc/02/89/38/520028938.db2.gz	RFXOYVOTMQHIJV-UHFFFAOYSA-N	0	0	448.542	6.202	50	30		IKEARN
CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccc(O)cc31)O2	ZINC000002049078	520034072	/nfs/dbraw/zinc/03/40/72/520034072.db2.gz	ROWVTODRWLDREG-GDLZYMKVSA-N	0	0	442.603	7.495	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(Br)c1	ZINC000101284695	520039463	/nfs/dbraw/zinc/03/94/63/520039463.db2.gz	XVOQWIZSIDMNCI-LJQANCHMSA-N	0	0	447.377	5.233	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1	ZINC000100856768	520043032	/nfs/dbraw/zinc/04/30/32/520043032.db2.gz	CTJRALVEOGVEIZ-NKFKGCMQSA-N	0	0	439.646	7.140	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\C=C(c3ccc(OC)c(OC)c3)OC2=O)cc1	ZINC000102660522	520043629	/nfs/dbraw/zinc/04/36/29/520043629.db2.gz	MVTQGERUFVZPPG-OQKWZONESA-N	0	0	436.548	6.424	50	30		IKEARN
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000059314295	520047495	/nfs/dbraw/zinc/04/74/95/520047495.db2.gz	RSYAEGYTIQGKTB-KBSFFUMNSA-N	0	0	428.701	8.248	50	30	biogenic	IKEARN
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@@H]3CC[C@]12C	ZINC000253499438	520047636	/nfs/dbraw/zinc/04/76/36/520047636.db2.gz	HDTQUHRXMVKWMI-MFAAEJLFSA-N	0	0	442.728	8.638	50	30	biogenic	IKEARN
CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(OC)c(OC)c(OC)c1	ZINC000050861920	520055255	/nfs/dbraw/zinc/05/52/55/520055255.db2.gz	ZJMZSABSTULIFS-UHFFFAOYSA-N	0	0	439.556	5.060	50	30		IKEARN
CCCCCCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccc(OC)c(OC)c1)C2	ZINC000097940012	520061628	/nfs/dbraw/zinc/06/16/28/520061628.db2.gz	ILOLDPMFRNCBBN-SFHVURJKSA-N	0	0	427.541	5.380	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc21	ZINC000002397188	520061758	/nfs/dbraw/zinc/06/17/58/520061758.db2.gz	FJLTYBUYHCNVMU-UHFFFAOYSA-N	0	0	430.552	5.900	50	30		IKEARN
CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@H](C(C)(C)C)C3	ZINC000002294992	520065495	/nfs/dbraw/zinc/06/54/95/520065495.db2.gz	PVAUJKCPEHMIQR-HNNXBMFYSA-N	0	0	446.686	5.856	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCCCC3	ZINC000002274702	520065530	/nfs/dbraw/zinc/06/55/30/520065530.db2.gz	WKLMCIKLHYAYLD-UHFFFAOYSA-N	0	0	440.678	7.087	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccccc2F)c1=O	ZINC000002323804	520071230	/nfs/dbraw/zinc/07/12/30/520071230.db2.gz	MCGGZVPZMLZSIY-UHFFFAOYSA-N	0	0	429.499	5.393	50	30		IKEARN
CCCCCCCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(C)cc2)c1=O	ZINC000097954152	520072601	/nfs/dbraw/zinc/07/26/01/520072601.db2.gz	IHSMSDRGLSGLOW-UHFFFAOYSA-N	0	0	439.563	5.871	50	30		IKEARN
CCCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019817880	520105041	/nfs/dbraw/zinc/10/50/41/520105041.db2.gz	UTQVSJHJECLOEL-UHFFFAOYSA-N	0	0	449.635	6.619	50	30		IKEARN
CCCCCCSc1nc(N)c(C#N)c(-c2ccc(OCc3ccccc3)cc2)c1C#N	ZINC000021630106	520108844	/nfs/dbraw/zinc/10/88/44/520108844.db2.gz	DTPLSLFQMLZDGV-UHFFFAOYSA-N	0	0	442.588	6.326	50	30		IKEARN
CC/C(=N\NS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)c1ccc(Br)s1	ZINC000019637869	520179387	/nfs/dbraw/zinc/17/93/87/520179387.db2.gz	WDYCRLQOBALNSB-HMMYKYKNSA-N	0	0	443.432	5.145	50	30		IKEARN
CC/C(=N\Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(-c2ccccc2F)cc1	ZINC000012369202	520180174	/nfs/dbraw/zinc/18/01/74/520180174.db2.gz	IMPZROPIJDTEAI-ZXVVBBHZSA-N	0	0	432.373	6.613	50	30		IKEARN
CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C(=O)N1CC	ZINC000012402013	520206168	/nfs/dbraw/zinc/20/61/68/520206168.db2.gz	FXLCHAHQBTVRRJ-LISDSOCTSA-N	0	0	444.984	5.630	50	30		IKEARN
CCCCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCCC)cc3)C2=O)cc1	ZINC000008454836	520247711	/nfs/dbraw/zinc/24/77/11/520247711.db2.gz	FETMZSSJZUELET-GEECTANVSA-N	0	0	446.631	8.045	50	30		IKEARN
CCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)cc1	ZINC000002390663	520249938	/nfs/dbraw/zinc/24/99/38/520249938.db2.gz	PTRPJJTZUCKBIM-YDZHTSKRSA-N	0	0	435.380	5.992	50	30		IKEARN
CC1(C)CC(=O)C([C@@H]2c3cc(Br)ccc3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1	ZINC000001097788	520252170	/nfs/dbraw/zinc/25/21/70/520252170.db2.gz	KKGFFQSFDZJSEK-IBGZPJMESA-N	0	0	445.353	5.770	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cc(Br)ccc1O	ZINC000059387306	520257709	/nfs/dbraw/zinc/25/77/09/520257709.db2.gz	HGQREQVFYITSMS-UHFFFAOYSA-N	0	0	444.369	5.128	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1	ZINC000019537723	520258190	/nfs/dbraw/zinc/25/81/90/520258190.db2.gz	IQQGVXGHPFVZJJ-UHFFFAOYSA-N	0	0	428.370	5.422	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1cc(Cl)cc2c1OCOC2	ZINC000000718334	520259473	/nfs/dbraw/zinc/25/94/73/520259473.db2.gz	ABUMMQZPAAXTEC-XMMPIXPASA-N	0	0	445.946	6.560	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012856901	520259967	/nfs/dbraw/zinc/25/99/67/520259967.db2.gz	PYHDSFIVPNGLHK-HXUWFJFHSA-N	0	0	432.307	6.124	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccccc4)nn3[C@@H]2c2ccc(Br)cc2)C1	ZINC000021658674	520260490	/nfs/dbraw/zinc/26/04/90/520260490.db2.gz	QOFOVDHFAAHVSP-HSZRJFAPSA-N	0	0	448.364	5.971	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccc(F)cc1	ZINC000009044078	520260553	/nfs/dbraw/zinc/26/05/53/520260553.db2.gz	GXCUYFSLMHNBHP-FQEVSTJZSA-N	0	0	432.417	5.531	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc(Cl)cc4)nn3[C@@H]2c2ccc(Cl)cc2)C1	ZINC000021658642	520260650	/nfs/dbraw/zinc/26/06/50/520260650.db2.gz	MLWIDVCSXXXLDW-HSZRJFAPSA-N	0	0	438.358	6.515	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc3c(cc1[C@H]2c1ccc(Br)s1)OCO3	ZINC000012349569	520260719	/nfs/dbraw/zinc/26/07/19/520260719.db2.gz	NTBFWGIIHHNSGF-SFHVURJKSA-N	0	0	432.339	5.440	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC[C@@H]1CCCO1)[C@@H]2c1ccccc1	ZINC000021722103	520262107	/nfs/dbraw/zinc/26/21/07/520262107.db2.gz	CTZAQFNJTNQTIO-UQBPGWFLSA-N	0	0	445.563	5.192	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1ccccn1	ZINC000012384441	520262230	/nfs/dbraw/zinc/26/22/30/520262230.db2.gz	NLCMJXJYNAJVLZ-HHHXNRCGSA-N	0	0	437.543	5.467	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(F)cc1)[C@@H]2c1ccco1	ZINC000021722421	520262366	/nfs/dbraw/zinc/26/23/66/520262366.db2.gz	YNGBYQYKMGEOMO-XMMPIXPASA-N	0	0	430.479	5.876	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1cccs1	ZINC000021722260	520263046	/nfs/dbraw/zinc/26/30/46/520263046.db2.gz	DDNHFMGKKCPSLG-HSZRJFAPSA-N	0	0	435.593	6.017	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4Cl)nn3[C@H]2c2ccccc2[N+](=O)[O-])C1	ZINC000000944337	520265730	/nfs/dbraw/zinc/26/57/30/520265730.db2.gz	OOGZKDFCRIKQLE-FQEVSTJZSA-N	0	0	449.898	5.165	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000669790	520265915	/nfs/dbraw/zinc/26/59/15/520265915.db2.gz	TYJRQKLPFPQHDD-DEOSSOPVSA-N	0	0	429.476	6.077	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@@H]2c2ccc(Br)cc2)C1	ZINC000004199855	520265929	/nfs/dbraw/zinc/26/59/29/520265929.db2.gz	IMDVVBCBLQUCTH-HXUWFJFHSA-N	0	0	449.352	5.366	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(S(=O)(=O)c1ccccc1)[C@H]2c1ccco1	ZINC000021722797	520266195	/nfs/dbraw/zinc/26/61/95/520266195.db2.gz	HGFWPISOQPDINR-DEOSSOPVSA-N	0	0	448.544	5.285	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1	ZINC000012406651	520266474	/nfs/dbraw/zinc/26/64/74/520266474.db2.gz	PKBRESAPLDCYQM-JWQCQUIFSA-N	0	0	440.499	5.765	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(Br)cc1	ZINC000002030035	520269868	/nfs/dbraw/zinc/26/98/68/520269868.db2.gz	QAWOXEBCEZIUIC-XMMPIXPASA-N	0	0	432.361	6.912	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@H]2c1ccccc1	ZINC000002417246	520271066	/nfs/dbraw/zinc/27/10/66/520271066.db2.gz	YTBGEMBZTTWNQV-SFHVURJKSA-N	0	0	428.517	5.020	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(OCC(N)=O)cc1	ZINC000000780271	520272763	/nfs/dbraw/zinc/27/27/63/520272763.db2.gz	FYYZKUXDIJYTDQ-SANMLTNESA-N	0	0	426.516	5.013	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850234	520273108	/nfs/dbraw/zinc/27/31/08/520273108.db2.gz	NMLGVKZAYABCJW-FQEVSTJZSA-N	0	0	426.586	5.227	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850124	520273618	/nfs/dbraw/zinc/27/36/18/520273618.db2.gz	JNIOXNAYSSONJO-LJQANCHMSA-N	0	0	431.005	5.872	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccccc1Cl)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850885	520273965	/nfs/dbraw/zinc/27/39/65/520273965.db2.gz	MUZOMRLUYQAWSG-LJQANCHMSA-N	0	0	431.005	5.872	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850891	520274649	/nfs/dbraw/zinc/27/46/49/520274649.db2.gz	XJDHSOJMMPNYJU-OAQYLSRUSA-N	0	0	440.613	5.617	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1	ZINC000036512858	520287571	/nfs/dbraw/zinc/28/75/71/520287571.db2.gz	BMHURWSUBZKZTK-IBGZPJMESA-N	0	0	428.370	6.263	50	30		IKEARN
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3cccc(C)c3)cc2)cc1	ZINC000002553425	520338461	/nfs/dbraw/zinc/33/84/61/520338461.db2.gz	WKXCBDIJWXAXPZ-YZSQISJMSA-N	0	0	447.560	5.324	50	30		IKEARN
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(C)c(Cl)c3)S2)cc1	ZINC000002320062	520397628	/nfs/dbraw/zinc/39/76/28/520397628.db2.gz	FIZRWWQVCBKOJZ-IPQBESIJSA-N	0	0	445.972	5.027	50	30		IKEARN
CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1cc(Br)ccc1OC)O2	ZINC000013655026	520416693	/nfs/dbraw/zinc/41/66/93/520416693.db2.gz	SNSAQKHQFIFODM-NDENLUEZSA-N	0	0	446.341	5.011	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccc(F)cc1)C2	ZINC000016293762	520486464	/nfs/dbraw/zinc/48/64/64/520486464.db2.gz	NYOLGTHMWYXCMV-IQGLISFBSA-N	0	0	449.522	5.149	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)cc(Cl)c1OC	ZINC000100052417	520494201	/nfs/dbraw/zinc/49/42/01/520494201.db2.gz	CTLPRDBXNZAWOG-GOSISDBHSA-N	0	0	438.351	5.169	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2ccc(O)c(C)c2)C1=O	ZINC000036257907	520535284	/nfs/dbraw/zinc/53/52/84/520535284.db2.gz	XYIGBPIBSYGOAJ-LICLKQGHSA-N	0	0	449.450	5.263	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=Nc1c(C)n[nH]c1C	ZINC000013286186	520555025	/nfs/dbraw/zinc/55/50/25/520555025.db2.gz	JACGFSGWKKACCZ-MGXYOJEMSA-N	0	0	448.017	5.454	50	30		IKEARN
CCOc1cc(/C=C/C(=O)c2cc3ccccc3o2)ccc1OCCOc1ccc(F)cc1	ZINC000012595643	520617941	/nfs/dbraw/zinc/61/79/41/520617941.db2.gz	LTYYKTPGFCIJRD-NTUHNPAUSA-N	0	0	446.474	6.325	50	30		IKEARN
CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000009601528	520629157	/nfs/dbraw/zinc/62/91/57/520629157.db2.gz	OHUXDFROVCRHAM-STZFKDTASA-N	0	0	433.891	5.662	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)c1ccc(-n2c(C)ccc2C)cc1	ZINC000012546810	520651137	/nfs/dbraw/zinc/65/11/37/520651137.db2.gz	FDQXNUXWMXBEAZ-UHFFFAOYSA-N	0	0	439.309	5.346	50	30		IKEARN
CCOc1cc(C#N)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1OCC	ZINC000012411334	520651835	/nfs/dbraw/zinc/65/18/35/520651835.db2.gz	JBGZBGHIRTWEBQ-UHFFFAOYSA-N	0	0	437.323	5.460	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2O)C3)ccc1OC	ZINC000021349709	520778586	/nfs/dbraw/zinc/77/85/86/520778586.db2.gz	QBUAXCKLUMGEGR-VOIUYBSRSA-N	0	0	446.503	5.054	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)ccc1O	ZINC000028052477	520779991	/nfs/dbraw/zinc/77/99/91/520779991.db2.gz	KZEZWLRCMNIYKK-MZNJEOGPSA-N	0	0	446.503	5.054	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1	ZINC000008415091	520804965	/nfs/dbraw/zinc/80/49/65/520804965.db2.gz	ASMXLAJFKACSDY-NRFANRHFSA-N	0	0	428.866	5.225	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1	ZINC000010013488	520805350	/nfs/dbraw/zinc/80/53/50/520805350.db2.gz	FJSMDQJXVWOXQR-OAQYLSRUSA-N	0	0	428.866	5.225	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1	ZINC000001082100	520814454	/nfs/dbraw/zinc/81/44/54/520814454.db2.gz	KCENSAJUJSBWMW-WZONZLPQSA-N	0	0	436.939	5.048	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Br)C2=C(CC(C)(C)CC2=O)N1	ZINC000000823440	520814859	/nfs/dbraw/zinc/81/48/59/520814859.db2.gz	KJYBMQWDXCWJHZ-LJQANCHMSA-N	0	0	432.358	5.005	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccco3)CC2=O)N1	ZINC000001129676	520817759	/nfs/dbraw/zinc/81/77/59/520817759.db2.gz	QMXFSNDVGFEAOF-AVRWGWEMSA-N	0	0	449.522	5.656	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019638545	520818522	/nfs/dbraw/zinc/81/85/22/520818522.db2.gz	MDKPGMFAWUMHKT-FQRUVTKNSA-N	0	0	443.543	5.240	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019855324	520819966	/nfs/dbraw/zinc/81/99/66/520819966.db2.gz	PUMHXNHZVUZKGS-NBGIEHNGSA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	ZINC000000626646	520820015	/nfs/dbraw/zinc/82/00/15/520820015.db2.gz	CIBONHSIKNWTJP-FQEVSTJZSA-N	0	0	434.363	5.837	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1	ZINC000001129672	520820171	/nfs/dbraw/zinc/82/01/71/520820171.db2.gz	QMXFSNDVGFEAOF-CJAUYULYSA-N	0	0	449.522	5.656	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001184786	520821260	/nfs/dbraw/zinc/82/12/60/520821260.db2.gz	XXKWQIVCAMYFML-SBUREZEXSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000000708827	520824218	/nfs/dbraw/zinc/82/42/18/520824218.db2.gz	VEMXZDDCIZHGKV-NVQXNPDNSA-N	0	0	443.543	5.044	50	30	biogenic	IKEARN
CC1=Nc2nc3ccccc3n2[C@H](c2c(Cl)cccc2Cl)C1C(=O)c1ccccc1	ZINC000012416594	520826410	/nfs/dbraw/zinc/82/64/10/520826410.db2.gz	CFSPBNVFVLNTSC-QFIPXVFZSA-N	0	0	434.326	6.515	50	30		IKEARN
CCOc1ccc(-n2c3ccccc3nc2SCC(=O)N(C)C2(C#N)CCCCC2)cc1	ZINC000013070541	520837517	/nfs/dbraw/zinc/83/75/17/520837517.db2.gz	SJLVPQNQLYMVGV-UHFFFAOYSA-N	0	0	448.592	5.201	50	30		IKEARN
CCCCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccccc3)c2C#N)cc1	ZINC000020840609	520848112	/nfs/dbraw/zinc/84/81/12/520848112.db2.gz	VSWPJAUKBWZWIT-UHFFFAOYSA-N	0	0	442.544	5.228	50	30		IKEARN
CCCCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1	ZINC000031854479	520854918	/nfs/dbraw/zinc/85/49/18/520854918.db2.gz	PTBDRGLQUZKDTB-XKZIYDEJSA-N	0	0	430.371	6.198	50	30		IKEARN
CCOc1ccc(Br)cc1/C=N/c1ccc(I)cc1	ZINC000100221315	520863297	/nfs/dbraw/zinc/86/32/97/520863297.db2.gz	GYMZAQRPQZNKRE-VCHYOVAHSA-N	0	0	430.083	5.203	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1	ZINC000008915651	520872065	/nfs/dbraw/zinc/87/20/65/520872065.db2.gz	VTXPLMDXKUBAQA-PGMHBOJBSA-N	0	0	445.540	6.136	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C/c2c[nH]c3ccccc23)c2nc3ccccc3[nH]2)cc1OC	ZINC000050647522	520872404	/nfs/dbraw/zinc/87/24/04/520872404.db2.gz	FDOJQKQQIGJHAO-ZHZULCJRSA-N	0	0	437.499	5.875	50	30		IKEARN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C)cc2)cc1	ZINC000000702366	520877768	/nfs/dbraw/zinc/87/77/68/520877768.db2.gz	SFXMYOXEFIRAGI-VWLOTQADSA-N	0	0	441.527	5.215	50	30		IKEARN
CCN(CC)c1ccc(/C=C/C(=O)c2c(C)nc3ccc(C)cc3c2-c2ccccc2)cc1	ZINC000058268775	520879513	/nfs/dbraw/zinc/87/95/13/520879513.db2.gz	GTRFNHUQKVSITM-XDJHFCHBSA-N	0	0	434.583	7.261	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1	ZINC000032984316	520883247	/nfs/dbraw/zinc/88/32/47/520883247.db2.gz	KETRRTIIVDBXNG-UHFFFAOYSA-N	0	0	439.920	5.388	50	30		IKEARN
CCN(CC)c1ccc(/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)c(C)c1	ZINC000100005380	520884189	/nfs/dbraw/zinc/88/41/89/520884189.db2.gz	ZYKBEIDPRRYKKQ-URGPHPNLSA-N	0	0	437.543	5.723	50	30		IKEARN
CC1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1	ZINC000012566381	520901003	/nfs/dbraw/zinc/90/10/03/520901003.db2.gz	CDBOJGPJMRWNAJ-IZKYPSLPSA-N	0	0	426.170	7.766	50	30		IKEARN
CCOc1ccc(CSc2nc3c(cc2C#N)CCCC3)cc1-n1nc2ccccc2n1	ZINC000012412254	521013210	/nfs/dbraw/zinc/01/32/10/521013210.db2.gz	QHHVKIMWPPSMSJ-UHFFFAOYSA-N	0	0	441.560	5.257	50	30		IKEARN
CCOc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1	ZINC000032984231	521041069	/nfs/dbraw/zinc/04/10/69/521041069.db2.gz	PDDRZFUAUJHIIU-UHFFFAOYSA-N	0	0	439.920	5.388	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O	ZINC000036093498	521117626	/nfs/dbraw/zinc/11/76/26/521117626.db2.gz	ZPBMBACIKDGMLR-KVZWLNNISA-N	0	0	429.973	5.373	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1	ZINC000008995745	521168227	/nfs/dbraw/zinc/16/82/27/521168227.db2.gz	XXOXHKPAFDFNLX-ZTOMLWHTSA-N	0	0	436.555	6.306	50	30		IKEARN
CCOc1ccc([C@@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1	ZINC000013576529	521241666	/nfs/dbraw/zinc/24/16/66/521241666.db2.gz	FGZPNPTYWDRTON-NRFANRHFSA-N	0	0	443.543	5.454	50	30	biogenic	IKEARN
CCC[C@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000013582832	521256273	/nfs/dbraw/zinc/25/62/73/521256273.db2.gz	NVHYTASQZUFVJY-LXYRJJAWSA-N	0	0	444.398	5.392	50	30		IKEARN
CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984339	521273501	/nfs/dbraw/zinc/27/35/01/521273501.db2.gz	IXQGQHOXWGROAO-UHFFFAOYSA-N	0	0	449.547	6.126	50	30		IKEARN
CCCCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccccc32)cc1	ZINC000032984188	521273969	/nfs/dbraw/zinc/27/39/69/521273969.db2.gz	IVGVAQUUBDCXKO-UHFFFAOYSA-N	0	0	447.556	5.688	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000021660453	521276140	/nfs/dbraw/zinc/27/61/40/521276140.db2.gz	IZMNHMUWDJVXOA-KOSHJBKYSA-N	0	0	430.504	5.349	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(Cl)cc4Cl)c3c2C1	ZINC000025559717	521363669	/nfs/dbraw/zinc/36/36/69/521363669.db2.gz	LFXXQLWGGFPIDY-BTYNUJMBSA-N	0	0	447.435	6.985	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1	ZINC000038206506	521363831	/nfs/dbraw/zinc/36/38/31/521363831.db2.gz	XGARXZOHWZUNPN-AMUFHYMTSA-N	0	0	428.605	6.832	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1	ZINC000038206507	521366040	/nfs/dbraw/zinc/36/60/40/521366040.db2.gz	XGARXZOHWZUNPN-XNGBXZAESA-N	0	0	428.605	6.832	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc5ccccc5c4)c3c2C1	ZINC000025559705	521366088	/nfs/dbraw/zinc/36/60/88/521366088.db2.gz	CKEDGCDUCJJIIR-ONWZCDOSSA-N	0	0	442.632	7.222	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(Cl)cccc4Cl)c3c2C1	ZINC000012561337	521366679	/nfs/dbraw/zinc/36/66/79/521366679.db2.gz	ZMUWKRLESJFUPP-VHAYKOJPSA-N	0	0	447.435	6.985	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2ccc(C)c(C)c2)n2c3ccccc3nc2c1C#N	ZINC000012689790	521385676	/nfs/dbraw/zinc/38/56/76/521385676.db2.gz	RUCHGZGQDTYGCP-UHFFFAOYSA-N	0	0	428.561	5.659	50	30		IKEARN
CCCc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2c3ccccc3nc2c1C#N	ZINC000012689799	521386540	/nfs/dbraw/zinc/38/65/40/521386540.db2.gz	LYGBNELFITYZJT-UHFFFAOYSA-N	0	0	448.979	6.004	50	30		IKEARN
CCCc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3cccc4cccnc43)c2)s1	ZINC000036611173	521388463	/nfs/dbraw/zinc/38/84/63/521388463.db2.gz	ZIOAYFAMYBHUHZ-JLHYYAGUSA-N	0	0	443.568	6.733	50	30		IKEARN
CCOC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1-c1ccccc1	ZINC000020365487	521426898	/nfs/dbraw/zinc/42/68/98/521426898.db2.gz	DDYLKJXVDMNKCU-UHFFFAOYSA-N	0	0	426.303	5.716	50	30		IKEARN
CCOc1ccccc1NC(=NCc1ccc(OC)c(OC)c1)SCc1ccccc1	ZINC000009539937	521449852	/nfs/dbraw/zinc/44/98/52/521449852.db2.gz	APFQFOJLCHVPHU-UHFFFAOYSA-N	0	0	436.577	5.813	50	30		IKEARN
CCOC(=O)c1cc2c(nc1C)-c1ccccc1/C2=N\c1ccc2c(c1)Cc1ccccc1-2	ZINC000009065095	521449689	/nfs/dbraw/zinc/44/96/89/521449689.db2.gz	LBSYYJRAQHJKTH-CCFHIKDMSA-N	0	0	430.507	6.287	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc21	ZINC000008385146	521529628	/nfs/dbraw/zinc/52/96/28/521529628.db2.gz	SIDJDATZBYQNHC-MCMRFMRISA-N	0	0	431.561	5.437	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1cccc(C#N)c1)n2CCCOC(C)C	ZINC000023333525	521533289	/nfs/dbraw/zinc/53/32/89/521533289.db2.gz	UURQXEWSQJEWOX-UHFFFAOYSA-N	0	0	437.565	5.192	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000021658608	521581536	/nfs/dbraw/zinc/58/15/36/521581536.db2.gz	NZPAMPAPOOIXTO-XMMPIXPASA-N	0	0	427.548	5.780	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000028052176	521592422	/nfs/dbraw/zinc/59/24/22/521592422.db2.gz	PQEBVYHGFABDDH-HJPURHCSSA-N	0	0	434.923	5.993	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)nn(-c3ccccc3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000021658607	521592634	/nfs/dbraw/zinc/59/26/34/521592634.db2.gz	NZPAMPAPOOIXTO-DEOSSOPVSA-N	0	0	427.548	5.780	50	30		IKEARN
CCOC(=O)c1oc2ccc(/C=N/CCc3ccc(OC)c(OC)c3)c(Cl)c2c1C	ZINC000009943244	521607898	/nfs/dbraw/zinc/60/78/98/521607898.db2.gz	DEDXIKBAIDKRTE-DHRITJCHSA-N	0	0	429.900	5.250	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(Cl)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012563296	521617267	/nfs/dbraw/zinc/61/72/67/521617267.db2.gz	OSEUYHUNOPAQFS-SFHVURJKSA-N	0	0	429.969	6.087	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C	ZINC000012520213	521635834	/nfs/dbraw/zinc/63/58/34/521635834.db2.gz	CVLCXEYQWASSSI-YJYMSZOUSA-N	0	0	426.508	5.000	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C	ZINC000012520214	521635945	/nfs/dbraw/zinc/63/59/45/521635945.db2.gz	CVLCXEYQWASSSI-ORAYPTAESA-N	0	0	426.508	5.000	50	30		IKEARN
CCC/N=C1C(=N\CCC)\S/C(=N\N=C\c2ccccc2O)N\1c1ccc(F)cc1	ZINC000008399241	521658891	/nfs/dbraw/zinc/65/88/91/521658891.db2.gz	IKJDNYYQMRVVCM-FDRJWJLXSA-N	0	0	425.533	5.092	50	30		IKEARN
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@@H](C#N)c2ccccc2)c(Cl)c1	ZINC000058989386	521693174	/nfs/dbraw/zinc/69/31/74/521693174.db2.gz	NQWXNQWTBURGDJ-FQEVSTJZSA-N	0	0	438.936	5.041	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCC(C)C)c(OCC)c2)S/C1=N\c1ccccc1	ZINC000015010506	521698504	/nfs/dbraw/zinc/69/85/04/521698504.db2.gz	YQYIDYWBMUZUQE-JTUXUYRKSA-N	0	0	438.593	6.134	50	30		IKEARN
CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2)o1	ZINC000036611431	521791985	/nfs/dbraw/zinc/79/19/85/521791985.db2.gz	FWZNZNGVRZHARY-LSFURLLWSA-N	0	0	430.839	5.117	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000036611384	521792316	/nfs/dbraw/zinc/79/23/16/521792316.db2.gz	DVBGUJIQDKOKGR-GZIVZEMBSA-N	0	0	447.294	5.689	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000036611446	521794488	/nfs/dbraw/zinc/79/44/88/521794488.db2.gz	RRIGFOISINUVTF-GZIVZEMBSA-N	0	0	447.294	5.689	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1	ZINC000036611397	521794647	/nfs/dbraw/zinc/79/46/47/521794647.db2.gz	HOKXCGCPWDHIQJ-NUGSKGIGSA-N	0	0	440.903	5.652	50	30		IKEARN
CCSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1	ZINC000036611331	521795115	/nfs/dbraw/zinc/79/51/15/521795115.db2.gz	FXRQDCQTUQKCFA-LSFURLLWSA-N	0	0	426.876	5.344	50	30		IKEARN
COC(=O)c1cc(-c2ccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)o2)ccc1Cl	ZINC000008722623	521795053	/nfs/dbraw/zinc/79/50/53/521795053.db2.gz	CSFYAEOQCGMZFA-IOXBOXJCSA-N	0	0	444.743	5.528	50	30		IKEARN
CCSc1nncn1/N=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000020617966	521799106	/nfs/dbraw/zinc/79/91/06/521799106.db2.gz	HPVKWOCALIRKMB-QPSGOUHRSA-N	0	0	431.732	5.405	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=C/C(=O)/C=C/c1cc(Cl)cc(Cl)c1OC	ZINC000002065378	521837353	/nfs/dbraw/zinc/83/73/53/521837353.db2.gz	XZWYIFJCMITUSW-GGWOSOGESA-N	0	0	432.130	6.613	50	30		IKEARN
CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000021355960	521892717	/nfs/dbraw/zinc/89/27/17/521892717.db2.gz	VGVXVFRZFLVXMX-RUZDIDTESA-N	0	0	427.504	6.054	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(Cl)cc1	ZINC000035812647	521893388	/nfs/dbraw/zinc/89/33/88/521893388.db2.gz	PBWIWPQQXCPWJQ-UHFFFAOYSA-N	0	0	447.966	6.102	50	30		IKEARN
CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003041567	521908066	/nfs/dbraw/zinc/90/80/66/521908066.db2.gz	LDPJGHPSBUMJHN-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
COc1cc(/C=C(\C(=O)c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)cc(OC)c1O	ZINC000050575435	521921681	/nfs/dbraw/zinc/92/16/81/521921681.db2.gz	RHECHUGVNDOIJO-GZTJUZNOSA-N	0	0	434.879	5.363	50	30		IKEARN
COc1cc(/C=C/C(=O)c2ccc(Cl)s2)ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000036611186	521936190	/nfs/dbraw/zinc/93/61/90/521936190.db2.gz	XLIAOARFORVNGW-WEVVVXLNSA-N	0	0	441.936	5.632	50	30		IKEARN
COc1cc(/C=C/C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C	ZINC000012684770	521937500	/nfs/dbraw/zinc/93/75/00/521937500.db2.gz	OQQUIKPMQKEFJH-ZHACJKMWSA-N	0	0	437.927	5.480	50	30		IKEARN
CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@@H](c1ccccc1)CC2=O	ZINC000001429784	521940006	/nfs/dbraw/zinc/94/00/06/521940006.db2.gz	XMIISBOWIQSXLS-QAPCUYQASA-N	0	0	429.347	5.187	50	30		IKEARN
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OCC#N	ZINC000098087008	521971396	/nfs/dbraw/zinc/97/13/96/521971396.db2.gz	VXXUPQJEESMHMU-NVMNQCDNSA-N	0	0	449.315	5.141	50	30		IKEARN
COc1cc(/C=N/c2cccc(C(=O)Nc3cccc(Cl)c3)c2)c([N+](=O)[O-])cc1OC	ZINC000004178088	522003049	/nfs/dbraw/zinc/00/30/49/522003049.db2.gz	VFRLWVQDMRBOSH-ZMOGYAJESA-N	0	0	439.855	5.268	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl	ZINC000031854373	522006678	/nfs/dbraw/zinc/00/66/78/522006678.db2.gz	IZMGLWCEYKMBCG-WGARJPEWSA-N	0	0	449.963	6.497	50	30		IKEARN
COC(=O)c1ccc(COc2ccccc2/C=C/C(=O)c2ccc(Cl)cc2Cl)cc1	ZINC000013072470	522046702	/nfs/dbraw/zinc/04/67/02/522046702.db2.gz	GGDNSPPZWFAFMK-JLHYYAGUSA-N	0	0	441.310	6.255	50	30		IKEARN
COc1cc(C(=O)/C=C/c2ccc(Oc3ccccc3Cl)c([N+](=O)[O-])c2)ccc1O	ZINC000012865713	522049408	/nfs/dbraw/zinc/04/94/08/522049408.db2.gz	PKYMNHSMEASGPH-RMKNXTFCSA-N	0	0	425.824	5.651	50	30		IKEARN
COc1cc(C)c(/C=C2\S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C	ZINC000100319193	522182946	/nfs/dbraw/zinc/18/29/46/522182946.db2.gz	QEKANXFTDOFSFP-AGGBOBLOSA-N	0	0	434.605	6.674	50	30		IKEARN
CN(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(=O)Nc1ccccc1C(F)(F)F	ZINC000024831505	522405975	/nfs/dbraw/zinc/40/59/75/522405975.db2.gz	ZYTUIPUGIQCYEC-UHFFFAOYSA-N	0	0	448.470	5.637	50	30		IKEARN
COc1cc(F)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000085413364	522590997	/nfs/dbraw/zinc/59/09/97/522590997.db2.gz	MQSYXWTUEHCXBE-AREMUKBSSA-N	0	0	431.507	6.306	50	30		IKEARN
COc1cc(OC)cc(-c2cc(/C=C\c3ccccc3)c(C#N)c3nc4ccccc4n32)c1	ZINC000033614409	522837194	/nfs/dbraw/zinc/83/71/94/522837194.db2.gz	BFCDVIXKIYVOAA-SEYXRHQNSA-N	0	0	431.495	6.214	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccc(F)cc2)c1	ZINC000025694986	522877220	/nfs/dbraw/zinc/87/72/20/522877220.db2.gz	DHFHSIULJLOUCM-DEOSSOPVSA-N	0	0	449.522	5.182	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1	ZINC000009010455	522880872	/nfs/dbraw/zinc/88/08/72/522880872.db2.gz	HGIGHMZGXILPRD-RCDICMHDSA-N	0	0	427.953	5.245	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1cccc(C(F)(F)F)c1	ZINC000000717037	522883691	/nfs/dbraw/zinc/88/36/91/522883691.db2.gz	RFBYMWAFDRFDDM-XOBRGWDASA-N	0	0	447.478	5.302	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000001215700	522929175	/nfs/dbraw/zinc/92/91/75/522929175.db2.gz	ZCEACTMKSLSULO-WINIVTDRSA-N	0	0	426.516	5.689	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000008445584	522929856	/nfs/dbraw/zinc/92/98/56/522929856.db2.gz	JHZIQNXEODGTCH-DFXYEROKSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000000712725	522930131	/nfs/dbraw/zinc/93/01/31/522930131.db2.gz	CXBANNODYSUWHE-MHZLTWQESA-N	0	0	441.527	6.083	50	30		IKEARN
COc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000018324510	522962671	/nfs/dbraw/zinc/96/26/71/522962671.db2.gz	HEQSNBCMHSCOIC-XMMPIXPASA-N	0	0	436.552	5.551	50	30		IKEARN
COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4C(=O)C32)ccc1OC(C)=O	ZINC000009433981	522967703	/nfs/dbraw/zinc/96/77/03/522967703.db2.gz	QSUKHSAPCDIWRD-RUZDIDTESA-N	0	0	429.497	5.487	50	30		IKEARN
COc1cc2c(cc1OC)-c1c(C#N)c(/N=N/c3ccccc3)c(-c3cccs3)n1CC2	ZINC000012340730	523020752	/nfs/dbraw/zinc/02/07/52/523020752.db2.gz	JFNLTDTWQZFDQZ-BYYHNAKLSA-N	0	0	440.528	6.744	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(Cl)cc1	ZINC000035363244	523076239	/nfs/dbraw/zinc/07/62/39/523076239.db2.gz	WPJKKRRYFBKTIB-UHFFFAOYSA-N	0	0	447.966	6.102	50	30		IKEARN
COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2cccc(C)c2)cc1	ZINC000035843391	523088801	/nfs/dbraw/zinc/08/88/01/523088801.db2.gz	RWFBDSRFTGHMNZ-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1ccc(-c2cc(/C(C)=N\OCc3ccc(F)cc3)c(C)n2-c2ccccc2F)cc1	ZINC000035843380	523089288	/nfs/dbraw/zinc/08/92/88/523089288.db2.gz	XWZBDQJVALTDIS-YKQZZPSBSA-N	0	0	446.497	6.680	50	30		IKEARN
COc1ccc(-c2cc(/C(C)=N\OCc3ccc(C#N)cc3)c(C)n2-c2cccc(C)c2)cc1	ZINC000035843390	523089813	/nfs/dbraw/zinc/08/98/13/523089813.db2.gz	UOGCMUXRJULHDZ-YQYKVWLJSA-N	0	0	449.554	6.582	50	30		IKEARN
COc1ccc(-c2cc(/C(C)=N\OCc3ccccc3F)c(C)n2-c2ccccc2F)cc1	ZINC000035843381	523090581	/nfs/dbraw/zinc/09/05/81/523090581.db2.gz	ZPAJBZQUOGJSOE-YKQZZPSBSA-N	0	0	446.497	6.680	50	30		IKEARN
COc1ccc(-c2cc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000021658645	523122985	/nfs/dbraw/zinc/12/29/85/523122985.db2.gz	XNTUUJSWAIEBTQ-XMMPIXPASA-N	0	0	433.939	5.870	50	30		IKEARN
COc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)o2)c([N+](=O)[O-])c1	ZINC000016675907	523126948	/nfs/dbraw/zinc/12/69/48/523126948.db2.gz	SFHBNSRSDZRFBW-MTJSOVHGSA-N	0	0	449.488	5.372	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)cc1OC	ZINC000035847484	523263293	/nfs/dbraw/zinc/26/32/93/523263293.db2.gz	KKEXUTGGIQODFN-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=N/c3ccc(C)c(I)c3)ccc21	ZINC000002937928	523274932	/nfs/dbraw/zinc/27/49/32/523274932.db2.gz	JXIHQBARDLAAOR-ZVHZXABRSA-N	0	0	438.312	6.478	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(OC)c4)c3C)C2=O)c2ccccc21	ZINC000008993428	523304151	/nfs/dbraw/zinc/30/41/51/523304151.db2.gz	HIGJXBUSINTZNE-CVKSISIWSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@H+](C)Cc3ccccc3)C2=O)c2ccccc21	ZINC000020648521	523304688	/nfs/dbraw/zinc/30/46/88/523304688.db2.gz	FKXGRIWUNAQTNC-CVKSISIWSA-N	0	0	438.527	5.615	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)/C=C/c4ccccc4)ccc3C2=O)c2ccccc21	ZINC000009423577	523304926	/nfs/dbraw/zinc/30/49/26/523304926.db2.gz	RJCNDIUKZRXYMB-SSALVRQISA-N	0	0	435.479	5.896	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@H](C)C3)C2=O)c2cc(OC)ccc21	ZINC000020649674	523305142	/nfs/dbraw/zinc/30/51/42/523305142.db2.gz	CYWOHMRXGGESRQ-BIXBROTJSA-N	0	0	446.547	5.224	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000008993358	523307061	/nfs/dbraw/zinc/30/70/61/523307061.db2.gz	AFELYTRGWXQTDL-DHRITJCHSA-N	0	0	439.467	5.505	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21	ZINC000009423154	523307437	/nfs/dbraw/zinc/30/74/37/523307437.db2.gz	FOPXAJBARZWKLR-OPEKNORGSA-N	0	0	447.893	6.649	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21	ZINC000008992181	523307508	/nfs/dbraw/zinc/30/75/08/523307508.db2.gz	IANJMAAMINZOIL-BRJLIKDPSA-N	0	0	447.893	6.649	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3ccccc3C)cc2-c2ccc(F)cc2)cc1	ZINC000035843472	523312826	/nfs/dbraw/zinc/31/28/26/523312826.db2.gz	VKMXGHLDNVKVKR-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888204	523359041	/nfs/dbraw/zinc/35/90/41/523359041.db2.gz	HYENONJVQALLET-MIHXGWCRSA-N	0	0	426.343	6.727	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(N3CCCCC3)cc2)cc1CSc1ccccn1	ZINC000036611163	523400354	/nfs/dbraw/zinc/40/03/54/523400354.db2.gz	CYSLGLDJAFWMBY-RIYZIHGNSA-N	0	0	444.600	6.269	50	30		IKEARN
COc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)OCC#N)cc1	ZINC000033665646	523411960	/nfs/dbraw/zinc/41/19/60/523411960.db2.gz	NJORMWDVDORMNK-RMWKRFJVSA-N	0	0	440.543	6.073	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(SC)cc3)CC(=O)O4)C2=O)cc1	ZINC000217826468	523421700	/nfs/dbraw/zinc/42/17/00/523421700.db2.gz	AEHDUFYLQRGKTI-CWGWECIMSA-N	0	0	444.508	5.474	50	30	biogenic	IKEARN
CC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000013617241	523421878	/nfs/dbraw/zinc/42/18/78/523421878.db2.gz	HUHMPQIMRFPRLA-BUMUASTJSA-N	0	0	447.560	5.101	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(F)cc3)c(NC(=O)c3ccccc3)s2)cc1	ZINC000016751620	523445996	/nfs/dbraw/zinc/44/59/96/523445996.db2.gz	JGVCUKFHZOOTDO-CVKSISIWSA-N	0	0	446.507	5.656	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1OC	ZINC000008872767	523447767	/nfs/dbraw/zinc/44/77/67/523447767.db2.gz	UXBASONFVZDOHQ-CVKSISIWSA-N	0	0	449.963	6.594	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl	ZINC000003050068	523456260	/nfs/dbraw/zinc/45/62/60/523456260.db2.gz	SLJYSRMPFGEODL-WYMPLXKRSA-N	0	0	441.712	6.670	50	30		IKEARN
COc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c(OC)c1	ZINC000016215454	523461883	/nfs/dbraw/zinc/46/18/83/523461883.db2.gz	CBGRKBJHDIEXTQ-MYYYXRDXSA-N	0	0	426.582	5.457	50	30		IKEARN
COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1	ZINC000009034210	523467185	/nfs/dbraw/zinc/46/71/85/523467185.db2.gz	ZYEATRUJSVVDHW-QEUXCTTPSA-N	0	0	431.539	6.802	50	30		IKEARN
COc1ccc(/N=C2\[C@H](N3CCCCC3)C(C)(C)C(=O)N2c2ccc(Cl)cc2)cc1	ZINC000021152152	523473195	/nfs/dbraw/zinc/47/31/95/523473195.db2.gz	SRPAIVWLEBJDKG-XIPYDIPCSA-N	0	0	425.960	5.306	50	30		IKEARN
COc1ccc(Br)cc1/C=C1\Oc2cc(OC(=O)C(C)(C)C)ccc2C1=O	ZINC000009303622	523490135	/nfs/dbraw/zinc/49/01/35/523490135.db2.gz	RPOPSLBFHDWMSK-ZDLGFXPLSA-N	0	0	431.282	5.025	50	30		IKEARN
COc1ccc(Br)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2	ZINC000000828730	523511272	/nfs/dbraw/zinc/51/12/72/523511272.db2.gz	PZAYJGYNCHIXMY-XMMPIXPASA-N	0	0	434.333	6.284	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009272169	523537861	/nfs/dbraw/zinc/53/78/61/523537861.db2.gz	JKITYMNYIXNJLT-YIXHJXPBSA-N	0	0	437.835	5.372	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)cc1	ZINC000032984187	523572826	/nfs/dbraw/zinc/57/28/26/523572826.db2.gz	AMINBBOGQZRHGI-UHFFFAOYSA-N	0	0	433.529	5.468	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c1C	ZINC000032971684	523638641	/nfs/dbraw/zinc/63/86/41/523638641.db2.gz	AJTZCAPQPOPBOD-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CCn1nccc1C(=O)/C=C/c1ccc(OC)c(COc2ccc(Br)cc2)c1	ZINC000019633250	523709713	/nfs/dbraw/zinc/70/97/13/523709713.db2.gz	PLIDPALTLPQGIO-ONNFQVAWSA-N	0	0	441.325	5.149	50	30		IKEARN
CN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)cc2Cl)C1	ZINC000020470046	523738261	/nfs/dbraw/zinc/73/82/61/523738261.db2.gz	KWBRNOSZNAIKEZ-KHOBFWCSSA-N	0	0	427.158	6.282	50	30		IKEARN
CN(/N=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1cccc(C(F)(F)F)n1	ZINC000012369063	523770025	/nfs/dbraw/zinc/77/00/25/523770025.db2.gz	XBXANXGAIFFEFH-KBKYJPHKSA-N	0	0	429.389	6.318	50	30		IKEARN
CN(/N=C\c1ccc(Br)cc1)c1nc(-c2ccccc2)cc(-c2ccccc2)n1	ZINC000032691015	523772198	/nfs/dbraw/zinc/77/21/98/523772198.db2.gz	QKLDVRIKOJINSR-ONUIUJJFSA-N	0	0	443.348	6.043	50	30		IKEARN
COCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(OC)cc1	ZINC000015227171	523787273	/nfs/dbraw/zinc/78/72/73/523787273.db2.gz	CFFJQCHIQBJBOM-GTZNUUOLSA-N	0	0	449.576	5.481	50	30		IKEARN
CCc1ccc(/C=C2\S/C(=N\c3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1	ZINC000002073736	523873958	/nfs/dbraw/zinc/87/39/58/523873958.db2.gz	NJKRWTLERJDADA-DADJGAKYSA-N	0	0	440.612	7.291	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3ccc(F)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000015018358	523874974	/nfs/dbraw/zinc/87/49/74/523874974.db2.gz	YDCLQDJDJSNFFE-NMRWETQTSA-N	0	0	430.548	6.759	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C)cc1	ZINC000101513203	523875316	/nfs/dbraw/zinc/87/53/16/523875316.db2.gz	AINQTJXLCMPTIW-UINIZAEWSA-N	0	0	428.557	6.062	50	30		IKEARN
CCc1ccc(/N=C2/S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1	ZINC000012354254	523875898	/nfs/dbraw/zinc/87/58/98/523875898.db2.gz	MKGALFJXTVPANF-LMDBJESCSA-N	0	0	431.355	5.254	50	30		IKEARN
CCc1ccc(C(=O)[C@H]2[C@H](c3ccccc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000013511070	523898366	/nfs/dbraw/zinc/89/83/66/523898366.db2.gz	RZTRFLOLDMIBQM-REUBFRLUSA-N	0	0	429.523	5.659	50	30		IKEARN
COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C	ZINC000012463225	523941668	/nfs/dbraw/zinc/94/16/68/523941668.db2.gz	MVOLPQKOUHRUSD-LEWJYISDSA-N	0	0	432.545	5.204	50	30		IKEARN
CCc1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1	ZINC000020575713	523962307	/nfs/dbraw/zinc/96/23/07/523962307.db2.gz	UTIYPSMPTVCSNJ-STZFKDTASA-N	0	0	438.574	5.105	50	30		IKEARN
CN(C)C=[NH+]C([O-])=C(c1ncc(C(F)(F)F)cc1Cl)c1c(Cl)cccc1Cl	ZINC000012861374	523968439	/nfs/dbraw/zinc/96/84/39/523968439.db2.gz	SMISJDSFXHUEBI-WLXKBATFSA-N	0	0	438.664	5.309	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1	ZINC000035817506	524007278	/nfs/dbraw/zinc/00/72/78/524007278.db2.gz	JESQQNXVXJKARR-ZCPGDWHISA-N	0	0	433.523	5.529	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1	ZINC000035973803	524008352	/nfs/dbraw/zinc/00/83/52/524008352.db2.gz	RUCSBLGADDDLHI-GYDRKIPBSA-N	0	0	445.559	5.399	50	30		IKEARN
CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1	ZINC000021722831	524013441	/nfs/dbraw/zinc/01/34/41/524013441.db2.gz	IAXIKTUSNGNIFA-RUZDIDTESA-N	0	0	448.544	5.211	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000008926755	524051722	/nfs/dbraw/zinc/05/17/22/524051722.db2.gz	FXNBYLPGDWPUPX-WNSKOXEYSA-N	0	0	441.618	5.685	50	30		IKEARN
COc1ccc(CO/N=C(/C)c2cc(-c3ccc(F)cc3)n(-c3cccc(C)c3)c2C)cc1	ZINC000035843455	524109831	/nfs/dbraw/zinc/10/98/31/524109831.db2.gz	CJWXJTVYSXUJMS-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
C[C@@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020646951	524115646	/nfs/dbraw/zinc/11/56/46/524115646.db2.gz	WUEDDSYVZIQZJQ-FDRCZSESSA-N	0	0	425.528	6.050	50	30		IKEARN
COc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1	ZINC000012952089	524123107	/nfs/dbraw/zinc/12/31/07/524123107.db2.gz	CIPSXDRYWBSNIY-ANYBSYGZSA-N	0	0	441.478	6.507	50	30		IKEARN
Cc1cccc(Nc2cc(NCc3ccccc3)c3noc4c3c2C(=O)c2ccccc2-4)c1	ZINC000009273935	524156629	/nfs/dbraw/zinc/15/66/29/524156629.db2.gz	OQYUZQRARMFKNC-JBASAIQMSA-N	0	0	431.495	6.260	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1O	ZINC000013568531	524186719	/nfs/dbraw/zinc/18/67/19/524186719.db2.gz	LXXCBZMSVOQMKD-ODCWNRFASA-N	0	0	446.934	6.034	50	30		IKEARN
Cc1ccc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1	ZINC000006244734	524208078	/nfs/dbraw/zinc/20/80/78/524208078.db2.gz	OQZASONRRBHPCD-ZONZVBGPSA-N	0	0	429.523	5.588	50	30		IKEARN
Cc1ccc(CNC(Nc2ccc(C(=O)[O-])cc2)=[NH+]CCC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304874	524226809	/nfs/dbraw/zinc/22/68/09/524226809.db2.gz	DVLPYYNERAKGGK-UHFFFAOYSA-N	0	0	445.607	5.857	50	30		IKEARN
Cc1cccc(C)c1-n1c(-c2ccc(Cl)cc2)cnc1SCc1ccc(C#N)cc1	ZINC000012551672	524243855	/nfs/dbraw/zinc/24/38/55/524243855.db2.gz	VEUMHIBBQNFMIN-UHFFFAOYSA-N	0	0	429.976	6.974	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@@H]([C@@H](C)c2cccnc2)Oc2ccc(O)cc21	ZINC000020683601	524299751	/nfs/dbraw/zinc/29/97/51/524299751.db2.gz	KHZHNLYHGABBRR-VJCOLUCKSA-N	0	0	446.576	5.050	50	30		IKEARN
COc1ccccc1C=C1Oc2cc(OCC(=O)c3ccc4ccccc4c3)ccc2C1=O	ZINC000013627805	524321974	/nfs/dbraw/zinc/32/19/74/524321974.db2.gz	KIBAHLQTUMZVBC-DICXZTSXSA-N	0	0	436.463	5.726	50	30		IKEARN
Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1	ZINC000025558067	524328099	/nfs/dbraw/zinc/32/80/99/524328099.db2.gz	SESRQIAIENIWCF-JLHYYAGUSA-N	0	0	440.948	5.929	50	30		IKEARN
COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccccc3C(F)(F)F)cs2)cc1	ZINC000012865967	524338798	/nfs/dbraw/zinc/33/87/98/524338798.db2.gz	XQUHFQTYXMWJDS-KPKJPENVSA-N	0	0	446.450	5.751	50	30		IKEARN
COc1ccc(N(C(C)=O)c2nc(/C=C/C(=O)c3ccc(Cl)cc3Cl)cs2)cc1	ZINC000012900095	524339292	/nfs/dbraw/zinc/33/92/92/524339292.db2.gz	LHVOLNHFJWJWRS-ONNFQVAWSA-N	0	0	447.343	6.039	50	30		IKEARN
Cc1cc(C)c2c(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3sccc3C#N)n2n1	ZINC000012568785	524340905	/nfs/dbraw/zinc/34/09/05/524340905.db2.gz	ANXRSYHSULQDCC-OAHLLOKOSA-N	0	0	433.562	5.066	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943038	524409401	/nfs/dbraw/zinc/40/94/01/524409401.db2.gz	ZVCMTAZOXAZFGL-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C2C(=O)CCCC2=N3)c1	ZINC000020134245	524465131	/nfs/dbraw/zinc/46/51/31/524465131.db2.gz	LSMFTTWUPJQQSG-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
COc1ccccc1CO/N=C(/C)c1cc(-c2ccc(F)cc2)n(-c2ccc(C)cc2)c1C	ZINC000035843446	524491952	/nfs/dbraw/zinc/49/19/52/524491952.db2.gz	WVUADNQOHKRPOS-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)ccc2C#N)cc1OC	ZINC000012250965	524508100	/nfs/dbraw/zinc/50/81/00/524508100.db2.gz	LYIOWYZZMGUBIU-UHFFFAOYSA-N	0	0	439.924	5.022	50	30		IKEARN
Cc1cccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)c1	ZINC000020558942	524529733	/nfs/dbraw/zinc/52/97/33/524529733.db2.gz	YKQGSHWYOZVUKB-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(Cl)c2)n1	ZINC000001176654	524580010	/nfs/dbraw/zinc/58/00/10/524580010.db2.gz	KEFQWZYOJXNKTN-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000021355939	524612163	/nfs/dbraw/zinc/61/21/63/524612163.db2.gz	ZJXSAIKIUPADPQ-XMMPIXPASA-N	0	0	429.476	5.501	50	30		IKEARN
COc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1	ZINC000021722360	524612371	/nfs/dbraw/zinc/61/23/71/524612371.db2.gz	NUGJZDQWIIMPQF-XMMPIXPASA-N	0	0	445.544	5.969	50	30		IKEARN
Cc1cccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1	ZINC000012465377	524655223	/nfs/dbraw/zinc/65/52/23/524655223.db2.gz	JEUWQKBPCPMTGM-WNMDNWPKSA-N	0	0	443.572	5.198	50	30		IKEARN
COc1ccc(NC(=S)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	ZINC000002553595	524664112	/nfs/dbraw/zinc/66/41/12/524664112.db2.gz	XMDZHFHECJKLGJ-ZVHZXABRSA-N	0	0	425.941	5.248	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)c1	ZINC000064873945	524665082	/nfs/dbraw/zinc/66/50/82/524665082.db2.gz	ZWQGFFFWTRPOAI-QHCPKHFHSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccc(C[C@H](C#N)Sc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1	ZINC000013147975	524668961	/nfs/dbraw/zinc/66/89/61/524668961.db2.gz	WTCGDZPSPLEHQS-JOCHJYFZSA-N	0	0	430.964	6.123	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1F)NCCc1c[nH]c2ccccc12	ZINC000032943244	524728852	/nfs/dbraw/zinc/72/88/52/524728852.db2.gz	VRYIAMGLEBGORK-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1cccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)c1	ZINC000012419017	524764829	/nfs/dbraw/zinc/76/48/29/524764829.db2.gz	ZVHIHHTYHFAWBF-UHFFFAOYSA-N	0	0	429.432	5.035	50	30		IKEARN
COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3ccc(F)cc3F)n2)c1	ZINC000012745318	524803090	/nfs/dbraw/zinc/80/30/90/524803090.db2.gz	GSRYHTAHKLCQAW-VMPITWQZSA-N	0	0	444.459	5.019	50	30		IKEARN
Cc1cccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1	ZINC000064775585	524841512	/nfs/dbraw/zinc/84/15/12/524841512.db2.gz	PJGBDQYDPQSIBK-XMMPIXPASA-N	0	0	426.520	5.083	50	30		IKEARN
Cc1cc(Cl)ccc1/N=C/N(C)SN(C(C)C)S(=O)(=O)c1ccc(Cl)cc1	ZINC000071770457	524879337	/nfs/dbraw/zinc/87/93/37/524879337.db2.gz	TVROFFSRAAJUHB-CIAFOILYSA-N	0	0	446.425	5.556	50	30		IKEARN
COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)c1	ZINC000009559870	524891598	/nfs/dbraw/zinc/89/15/98/524891598.db2.gz	VBOMNYVAOUBMGG-BLLLJJGKSA-N	0	0	446.330	5.015	50	30		IKEARN
Cc1ccc(N(CCC#N)C(=O)CSc2nnc(Nc3ccc(C)c(C)c3)s2)cc1	ZINC000002615878	524897850	/nfs/dbraw/zinc/89/78/50/524897850.db2.gz	VEFOAIMQKHAPHP-UHFFFAOYSA-N	0	0	437.594	5.246	50	30		IKEARN
COc1ccc(OC)c([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000000709524	524899263	/nfs/dbraw/zinc/89/92/63/524899263.db2.gz	GCVGKBWXCHEOJV-CLYVBNDRSA-N	0	0	426.516	5.683	50	30		IKEARN
C[C@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1	ZINC000020551333	524967630	/nfs/dbraw/zinc/96/76/30/524967630.db2.gz	MXKVYUBQYKKLMX-STPJHCLOSA-N	0	0	437.337	5.456	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1	ZINC000021355929	525152001	/nfs/dbraw/zinc/15/20/01/525152001.db2.gz	WFQQXUQZBXQPTN-RUZDIDTESA-N	0	0	427.504	6.109	50	30		IKEARN
COc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)c2ccccc12	ZINC000100349408	525169325	/nfs/dbraw/zinc/16/93/25/525169325.db2.gz	OORKKSKEWRJWDI-XMMPIXPASA-N	0	0	448.559	5.708	50	30		IKEARN
Cc1ccccc1CSC1=Nc2ccccc2C1=NNc1cccc(C(F)(F)F)c1	ZINC000012955517	525181293	/nfs/dbraw/zinc/18/12/93/525181293.db2.gz	RTJIGIMRMGGWQM-ANYBSYGZSA-N	0	0	425.479	6.807	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020849999	525186277	/nfs/dbraw/zinc/18/62/77/525186277.db2.gz	JUKDLBOOVVEHSI-QFIPXVFZSA-N	0	0	448.567	5.676	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C1C(=O)CCCC1=N2	ZINC000009856536	525186828	/nfs/dbraw/zinc/18/68/28/525186828.db2.gz	MKRBBJFMQOFVSE-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020849996	525187514	/nfs/dbraw/zinc/18/75/14/525187514.db2.gz	JUKDLBOOVVEHSI-JOCHJYFZSA-N	0	0	448.567	5.676	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@H](c1cccs1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850061	525187606	/nfs/dbraw/zinc/18/76/06/525187606.db2.gz	DNIAJIIBCUUTBY-HXUWFJFHSA-N	0	0	436.606	5.598	50	30		IKEARN
Cc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(Cl)cc2)S1(=O)=O	ZINC000020558940	525219172	/nfs/dbraw/zinc/21/91/72/525219172.db2.gz	HYSPFRWGUZDIHS-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12	ZINC000032943165	525219966	/nfs/dbraw/zinc/21/99/66/525219966.db2.gz	GQADRNJCDWLNDI-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)cc1	ZINC000065165011	525227193	/nfs/dbraw/zinc/22/71/93/525227193.db2.gz	VVIRSLMAFQMSQF-JOCHJYFZSA-N	0	0	446.576	5.237	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3cccs3)C2)cc1	ZINC000006157000	525233133	/nfs/dbraw/zinc/23/31/33/525233133.db2.gz	IADRAYWMJXEQEO-FYSMJZIKSA-N	0	0	427.529	5.522	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O	ZINC000000793481	525268128	/nfs/dbraw/zinc/26/81/28/525268128.db2.gz	MKWYUHYBWXUTCR-MHZLTWQESA-N	0	0	441.527	6.083	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O	ZINC000000815821	525268508	/nfs/dbraw/zinc/26/85/08/525268508.db2.gz	ZUFFGJVOIPXCQQ-WINIVTDRSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1cc([O-])c(C[N@H+](C)Cc2ccccc2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2	ZINC000020649337	525312326	/nfs/dbraw/zinc/31/23/26/525312326.db2.gz	VIUPTGSGSRJIOU-OYKKKHCWSA-N	0	0	425.484	5.695	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O	ZINC000245227745	525348483	/nfs/dbraw/zinc/34/84/83/525348483.db2.gz	UILXPFRZQGQVFT-IWOXOBLGSA-N	0	0	442.546	6.174	50	30	biogenic	IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl	ZINC000020602264	525351002	/nfs/dbraw/zinc/35/10/02/525351002.db2.gz	KAZZDRRNZVOQBJ-LYTUFYRVSA-N	0	0	441.402	7.030	50	30		IKEARN
Cc1cc(OCc2ccc(C=NN3C(=S)N=NC3c3cccs3)o2)ccc1Cl	ZINC000036611443	525374209	/nfs/dbraw/zinc/37/42/09/525374209.db2.gz	LGMOIRFOJJBBIQ-UFFVCSGVSA-N	0	0	430.942	5.311	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c(OC)c1	ZINC000001080670	525390768	/nfs/dbraw/zinc/39/07/68/525390768.db2.gz	JQWFQKQZQDOHLD-DEOSSOPVSA-N	0	0	425.488	5.225	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000009559909	525396122	/nfs/dbraw/zinc/39/61/22/525396122.db2.gz	HRGKDTWDANVPNH-CABCVRRESA-N	0	0	446.330	5.015	50	30		IKEARN
Cc1ccccc1[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1	ZINC000012300246	525396153	/nfs/dbraw/zinc/39/61/53/525396153.db2.gz	VAMHZHTWAFUJNL-MUUNZHRXSA-N	0	0	448.566	5.387	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Oc3ccccc3)c2)cc1	ZINC000009560045	525396375	/nfs/dbraw/zinc/39/63/75/525396375.db2.gz	VMJSNTZIJYYPPK-YKSBVNFPSA-N	0	0	439.511	5.492	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)cc1OC	ZINC000000709671	525397762	/nfs/dbraw/zinc/39/77/62/525397762.db2.gz	BMGCNEXJQXCUPY-WXTAPIANSA-N	0	0	427.504	5.078	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(N(C)C)cc2)cc1	ZINC000000630713	525397903	/nfs/dbraw/zinc/39/79/03/525397903.db2.gz	LYLCHAAMYDNCQX-PIIWDFAUSA-N	0	0	439.559	5.741	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)o2)cc1OC	ZINC000013568523	525398358	/nfs/dbraw/zinc/39/83/58/525398358.db2.gz	SZVJJKBBXRRTCE-WGDIFIGCSA-N	0	0	430.504	5.585	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1O	ZINC000009601031	525429977	/nfs/dbraw/zinc/42/99/77/525429977.db2.gz	NKJHSBJSERJWFG-IIMAJNMQSA-N	0	0	447.534	6.621	50	30		IKEARN
COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)cc1OC	ZINC000001060676	525431191	/nfs/dbraw/zinc/43/11/91/525431191.db2.gz	TWFIOUYTMFCUQM-XMMPIXPASA-N	0	0	425.488	5.334	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccccc3Cl)nn21	ZINC000009856513	525433462	/nfs/dbraw/zinc/43/34/62/525433462.db2.gz	FRYCUHWHCCWHRC-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccccc1[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1cccc(C#CC(C)(C)O)c1	ZINC000012300244	525448695	/nfs/dbraw/zinc/44/86/95/525448695.db2.gz	VAMHZHTWAFUJNL-NDEPHWFRSA-N	0	0	448.566	5.387	50	30		IKEARN
Cc1ccc(S(=O)(=O)N=C(Nc2ccc(Br)cc2)c2ccccc2)cc1	ZINC000012378369	525484143	/nfs/dbraw/zinc/48/41/43/525484143.db2.gz	XHEMTJHLXFQYJQ-UHFFFAOYSA-N	0	0	429.339	5.005	50	30		IKEARN
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@H]1CC2	ZINC000012342759	525508957	/nfs/dbraw/zinc/50/89/57/525508957.db2.gz	WORYLAZEPKLIAL-AHGRHQQFSA-N	0	0	439.353	5.274	50	30		IKEARN
COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3cccc(C)c3C)n1)C2=O	ZINC000012821052	525510340	/nfs/dbraw/zinc/51/03/40/525510340.db2.gz	MBDMPPYGRDRUIW-UNOMPAQXSA-N	0	0	432.545	5.666	50	30		IKEARN
Cc1ccc(S(=O)(=O)N(SN(C)/C=N/c2ccc(Cl)cc2C)C(C)(C)C)cc1	ZINC000071770456	525514171	/nfs/dbraw/zinc/51/41/71/525514171.db2.gz	ALSQDQBTDAMPLB-HYARGMPZSA-N	0	0	440.034	5.601	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C	ZINC000001480456	525521331	/nfs/dbraw/zinc/52/13/31/525521331.db2.gz	JFBZUEFIDNWSEY-DHRITJCHSA-N	0	0	426.303	5.802	50	30		IKEARN
Cc1c(/N=C/c2ccc(OC(=O)c3ccccc3Cl)cc2)c(=O)n(-c2ccccc2)n1C	ZINC000000711175	525522447	/nfs/dbraw/zinc/52/24/47/525522447.db2.gz	NXQGDFSZBZGREB-JVWAILMASA-N	0	0	445.906	5.108	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@H]21	ZINC000020607798	525533917	/nfs/dbraw/zinc/53/39/17/525533917.db2.gz	SZBWKZHLROZHJQ-UAXVYIRVSA-N	0	0	432.560	5.831	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc2oc(-c3ccccc3)nc2c1	ZINC000027472156	525534695	/nfs/dbraw/zinc/53/46/95/525534695.db2.gz	VCIYUVFLXGPEJK-WKULSOCRSA-N	0	0	443.466	5.932	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccccc3OC(F)F)cc2)cc1	ZINC000013133686	525597326	/nfs/dbraw/zinc/59/73/26/525597326.db2.gz	BASBCDVYIVEQBY-XNTDXEJSSA-N	0	0	443.471	5.293	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4F)c3C)C1=O)cn2C	ZINC000028182482	525599614	/nfs/dbraw/zinc/59/96/14/525599614.db2.gz	RNZYUJBZGAKCMM-ROTLSHHCSA-N	0	0	443.474	5.830	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C	ZINC000008992024	525600125	/nfs/dbraw/zinc/60/01/25/525600125.db2.gz	MZNFHAVAKVNQEW-KKMKTNMSSA-N	0	0	439.511	5.999	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cc(C)ccc4C)ccc3C1=O)cn2C	ZINC000028182474	525600355	/nfs/dbraw/zinc/60/03/55/525600355.db2.gz	MZNFHAVAKVNQEW-PPDIBHTLSA-N	0	0	439.511	5.999	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)C4CCCCC4)ccc3C1=O)cn2C	ZINC000009421052	525600849	/nfs/dbraw/zinc/60/08/49/525600849.db2.gz	CTPUORKZJJHVLL-WYMPLXKRSA-N	0	0	431.488	5.289	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccccc2Cl)C3=O)cc1	ZINC000013653818	525626108	/nfs/dbraw/zinc/62/61/08/525626108.db2.gz	IQGMRFWZLVWOJG-MTJSOVHGSA-N	0	0	426.877	5.032	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccc(F)cc2)cc1	ZINC000032828923	525628459	/nfs/dbraw/zinc/62/84/59/525628459.db2.gz	MUJFHYBDVPHPJZ-NRFANRHFSA-N	0	0	449.532	5.267	50	30		IKEARN
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3ccc(C)cc3)c3ccccc3C2=O)cc1	ZINC000011859495	525642155	/nfs/dbraw/zinc/64/21/55/525642155.db2.gz	KDPFSKFPHBXNGJ-YYDJUVGSSA-N	0	0	433.554	5.354	50	30		IKEARN
COc1ccc2ccccc2c1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O	ZINC000103721190	525649980	/nfs/dbraw/zinc/64/99/80/525649980.db2.gz	SGVZIVZKDURNPV-UHFFFAOYSA-N	0	0	448.559	6.334	50	30		IKEARN
Cc1ccc(S[C@@H](C(=O)c2ccccc2)[C@H](c2cccc([N+](=O)[O-])c2)C(C#N)C#N)cc1	ZINC000001446276	525665344	/nfs/dbraw/zinc/66/53/44/525665344.db2.gz	OEYYIIQKGKVDPR-ILBGXUMGSA-N	0	0	441.512	5.694	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc4c(c3)OCCO4)cc2[N+](=O)[O-])cc1	ZINC000015978900	525670941	/nfs/dbraw/zinc/67/09/41/525670941.db2.gz	FBAHZRWNPAFDAT-RUDMXATFSA-N	0	0	433.485	5.722	50	30		IKEARN
Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CO/N=C/c4ccc(Cl)cc4)nc3c12	ZINC000009341177	525678693	/nfs/dbraw/zinc/67/86/93/525678693.db2.gz	PKHLUYCZHLGVNA-LUOAPIJWSA-N	0	0	448.889	5.028	50	30		IKEARN
Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-]	ZINC000012363635	525743660	/nfs/dbraw/zinc/74/36/60/525743660.db2.gz	BEEOUECHRQGAQE-RGVLZGJSSA-N	0	0	447.232	5.214	50	30		IKEARN
COc1cccc(/C=C(\C(=O)c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3[nH]2)c1	ZINC000051065482	525759733	/nfs/dbraw/zinc/75/97/33/525759733.db2.gz	PWWXUHILWSNGJC-CPNJWEJPSA-N	0	0	444.487	5.021	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1OC	ZINC000009233753	525770550	/nfs/dbraw/zinc/77/05/50/525770550.db2.gz	CKXKNINAPHTSQP-NVNXTCNLSA-N	0	0	442.846	5.268	50	30		IKEARN
COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c1	ZINC000015945583	525776351	/nfs/dbraw/zinc/77/63/51/525776351.db2.gz	DDSPIASNYTWIRP-XTFCHBONSA-N	0	0	446.616	6.911	50	30		IKEARN
Cc1ccc(-c2csc3ncnc(N4CCN([C@H](C#N)c5ccc(F)cc5)CC4)c23)cc1	ZINC000023983742	525787590	/nfs/dbraw/zinc/78/75/90/525787590.db2.gz	XRKHPOPNBJWBCF-JOCHJYFZSA-N	0	0	443.551	5.193	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)o1	ZINC000016294216	525791345	/nfs/dbraw/zinc/79/13/45/525791345.db2.gz	OYBXZWOJWFPKQS-NIYFSFCBSA-N	0	0	443.499	5.286	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000001123567	525792889	/nfs/dbraw/zinc/79/28/89/525792889.db2.gz	CJXMQLAXIVLDAD-HFJWLAOPSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)o1	ZINC000000994451	525793683	/nfs/dbraw/zinc/79/36/83/525793683.db2.gz	YXYXZFJSIGFFCZ-RUZDIDTESA-N	0	0	426.516	6.045	50	30		IKEARN
Cc1ccsc1/C=C1\C(=O)c2c(cccc2Oc2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000012955562	525815442	/nfs/dbraw/zinc/81/54/42/525815442.db2.gz	HKTBNOQEZATRBJ-YVVITCHPSA-N	0	0	442.967	7.914	50	30		IKEARN
Cc1ccc(-c2nc(CSc3nc(C)c(C(=O)Nc4ccccc4)cc3C#N)no2)cc1	ZINC000012740043	525815693	/nfs/dbraw/zinc/81/56/93/525815693.db2.gz	DZFPANATXOADBJ-UHFFFAOYSA-N	0	0	441.516	5.165	50	30		IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C/c2cn(C)c4ccccc24)C3=O)c1	ZINC000009422899	525840252	/nfs/dbraw/zinc/84/02/52/525840252.db2.gz	ZPUAVDPMXCFVDC-ZMOGYAJESA-N	0	0	425.440	5.022	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009435171	525859881	/nfs/dbraw/zinc/85/98/81/525859881.db2.gz	KUGGIIYEUXJTCI-MHZLTWQESA-N	0	0	436.555	6.448	50	30		IKEARN
Cc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(Cl)cc2)cc1	ZINC000012955226	525892726	/nfs/dbraw/zinc/89/27/26/525892726.db2.gz	BYCZPNTYQSIVPT-BXVZCJGGSA-N	0	0	440.974	7.363	50	30		IKEARN
Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C/c2ccc(F)cc2)CCCC4)cc1	ZINC000012650676	525893942	/nfs/dbraw/zinc/89/39/42/525893942.db2.gz	NBKMCDZEAYWOJO-VULFUBBASA-N	0	0	432.524	5.220	50	30		IKEARN
Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nc3sc4c(c3c2=O)CCC4)c(C)c1	ZINC000012565635	525900916	/nfs/dbraw/zinc/90/09/16/525900916.db2.gz	GPDJPHKDSOAUJP-UHFFFAOYSA-N	0	0	443.597	5.717	50	30		IKEARN
C[C@@H](O[C@@H]1OCCN[C@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000085473519	525915743	/nfs/dbraw/zinc/91/57/43/525915743.db2.gz	AFBDSAJOMZYQAI-VQTKTOELSA-N	0	0	437.355	5.628	50	30		IKEARN
C[C@H](C#N)Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000009634395	525923730	/nfs/dbraw/zinc/92/37/30/525923730.db2.gz	FFZKFMIQVLCTMD-SNVBAGLBSA-N	0	0	443.281	6.264	50	30		IKEARN
Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1	ZINC000009805411	525961703	/nfs/dbraw/zinc/96/17/03/525961703.db2.gz	PGYRRRXXHPHWPZ-KHHYFDFNSA-N	0	0	443.597	6.385	50	30		IKEARN
Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1	ZINC000013512346	525965902	/nfs/dbraw/zinc/96/59/02/525965902.db2.gz	LRHQVCASSAFGHN-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3/c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000002092500	525970943	/nfs/dbraw/zinc/97/09/43/525970943.db2.gz	YWMICQGFRCHBFS-YZYICMKNSA-N	0	0	439.540	5.459	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccco2)C3)o1	ZINC000016294218	525982478	/nfs/dbraw/zinc/98/24/78/525982478.db2.gz	OYBXZWOJWFPKQS-BCHFMIIMSA-N	0	0	443.499	5.286	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000009113491	525983715	/nfs/dbraw/zinc/98/37/15/525983715.db2.gz	VVLLUTNDRUIFPM-HJPURHCSSA-N	0	0	441.618	5.679	50	30		IKEARN
Cc1cc(-c2ccc(C(=O)/C=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)o2)ccc1Cl	ZINC000012284809	526039941	/nfs/dbraw/zinc/03/99/41/526039941.db2.gz	XPTDZEAXBMLZNZ-JXMROGBWSA-N	0	0	433.847	6.973	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc4c(c2)OCO4)C3)s1	ZINC000000676841	526042600	/nfs/dbraw/zinc/04/26/00/526042600.db2.gz	HTMLOCJJKALHQD-PUAOIOHZSA-N	0	0	430.529	5.765	50	30		IKEARN
Cc1ccc([C@H]2[C@H](c3cccc([N+](=O)[O-])c3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)c(C)c1	ZINC000013510126	526046461	/nfs/dbraw/zinc/04/64/61/526046461.db2.gz	UFZFTJYRWWOMTM-QKDODKLFSA-N	0	0	446.510	6.111	50	30		IKEARN
COc1cccc(CO/N=C(/C)c2cc(-c3ccccc3)n(-c3ccc(F)cc3)c2C)c1	ZINC000035843365	526047418	/nfs/dbraw/zinc/04/74/18/526047418.db2.gz	JMZKNSPDSZCKBS-CEUNXORHSA-N	0	0	428.507	6.541	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCCC(C)C)nc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004793613	526047826	/nfs/dbraw/zinc/04/78/26/526047826.db2.gz	FYDPMVYWMHCHNX-LJQANCHMSA-N	0	0	437.609	5.417	50	30		IKEARN
CSc1ccc([C@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3C2(C#N)C#N)cc1	ZINC000012364931	526077187	/nfs/dbraw/zinc/07/71/87/526077187.db2.gz	LHQXQIFPZWYZJA-ZRBLBEILSA-N	0	0	427.573	5.551	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)n1	ZINC000008856936	526223020	/nfs/dbraw/zinc/22/30/20/526223020.db2.gz	HEDJFJCLBXRURC-HSZRJFAPSA-N	0	0	437.370	7.051	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(F)c(Cl)c2)o1	ZINC000036611448	526227068	/nfs/dbraw/zinc/22/70/68/526227068.db2.gz	MWRPCLKSQZDKTH-LSHDLFTRSA-N	0	0	432.864	5.107	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000021946993	526239555	/nfs/dbraw/zinc/23/95/55/526239555.db2.gz	AYHFYRCMZUUNLD-OHSXHVKISA-N	0	0	433.486	5.544	50	30		IKEARN
Cc1ccc(C(C)C)cc1CN1c2ccccc2[C@](O)(CC(=O)C=Cc2ccco2)C1=O	ZINC000009614542	526249884	/nfs/dbraw/zinc/24/98/84/526249884.db2.gz	BQKIQGPTTKVGSV-DBQZHCBRSA-N	0	0	429.516	5.118	50	30		IKEARN
O=C(C1CCCCC1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000012652123	526300085	/nfs/dbraw/zinc/30/00/85/526300085.db2.gz	BGINIRZEPREMEX-VWLOTQADSA-N	0	0	434.967	6.427	50	30		IKEARN
Oc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1	ZINC000016512874	526339532	/nfs/dbraw/zinc/33/95/32/526339532.db2.gz	LVKWHTBUOVAUNW-MFKUBSTISA-N	0	0	445.320	5.725	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1sc2c(c1-c1nc3ccccc3s1)CCCC2	ZINC000012600349	526354259	/nfs/dbraw/zinc/35/42/59/526354259.db2.gz	ZQZQYLXDMVCLNX-JFLMPSFJSA-N	0	0	440.593	7.513	50	30		IKEARN
Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(O)ccc3ccccc32)n1	ZINC000013305358	526354664	/nfs/dbraw/zinc/35/46/64/526354664.db2.gz	QLWCNNXOOXKHMZ-OGLMXYFKSA-N	0	0	432.483	5.821	50	30		IKEARN
S=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1	ZINC000012345187	526382696	/nfs/dbraw/zinc/38/26/96/526382696.db2.gz	WWMAYSUULSODGW-ZMOGYAJESA-N	0	0	430.360	5.893	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1	ZINC000239235537	526390072	/nfs/dbraw/zinc/39/00/72/526390072.db2.gz	WDDKZGKEVYQYHL-UHFFFAOYSA-N	0	0	441.343	6.215	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1	ZINC000252429458	526390359	/nfs/dbraw/zinc/39/03/59/526390359.db2.gz	QWNPCODHPVHDLX-UHFFFAOYSA-N	0	0	425.344	6.090	50	30		IKEARN
O=C(O/N=C/c1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2)c1C(F)(F)F	ZINC000002152981	526414236	/nfs/dbraw/zinc/41/42/36/526414236.db2.gz	COFYSGWPMSRRDE-YCPBAFNGSA-N	0	0	428.197	5.389	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000013563183	526429661	/nfs/dbraw/zinc/42/96/61/526429661.db2.gz	AKIZFOBIXPHFNG-ISJGIBHGSA-N	0	0	435.914	5.624	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccc(F)cc2F)[C@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@H]21	ZINC000020792750	526429718	/nfs/dbraw/zinc/42/97/18/526429718.db2.gz	DTKWICPHYBOMGE-GSLIJJQTSA-N	0	0	437.449	5.375	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21	ZINC000012524509	526430890	/nfs/dbraw/zinc/43/08/90/526430890.db2.gz	VUAKNUODZRBLQK-ZRBLBEILSA-N	0	0	441.943	5.686	50	30		IKEARN
O=C(Oc1ccccc1/C=N/c1cccc2ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000100816330	526447546	/nfs/dbraw/zinc/44/75/46/526447546.db2.gz	NBFSSJCVZYMBBL-MFKUBSTISA-N	0	0	441.399	5.626	50	30		IKEARN
N#CCCN(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1	ZINC000003268874	526450596	/nfs/dbraw/zinc/45/05/96/526450596.db2.gz	RQYCCRBKPZBASF-UHFFFAOYSA-N	0	0	441.512	5.067	50	30		IKEARN
N#CCCN(Cc1ccco1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1	ZINC000009257435	526458347	/nfs/dbraw/zinc/45/83/47/526458347.db2.gz	JAGHCMUIRDFKPT-UHFFFAOYSA-N	0	0	443.528	5.636	50	30		IKEARN
N#CCC[C@H](C#N)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1	ZINC000012558063	526464540	/nfs/dbraw/zinc/46/45/40/526464540.db2.gz	WVPXDRSKAKXGGJ-OAHLLOKOSA-N	0	0	432.940	5.605	50	30		IKEARN
N#CCSc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1	ZINC000012679132	526477537	/nfs/dbraw/zinc/47/75/37/526477537.db2.gz	CLDAPYQAJOSBJS-OAQYLSRUSA-N	0	0	425.604	5.011	50	30		IKEARN
N#C[C@@H](C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1	ZINC000013148085	526491257	/nfs/dbraw/zinc/49/12/57/526491257.db2.gz	NOZFJVJCQZHKGF-HXUWFJFHSA-N	0	0	434.540	5.558	50	30		IKEARN
N#Cc1c(NC(=O)CSc2ccc(F)cc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000022808317	526529552	/nfs/dbraw/zinc/52/95/52/526529552.db2.gz	IUIIFCOUVWCKOB-UHFFFAOYSA-N	0	0	437.565	5.048	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)cc1	ZINC000012546736	526581145	/nfs/dbraw/zinc/58/11/45/526581145.db2.gz	XMEQHWJGAIIOHA-UHFFFAOYSA-N	0	0	427.460	5.343	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)c3occc3CS(=O)(=O)c3ccccc3)cc2)cc1	ZINC000022019844	526581372	/nfs/dbraw/zinc/58/13/72/526581372.db2.gz	VEQGIZDEEJVLKT-UHFFFAOYSA-N	0	0	443.480	5.011	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2	ZINC000012565832	526635413	/nfs/dbraw/zinc/63/54/13/526635413.db2.gz	UIHAVGJLMIFGKQ-LJQDGHHOSA-N	0	0	448.950	5.232	50	30		IKEARN
N#Cc1ccc(Sc2c(Cl)cccc2Cl)c(NC(=O)c2cccc(Cl)c2)c1	ZINC000012338442	526686337	/nfs/dbraw/zinc/68/63/37/526686337.db2.gz	WCASRPXLXNVLPU-UHFFFAOYSA-N	0	0	433.747	6.922	50	30		IKEARN
N#Cc1cccc(CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)c1	ZINC000035840013	526711991	/nfs/dbraw/zinc/71/19/91/526711991.db2.gz	GXSPKVCZCOWHQU-UHFFFAOYSA-N	0	0	426.423	5.710	50	30		IKEARN
N#Cc1ccccc1CSCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1	ZINC000012784560	526739082	/nfs/dbraw/zinc/73/90/82/526739082.db2.gz	GNOXKSIUPGUOGS-UHFFFAOYSA-N	0	0	435.618	5.320	50	30		IKEARN
O=C(NCc1ccco1)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000019630055	526779463	/nfs/dbraw/zinc/77/94/63/526779463.db2.gz	QEZXMCVQMNVIHA-RWPZCVJISA-N	0	0	439.540	6.025	50	30		IKEARN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000012652239	526785656	/nfs/dbraw/zinc/78/56/56/526785656.db2.gz	CYTHPCXEIGZFQS-HHHXNRCGSA-N	0	0	434.495	6.254	50	30		IKEARN
O=C(c1ccccc1)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(Br)cc1	ZINC000001191442	526789447	/nfs/dbraw/zinc/78/94/47/526789447.db2.gz	GDSCIDHNTHTSNE-NRFANRHFSA-N	0	0	449.373	5.262	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2	ZINC000000681767	526798566	/nfs/dbraw/zinc/79/85/66/526798566.db2.gz	JRAKLIMXZQJKME-VWLOTQADSA-N	0	0	439.471	5.412	50	30		IKEARN
N=C(NOC(=O)Nc1csc(-c2cccc(Cl)c2Cl)n1)c1ccc(Cl)cc1	ZINC000012369686	526803093	/nfs/dbraw/zinc/80/30/93/526803093.db2.gz	GJUFYJAAFPZRTI-UHFFFAOYSA-N	0	0	441.727	5.639	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NCc1ccccc1	ZINC000021722002	526827059	/nfs/dbraw/zinc/82/70/59/526827059.db2.gz	BFLMFOCWSSBKTJ-AREMUKBSSA-N	0	0	443.572	5.045	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccs1)NC1CCCCC1	ZINC000021721996	526827066	/nfs/dbraw/zinc/82/70/66/526827066.db2.gz	UNHZBGQFDSEKHE-VWLOTQADSA-N	0	0	435.593	5.177	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(F)c1	ZINC000020503320	526827421	/nfs/dbraw/zinc/82/74/21/526827421.db2.gz	YQQHZCIANJHEGK-RUZDIDTESA-N	0	0	431.467	5.038	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1Cl	ZINC000020503271	526827436	/nfs/dbraw/zinc/82/74/36/526827436.db2.gz	IMRSGLGDIAWKDK-VWLOTQADSA-N	0	0	447.922	5.552	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccc(F)cc1	ZINC000021722057	526827586	/nfs/dbraw/zinc/82/75/86/526827586.db2.gz	XTHBDTKCZISFML-RUZDIDTESA-N	0	0	447.535	5.506	50	30		IKEARN
Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1csc(N=NCc2ccccc2)n1	ZINC000012369810	526843794	/nfs/dbraw/zinc/84/37/94/526843794.db2.gz	WQLGHLTWIUDPQB-AUEPDCJTSA-N	0	0	429.332	6.526	50	30		IKEARN
Cc1sc(NC=C2C(=O)c3ccccc3C2=O)nc1-c1ccc(Br)cc1	ZINC000002543499	526884243	/nfs/dbraw/zinc/88/42/43/526884243.db2.gz	FBAKSBKTAHQLEY-UHFFFAOYSA-N	0	0	425.307	5.256	50	30		IKEARN
Cc1sc2nc(C)nc(S[C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)c2c1C	ZINC000022168227	526890308	/nfs/dbraw/zinc/89/03/08/526890308.db2.gz	UYYYFIHBQCNOGK-CQSZACIVSA-N	0	0	428.558	5.183	50	30		IKEARN
Clc1ccc(-c2nc3ccccc3c(N=NCc3ccccc3Cl)n2)c(Cl)c1	ZINC000012436811	526936560	/nfs/dbraw/zinc/93/65/60/526936560.db2.gz	JUWMZIITMIZIJU-BRJLIKDPSA-N	0	0	427.722	6.703	50	30		IKEARN
O=C1/C(=C/c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(-c2ccccc2Cl)o1	ZINC000051364650	526939725	/nfs/dbraw/zinc/93/97/25/526939725.db2.gz	OAQYHCADWPXUEV-BBKMRNEJSA-N	0	0	442.924	5.974	50	30		IKEARN
O=C1/C(=C/c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000012393133	526941687	/nfs/dbraw/zinc/94/16/87/526941687.db2.gz	QLBBFNNDICRPKB-KKOPTWAASA-N	0	0	439.540	5.720	50	30		IKEARN
O=C(CON=C1c2ccccc2-c2ccccc21)N(CCc1ccccc1)Cc1ccccc1	ZINC000003312519	526942551	/nfs/dbraw/zinc/94/25/51/526942551.db2.gz	GAZLXGGVIMARNH-UHFFFAOYSA-N	0	0	446.550	5.708	50	30		IKEARN
O=C1/C(=N\c2cccc(Cl)c2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1	ZINC000057264244	526949978	/nfs/dbraw/zinc/94/99/78/526949978.db2.gz	ZZPGKIUZHMCSCO-WCTVFOPTSA-N	0	0	443.978	5.720	50	30		IKEARN
Clc1ccc(CON=C(CSc2ccccc2)CSc2ccccc2)cc1Cl	ZINC000012960452	526950438	/nfs/dbraw/zinc/95/04/38/526950438.db2.gz	KRGDETYZOJIKCM-UHFFFAOYSA-N	0	0	448.440	7.451	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl	ZINC000001079880	526967886	/nfs/dbraw/zinc/96/78/86/526967886.db2.gz	DEMUMECVKQQPIA-GFCCVEGCSA-N	0	0	436.758	5.692	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1cccs1)N(S(=O)(=O)c1ccccc1)c1ccccc1N2	ZINC000021722849	526968609	/nfs/dbraw/zinc/96/86/09/526968609.db2.gz	JAXVMSWGKWXILJ-HSZRJFAPSA-N	0	0	436.558	5.117	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C/c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21	ZINC000069351888	527023504	/nfs/dbraw/zinc/02/35/04/527023504.db2.gz	TZAOISQLDLBPLV-NTCAYCPXSA-N	0	0	444.328	5.864	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3cccc(Cl)c3)C12	ZINC000009546523	527024165	/nfs/dbraw/zinc/02/41/65/527024165.db2.gz	LDLXGEDURBQYLF-NPMXOYFQSA-N	0	0	431.948	6.167	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000018195189	527024979	/nfs/dbraw/zinc/02/49/79/527024979.db2.gz	XMGNDLKGRYGTTB-MQNRADLISA-N	0	0	440.524	5.834	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1	ZINC000006473696	527043136	/nfs/dbraw/zinc/04/31/36/527043136.db2.gz	AJKYOJCZUDFUEE-PDGQHHTCSA-N	0	0	425.307	5.601	50	30		IKEARN
O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	ZINC000009296698	527043631	/nfs/dbraw/zinc/04/36/31/527043631.db2.gz	HNZGPYSFIOWBMD-WOJGMQOQSA-N	0	0	448.853	6.510	50	30		IKEARN
O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccc(O)cc1	ZINC000012630857	527043763	/nfs/dbraw/zinc/04/37/63/527043763.db2.gz	OKAFQPQYKNPOSU-BOPFTXTBSA-N	0	0	430.316	5.381	50	30		IKEARN
O=C1Nc2ccccc2/C1=N/c1ccc(-c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)cc1	ZINC000017723987	527090659	/nfs/dbraw/zinc/09/06/59/527090659.db2.gz	CRYBAWINATWOBV-UHFFFAOYSA-N	0	0	442.478	5.499	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1c(F)c(F)c(F)c(F)c1F	ZINC000059596172	527103603	/nfs/dbraw/zinc/10/36/03/527103603.db2.gz	NEZAABBDUZRVFR-UHFFFAOYSA-N	0	0	438.318	5.644	50	30		IKEARN
NC(=S)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	ZINC000009311145	527110476	/nfs/dbraw/zinc/11/04/76/527110476.db2.gz	WBXNYLOYWSIGBV-JVWAILMASA-N	0	0	430.964	5.632	50	30		IKEARN
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@@H](C)CC#N	ZINC000065453319	527114095	/nfs/dbraw/zinc/11/40/95/527114095.db2.gz	PDGJUPCHBQIGPX-INIZCTEOSA-N	0	0	443.576	5.465	50	30		IKEARN
Cc1nc2cc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1	ZINC000103633880	527114276	/nfs/dbraw/zinc/11/42/76/527114276.db2.gz	QHPDNENGOCDLED-ZMOGYAJESA-N	0	0	449.308	5.814	50	30		IKEARN
Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccccc1S[C@H](C)CC#N	ZINC000065453322	527115197	/nfs/dbraw/zinc/11/51/97/527115197.db2.gz	PDGJUPCHBQIGPX-MRXNPFEDSA-N	0	0	443.576	5.465	50	30		IKEARN
O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1cccc(Br)c1	ZINC000009577157	527122017	/nfs/dbraw/zinc/12/20/17/527122017.db2.gz	ZAALHXJBDMNOMY-ZYPUKPEJSA-N	0	0	433.301	6.158	50	30		IKEARN
O=C1c2ccc(OCc3ccc(F)cc3Cl)cc2O/C1=C\C1=Cc2ccccc2OC1	ZINC000002358720	527122948	/nfs/dbraw/zinc/12/29/48/527122948.db2.gz	IOHCJJOILLWQBU-VROXFSQNSA-N	0	0	434.850	5.993	50	30		IKEARN
O=C1c2ccc3c(c2O/C1=C\c1ccc(-c2ccccc2)cc1)CN(Cc1cccnc1)CO3	ZINC000041660938	527124083	/nfs/dbraw/zinc/12/40/83/527124083.db2.gz	PXOKXSYHPPLXLI-DICXZTSXSA-N	0	0	446.506	5.717	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2cccc(F)c2)c(Br)c1	ZINC000001152268	527128240	/nfs/dbraw/zinc/12/82/40/527128240.db2.gz	KMAYFHYAGXSBSF-UHFFFAOYSA-N	0	0	437.264	5.630	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3ccc(Cc4ccccc4)cc3)C12	ZINC000002205721	527132581	/nfs/dbraw/zinc/13/25/81/527132581.db2.gz	XKKXPGMMSLTORG-LJAQVGFWSA-N	0	0	431.560	7.144	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2	ZINC000005110446	527132682	/nfs/dbraw/zinc/13/26/82/527132682.db2.gz	RYVDBLNLUOGLOD-NYHFZMIOSA-N	0	0	427.887	5.628	50	30		IKEARN
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccccc1	ZINC000011617295	527133286	/nfs/dbraw/zinc/13/32/86/527133286.db2.gz	YXBIJBVXZZGCDK-NTCAYCPXSA-N	0	0	428.329	6.869	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc3c(c1)OCO3)N=C(SCc1cccc(F)c1)N2	ZINC000012961042	527133425	/nfs/dbraw/zinc/13/34/25/527133425.db2.gz	CCTSFIVBCFLRCI-QFIPXVFZSA-N	0	0	444.487	5.096	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000008973174	527133433	/nfs/dbraw/zinc/13/34/33/527133433.db2.gz	LGCLOXHLFLSDOV-UUOWRZLLSA-N	0	0	437.926	6.035	50	30		IKEARN
O=C1c2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000013563282	527136142	/nfs/dbraw/zinc/13/61/42/527136142.db2.gz	ZSBCAFVMOKKWIF-KSEXSDGBSA-N	0	0	436.363	7.326	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C\c1ccnc2ccccc12	ZINC000096134083	527139406	/nfs/dbraw/zinc/13/94/06/527139406.db2.gz	QYNPXBBHIZVBNV-KAMYIIQDSA-N	0	0	434.926	7.308	50	30		IKEARN
O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1ccc(Cl)cc1	ZINC000020575849	527139566	/nfs/dbraw/zinc/13/95/66/527139566.db2.gz	OHZVITPVEMTJFD-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C\c1ccc2c(c1)OCO2	ZINC000096298496	527156592	/nfs/dbraw/zinc/15/65/92/527156592.db2.gz	JEEMAYIDKRNHOD-SDQBBNPISA-N	0	0	427.887	6.488	50	30		IKEARN
O=S(=O)(/N=C(/SCc1ccc(Cl)cc1)c1ccccc1)c1ccc(F)cc1F	ZINC000012574679	527158227	/nfs/dbraw/zinc/15/82/27/527158227.db2.gz	SXONEZBZDKXDQY-HIXSDJFHSA-N	0	0	437.920	5.687	50	30		IKEARN
O=S(=O)(N=C(Nc1ccc(Br)cc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000012378370	527159765	/nfs/dbraw/zinc/15/97/65/527159765.db2.gz	CSBPZKHYKJIDLI-UHFFFAOYSA-N	0	0	449.757	5.350	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1	ZINC000002209710	527180498	/nfs/dbraw/zinc/18/04/98/527180498.db2.gz	FOPDCUVSFHWKBE-HZYJKNPPSA-N	0	0	435.936	5.505	50	30		IKEARN
O=S(=O)(Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1	ZINC000100407586	527262558	/nfs/dbraw/zinc/26/25/58/527262558.db2.gz	AFQMTHNCLKGKTP-DHRITJCHSA-N	0	0	439.842	5.877	50	30		IKEARN
O=[N+]([O-])c1cc(Br)ccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1	ZINC000019637650	527327840	/nfs/dbraw/zinc/32/78/40/527327840.db2.gz	CKYKJNHZXUQIOE-KEBDBYFISA-N	0	0	443.282	5.673	50	30		IKEARN
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc(-c3nc4c(ccc5ccccc45)o3)cc1)OCO2	ZINC000100506491	527341486	/nfs/dbraw/zinc/34/14/86/527341486.db2.gz	TWAVKWDMAPYKRF-LGJNPRDNSA-N	0	0	437.411	6.036	50	30		IKEARN
O=C(Nc1cccc(Cl)c1)[C@H]1CC(=O)N(c2ccccc2)/C(=N/c2ccccc2)S1	ZINC000002232337	527342338	/nfs/dbraw/zinc/34/23/38/527342338.db2.gz	CFLWGKJVMIGWKM-HZYJKNPPSA-N	0	0	435.936	5.505	50	30		IKEARN
O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008781732	527344937	/nfs/dbraw/zinc/34/49/37/527344937.db2.gz	NKAJMJNCVXJYNQ-KOYYFNRMSA-N	0	0	436.895	5.852	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)c1	ZINC000100501559	527383390	/nfs/dbraw/zinc/38/33/90/527383390.db2.gz	SVVNCOSUAMKAGP-KMNHIJHVSA-N	0	0	448.276	6.581	50	30		IKEARN
O=C(Nc1ccccc1Cl)O/N=C1\CCCC[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008857168	527417386	/nfs/dbraw/zinc/41/73/86/527417386.db2.gz	BOZHKOACNZJEFC-UAHGDZPKSA-N	0	0	432.820	5.419	50	30		IKEARN
O=C(Nc1c(=O)oc2ccccc2c1NCc1ccccc1)c1ccccc1Br	ZINC000020522755	527498954	/nfs/dbraw/zinc/49/89/54/527498954.db2.gz	PHGCJOIQEQFULD-UHFFFAOYSA-N	0	0	449.304	5.804	50	30		IKEARN
O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(-c2ccccc2)cc1	ZINC000001885000	527531387	/nfs/dbraw/zinc/53/13/87/527531387.db2.gz	PCFRITRUBLQUIW-CIAFOILYSA-N	0	0	435.490	5.178	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccccc2Cl)nc1-c1cccs1)c1ccco1	ZINC000009223177	527539559	/nfs/dbraw/zinc/53/95/59/527539559.db2.gz	ILBVKKWYSNNHNE-SRZZPIQSSA-N	0	0	428.926	5.816	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2	ZINC000021658684	527553693	/nfs/dbraw/zinc/55/36/93/527553693.db2.gz	IEMLITWKPKFISU-NRFANRHFSA-N	0	0	434.337	5.508	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018199736	527554065	/nfs/dbraw/zinc/55/40/65/527554065.db2.gz	BSZSZVHMRDROBO-HOYKHHGWSA-N	0	0	438.556	5.595	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1[C@H](c1c(C)cc(C)cc1C)C1C(=O)c3ccccc3C1=N2	ZINC000013121865	527567326	/nfs/dbraw/zinc/56/73/26/527567326.db2.gz	RJYBIBFTTKYBOH-DEOSSOPVSA-N	0	0	432.527	5.666	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1[C@H](c1c(F)cccc1Cl)C1C(=O)c3ccccc3C1=N2	ZINC000013122144	527568207	/nfs/dbraw/zinc/56/82/07/527568207.db2.gz	VAYGHDRGUSXLBB-OAQYLSRUSA-N	0	0	442.881	5.533	50	30		IKEARN
Cc1nn(-c2nc3ccccc3s2)c2c1[C@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012589291	527571280	/nfs/dbraw/zinc/57/12/80/527571280.db2.gz	GIVACYCDGIYMJO-ZHRRBRCNSA-N	0	0	444.604	6.299	50	30		IKEARN
O=C(COc1cc(Cl)ccc1Cl)Nc1n[nH]c(-c2ccccc2Br)n1	ZINC000012784193	527587770	/nfs/dbraw/zinc/58/77/70/527587770.db2.gz	GIDOCHYAAIWRIR-UHFFFAOYSA-N	0	0	442.100	5.208	50	30		IKEARN
O/N=C(\c1ccccc1)[C@]1(c2ccccc2)CCC(c2ccccc2)=C(c2ccccc2)O1	ZINC000071767274	527590150	/nfs/dbraw/zinc/59/01/50/527590150.db2.gz	SCLPXTHLYLDYNO-VEZPTTSMSA-N	0	0	431.535	7.139	50	30		IKEARN
O=C(/C(=C\c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000034772682	527590684	/nfs/dbraw/zinc/59/06/84/527590684.db2.gz	TXKFZDXZMNXYKN-NCELDCMTSA-N	0	0	430.507	6.565	50	30		IKEARN
O=C(/C(=C\c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1	ZINC000050647600	527591219	/nfs/dbraw/zinc/59/12/19/527591219.db2.gz	LAMHXVFJKLZVQF-FOWTUZBSSA-N	0	0	439.259	6.027	50	30		IKEARN
O=C(/C=C/c1ccc(COc2ccc3c(c2)CCC3)o1)c1ccc(Cc2ccccc2)s1	ZINC000036611169	527605663	/nfs/dbraw/zinc/60/56/63/527605663.db2.gz	KHGLPLOZAIJRQG-FYWRMAATSA-N	0	0	440.564	6.896	50	30		IKEARN
O=C(/C=C/c1ccc(COc2ccccc2Br)o1)C12CC3CC(CC(C3)C1)C2	ZINC000036611158	527606650	/nfs/dbraw/zinc/60/66/50/527606650.db2.gz	KCOGYQPRQBOSCW-BQYQJAHWSA-N	0	0	441.365	6.420	50	30		IKEARN
O=C(/C=C/c1ccc(Cl)cc1)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1	ZINC000002702091	527608338	/nfs/dbraw/zinc/60/83/38/527608338.db2.gz	PXKFENJIEIHTFH-ASNDZTLUSA-N	0	0	429.825	6.728	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccc(C)cc1	ZINC000032972319	527627137	/nfs/dbraw/zinc/62/71/37/527627137.db2.gz	PFSPAYQZGIUMQZ-UHFFFAOYSA-N	0	0	431.584	5.041	50	30		IKEARN
O=C(/C=C/c1ccccc1Cl)c1cc(Br)ccc1OC(=O)c1ccco1	ZINC000009019336	527635367	/nfs/dbraw/zinc/63/53/67/527635367.db2.gz	YRDUOAPDUSVMOY-VQHVLOKHSA-N	0	0	431.669	5.811	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1cccs1	ZINC000012564689	527646470	/nfs/dbraw/zinc/64/64/70/527646470.db2.gz	BBKYVZZVKUFMFO-JLHYYAGUSA-N	0	0	435.346	6.259	50	30		IKEARN
O=C(/C=C\c1ccc(/C=C\C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21	ZINC000090624120	527653709	/nfs/dbraw/zinc/65/37/09/527653709.db2.gz	FRJUSNJBEHTICZ-WRBBJXAJSA-N	0	0	438.526	7.785	50	30		IKEARN
O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(OC(F)F)cc1	ZINC000033498963	527655689	/nfs/dbraw/zinc/65/56/89/527655689.db2.gz	HNMSPUKYADLJPH-TYULJFPZSA-N	0	0	429.350	6.024	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H]1SC2c3ccccc3C1c1ccccc12	ZINC000102579512	527661627	/nfs/dbraw/zinc/66/16/27/527661627.db2.gz	QJNFXQRNAOKHEU-NRXISQOPSA-N	0	0	442.346	6.805	50	30		IKEARN
FC(F)(F)c1cc(Cl)nc(N=C(Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)c1	ZINC000091695329	527680639	/nfs/dbraw/zinc/68/06/39/527680639.db2.gz	OZPYBTHMJRGNQG-UHFFFAOYSA-N	0	0	444.671	7.251	50	30		IKEARN
FC(F)(F)c1ccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1	ZINC000009310383	527680939	/nfs/dbraw/zinc/68/09/39/527680939.db2.gz	ZERKWEGESSOBPJ-JFLMPSFJSA-N	0	0	449.440	5.824	50	30		IKEARN
FC(F)(F)c1cccc(Nc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1	ZINC000095691960	527686305	/nfs/dbraw/zinc/68/63/05/527686305.db2.gz	BVMKDTQJUXTKIQ-UHFFFAOYSA-N	0	0	425.254	6.430	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000000626571	555512874	/nfs/dbraw/zinc/51/28/74/555512874.db2.gz	RTRJDKRKYJMMAP-LJQANCHMSA-N	0	0	432.358	5.005	50	30		IKEARN
O=C1CCCC2=C1C(c1cccc(OCc3cccc(Cl)c3)c1)C1=C(CCCC1=O)N2	ZINC000000627358	555513101	/nfs/dbraw/zinc/51/31/01/555513101.db2.gz	PCROZHCHPDJYDK-UHFFFAOYSA-N	0	0	433.935	5.620	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(OCc2cccc(Cl)c2)c1	ZINC000000627338	555513180	/nfs/dbraw/zinc/51/31/80/555513180.db2.gz	XFRREFHWGGKXDH-QHCPKHFHSA-N	0	0	437.923	5.060	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2cccc(Cl)c2)o1	ZINC000000629453	555513955	/nfs/dbraw/zinc/51/39/55/555513955.db2.gz	MIPQXBIRHIEEEJ-JOCHJYFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1	ZINC000000629407	555514043	/nfs/dbraw/zinc/51/40/43/555514043.db2.gz	PEGPZEMWPWLVTF-QFIPXVFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(N(C)C)cc2)cc1	ZINC000000630710	555514568	/nfs/dbraw/zinc/51/45/68/555514568.db2.gz	LYLCHAAMYDNCQX-NGOKVRLYSA-N	0	0	439.559	5.741	50	30		IKEARN
Cc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1	ZINC000000632828	555515510	/nfs/dbraw/zinc/51/55/10/555515510.db2.gz	DXESXQRWYVRBGH-UHFFFAOYSA-N	0	0	429.560	6.228	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc21	ZINC000000666959	555528974	/nfs/dbraw/zinc/52/89/74/555528974.db2.gz	XQSQMDZQANDGKB-KDYSTLNUSA-N	0	0	437.539	5.765	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000000666738	555528990	/nfs/dbraw/zinc/52/89/90/555528990.db2.gz	TZHQCUTUDAQUHL-HFZDXXHNSA-N	0	0	445.559	5.256	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc2ccccc21	ZINC000000666967	555529006	/nfs/dbraw/zinc/52/90/06/555529006.db2.gz	XQSQMDZQANDGKB-JIPXPUAJSA-N	0	0	437.539	5.765	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)C)cc1	ZINC000000668291	555529912	/nfs/dbraw/zinc/52/99/12/555529912.db2.gz	SSFNBGIQQXYZPA-SANMLTNESA-N	0	0	432.564	6.027	50	30		IKEARN
O=C(c1ccccc1)c1ccc2c(c1)NC1=C(C(=O)CCC1)[C@@H](c1ccc([N+](=O)[O-])cc1)N2	ZINC000000669917	555530440	/nfs/dbraw/zinc/53/04/40/555530440.db2.gz	USBCNMJGJPYFFK-RUZDIDTESA-N	0	0	439.471	5.412	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1O[C@@H](C)CC	ZINC000000671960	555531668	/nfs/dbraw/zinc/53/16/68/555531668.db2.gz	BELHMXOTTYPSEN-MYUZEXMDSA-N	0	0	446.591	6.417	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC	ZINC000000681095	555537437	/nfs/dbraw/zinc/53/74/37/555537437.db2.gz	MPKRNEJXJDFNLB-RUZDIDTESA-N	0	0	447.962	6.820	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1	ZINC000000681885	555537686	/nfs/dbraw/zinc/53/76/86/555537686.db2.gz	FZOQITOWFUELIN-PZGXJGMVSA-N	0	0	438.571	6.798	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C(C)C)cc2)cc1	ZINC000000681883	555537713	/nfs/dbraw/zinc/53/77/13/555537713.db2.gz	FZOQITOWFUELIN-KPURRNSFSA-N	0	0	438.571	6.798	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccccc1OCC(N)=O	ZINC000000684839	555539467	/nfs/dbraw/zinc/53/94/67/555539467.db2.gz	JHFCDXVXPJCLHW-SANMLTNESA-N	0	0	426.516	5.013	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(F)(F)F)cc1	ZINC000000688808	555541293	/nfs/dbraw/zinc/54/12/93/555541293.db2.gz	RBSIDMDQXNRZGZ-HSZRJFAPSA-N	0	0	442.481	6.258	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2ccc(C(C)C)cc2)s1	ZINC000000702437	555543402	/nfs/dbraw/zinc/54/34/02/555543402.db2.gz	WTPSFZPLVCHCAL-NRFANRHFSA-N	0	0	447.560	5.370	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000707154	555545334	/nfs/dbraw/zinc/54/53/34/555545334.db2.gz	RYIPGNDNIOHWRE-XMMPIXPASA-N	0	0	433.935	6.517	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)Nc1ccccc1N2	ZINC000000709462	555546456	/nfs/dbraw/zinc/54/64/56/555546456.db2.gz	KFDGLDPNDVLWLR-IVCQMTBJSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2	ZINC000000709498	555546471	/nfs/dbraw/zinc/54/64/71/555546471.db2.gz	KMNOZBRXYDIKND-AVRWGWEMSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2	ZINC000000709466	555546548	/nfs/dbraw/zinc/54/65/48/555546548.db2.gz	HBJPZHCWYVMFSK-CPJLOUKISA-N	0	0	445.906	6.228	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC	ZINC000000709639	555546840	/nfs/dbraw/zinc/54/68/40/555546840.db2.gz	YSPATPBMNCXEOI-DWXRJYCRSA-N	0	0	427.504	5.078	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1OC	ZINC000000709948	555546854	/nfs/dbraw/zinc/54/68/54/555546854.db2.gz	HILUGRDIMXMNKP-PUAOIOHZSA-N	0	0	432.545	5.745	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000000709776	555546897	/nfs/dbraw/zinc/54/68/97/555546897.db2.gz	KKFOCULDYZFJPV-DNOBIOAJSA-N	0	0	434.495	5.773	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O	ZINC000000710626	555547040	/nfs/dbraw/zinc/54/70/40/555547040.db2.gz	FDVXNNIFAZBQQL-QLXKLKPCSA-N	0	0	442.515	5.389	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000710779	555547090	/nfs/dbraw/zinc/54/70/90/555547090.db2.gz	WUMXPTFQJQQTPD-CMJOXMDJSA-N	0	0	440.490	6.746	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000000710571	555547172	/nfs/dbraw/zinc/54/71/72/555547172.db2.gz	NOPGTQHGCKXWIJ-XMMPIXPASA-N	0	0	433.523	5.216	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000000714061	555547997	/nfs/dbraw/zinc/54/79/97/555547997.db2.gz	PRXHHVROIKDXSY-MHZLTWQESA-N	0	0	427.544	6.557	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC	ZINC000000720130	555549702	/nfs/dbraw/zinc/54/97/02/555549702.db2.gz	SUQRXGNRUNKAAR-OYLFLEFRSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O	ZINC000000720494	555549742	/nfs/dbraw/zinc/54/97/42/555549742.db2.gz	ALLHTRHSEXYSHK-DXPJPUQTSA-N	0	0	446.934	6.034	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)c(OC)c1	ZINC000000720527	555549783	/nfs/dbraw/zinc/54/97/83/555549783.db2.gz	GFHWUBIEAVZQDB-ODCWNRFASA-N	0	0	432.545	5.745	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2OC(C)C)C2=C(CC(C)(C)CC2=O)N1	ZINC000000726637	555551618	/nfs/dbraw/zinc/55/16/18/555551618.db2.gz	PHDZSSBNSAVARJ-DEOSSOPVSA-N	0	0	437.580	5.564	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781299	555555119	/nfs/dbraw/zinc/55/51/19/555555119.db2.gz	CYRJXPPPAOQGQD-HXOBKFHXSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781243	555555203	/nfs/dbraw/zinc/55/52/03/555555203.db2.gz	CTKAJFWUYWTFMS-BXKMTCNYSA-N	0	0	449.572	5.301	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC(C)=O	ZINC000000793482	555557727	/nfs/dbraw/zinc/55/77/27/555557727.db2.gz	MKWYUHYBWXUTCR-HHHXNRCGSA-N	0	0	441.527	6.083	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1	ZINC000000812866	555560819	/nfs/dbraw/zinc/56/08/19/555560819.db2.gz	QSTWRMPTFOQGTR-WGDIFIGCSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000000812846	555560851	/nfs/dbraw/zinc/56/08/51/555560851.db2.gz	WDIGNQZYAIJBOV-DNOBIOAJSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)c(F)c2)cc1	ZINC000000812864	555560907	/nfs/dbraw/zinc/56/09/07/555560907.db2.gz	QSTWRMPTFOQGTR-MRDQGFSESA-N	0	0	432.470	5.953	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(Cl)c1O	ZINC000000812929	555561070	/nfs/dbraw/zinc/56/10/70/555561070.db2.gz	OSQNVTKXOKFBHH-CPJLOUKISA-N	0	0	446.934	6.034	50	30	in-vitro	IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1O	ZINC000000815819	555562059	/nfs/dbraw/zinc/56/20/59/555562059.db2.gz	ZUFFGJVOIPXCQQ-XHCCPWGMSA-N	0	0	426.516	5.689	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O	ZINC000000815826	555562069	/nfs/dbraw/zinc/56/20/69/555562069.db2.gz	MMOUQZPPZBBYDD-UZTOHYMASA-N	0	0	426.516	5.689	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)c1OC	ZINC000000815787	555562141	/nfs/dbraw/zinc/56/21/41/555562141.db2.gz	NOXGFUIHZRXLNU-PPHZAIPVSA-N	0	0	440.543	5.992	50	30		IKEARN
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)ccc1O	ZINC000000857616	555571709	/nfs/dbraw/zinc/57/17/09/555571709.db2.gz	SNUMIEZPTBRLEA-VWLOTQADSA-N	0	0	434.536	5.344	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-]	ZINC000000861116	555572306	/nfs/dbraw/zinc/57/23/06/555572306.db2.gz	MBGAFOVYUZEWKC-AFMDSPMNSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000000861122	555572350	/nfs/dbraw/zinc/57/23/50/555572350.db2.gz	FLWSURSIFHMWID-WGDIFIGCSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000000861344	555572416	/nfs/dbraw/zinc/57/24/16/555572416.db2.gz	FAGKBBGHAXKAHP-QLXKLKPCSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3)cc1)Nc1ccc3ncccc3c12	ZINC000000869996	555575029	/nfs/dbraw/zinc/57/50/29/555575029.db2.gz	RWPGUUJGDRLQDU-LJAQVGFWSA-N	0	0	432.523	6.487	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(C)o1	ZINC000000872435	555575570	/nfs/dbraw/zinc/57/55/70/555575570.db2.gz	IGNKQYZXOGECOQ-PPHZAIPVSA-N	0	0	426.516	5.899	50	30		IKEARN
Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@H](c3ccccc3)C4)c(=O)c2c1	ZINC000000883185	555578150	/nfs/dbraw/zinc/57/81/50/555578150.db2.gz	WJFKHABEGSLKLN-WHLCRQNOSA-N	0	0	448.522	6.081	50	30	biogenic	IKEARN
CC1(C)CC(=O)C(Sc2ccc(Br)cc2)=C(OC(=O)c2cccs2)C1	ZINC000000955233	555590000	/nfs/dbraw/zinc/59/00/00/555590000.db2.gz	LUDZTKJEVZBZKP-UHFFFAOYSA-N	0	0	437.380	6.060	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\C)N(C)C2=O)ccc1OCc1ccc2ccccc2c1	ZINC000000977382	555592619	/nfs/dbraw/zinc/59/26/19/555592619.db2.gz	FFBCYWJTOBHJQY-HUOZHCEOSA-N	0	0	432.545	5.349	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	ZINC000001010073	555601657	/nfs/dbraw/zinc/60/16/57/555601657.db2.gz	DXFSOTSALOYCFM-NRFANRHFSA-N	0	0	449.963	5.556	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1O	ZINC000001014350	555602462	/nfs/dbraw/zinc/60/24/62/555602462.db2.gz	KDRHSIVWJBNKAY-AUERHCTOSA-N	0	0	430.529	5.248	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001022100	555603680	/nfs/dbraw/zinc/60/36/80/555603680.db2.gz	JMIPJZLQDGJHKC-HRFSGMKKSA-N	0	0	442.559	5.319	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(=O)n(-c2ccccc2)n1C	ZINC000001051624	555613311	/nfs/dbraw/zinc/61/33/11/555613311.db2.gz	WXZMMTCSIVQCDX-DHRITJCHSA-N	0	0	426.303	5.802	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001070616	555620791	/nfs/dbraw/zinc/62/07/91/555620791.db2.gz	VPXIKURZVDVKSA-ZHRRBRCNSA-N	0	0	441.980	5.715	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001070620	555621189	/nfs/dbraw/zinc/62/11/89/555621189.db2.gz	VPXIKURZVDVKSA-KSFYIVLOSA-N	0	0	441.980	5.715	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001077211	555624619	/nfs/dbraw/zinc/62/46/19/555624619.db2.gz	RBQJCXIQDJZMJG-HRFSGMKKSA-N	0	0	426.585	6.696	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1	ZINC000001082103	555626230	/nfs/dbraw/zinc/62/62/30/555626230.db2.gz	KCENSAJUJSBWMW-MBSDFSHPSA-N	0	0	436.939	5.048	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Br)cc1)Nc1ccccc1N2	ZINC000001082742	555626280	/nfs/dbraw/zinc/62/62/80/555626280.db2.gz	UXDRVWWJZZMUSG-IQGLISFBSA-N	0	0	445.360	6.429	50	30		IKEARN
Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000001084148	555626283	/nfs/dbraw/zinc/62/62/83/555626283.db2.gz	IASDRNVNEONLOG-VWLOTQADSA-N	0	0	425.532	5.482	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107162	555629592	/nfs/dbraw/zinc/62/95/92/555629592.db2.gz	RFRLKHBOFUCJLI-SSOJOUAXSA-N	0	0	445.906	6.228	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccccc1C(F)(F)F	ZINC000001127603	555642002	/nfs/dbraw/zinc/64/20/02/555642002.db2.gz	ALEVSAGTMVIFJA-XCLFUZPHSA-N	0	0	447.478	5.302	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3Cl)nc1N2	ZINC000001129493	555643697	/nfs/dbraw/zinc/64/36/97/555643697.db2.gz	ZZLWRRCVJBKGIH-IBGZPJMESA-N	0	0	449.963	5.692	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1cccc(C(F)(F)F)c1	ZINC000001132837	555645693	/nfs/dbraw/zinc/64/56/93/555645693.db2.gz	OAGBZAFLRCGTBD-BTYIYWSLSA-N	0	0	445.437	5.223	50	30		IKEARN
CCN1C2=C(C(=O)CCC2)C(c2ccc(OCc3ccc(C)cc3)cc2)C2=C1CCCC2=O	ZINC000001156465	555659001	/nfs/dbraw/zinc/65/90/01/555659001.db2.gz	LCDNYASJCQHRDC-UHFFFAOYSA-N	0	0	441.571	6.007	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1	ZINC000001169149	555665664	/nfs/dbraw/zinc/66/56/64/555665664.db2.gz	FKPFCSCWKNADTB-UHFFFAOYSA-N	0	0	445.721	6.309	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)Nc2cccc(F)c2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000001174796	555669249	/nfs/dbraw/zinc/66/92/49/555669249.db2.gz	TUNPVMHUQVHRPP-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	ZINC000001175589	555669500	/nfs/dbraw/zinc/66/95/00/555669500.db2.gz	PHUCGVPECAHFDE-NRFANRHFSA-N	0	0	428.866	5.225	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1	ZINC000001184396	555673409	/nfs/dbraw/zinc/67/34/09/555673409.db2.gz	BQEAGWNBPANOMQ-AOMKIAJQSA-N	0	0	439.602	5.395	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001184783	555673422	/nfs/dbraw/zinc/67/34/22/555673422.db2.gz	XXKWQIVCAMYFML-UZUQRXQVSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(O)c1	ZINC000001197097	555677286	/nfs/dbraw/zinc/67/72/86/555677286.db2.gz	AGZTXHSFHYTNJZ-HXUWFJFHSA-N	0	0	430.426	5.098	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1cccc(O)c1	ZINC000001197099	555677300	/nfs/dbraw/zinc/67/73/00/555677300.db2.gz	AGZTXHSFHYTNJZ-FQEVSTJZSA-N	0	0	430.426	5.098	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202510	555679124	/nfs/dbraw/zinc/67/91/24/555679124.db2.gz	JEBIZTUAMZAJHH-RLWLMLJZSA-N	0	0	427.544	5.534	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000001204416	555680025	/nfs/dbraw/zinc/68/00/25/555680025.db2.gz	LMWOXDKLWIKHDC-NRESZANFSA-N	0	0	429.447	5.017	50	30		IKEARN
CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000001213035	555682762	/nfs/dbraw/zinc/68/27/62/555682762.db2.gz	IEZGPYRAYNHBCB-ZUOKHONESA-N	0	0	435.486	5.651	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1	ZINC000001213265	555683089	/nfs/dbraw/zinc/68/30/89/555683089.db2.gz	TZIRPBWBLGPZKR-NRFANRHFSA-N	0	0	444.915	5.092	50	30		IKEARN
Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000001216815	555684255	/nfs/dbraw/zinc/68/42/55/555684255.db2.gz	XLAHUQIIMZNDHU-SIBVEZHUSA-N	0	0	425.488	5.883	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1	ZINC000001221159	555686027	/nfs/dbraw/zinc/68/60/27/555686027.db2.gz	GLFGLAVYEGWMMO-AREMUKBSSA-N	0	0	445.559	5.228	50	30		IKEARN
COc1cc(OC)c(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1Br	ZINC000001229079	555686184	/nfs/dbraw/zinc/68/61/84/555686184.db2.gz	YQQCBNKRCOUEET-ZVHZXABRSA-N	0	0	439.309	5.469	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1	ZINC000001409137	555694026	/nfs/dbraw/zinc/69/40/26/555694026.db2.gz	JQTIPGOKXZTPEI-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccs1)c1ccc(F)cc1	ZINC000001413463	555694690	/nfs/dbraw/zinc/69/46/90/555694690.db2.gz	DEQPEHJGLWNOEA-JOCHJYFZSA-N	0	0	446.503	5.190	50	30		IKEARN
Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2NC2=C1C(=O)CC(C)(C)C2	ZINC000001414054	555694912	/nfs/dbraw/zinc/69/49/12/555694912.db2.gz	HALUOMUJKGFJCG-HSZRJFAPSA-N	0	0	432.955	6.056	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccccc1)c1ccc(F)cc1	ZINC000001414732	555694923	/nfs/dbraw/zinc/69/49/23/555694923.db2.gz	MVMVOLLSAFLFRI-XMMPIXPASA-N	0	0	440.474	5.128	50	30		IKEARN
CC(=O)Oc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001434760	555696848	/nfs/dbraw/zinc/69/68/48/555696848.db2.gz	XTQWHRDCJCPYIW-KMRXNPHXSA-N	0	0	438.527	5.900	50	30		IKEARN
COC(=O)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001434755	555696860	/nfs/dbraw/zinc/69/68/60/555696860.db2.gz	XEOFLJWHOWJEGJ-JIPXPUAJSA-N	0	0	438.527	5.761	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(O)c2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001456567	555699989	/nfs/dbraw/zinc/69/99/89/555699989.db2.gz	NFVGQWMKSVJSOC-GAJHUEQPSA-N	0	0	437.561	5.015	50	30		IKEARN
CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000001459247	555700307	/nfs/dbraw/zinc/70/03/07/555700307.db2.gz	AWCFAQPUAJPTMI-WINIVTDRSA-N	0	0	427.523	5.871	50	30		IKEARN
CCCCCCCc1ccc(C(=O)Nc2ccc(Sc3nc(C)cc(C)n3)cc2)cc1	ZINC000001741021	555711483	/nfs/dbraw/zinc/71/14/83/555711483.db2.gz	FUJSETUVQUCZPS-UHFFFAOYSA-N	0	0	433.621	7.010	50	30		IKEARN
CC(=O)C1=NN(c2ccccc2Cl)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000001815197	555718469	/nfs/dbraw/zinc/71/84/69/555718469.db2.gz	CZZCNFWZDFAVFD-NRFANRHFSA-N	0	0	443.981	5.481	50	30		IKEARN
CC(=O)Oc1ccc(-c2ccc(/C=N/c3ccccc3-c3nc4ccccc4s3)cc2)cc1	ZINC000001955010	555726330	/nfs/dbraw/zinc/72/63/30/555726330.db2.gz	PKMWEESBDJNQFX-RDRPBHBLSA-N	0	0	448.547	7.306	50	30		IKEARN
CC1(C)[C@H](/C=C(\Cl)C(F)(F)F)[C@@H]1C(=O)O[C@@H](C#N)c1cccc(Oc2ccccc2)c1	ZINC000002013778	555727572	/nfs/dbraw/zinc/72/75/72/555727572.db2.gz	ZXQYGBMAQZUVMI-RDDWSQKMSA-N	0	0	449.856	6.544	50	30	in-man	IKEARN
O=C(Oc1ccc(/C=N/c2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1)c1ccco1	ZINC000002053120	555729611	/nfs/dbraw/zinc/72/96/11/555729611.db2.gz	VNTJKZNWCYVSFE-JFLMPSFJSA-N	0	0	442.858	6.711	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)c(OC)c1	ZINC000002055088	555730061	/nfs/dbraw/zinc/73/00/61/555730061.db2.gz	DXDXNFACWIRAOJ-HSZRJFAPSA-N	0	0	441.568	5.041	50	30		IKEARN
N#CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060614	555731640	/nfs/dbraw/zinc/73/16/40/555731640.db2.gz	DNNBYDAITZOXQL-UHFFFAOYSA-N	0	0	433.621	5.864	50	30	biogenic	IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002062028	555732284	/nfs/dbraw/zinc/73/22/84/555732284.db2.gz	ZWJUESPZACRXLF-XMMPIXPASA-N	0	0	449.522	5.052	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000002062755	555732478	/nfs/dbraw/zinc/73/24/78/555732478.db2.gz	CEOUOPJIPHACFF-UHFFFAOYSA-N	0	0	448.346	6.311	50	30		IKEARN
CCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O	ZINC000002062825	555732504	/nfs/dbraw/zinc/73/25/04/555732504.db2.gz	GEOSYSCYWCMVCF-UHFFFAOYSA-N	0	0	434.319	5.921	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000002063819	555733103	/nfs/dbraw/zinc/73/31/03/555733103.db2.gz	OCINQIBDNMBAJJ-GDLZYMKVSA-N	0	0	430.551	7.211	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(CC)CC)cc1	ZINC000002066316	555733369	/nfs/dbraw/zinc/73/33/69/555733369.db2.gz	UOHPYJANHWBUCN-DEOSSOPVSA-N	0	0	438.612	5.480	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC	ZINC000002066957	555733658	/nfs/dbraw/zinc/73/36/58/555733658.db2.gz	VMRRVSTVCGTUNH-HSZRJFAPSA-N	0	0	425.569	5.423	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCCCC	ZINC000002069362	555734238	/nfs/dbraw/zinc/73/42/38/555734238.db2.gz	UFXODLYHZPYKRY-DEOSSOPVSA-N	0	0	425.569	5.567	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N\c3cc(Cl)ccc3OC)NC2=O)c2ccccc12	ZINC000002076514	555736024	/nfs/dbraw/zinc/73/60/24/555736024.db2.gz	GZOSVDOXKZIIKG-MTJSOVHGSA-N	0	0	438.936	5.792	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000002081828	555738395	/nfs/dbraw/zinc/73/83/95/555738395.db2.gz	SYGYADBSIGVFRH-JWMLTMDESA-N	0	0	430.529	5.826	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1OC	ZINC000002082257	555738681	/nfs/dbraw/zinc/73/86/81/555738681.db2.gz	QXYJCFCFJPHJHK-LMTJQJACSA-N	0	0	444.556	6.129	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000002082966	555738923	/nfs/dbraw/zinc/73/89/23/555738923.db2.gz	VTQQBIKOGKYPLQ-GZAOZUBMSA-N	0	0	430.529	5.826	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000002092562	555741460	/nfs/dbraw/zinc/74/14/60/555741460.db2.gz	GDWOIBUCYZPXAM-ZEHKLFRWSA-N	0	0	440.568	6.677	50	30		IKEARN
Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@@H](C(C)(C)C)C2	ZINC000002112737	555744408	/nfs/dbraw/zinc/74/44/08/555744408.db2.gz	SVHWGRXZNDGIFN-WGFYCLKKSA-N	0	0	440.657	5.754	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccccc2F)c(Br)c1	ZINC000002123448	555745588	/nfs/dbraw/zinc/74/55/88/555745588.db2.gz	VWXDWIOGKICPQT-UHFFFAOYSA-N	0	0	437.264	5.630	50	30		IKEARN
N#Cc1ccc(/C=N/c2ccc(Cl)cc2Cl)nc1SCc1ccc(Cl)cc1	ZINC000002154343	555750228	/nfs/dbraw/zinc/75/02/28/555750228.db2.gz	GNINLXJQPMRHKP-OPEKNORGSA-N	0	0	432.763	6.956	50	30		IKEARN
COc1ccc(/C=N/c2ccc(Cc3ccc(/N=C/c4ccc(OC)cc4)cc3)cc2)cc1	ZINC000002167425	555751473	/nfs/dbraw/zinc/75/14/73/555751473.db2.gz	GCIPNLHNEJQENX-OQIGUVFWSA-N	0	0	434.539	6.796	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1	ZINC000002174302	555752422	/nfs/dbraw/zinc/75/24/22/555752422.db2.gz	IXCUEUGQJZAPJT-IVCURSBOSA-N	0	0	437.609	5.977	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1cccc(-c2nc3cc(Cl)ccc3o2)c1	ZINC000002186632	555755487	/nfs/dbraw/zinc/75/54/87/555755487.db2.gz	WPFBBTWDGNTPRR-FOKLQQMPSA-N	0	0	427.685	6.367	50	30		IKEARN
Cc1cc(Br)c(O)c(/C=N/c2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1	ZINC000002186445	555755563	/nfs/dbraw/zinc/75/55/63/555755563.db2.gz	ZAKNNVYAFPNNGJ-BHGWPJFGSA-N	0	0	441.712	6.675	50	30		IKEARN
COc1cccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1	ZINC000002296563	555766316	/nfs/dbraw/zinc/76/63/16/555766316.db2.gz	IYIASLBJLCLHKV-UHFFFAOYSA-N	0	0	443.572	5.282	50	30		IKEARN
CCCCCCCCOC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(Cl)cc21	ZINC000002307600	555767664	/nfs/dbraw/zinc/76/76/64/555767664.db2.gz	RXVHZBBATKSCOU-UHFFFAOYSA-N	0	0	425.956	7.081	50	30		IKEARN
Cc1ccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)cc1	ZINC000002317954	555768268	/nfs/dbraw/zinc/76/82/68/555768268.db2.gz	PAALBBCBKWIDEL-UHFFFAOYSA-N	0	0	443.338	5.630	50	30		IKEARN
CCCCCCCCOc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1	ZINC000002327575	555768929	/nfs/dbraw/zinc/76/89/29/555768929.db2.gz	HMAFOTBZOYCUMY-UHFFFAOYSA-N	0	0	441.571	6.813	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)cc1	ZINC000002347186	555770829	/nfs/dbraw/zinc/77/08/29/555770829.db2.gz	GLANPKJYUZDVGV-UFWORHAWSA-N	0	0	428.142	5.185	50	30		IKEARN
C=CCn1c(CSc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C	ZINC000002508664	555785114	/nfs/dbraw/zinc/78/51/14/555785114.db2.gz	ODWJMLVLFSNEIS-UHFFFAOYSA-N	0	0	438.622	5.412	50	30		IKEARN
COc1cc(/C=N/NC(=S)Nc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1	ZINC000002531220	555786179	/nfs/dbraw/zinc/78/61/79/555786179.db2.gz	HXYMPJOEQNIRAL-DHRITJCHSA-N	0	0	443.931	5.387	50	30		IKEARN
S=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1	ZINC000002542732	555786706	/nfs/dbraw/zinc/78/67/06/555786706.db2.gz	VUMZXCIROYJTFK-ZMOGYAJESA-N	0	0	430.360	5.893	50	30		IKEARN
O=C(Oc1cccc(/C=N/NC(=S)Nc2ccccc2)c1)c1ccc(Cl)cc1Cl	ZINC000002542684	555786749	/nfs/dbraw/zinc/78/67/49/555786749.db2.gz	DFJNDTHWHCSTRR-ZMOGYAJESA-N	0	0	444.343	5.533	50	30		IKEARN
COc1ccc(C2=C(Nc3ccc(Br)cc3)c3ccccc3C2=O)cc1OC	ZINC000002550072	555787285	/nfs/dbraw/zinc/78/72/85/555787285.db2.gz	NJIVXCOKRAPPTD-UHFFFAOYSA-N	0	0	436.305	5.643	50	30		IKEARN
CC1(C)CC(=O)C(Sc2ccccc2[N+](=O)[O-])=C(OC(=O)c2ccccc2Cl)C1	ZINC000002570722	555787886	/nfs/dbraw/zinc/78/78/86/555787886.db2.gz	IMLOGDONUFNSQY-UHFFFAOYSA-N	0	0	431.897	5.798	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccc(F)cc2)cc1	ZINC000002597737	555789799	/nfs/dbraw/zinc/78/97/99/555789799.db2.gz	YYSNQYSUBGAVBC-CVKSISIWSA-N	0	0	445.523	5.008	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccccc2)cc1	ZINC000002755403	555811267	/nfs/dbraw/zinc/81/12/67/555811267.db2.gz	GXWXXHPJFWRBGO-RUZDIDTESA-N	0	0	447.600	5.618	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1	ZINC000002757372	555811528	/nfs/dbraw/zinc/81/15/28/555811528.db2.gz	LROSTCZLJWODRG-NVQXNPDNSA-N	0	0	429.560	5.564	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccccc1F	ZINC000002762222	555813169	/nfs/dbraw/zinc/81/31/69/555813169.db2.gz	GQGIMMCFOKBJSU-IVZQSRNASA-N	0	0	425.525	5.202	50	30		IKEARN
C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N(C)Cc2ccccc2)cc1	ZINC000034680150	555813460	/nfs/dbraw/zinc/81/34/60/555813460.db2.gz	KQGZULYDUHCNJQ-UHFFFAOYSA-N	0	0	441.575	5.098	50	30		IKEARN
Cc1ccc(N2C3=C(C(=O)CC(C)(C)C3)C(c3cnn(C)c3)C3=C2CC(C)(C)CC3=O)cc1	ZINC000002767932	555814262	/nfs/dbraw/zinc/81/42/62/555814262.db2.gz	SKSYCUAYYKHFOS-UHFFFAOYSA-N	0	0	443.591	5.619	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002772131	555816049	/nfs/dbraw/zinc/81/60/49/555816049.db2.gz	VWUKHNZLIVHJRM-QHCPKHFHSA-N	0	0	425.544	5.696	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1Cl	ZINC000002775343	555817526	/nfs/dbraw/zinc/81/75/26/555817526.db2.gz	ZFAYHMDKIHHFJC-MHECFPHRSA-N	0	0	435.951	5.655	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(SC)cc1	ZINC000002775522	555817749	/nfs/dbraw/zinc/81/77/49/555817749.db2.gz	YZWSCBAAIOOYLZ-NRFANRHFSA-N	0	0	445.650	5.309	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(Cl)c1	ZINC000002784247	555820160	/nfs/dbraw/zinc/82/01/60/555820160.db2.gz	YNMSAXPRGZAOGJ-NTKDMRAZSA-N	0	0	435.951	5.655	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000002795857	555822194	/nfs/dbraw/zinc/82/21/94/555822194.db2.gz	CGOHDXAYDRPWCW-HXUWFJFHSA-N	0	0	436.379	5.941	50	30		IKEARN
CC1=C(C(=O)N2CCCCC2)[C@H](c2ccc(C(F)(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002796779	555822841	/nfs/dbraw/zinc/82/28/41/555822841.db2.gz	QELPQVZNPVKPDI-NRFANRHFSA-N	0	0	446.513	5.322	50	30		IKEARN
CCCCN1C2=C(C(=O)c3ccccc32)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O	ZINC000002826398	555830960	/nfs/dbraw/zinc/83/09/60/555830960.db2.gz	BCYMOPRIXVTDCA-QFIPXVFZSA-N	0	0	428.488	5.409	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc([N+](=O)[O-])o4)cc3)cc2)o1	ZINC000002831710	555832070	/nfs/dbraw/zinc/83/20/70/555832070.db2.gz	FTUASASANQQDGN-RNIAWFEPSA-N	0	0	430.376	5.857	50	30		IKEARN
CC(=O)Oc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1	ZINC000002834280	555832279	/nfs/dbraw/zinc/83/22/79/555832279.db2.gz	WJOHGQVRNTZRNN-YVLHZVERSA-N	0	0	448.363	5.278	50	30		IKEARN
COc1cc(/C=C2\N=C(SCc3ccccc3)SC2=O)ccc1OCc1ccccc1	ZINC000002834975	555832356	/nfs/dbraw/zinc/83/23/56/555832356.db2.gz	IDHVZPHIXKUNDK-STZFKDTASA-N	0	0	447.581	6.178	50	30		IKEARN
Clc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3Cl)cc2)cc1	ZINC000002839579	555834648	/nfs/dbraw/zinc/83/46/48/555834648.db2.gz	GQKVLCYBPQSKBZ-YAGSLNJISA-N	0	0	429.350	8.162	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccco2)C2=C(C[C@H](c3ccc(F)cc3)CC2=O)N1	ZINC000002844406	555837006	/nfs/dbraw/zinc/83/70/06/555837006.db2.gz	YVXMMMIGPJJACV-QYBDOPJKSA-N	0	0	449.522	5.656	50	30		IKEARN
CCCCCCCCc1nnc(NC(=O)c2ccccc2I)s1	ZINC000002848948	555838461	/nfs/dbraw/zinc/83/84/61/555838461.db2.gz	WTOCXUUQXCXJAH-UHFFFAOYSA-N	0	0	443.354	5.298	50	30		IKEARN
CCOc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OCC)cc4)cc3)cc2)cc1	ZINC000002854222	555840772	/nfs/dbraw/zinc/84/07/72/555840772.db2.gz	OFNDXGZORJDPCN-RWRHWQIFSA-N	0	0	448.566	7.652	50	30		IKEARN
Cc1cc(C)c(/C=N/c2ccc(-c3ccc(/N=C/c4c(C)cc(C)cc4C)cc3)cc2)c(C)c1	ZINC000002894930	555860280	/nfs/dbraw/zinc/86/02/80/555860280.db2.gz	BYFNOEVGTLAECE-ZXHXELASSA-N	0	0	444.622	8.705	50	30		IKEARN
O=C1c2ccccc2S/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	ZINC000002901652	555860962	/nfs/dbraw/zinc/86/09/62/555860962.db2.gz	ZSBCAFVMOKKWIF-FOKLQQMPSA-N	0	0	436.363	7.326	50	30		IKEARN
COc1c(Sc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c(C)nn1-c1ccccc1	ZINC000003045088	555882722	/nfs/dbraw/zinc/88/27/22/555882722.db2.gz	CZYDIVLBEJSXTN-UHFFFAOYSA-N	0	0	436.352	5.916	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccccc1OCc1ccccc1	ZINC000003098431	555886451	/nfs/dbraw/zinc/88/64/51/555886451.db2.gz	AVKQDJNVEBZLAT-VWLOTQADSA-N	0	0	431.532	5.187	50	30		IKEARN
O=C(/C=C/Sc1c(Cl)cccc1Cl)c1ccc(I)cc1	ZINC000003120266	555889133	/nfs/dbraw/zinc/88/91/33/555889133.db2.gz	XFCACBRAXJZNNR-CMDGGOBGSA-N	0	0	435.113	6.087	50	30		IKEARN
O=C(O/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1)c1cccs1	ZINC000003127565	555889958	/nfs/dbraw/zinc/88/99/58/555889958.db2.gz	ZRSWFDVIZCNMJK-YSURURNPSA-N	0	0	442.871	6.157	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2ccc(/C=N/NC(=S)Nc3ccc(Cl)c(Cl)c3)o2)cc1	ZINC000003131720	555890526	/nfs/dbraw/zinc/89/05/26/555890526.db2.gz	YJHDGLNIWASIDN-UFFVCSGVSA-N	0	0	435.292	5.482	50	30		IKEARN
S=C(NCCc1ccccc1)N/N=C/c1c2ccccc2[nH]c1-c1ccc(Cl)cc1	ZINC000003131814	555890532	/nfs/dbraw/zinc/89/05/32/555890532.db2.gz	GEXNJOFJSKJJGY-JVWAILMASA-N	0	0	432.980	5.529	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl	ZINC000003147792	555892076	/nfs/dbraw/zinc/89/20/76/555892076.db2.gz	SJZMFSKESUOBNN-HNNXBMFYSA-N	0	0	445.612	6.001	50	30		IKEARN
CCOc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000003162277	555893011	/nfs/dbraw/zinc/89/30/11/555893011.db2.gz	MEKIPJCVSPLZFX-KIBLKLHPSA-N	0	0	435.393	5.443	50	30		IKEARN
Cc1c(/N=C\c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C	ZINC000003189417	555895596	/nfs/dbraw/zinc/89/55/96/555895596.db2.gz	PNKDORBZKGUUQR-VEILYXNESA-N	0	0	433.515	5.088	50	30		IKEARN
CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(N(C)C)cc1)Nc1ccccc1-2	ZINC000003655232	555944278	/nfs/dbraw/zinc/94/42/78/555944278.db2.gz	SCFHWZBBYMSUMU-HSZRJFAPSA-N	0	0	449.624	6.170	50	30		IKEARN
O=C(/C=C/C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1	ZINC000004030935	555953914	/nfs/dbraw/zinc/95/39/14/555953914.db2.gz	KIFCNWJRTXNGKJ-NGBZPGHQSA-N	0	0	428.535	7.100	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000004047854	555955479	/nfs/dbraw/zinc/95/54/79/555955479.db2.gz	AGQNVTZMIXEHKC-ZTOMLWHTSA-N	0	0	437.587	6.512	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000004047853	555955483	/nfs/dbraw/zinc/95/54/83/555955483.db2.gz	AGQNVTZMIXEHKC-PZGXJGMVSA-N	0	0	437.587	6.512	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2	ZINC000004047472	555955549	/nfs/dbraw/zinc/95/55/49/555955549.db2.gz	SAMOLXWGCCRQHP-DEOSSOPVSA-N	0	0	448.950	6.285	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004060367	555956590	/nfs/dbraw/zinc/95/65/90/555956590.db2.gz	NEPCHUHGUTUJFW-KBMIEXCESA-N	0	0	431.532	5.010	50	30		IKEARN
CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004061504	555956935	/nfs/dbraw/zinc/95/69/35/555956935.db2.gz	PNOZYXWTWMGNKG-DEOSSOPVSA-N	0	0	437.580	5.565	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000004064193	555957105	/nfs/dbraw/zinc/95/71/05/555957105.db2.gz	TWRWTRGHSIGDHC-RUZDIDTESA-N	0	0	431.532	5.187	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000004064495	555957182	/nfs/dbraw/zinc/95/71/82/555957182.db2.gz	XSNLCTYJONDVHU-AKJBCIBTSA-N	0	0	448.925	6.467	50	30	biogenic,in-vitro	IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2Cl)cc1	ZINC000004064491	555957223	/nfs/dbraw/zinc/95/72/23/555957223.db2.gz	XSNLCTYJONDVHU-DXPJPUQTSA-N	0	0	448.925	6.467	50	30	biogenic,in-vitro	IKEARN
CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004065171	555957408	/nfs/dbraw/zinc/95/74/08/555957408.db2.gz	DYIZXSBIONMLTR-QYBDOPJKSA-N	0	0	447.003	7.041	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1	ZINC000004065112	555957431	/nfs/dbraw/zinc/95/74/31/555957431.db2.gz	HFWYMXXBUFGSLR-UZTOHYMASA-N	0	0	444.962	6.718	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc(Cl)c1)Nc1ccccc1N2	ZINC000004065635	555957463	/nfs/dbraw/zinc/95/74/63/555957463.db2.gz	LNVYGCRQHNZVOG-NSYGIPOTSA-N	0	0	435.354	6.973	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)c1	ZINC000004075113	555958367	/nfs/dbraw/zinc/95/83/67/555958367.db2.gz	CFAAYVLWXFPNFY-CLYVBNDRSA-N	0	0	440.499	5.403	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000004078803	555958681	/nfs/dbraw/zinc/95/86/81/555958681.db2.gz	LBSCKXDYZKHMGB-QLXKLKPCSA-N	0	0	444.918	6.048	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1cc(Br)ccc1F)C1=C(CC(C)(C)CC1=O)N2	ZINC000004082200	555958896	/nfs/dbraw/zinc/95/88/96/555958896.db2.gz	WGXUZVDOIBYSGG-QFIPXVFZSA-N	0	0	443.360	6.427	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2	ZINC000004082571	555959279	/nfs/dbraw/zinc/95/92/79/555959279.db2.gz	ZVNIIVXBILHVGW-LMKMVOKYSA-N	0	0	435.354	6.973	50	30		IKEARN
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C	ZINC000004095521	555961935	/nfs/dbraw/zinc/96/19/35/555961935.db2.gz	QYIMSPSDBYKPPY-RSKUXYSASA-N	0	0	426.729	9.816	50	30	in-man,metabolite	IKEARN
Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)c(Cl)c1	ZINC000004109503	555963415	/nfs/dbraw/zinc/96/34/15/555963415.db2.gz	YRILAAGUUZKFFU-WYMPLXKRSA-N	0	0	428.344	6.628	50	30		IKEARN
Clc1ccc(Cn2cc(C=NNc3nc4ccccc4[nH]3)c3ccccc32)cc1Cl	ZINC000004108632	555963459	/nfs/dbraw/zinc/96/34/59/555963459.db2.gz	BOQXFCVTCKUCLB-RPPGKUMJSA-N	0	0	434.330	6.319	50	30		IKEARN
S=C(N/N=C/c1cc(Br)ccc1OCc1ccccc1)Nc1ccccc1	ZINC000004231428	555977835	/nfs/dbraw/zinc/97/78/35/555977835.db2.gz	JGFLIJSDRZGSSS-OEAKJJBVSA-N	0	0	440.366	5.349	50	30		IKEARN
Fc1ccc(COc2ccc3ccccc3c2/C=N/NC(=S)NC2CCCCC2)cc1	ZINC000004282931	555982788	/nfs/dbraw/zinc/98/27/88/555982788.db2.gz	KDGCRHRJPRVANC-JVWAILMASA-N	0	0	435.568	5.689	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004285261	555982883	/nfs/dbraw/zinc/98/28/83/555982883.db2.gz	HCTLUVVPAJEIAS-HSZRJFAPSA-N	0	0	425.569	5.421	50	30		IKEARN
COc1ccc(/C=C2\CN(Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1	ZINC000004371412	555990788	/nfs/dbraw/zinc/99/07/88/555990788.db2.gz	PUPGKKCPLWYJLH-MUPYBJATSA-N	0	0	425.528	5.256	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)NC2=C1C(=O)CCC2	ZINC000004417967	555993910	/nfs/dbraw/zinc/99/39/10/555993910.db2.gz	INFUVSOZCYBBND-RUZDIDTESA-N	0	0	437.580	5.709	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000004635557	556004526	/nfs/dbraw/zinc/00/45/26/556004526.db2.gz	CDXZMWKCWCVSJZ-RUZDIDTESA-N	0	0	447.554	5.279	50	30		IKEARN
CCCCc1cc(CCCC)nc(N=NCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1	ZINC000004671200	556005923	/nfs/dbraw/zinc/00/59/23/556005923.db2.gz	WRRUFYVWLPFFTB-MTDXEUNCSA-N	0	0	438.660	6.908	50	30		IKEARN
CC1(C)CC(=O)C=C(NCCCN(C(=O)Nc2ccc(Cl)cc2)C2CCCCC2)C1	ZINC000004679026	556005926	/nfs/dbraw/zinc/00/59/26/556005926.db2.gz	UQLNAUAWXHYCHO-UHFFFAOYSA-N	0	0	432.008	5.759	50	30		IKEARN
CCN(CC)c1ccc([C@H]2c3c(cc(OC)cc3OC)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004794675	556012133	/nfs/dbraw/zinc/01/21/33/556012133.db2.gz	LTDKSJCNNZLYJX-XMMPIXPASA-N	0	0	434.580	5.751	50	30		IKEARN
COc1cc2c(c(OC)c1OC)[C@H](c1ccc(SC)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794453	556012239	/nfs/dbraw/zinc/01/22/39/556012239.db2.gz	UBSHQMLVNOBBER-HXUWFJFHSA-N	0	0	439.577	5.635	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1	ZINC000005092538	556032082	/nfs/dbraw/zinc/03/20/82/556032082.db2.gz	KNSLAUYCFAAQEL-UZTOHYMASA-N	0	0	427.548	6.105	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C	ZINC000006077001	556074877	/nfs/dbraw/zinc/07/48/77/556074877.db2.gz	LALRTYWBIYNSER-NDEPHWFRSA-N	0	0	441.571	6.945	50	30		IKEARN
COc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000006077162	556074946	/nfs/dbraw/zinc/07/49/46/556074946.db2.gz	APMJSVUKEGGGQT-XMMPIXPASA-N	0	0	443.543	6.066	50	30		IKEARN
CCOc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)ccc1OC	ZINC000006089734	556076389	/nfs/dbraw/zinc/07/63/89/556076389.db2.gz	UYDAAXFSHMLTJY-MRDQGFSESA-N	0	0	446.572	6.135	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCCC	ZINC000006162080	556078879	/nfs/dbraw/zinc/07/88/79/556078879.db2.gz	VKDJRACXIQOLNS-DEOSSOPVSA-N	0	0	439.596	5.813	50	30		IKEARN
CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000006162441	556078942	/nfs/dbraw/zinc/07/89/42/556078942.db2.gz	OWTBQNHTJKZQRR-VWLOTQADSA-N	0	0	446.547	5.091	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(O)c(OC)c2)C1=O	ZINC000006173525	556079247	/nfs/dbraw/zinc/07/92/47/556079247.db2.gz	FZLDJJMDDDSASE-STZFKDTASA-N	0	0	447.512	5.098	50	30		IKEARN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)c1	ZINC000006239651	556081922	/nfs/dbraw/zinc/08/19/22/556081922.db2.gz	PHEASQZZEASOHK-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(C)c1	ZINC000006442956	556087604	/nfs/dbraw/zinc/08/76/04/556087604.db2.gz	DBKOVHVHAYCADO-XMMPIXPASA-N	0	0	430.548	5.246	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	ZINC000006446074	556088517	/nfs/dbraw/zinc/08/85/17/556088517.db2.gz	AKIZFOBIXPHFNG-UBFVSLLYSA-N	0	0	435.914	5.624	50	30		IKEARN
C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)COc1ccccc1)[C@@H]2c1ccco1	ZINC000006498691	556091798	/nfs/dbraw/zinc/09/17/98/556091798.db2.gz	COFDEJPZEYLXTK-MRDQGFSESA-N	0	0	428.488	5.112	50	30		IKEARN
C=CCN1C(=O)C[C@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1	ZINC000002728296	556133665	/nfs/dbraw/zinc/13/36/65/556133665.db2.gz	FGWAHUJFZHMURR-BJUXRVGASA-N	0	0	434.348	5.140	50	30		IKEARN
O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(F)(F)C(F)(F)C(F)(F)F	ZINC000002761181	556135420	/nfs/dbraw/zinc/13/54/20/556135420.db2.gz	LWVQFAVRWYJTLP-UHFFFAOYSA-N	0	0	448.363	6.898	50	30		IKEARN
C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3cccc4ccccc43)nc21	ZINC000002779943	556141634	/nfs/dbraw/zinc/14/16/34/556141634.db2.gz	AFLOTTAZXLHWBC-UHFFFAOYSA-N	0	0	425.517	5.050	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc2[nH]c(C)c(C)c2c1	ZINC000002911383	556148802	/nfs/dbraw/zinc/14/88/02/556148802.db2.gz	SQTQMBMPKQOGIN-UHFFFAOYSA-N	0	0	445.592	5.577	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(SC)cc2)C1=O	ZINC000002898876	556149442	/nfs/dbraw/zinc/14/94/42/556149442.db2.gz	RZTQDOUJVFDNMR-SFQUDFHCSA-N	0	0	431.966	5.606	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C	ZINC000008035045	556149544	/nfs/dbraw/zinc/14/95/44/556149544.db2.gz	FNPHNLNTJNMAEE-HSZRJFAPSA-O	0	0	428.678	6.341	50	30	endogenous,in-man	IKEARN
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccco2)c1	ZINC000008384339	556159991	/nfs/dbraw/zinc/15/99/91/556159991.db2.gz	IQGAOGMWSBUQIZ-JOCHJYFZSA-N	0	0	435.476	5.138	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1	ZINC000008384724	556160569	/nfs/dbraw/zinc/16/05/69/556160569.db2.gz	BHAXSCXMDQIWTO-LSHDLFTRSA-N	0	0	441.181	6.716	50	30		IKEARN
Cc1ccc(S(=O)(=O)N/N=C2\CC(C)(C)CC3=C2[C@@]2(O)CC(C)(C)C[C@@](C)(C3)C2)cc1	ZINC000008385075	556160877	/nfs/dbraw/zinc/16/08/77/556160877.db2.gz	QAQUQGOMHJOOAE-RRJWIBSJSA-N	0	0	444.641	5.097	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)cc1	ZINC000008396081	556163317	/nfs/dbraw/zinc/16/33/17/556163317.db2.gz	QEPHNXKTLMAJFR-MKRFAJQFSA-N	0	0	428.513	5.841	50	30		IKEARN
CCCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)CCCC)c(O)c2)cc1	ZINC000008397208	556163830	/nfs/dbraw/zinc/16/38/30/556163830.db2.gz	YXGDCQVNUOMIRC-UHFFFAOYSA-N	0	0	426.553	6.724	50	30	biogenic	IKEARN
CCCCCCCCCCCCCCCC(=O)Nc1c2c(nc3c1CCCC3)CCC2	ZINC000008397664	556164209	/nfs/dbraw/zinc/16/42/09/556164209.db2.gz	IICLHPKUGWRTLL-UHFFFAOYSA-N	0	0	426.689	7.869	50	30		IKEARN
O=C(/C=C/c1ccccc1OC(=O)c1ccccc1Br)c1ccc(Cl)cc1	ZINC000008400313	556165904	/nfs/dbraw/zinc/16/59/04/556165904.db2.gz	GGBBMSWLFJOFMQ-SDNWHVSQSA-N	0	0	441.708	6.218	50	30		IKEARN
CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000008403711	556166553	/nfs/dbraw/zinc/16/65/53/556166553.db2.gz	HYCZJKCVFPLUDE-UHFFFAOYSA-N	0	0	438.564	5.884	50	30		IKEARN
CCCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc(OCc2ccccc2)c1	ZINC000008407954	556166726	/nfs/dbraw/zinc/16/67/26/556166726.db2.gz	FELINXJLPXJNFQ-XMMPIXPASA-N	0	0	436.552	5.407	50	30		IKEARN
COc1cccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008415129	556167734	/nfs/dbraw/zinc/16/77/34/556167734.db2.gz	OVUKUJSLCIKTLD-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1Cl	ZINC000003050628	556167747	/nfs/dbraw/zinc/16/77/47/556167747.db2.gz	KFLDXBDMQXEMAV-WYMPLXKRSA-N	0	0	441.712	6.670	50	30		IKEARN
Clc1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c(Cl)c1	ZINC000008427440	556169767	/nfs/dbraw/zinc/16/97/67/556169767.db2.gz	DBRLQGAIQIOXTM-ZVHZXABRSA-N	0	0	442.354	5.358	50	30		IKEARN
O=C(Nc1cnc2ccccc2c1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000008427484	556169886	/nfs/dbraw/zinc/16/98/86/556169886.db2.gz	CDQVRAGVPQHMQF-UHFFFAOYSA-N	0	0	440.212	5.277	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)ccc1Cl	ZINC000008427592	556169904	/nfs/dbraw/zinc/16/99/04/556169904.db2.gz	HLSNRBQKSWSFBT-BHGWPJFGSA-N	0	0	445.693	6.620	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1C2=NN(/C(C)=C/C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000008431162	556170875	/nfs/dbraw/zinc/17/08/75/556170875.db2.gz	ZXOVSPPEKNYKJJ-KDDHIZETSA-N	0	0	439.353	5.274	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1cc([N+](=O)[O-])c(N2CCCCC2)cc1N1CCCCC1	ZINC000008435141	556173127	/nfs/dbraw/zinc/17/31/27/556173127.db2.gz	PLBSVQLQQZNUDL-UHFFFAOYSA-N	0	0	445.519	5.038	50	30		IKEARN
Oc1ccc(Br)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000008434869	556173139	/nfs/dbraw/zinc/17/31/39/556173139.db2.gz	SJJRXZMXRBDOLO-ZVHZXABRSA-N	0	0	446.308	5.120	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008437050	556173622	/nfs/dbraw/zinc/17/36/22/556173622.db2.gz	CEDGMPQHEBUTKF-PDGQHHTCSA-N	0	0	449.890	5.931	50	30		IKEARN
COc1ccccc1/C=C(/C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc2ccccc2o1	ZINC000008437065	556173626	/nfs/dbraw/zinc/17/36/26/556173626.db2.gz	KMBMKFGUZRMKPM-AQTBWJFISA-N	0	0	445.471	5.286	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1nc(-c2ccccc2)cn1/N=C/c1ccccc1	ZINC000008437368	556173711	/nfs/dbraw/zinc/17/37/11/556173711.db2.gz	BNBBLDQDZZCMRB-OAMFTAOGSA-N	0	0	445.320	5.651	50	30		IKEARN
CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1	ZINC000008438037	556174325	/nfs/dbraw/zinc/17/43/25/556174325.db2.gz	DQXVIDBRVRIHAD-UINIZAEWSA-N	0	0	430.573	6.561	50	30		IKEARN
Cc1ccc(SC2=C/C(=N\S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1	ZINC000008439130	556175149	/nfs/dbraw/zinc/17/51/49/556175149.db2.gz	ZFRALANELFGRLF-XTCLZLMSSA-N	0	0	447.581	5.662	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)s1	ZINC000008439316	556175459	/nfs/dbraw/zinc/17/54/59/556175459.db2.gz	VSMDTURROHSZGZ-XMMPIXPASA-N	0	0	435.589	5.446	50	30		IKEARN
CSC1=N/C(=N\c2cccc(C(F)(F)F)c2)C2(CCCCC2)N1c1ccc(C)cc1	ZINC000008442445	556177374	/nfs/dbraw/zinc/17/73/74/556177374.db2.gz	UTLMYUDGMRNLBZ-OOAXWGSJSA-N	0	0	431.527	6.986	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC	ZINC000008443861	556178657	/nfs/dbraw/zinc/17/86/57/556178657.db2.gz	CXNLWRAUFBFSFO-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1	ZINC000008445230	556179204	/nfs/dbraw/zinc/17/92/04/556179204.db2.gz	KBJYLXCDJFHQBD-HZHRSRAPSA-N	0	0	430.577	5.360	50	30		IKEARN
C=CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O	ZINC000008444669	556179235	/nfs/dbraw/zinc/17/92/35/556179235.db2.gz	CGLWHPDRLXTWGC-WEMUOSSPSA-N	0	0	441.556	5.533	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1	ZINC000008448576	556180410	/nfs/dbraw/zinc/18/04/10/556180410.db2.gz	YBPJLLRZEYXKSF-SDHSZQHLSA-N	0	0	437.449	5.249	50	30		IKEARN
Cc1nnc(/N=C(/N2N=C(C)S[C@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1	ZINC000008448145	556180457	/nfs/dbraw/zinc/18/04/57/556180457.db2.gz	MRYZLGGBZOLKEJ-ZGBROZEESA-N	0	0	448.621	5.282	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1OC)C2=O	ZINC000008448955	556180704	/nfs/dbraw/zinc/18/07/04/556180704.db2.gz	MFWNATYOSPLEQG-UHFFFAOYSA-N	0	0	437.536	5.793	50	30		IKEARN
CCOc1cc(N(CC)CC)ccc1/C=C1\S/C(=N/c2ccc(OC)cc2)N(C)C1=O	ZINC000008450463	556181265	/nfs/dbraw/zinc/18/12/65/556181265.db2.gz	CHLBOIBYKICALE-HLTANSAUSA-N	0	0	439.581	5.174	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(N(CC)CC)cc3)C2=N)S1	ZINC000008450616	556181539	/nfs/dbraw/zinc/18/15/39/556181539.db2.gz	ZCZZIURTVXSTSD-QTQSCGLDSA-N	0	0	425.602	5.512	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1	ZINC000008451630	556182289	/nfs/dbraw/zinc/18/22/89/556182289.db2.gz	YBGYWIGKLVPOKY-WFFFFOTMSA-N	0	0	445.588	6.422	50	30		IKEARN
Cc1ccc(-c2ccc(C=NNc3ccc(I)cc3)o2)cc1[N+](=O)[O-]	ZINC000008452131	556182817	/nfs/dbraw/zinc/18/28/17/556182817.db2.gz	BEEOUECHRQGAQE-JAIQZWGSSA-N	0	0	447.232	5.214	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=C\C(=O)/C=C\c1cc(Cl)cc(Cl)c1OC	ZINC000097402282	556186506	/nfs/dbraw/zinc/18/65/06/556186506.db2.gz	XZWYIFJCMITUSW-GLIMQPGKSA-N	0	0	432.130	6.613	50	30		IKEARN
N#CCCN(CCc1ccccn1)C(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000008637280	556195349	/nfs/dbraw/zinc/19/53/49/556195349.db2.gz	MBOOEDUQJBDYAV-UHFFFAOYSA-N	0	0	446.420	5.274	50	30		IKEARN
COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@H](C)CC(C)(C)C2)cc1OCc1ccccc1	ZINC000008648733	556196295	/nfs/dbraw/zinc/19/62/95/556196295.db2.gz	JZZUWEHFCXEDNH-BETYUBHXSA-N	0	0	439.625	5.287	50	30		IKEARN
O=[N+]([O-])c1ccc(CN=Nc2nc3ccc(Br)cc3c(-c3ccccc3)n2)o1	ZINC000008670709	556198333	/nfs/dbraw/zinc/19/83/33/556198333.db2.gz	AMFHUDPQIPHXIT-SRZZPIQSSA-N	0	0	438.241	5.007	50	30		IKEARN
COc1cc(/C=C2/CCC/C(=C\c3cc(O)c(OC)c(Cl)c3)C2=O)cc(Cl)c1O	ZINC000008672196	556198507	/nfs/dbraw/zinc/19/85/07/556198507.db2.gz	TYDRJXNCYVKYQC-QSPLRUFESA-N	0	0	435.303	5.642	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000008740571	556206124	/nfs/dbraw/zinc/20/61/24/556206124.db2.gz	WGDCIXFXFONXPR-OAQYLSRUSA-N	0	0	434.467	5.203	50	30		IKEARN
CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000008741896	556207321	/nfs/dbraw/zinc/20/73/21/556207321.db2.gz	FJNMRFSIFOTQDI-YMVPSHTBSA-N	0	0	443.528	5.054	50	30		IKEARN
CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000008741895	556207405	/nfs/dbraw/zinc/20/74/05/556207405.db2.gz	FJNMRFSIFOTQDI-MCMRFMRISA-N	0	0	443.528	5.054	50	30		IKEARN
S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)Nc1ccccc1	ZINC000008798190	556216457	/nfs/dbraw/zinc/21/64/57/556216457.db2.gz	SKHSWEXQCFPPSK-OEAKJJBVSA-N	0	0	440.366	5.349	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(Cl)c(OC(C)C)c(Cl)c1	ZINC000008829908	556225191	/nfs/dbraw/zinc/22/51/91/556225191.db2.gz	BLHUVRPHLDLWRE-LJQANCHMSA-N	0	0	435.376	5.300	50	30	aggregator	IKEARN
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC1=NC(=O)/C(=C\c3cccc(Br)c3)S1)C2	ZINC000008830089	556225209	/nfs/dbraw/zinc/22/52/09/556225209.db2.gz	XGBYPXJUPDRINW-CKLBMXLLSA-N	0	0	432.387	5.211	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C(F)(F)F)cc1	ZINC000008846694	556227163	/nfs/dbraw/zinc/22/71/63/556227163.db2.gz	SWLSQKIALIIEJM-DWXRJYCRSA-N	0	0	448.488	6.993	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccccc1Cl)C2	ZINC000008846663	556227204	/nfs/dbraw/zinc/22/72/04/556227204.db2.gz	NVTWIXACOHQGCP-SOKVYYICSA-N	0	0	444.962	6.718	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1	ZINC000008857451	556227739	/nfs/dbraw/zinc/22/77/39/556227739.db2.gz	RJURTOCYQLFIPM-VOIUYBSRSA-N	0	0	437.561	5.497	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1	ZINC000008857449	556227769	/nfs/dbraw/zinc/22/77/69/556227769.db2.gz	RJURTOCYQLFIPM-FYSMJZIKSA-N	0	0	437.561	5.497	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@H]2c1ccc(Br)s1	ZINC000008915863	556232561	/nfs/dbraw/zinc/23/25/61/556232561.db2.gz	VFLMLKZQKXIGEF-JOCHJYFZSA-N	0	0	438.390	6.864	50	30		IKEARN
Cc1ccc(CN2c3ccc(Cl)cc3[C@](O)(CC(=O)C=Cc3ccccc3)C2=O)cc1	ZINC000008922676	556233844	/nfs/dbraw/zinc/23/38/44/556233844.db2.gz	ZDYOQYKUGJUPFX-HEAKDJBOSA-N	0	0	431.919	5.055	50	30		IKEARN
Clc1ccc(C=NN=c2cc(-c3ccccc3)c3cc(Br)ccc3[nH]2)o1	ZINC000008926470	556234425	/nfs/dbraw/zinc/23/44/25/556234425.db2.gz	MKWCIIWYDTXTQS-FSJBWODESA-N	0	0	426.701	6.357	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(C)cc1	ZINC000008995746	556239377	/nfs/dbraw/zinc/23/93/77/556239377.db2.gz	XXOXHKPAFDFNLX-MNNSJKJDSA-N	0	0	436.555	6.306	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@H]1c1ccccc1)c1ccccc1	ZINC000009007667	556239973	/nfs/dbraw/zinc/23/99/73/556239973.db2.gz	PCRKUKVZFKDURX-FQEVSTJZSA-N	0	0	434.289	5.232	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(C)s1	ZINC000009010456	556240916	/nfs/dbraw/zinc/24/09/16/556240916.db2.gz	HGIGHMZGXILPRD-PEBXRYMYSA-N	0	0	427.953	5.245	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009042855	556242337	/nfs/dbraw/zinc/24/23/37/556242337.db2.gz	BVALXJPFVYPUFN-JOCHJYFZSA-N	0	0	446.572	5.975	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2	ZINC000009046068	556242802	/nfs/dbraw/zinc/24/28/02/556242802.db2.gz	WEWIQWUUBJGZRD-AREMUKBSSA-N	0	0	446.547	5.749	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)c(OC)c1	ZINC000009046710	556243118	/nfs/dbraw/zinc/24/31/18/556243118.db2.gz	ZOUWHWFPLPEONG-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000009065148	556244538	/nfs/dbraw/zinc/24/45/38/556244538.db2.gz	RIUCOGLEHBNCHB-OAQYLSRUSA-N	0	0	427.928	5.078	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC	ZINC000009089010	556245792	/nfs/dbraw/zinc/24/57/92/556245792.db2.gz	PTGBUASYOOSAHH-QFIPXVFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(OC)cc1	ZINC000009191629	556254116	/nfs/dbraw/zinc/25/41/16/556254116.db2.gz	QZJAJWSFAMOGSR-CLYVBNDRSA-N	0	0	442.515	5.599	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000009241464	556266656	/nfs/dbraw/zinc/26/66/56/556266656.db2.gz	TVYGVLXBISWPIF-IBGZPJMESA-N	0	0	436.508	5.363	50	30		IKEARN
CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2c[nH]c3ccccc32)o1	ZINC000009245000	556267045	/nfs/dbraw/zinc/26/70/45/556267045.db2.gz	KLYJGJVPWCCSDE-MTJSOVHGSA-N	0	0	430.533	5.191	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)s1	ZINC000009261297	556269009	/nfs/dbraw/zinc/26/90/09/556269009.db2.gz	MHLVNAVXAAAOCB-GZTJUZNOSA-N	0	0	446.981	6.583	50	30		IKEARN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(N2CCCCCC2)o1	ZINC000009261362	556269272	/nfs/dbraw/zinc/26/92/72/556269272.db2.gz	ZTACLTQPBXAYSE-FOWTUZBSSA-N	0	0	436.364	5.858	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1	ZINC000009264175	556270192	/nfs/dbraw/zinc/27/01/92/556270192.db2.gz	JPBLRQVNZTYZAI-VWLOTQADSA-N	0	0	443.934	6.552	50	30		IKEARN
CCCNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1	ZINC000009264283	556270351	/nfs/dbraw/zinc/27/03/51/556270351.db2.gz	IXTIJJBSFVIQTD-AFMDSPMNSA-N	0	0	441.531	5.773	50	30		IKEARN
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1Cc1ccc(Cl)cc1	ZINC000009264188	556270372	/nfs/dbraw/zinc/27/03/72/556270372.db2.gz	HANDTTIIHNGZHT-HHHXNRCGSA-N	0	0	444.962	6.529	50	30		IKEARN
CCCNC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000009264282	556270429	/nfs/dbraw/zinc/27/04/29/556270429.db2.gz	IXTIJJBSFVIQTD-SIBVEZHUSA-N	0	0	441.531	5.773	50	30		IKEARN
Clc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)c(Cl)c1	ZINC000009296486	556275545	/nfs/dbraw/zinc/27/55/45/556275545.db2.gz	HTVOUBMYUBSZKI-WYMPLXKRSA-N	0	0	428.344	6.628	50	30		IKEARN
CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1	ZINC000009304632	556276253	/nfs/dbraw/zinc/27/62/53/556276253.db2.gz	DQXVIDBRVRIHAD-HXNPFYCNSA-N	0	0	430.573	6.561	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1	ZINC000009304640	556276259	/nfs/dbraw/zinc/27/62/59/556276259.db2.gz	VDFSRGUKTMXNFI-DZNDYGJHSA-N	0	0	444.556	5.551	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)C[C@H](C)C3)[C@@H]2c2ccco2)cc1	ZINC000009332486	556283206	/nfs/dbraw/zinc/28/32/06/556283206.db2.gz	PMKHIXTVTHTQKW-CPJLOUKISA-N	0	0	428.488	5.355	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000009379704	556286786	/nfs/dbraw/zinc/28/67/86/556286786.db2.gz	XXDZLOJRLNTJLA-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009379997	556287021	/nfs/dbraw/zinc/28/70/21/556287021.db2.gz	MALXMVHNCKIESU-JOCHJYFZSA-N	0	0	433.891	5.127	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)cc2Cl)Nc2ccccc2)n1	ZINC000009383344	556287516	/nfs/dbraw/zinc/28/75/16/556287516.db2.gz	ZXXFTYWKPHPDFG-UHFFFAOYSA-N	0	0	429.311	5.512	50	30		IKEARN
COc1cc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O	ZINC000009434258	556291478	/nfs/dbraw/zinc/29/14/78/556291478.db2.gz	SQEHLXZIOVCQDW-AREMUKBSSA-N	0	0	440.499	5.218	50	30		IKEARN
O=C1Nc2ccccc2C1=NNc1nc(-c2ccccc2)nc2sc3c(c21)CCCC3	ZINC000009444025	556292084	/nfs/dbraw/zinc/29/20/84/556292084.db2.gz	KTLMUCNNSHYFAO-UHFFFAOYSA-N	0	0	425.517	5.005	50	30		IKEARN
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009472366	556293496	/nfs/dbraw/zinc/29/34/96/556293496.db2.gz	KHYOPUZNBHHDRP-HSZRJFAPSA-N	0	0	447.462	5.070	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)c3cccs3)[C@H]2c2ccccc2)C1	ZINC000009482806	556294261	/nfs/dbraw/zinc/29/42/61/556294261.db2.gz	CJXHSLSYBRACAX-QFIPXVFZSA-N	0	0	429.545	5.600	50	30		IKEARN
CCN(CC)c1ccc(C=[NH+][N-]c2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1	ZINC000009542082	556297382	/nfs/dbraw/zinc/29/73/82/556297382.db2.gz	TZKRCBPRLXRXGF-MQRLXVCBSA-N	0	0	449.668	6.525	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Cl)c3)C12	ZINC000009546526	556297389	/nfs/dbraw/zinc/29/73/89/556297389.db2.gz	LDLXGEDURBQYLF-CMJOXMDJSA-N	0	0	431.948	6.167	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000009546457	556297397	/nfs/dbraw/zinc/29/73/97/556297397.db2.gz	YCESPSWTHZCRKN-VWLOTQADSA-N	0	0	447.534	6.417	50	30		IKEARN
O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C12	ZINC000009546530	556297648	/nfs/dbraw/zinc/29/76/48/556297648.db2.gz	ASXJGZULURUIJB-CPJLOUKISA-N	0	0	443.909	6.245	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC	ZINC000009559906	556298899	/nfs/dbraw/zinc/29/88/99/556298899.db2.gz	GIPWOQUJELTBGT-BBRMVZONSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000009559911	556298906	/nfs/dbraw/zinc/29/89/06/556298906.db2.gz	HRGKDTWDANVPNH-HUUCEWRRSA-N	0	0	446.330	5.015	50	30		IKEARN
CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1	ZINC000013750768	556299067	/nfs/dbraw/zinc/29/90/67/556299067.db2.gz	YNCSCLNDOVUXRG-UYRXBGFRSA-N	0	0	446.557	5.761	50	30		IKEARN
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O	ZINC000009560079	556299472	/nfs/dbraw/zinc/29/94/72/556299472.db2.gz	YDFSVUSOZNKRKV-ZFWWWQNUSA-N	0	0	446.330	5.102	50	30		IKEARN
COc1cccc(CN=Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc32)c1O	ZINC000013757076	556300710	/nfs/dbraw/zinc/30/07/10/556300710.db2.gz	JHPNMJNLVLGJJQ-BRJLIKDPSA-N	0	0	439.302	5.764	50	30		IKEARN
COc1ccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1	ZINC000013756657	556300852	/nfs/dbraw/zinc/30/08/52/556300852.db2.gz	ZYEATRUJSVVDHW-FKIVBMLTSA-N	0	0	431.539	6.802	50	30		IKEARN
O=c1[nH]c(NN=Cc2ccc(Br)cc2)nc2c1C1(CCCC1)Cc1ccccc1-2	ZINC000013764663	556302509	/nfs/dbraw/zinc/30/25/09/556302509.db2.gz	UOWICHDFQYVCOI-AFUMVMLFSA-N	0	0	449.352	5.013	50	30		IKEARN
CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000009678760	556305786	/nfs/dbraw/zinc/30/57/86/556305786.db2.gz	VUZDVWRSUQXVCN-KPURRNSFSA-N	0	0	438.571	6.763	50	30		IKEARN
CCOC(=O)C1=C(N)N(c2cccc(Cl)c2C)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	ZINC000009761316	556308324	/nfs/dbraw/zinc/30/83/24/556308324.db2.gz	HAAUAOQFPSNHAJ-IBGZPJMESA-N	0	0	442.968	5.054	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccccn1	ZINC000009781045	556308503	/nfs/dbraw/zinc/30/85/03/556308503.db2.gz	QMGDOYHVSKMPAY-HXUWFJFHSA-N	0	0	444.560	5.070	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1ccccn1	ZINC000009781042	556308713	/nfs/dbraw/zinc/30/87/13/556308713.db2.gz	QMGDOYHVSKMPAY-FQEVSTJZSA-N	0	0	444.560	5.070	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1	ZINC000009805263	556308966	/nfs/dbraw/zinc/30/89/66/556308966.db2.gz	DLMCFGIKAGDIIT-LGGPFLRQSA-N	0	0	438.571	6.762	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2)S/C1=N\c1cccc(Cl)c1	ZINC000009850168	556313957	/nfs/dbraw/zinc/31/39/57/556313957.db2.gz	ARGFITARBFZFAY-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861336	556314969	/nfs/dbraw/zinc/31/49/69/556314969.db2.gz	CXRNYWZRPIVGDD-QFIPXVFZSA-N	0	0	429.347	6.156	50	30		IKEARN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000009892598	556315555	/nfs/dbraw/zinc/31/55/55/556315555.db2.gz	SAFXLVSSTUUKRG-NTUHNPAUSA-N	0	0	428.684	5.447	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)cc1	ZINC000009972253	556319720	/nfs/dbraw/zinc/31/97/20/556319720.db2.gz	FYCTYEMAPAOEEF-XHCCPWGMSA-N	0	0	427.523	5.871	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000009993316	556320077	/nfs/dbraw/zinc/32/00/77/556320077.db2.gz	BUVYCAUITHXWQB-FQEVSTJZSA-N	0	0	430.460	5.218	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccc(F)cc1)c1ccccc1	ZINC000009993310	556320150	/nfs/dbraw/zinc/32/01/50/556320150.db2.gz	ISYJWWGJKBBYDV-HXUWFJFHSA-N	0	0	430.460	5.218	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC	ZINC000009982685	556320161	/nfs/dbraw/zinc/32/01/61/556320161.db2.gz	QSWKHWCARMUOIP-IIBYNOLFSA-N	0	0	439.602	5.313	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)c1	ZINC000009993318	556320184	/nfs/dbraw/zinc/32/01/84/556320184.db2.gz	JRZVUVPVECGDJQ-OAQYLSRUSA-N	0	0	442.496	5.088	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009993299	556320204	/nfs/dbraw/zinc/32/02/04/556320204.db2.gz	CZOXHFHTSMQAGM-NRFANRHFSA-N	0	0	442.496	5.088	50	30		IKEARN
C=CCc1ccccc1OCCOc1cccc(C=NNc2nc3ccccc3s2)c1	ZINC000013895570	556328901	/nfs/dbraw/zinc/32/89/01/556328901.db2.gz	YWHSNVZSSNRRRL-NLRVBDNBSA-N	0	0	429.545	5.929	50	30		IKEARN
CCOc1ccc(NC(=NC(=O)Nc2cccc(Cl)c2)Nc2nc(C)cc(C)n2)cc1	ZINC000013899564	556331231	/nfs/dbraw/zinc/33/12/31/556331231.db2.gz	AFNWBRMKZIHUOD-UHFFFAOYSA-N	0	0	438.919	5.258	50	30		IKEARN
COc1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3Cl)NC2=O)cc(Cl)c1O	ZINC000013915242	556332222	/nfs/dbraw/zinc/33/22/22/556332222.db2.gz	QTTXEKJTTJHPLC-MKMNVTDBSA-N	0	0	429.712	5.253	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(F)cc2)c(C)cc1C	ZINC000013915998	556332548	/nfs/dbraw/zinc/33/25/48/556332548.db2.gz	XAXMBZMCJULYBA-VWLOTQADSA-N	0	0	449.522	5.162	50	30		IKEARN
CCOc1cc(C=NNc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N	ZINC000013915287	556332571	/nfs/dbraw/zinc/33/25/71/556332571.db2.gz	QTZVIHUJQVMZKQ-LSHDLFTRSA-N	0	0	443.128	5.503	50	30		IKEARN
O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cc(Br)ccc3O)cc2)cc1	ZINC000004480735	556333915	/nfs/dbraw/zinc/33/39/15/556333915.db2.gz	NTKWULHCCOBHMH-CIAFOILYSA-N	0	0	429.295	5.965	50	30		IKEARN
Cc1ccc(Nc2nc(N=NCc3ccccc3O)nc(Nc3ccc(C)cc3)n2)cc1	ZINC000013943551	556340747	/nfs/dbraw/zinc/34/07/47/556340747.db2.gz	CTRBSLYSQYAQOJ-MFKUBSTISA-N	0	0	425.496	5.127	50	30		IKEARN
Cc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)o1	ZINC000011617081	556342618	/nfs/dbraw/zinc/34/26/18/556342618.db2.gz	XLGJFDCEFSNHSL-ZRDIBKRKSA-N	0	0	434.289	5.755	50	30		IKEARN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000011617080	556342802	/nfs/dbraw/zinc/34/28/02/556342802.db2.gz	BCXHNAPLPBHTEH-FMIVXFBMSA-N	0	0	430.847	5.653	50	30		IKEARN
N#Cc1ccc(NC(=O)CSCc2csc(-c3cccc(Br)c3)n2)cc1	ZINC000032779065	556352175	/nfs/dbraw/zinc/35/21/75/556352175.db2.gz	CKVHMTFSQUUZPS-UHFFFAOYSA-N	0	0	444.379	5.316	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)c(Br)cc1O	ZINC000014008777	556353858	/nfs/dbraw/zinc/35/38/58/556353858.db2.gz	PIIJOFBVKLSILU-VCHYOVAHSA-N	0	0	447.354	5.007	50	30		IKEARN
N#CC(CCSc1nc2ccccc2c(=O)n1C1CC1)(c1ccccc1)c1ccccc1	ZINC000032818845	556393873	/nfs/dbraw/zinc/39/38/73/556393873.db2.gz	LCHPOVOQDRCFER-UHFFFAOYSA-N	0	0	437.568	5.723	50	30		IKEARN
CC(=O)Nc1s/c(=N\N=C\c2ccccc2)n(Cc2ccccc2)c1-c1ccccc1	ZINC000032623427	556410692	/nfs/dbraw/zinc/41/06/92/556410692.db2.gz	XGUBWCYBSJYEBU-NDQAOLADSA-N	0	0	426.545	5.158	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)COc1ccccc1-c1nc3ccccc3s1)CCC2	ZINC000032958147	556446585	/nfs/dbraw/zinc/44/65/85/556446585.db2.gz	MSGYCECSIVSXTQ-UHFFFAOYSA-N	0	0	431.542	5.403	50	30		IKEARN
C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@H]1OC1(C)C	ZINC000028248816	556446946	/nfs/dbraw/zinc/44/69/46/556446946.db2.gz	KABSNIWLJXCBGG-SOMXJEHOSA-N	0	0	442.728	9.027	50	30		IKEARN
C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C)CC/C=C(\C)CC[C@H]1OC1(C)C	ZINC000028248827	556447032	/nfs/dbraw/zinc/44/70/32/556447032.db2.gz	KABSNIWLJXCBGG-LYINBSFCSA-N	0	0	442.728	9.027	50	30		IKEARN
C=CCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	ZINC000011034546	556460570	/nfs/dbraw/zinc/46/05/70/556460570.db2.gz	JECGPSBXGNOQLY-FQEVSTJZSA-N	0	0	438.940	5.234	50	30		IKEARN
COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl	ZINC000015011788	556483403	/nfs/dbraw/zinc/48/34/03/556483403.db2.gz	URWRZNMVWVLYGW-YBFXNURJSA-N	0	0	445.327	6.154	50	30		IKEARN
Cc1cc2c(c(C)c1)NC(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000015015529	556484776	/nfs/dbraw/zinc/48/47/76/556484776.db2.gz	CWAFIWKLHMDAAM-RCBTVRNASA-N	0	0	425.513	5.434	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1c2ccccc2cc2ccccc21	ZINC000015016289	556485489	/nfs/dbraw/zinc/48/54/89/556485489.db2.gz	NMNLBHGUTUBHJC-HMAPJEAMSA-N	0	0	448.469	6.903	50	30		IKEARN
Cc1c(Cl)cccc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	ZINC000015016486	556485823	/nfs/dbraw/zinc/48/58/23/556485823.db2.gz	PSVJVXWGNGKFHY-ODLFYWEKSA-N	0	0	439.880	5.708	50	30		IKEARN
CCOc1cccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000015018320	556486825	/nfs/dbraw/zinc/48/68/25/556486825.db2.gz	RFVVUCLNNPKHOI-JXKYSLRESA-N	0	0	444.556	6.216	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000015018359	556486985	/nfs/dbraw/zinc/48/69/85/556486985.db2.gz	UJJWFTAXTQKUBM-HXNPFYCNSA-N	0	0	428.557	6.326	50	30		IKEARN
O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000015018403	556487141	/nfs/dbraw/zinc/48/71/41/556487141.db2.gz	AEWZOAQUFIGQLC-XHOZKXSISA-N	0	0	434.904	5.877	50	30		IKEARN
Fc1ccccc1COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1	ZINC000015228169	556512791	/nfs/dbraw/zinc/51/27/91/556512791.db2.gz	KNEUQBUYLQHHTB-JFLMPSFJSA-N	0	0	427.504	6.614	50	30		IKEARN
CCCCOC(=O)c1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N	ZINC000015305979	556517817	/nfs/dbraw/zinc/51/78/17/556517817.db2.gz	FLUTWNFHMUHCKN-UHFFFAOYSA-N	0	0	430.529	5.919	50	30		IKEARN
COc1ccc(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)cc1	ZINC000003080548	556518657	/nfs/dbraw/zinc/51/86/57/556518657.db2.gz	CIOPXMQRLGXNHA-MWAVMZGNSA-N	0	0	435.523	6.573	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)cc1	ZINC000003088543	556519641	/nfs/dbraw/zinc/51/96/41/556519641.db2.gz	QLEPFYGYXLMVNU-JVWAILMASA-N	0	0	444.328	6.881	50	30		IKEARN
COc1ccc(/C=N\c2ccc(O)c(-c3nc4ccccc4s3)c2)cc1Br	ZINC000003092130	556520006	/nfs/dbraw/zinc/52/00/06/556520006.db2.gz	XPUJOBRGAJEGEO-FMCGGJTJSA-N	0	0	439.334	6.191	50	30		IKEARN
COc1cc(CN=Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl	ZINC000031854449	556527209	/nfs/dbraw/zinc/52/72/09/556527209.db2.gz	SOSZFTSUIHOAQS-KSEXSDGBSA-N	0	0	429.929	5.341	50	30		IKEARN
CCN(CC)c1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)n2)cc1	ZINC000032691027	556546653	/nfs/dbraw/zinc/54/66/53/556546653.db2.gz	HQSFSHZSEUUCGE-CEUNXORHSA-N	0	0	439.538	6.242	50	30		IKEARN
CCCCOc1ccc(/C=N\N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1	ZINC000032691016	556546679	/nfs/dbraw/zinc/54/66/79/556546679.db2.gz	BCIJXTKQEOCHPZ-ANYBSYGZSA-N	0	0	436.559	6.460	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC)c(CSc3nc4ccccc4s3)c2)cc1	ZINC000015767633	556549074	/nfs/dbraw/zinc/54/90/74/556549074.db2.gz	NWADAAJTZZPBKO-NTUHNPAUSA-N	0	0	447.581	6.502	50	30		IKEARN
O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000015769253	556549860	/nfs/dbraw/zinc/54/98/60/556549860.db2.gz	SAFXLVSSTUUKRG-QPEQYQDCSA-N	0	0	428.684	5.447	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@@H]2[C@@H](C#N)c2ccccc2)c1C#N	ZINC000072305314	556553379	/nfs/dbraw/zinc/55/33/79/556553379.db2.gz	GAQZUPXOIGNYKK-LOSJGSFVSA-N	0	0	443.595	5.192	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccsc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000015836250	556555562	/nfs/dbraw/zinc/55/55/62/556555562.db2.gz	VJZJITIIANLCTI-FQEVSTJZSA-N	0	0	428.504	5.269	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)c2cccs2)cc1[N+](=O)[O-]	ZINC000015836634	556555564	/nfs/dbraw/zinc/55/55/64/556555564.db2.gz	LMUZKRXGDJHSKX-LUAWRHEFSA-N	0	0	431.473	5.414	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000015836440	556555627	/nfs/dbraw/zinc/55/56/27/556555627.db2.gz	XDBFHSYJDSNEQP-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
COc1ccc(C(=O)/C=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(OC)c2)cc1	ZINC000015836456	556555655	/nfs/dbraw/zinc/55/56/55/556555655.db2.gz	NARKYBNNZQLZNN-PTNGSMBKSA-N	0	0	440.499	5.461	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2ccc(N3C(=O)c4cccc5cccc(c54)C3=O)cc2)cc1	ZINC000015837610	556555931	/nfs/dbraw/zinc/55/59/31/556555931.db2.gz	RWUPILNHIMBLKK-LICLKQGHSA-N	0	0	433.463	5.545	50	30		IKEARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)c1ccccc1	ZINC000015837458	556556000	/nfs/dbraw/zinc/55/60/00/556556000.db2.gz	OTBCYVXLJLACDT-SSZFMOIBSA-N	0	0	429.317	6.198	50	30		IKEARN
CCCCCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)=Nc1ccccc1-2	ZINC000033353597	556562823	/nfs/dbraw/zinc/56/28/23/556562823.db2.gz	VHXPYJUXPLTQKH-UHFFFAOYSA-N	0	0	432.549	5.906	50	30		IKEARN
O=C(NC1C(=O)c2ccccc2C(=O)C1=Nc1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000015906438	556562850	/nfs/dbraw/zinc/56/28/50/556562850.db2.gz	LFGLGDXFZNQJJW-UHFFFAOYSA-N	0	0	437.282	5.126	50	30		IKEARN
N#Cc1cccnc1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1	ZINC000032907702	556563307	/nfs/dbraw/zinc/56/33/07/556563307.db2.gz	YZZQUDONAWGJIY-UHFFFAOYSA-N	0	0	428.304	5.311	50	30		IKEARN
Cc1noc(C)c1CSc1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1	ZINC000032908457	556564890	/nfs/dbraw/zinc/56/48/90/556564890.db2.gz	HWNXSCQBEOVONJ-UHFFFAOYSA-N	0	0	439.540	5.631	50	30		IKEARN
COC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2sccc2C)CCCC3)cc1	ZINC000015945842	556566998	/nfs/dbraw/zinc/56/69/98/556566998.db2.gz	DINSFMWNCIFAIH-ZMOGYAJESA-N	0	0	438.574	5.786	50	30		IKEARN
CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CCCCC3)cc1	ZINC000015945872	556567070	/nfs/dbraw/zinc/56/70/70/556567070.db2.gz	OUWRLHSEXYEVHV-JVWAILMASA-N	0	0	436.552	6.558	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006720508	556579346	/nfs/dbraw/zinc/57/93/46/556579346.db2.gz	VSICIECRBYHMGG-MHZLTWQESA-N	0	0	425.576	6.391	50	30		IKEARN
N#CCCN(C(=O)CN1CCc2sccc2[C@H]1c1cccs1)c1cccc(Cl)c1	ZINC000034863266	556584334	/nfs/dbraw/zinc/58/43/34/556584334.db2.gz	YVSKWZKULORQIX-QFIPXVFZSA-N	0	0	442.009	5.357	50	30		IKEARN
Fc1ccc(-c2sc(N=NCc3ccc(Br)cc3)nc2C(F)(F)F)cc1	ZINC000016133879	556584893	/nfs/dbraw/zinc/58/48/93/556584893.db2.gz	BXMCVDBUHXYXBA-NUGSKGIGSA-N	0	0	444.251	6.177	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c1C	ZINC000032972037	556589816	/nfs/dbraw/zinc/58/98/16/556589816.db2.gz	CVNWGTBCJHHASW-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C(C)(C)C)cc1)Nc1ccc(C)cc1C	ZINC000032972317	556589827	/nfs/dbraw/zinc/58/98/27/556589827.db2.gz	INHVKKKOFDGQAF-UHFFFAOYSA-N	0	0	445.611	5.349	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c1C	ZINC000032971799	556589869	/nfs/dbraw/zinc/58/98/69/556589869.db2.gz	YBSSUWXXCZWUPI-UHFFFAOYSA-N	0	0	435.547	5.180	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032972188	556590098	/nfs/dbraw/zinc/59/00/98/556590098.db2.gz	OZNXJEGLSFVGSP-UHFFFAOYSA-N	0	0	449.574	5.489	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032971889	556590322	/nfs/dbraw/zinc/59/03/22/556590322.db2.gz	RVZBWMHQRDPBFP-UHFFFAOYSA-N	0	0	431.584	5.350	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1cccc(Cl)c1C	ZINC000032972629	556591248	/nfs/dbraw/zinc/59/12/48/556591248.db2.gz	YITTXOFEALIAPV-UHFFFAOYSA-N	0	0	444.366	5.050	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c(C)n1	ZINC000032972874	556591668	/nfs/dbraw/zinc/59/16/68/556591668.db2.gz	JDENLANIXHRTSN-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c(C)n1	ZINC000032972991	556591961	/nfs/dbraw/zinc/59/19/61/556591961.db2.gz	LPNIPPZMFBMRRW-UHFFFAOYSA-N	0	0	449.574	5.436	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cccc(SC)c2)c(C)n1	ZINC000032972998	556592019	/nfs/dbraw/zinc/59/20/19/556592019.db2.gz	WNXKXOZGDWTFNZ-UHFFFAOYSA-N	0	0	449.624	5.338	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(C)c2)c(C)n1	ZINC000032972897	556592614	/nfs/dbraw/zinc/59/26/14/556592614.db2.gz	KOWOPMUXHMTFBG-UHFFFAOYSA-N	0	0	445.611	5.606	50	30		IKEARN
N#Cc1cc(-c2c3cc(F)ccc3oc2C(=O)Nc2ccc(F)c(F)c2)cn(C2CC2)c1=O	ZINC000032913476	556593982	/nfs/dbraw/zinc/59/39/82/556593982.db2.gz	APLSXPQPGZOUAB-UHFFFAOYSA-N	0	0	449.388	5.138	50	30		IKEARN
Cc1nn(C)c(C)c1CCNC(=NC(=O)c1ccc(C)c(F)c1)Nc1ccc(C(C)C)cc1	ZINC000032973618	556594577	/nfs/dbraw/zinc/59/45/77/556594577.db2.gz	JZLMWNVSGVBPSE-UHFFFAOYSA-N	0	0	449.574	5.048	50	30		IKEARN
CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)c(OC)c1	ZINC000016267733	556595908	/nfs/dbraw/zinc/59/59/08/556595908.db2.gz	PANTVYYITSYOMF-JAIQZWGSSA-N	0	0	429.973	5.395	50	30		IKEARN
Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2	ZINC000016284136	556596970	/nfs/dbraw/zinc/59/69/70/556596970.db2.gz	FFCURMFIGBFHIR-MZJWZYIUSA-N	0	0	432.545	5.345	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1	ZINC000032984254	556602722	/nfs/dbraw/zinc/60/27/22/556602722.db2.gz	YPTXDIRWQJHKKO-UHFFFAOYSA-N	0	0	431.557	6.077	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2cccc(Br)c2)c2ccccc2S1(=O)=O	ZINC000032984133	556603178	/nfs/dbraw/zinc/60/31/78/556603178.db2.gz	PZGBXDDQZMIISX-UHFFFAOYSA-N	0	0	440.318	5.099	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2cc(Cl)cc(Cl)c2)c2ccccc2S1(=O)=O	ZINC000032984132	556603290	/nfs/dbraw/zinc/60/32/90/556603290.db2.gz	MAGGSCJJFXJWSB-UHFFFAOYSA-N	0	0	430.312	5.643	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3cc(Cl)cc(Cl)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984172	556603452	/nfs/dbraw/zinc/60/34/52/556603452.db2.gz	PUKAMINYUVTXAE-UHFFFAOYSA-N	0	0	444.339	5.952	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(Cl)c(Cl)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984171	556603495	/nfs/dbraw/zinc/60/34/95/556603495.db2.gz	NOKFKNYZFFPBKR-UHFFFAOYSA-N	0	0	444.339	5.952	50	30		IKEARN
CN(C)c1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccccc32)cc1	ZINC000032984234	556603510	/nfs/dbraw/zinc/60/35/10/556603510.db2.gz	YJBDGPDFUMMGMB-UHFFFAOYSA-N	0	0	438.936	5.056	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)c(C)c1	ZINC000032984436	556603800	/nfs/dbraw/zinc/60/38/00/556603800.db2.gz	YEHRVIUZRJMLGG-UHFFFAOYSA-N	0	0	439.483	5.540	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984315	556604005	/nfs/dbraw/zinc/60/40/05/556604005.db2.gz	HKSHDTBYFPMVGW-UHFFFAOYSA-N	0	0	439.920	5.388	50	30		IKEARN
Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1C	ZINC000032984388	556604299	/nfs/dbraw/zinc/60/42/99/556604299.db2.gz	HHAKIBUMIBRUDN-UHFFFAOYSA-N	0	0	441.911	5.746	50	30		IKEARN
COc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984391	556604349	/nfs/dbraw/zinc/60/43/49/556604349.db2.gz	DGCOLZYYFUMWBI-UHFFFAOYSA-N	0	0	443.883	5.137	50	30		IKEARN
O=C1C[C@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000016447546	556607998	/nfs/dbraw/zinc/60/79/98/556607998.db2.gz	JEOYTJHJEPVVGE-QUGAMOGWSA-N	0	0	428.463	5.534	50	30		IKEARN
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000016447544	556608078	/nfs/dbraw/zinc/60/80/78/556608078.db2.gz	JEOYTJHJEPVVGE-QLXKLKPCSA-N	0	0	428.463	5.534	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)cc2)S/C(=N/c2ccccc2)N1c1ccccc1	ZINC000016451051	556609478	/nfs/dbraw/zinc/60/94/78/556609478.db2.gz	ZPDZJAANZQTWKI-WJGQKVTCSA-N	0	0	435.346	6.258	50	30		IKEARN
O=S(=O)(N=C(SCc1ccccc1)SCc1ccccc1)c1ccc(Cl)cc1	ZINC000016480837	556611374	/nfs/dbraw/zinc/61/13/74/556611374.db2.gz	PRCHSFJHZMRHPL-UHFFFAOYSA-N	0	0	448.034	6.252	50	30		IKEARN
Oc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N=NCc2ccccc2)n1	ZINC000016513078	556613187	/nfs/dbraw/zinc/61/31/87/556613187.db2.gz	ZIBBHUVCELLXFU-MFKUBSTISA-N	0	0	445.320	5.725	50	30		IKEARN
CCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)c(O)c1	ZINC000016513071	556613279	/nfs/dbraw/zinc/61/32/79/556613279.db2.gz	HZYUQZIMSYHWPL-WPWMEQJKSA-N	0	0	440.503	5.457	50	30		IKEARN
Fc1ccccc1CN=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1	ZINC000016512906	556613284	/nfs/dbraw/zinc/61/32/84/556613284.db2.gz	HPNVEXWALREWGL-CVKSISIWSA-N	0	0	447.311	6.158	50	30		IKEARN
N#Cc1c(SCc2nc3ccccc3[nH]c2=O)nc(-c2cccs2)c2c1CCCC2	ZINC000016525022	556614082	/nfs/dbraw/zinc/61/40/82/556614082.db2.gz	HCDBZRTWKOJDBJ-UHFFFAOYSA-N	0	0	430.558	5.089	50	30		IKEARN
Cc1ccc(-c2nc3ccccc3c(NN=Cc3c(F)c(F)c(F)c(F)c3F)n2)cc1	ZINC000016663528	556621218	/nfs/dbraw/zinc/62/12/18/556621218.db2.gz	QKECDFGEZVTCBJ-ORBVJSQLSA-N	0	0	428.364	5.747	50	30		IKEARN
COc1cccc(CN=Nc2nc(-c3ccc(Br)cc3)nc3ccccc32)c1O	ZINC000016677509	556622596	/nfs/dbraw/zinc/62/25/96/556622596.db2.gz	WVKQRYMYZNUABO-ZMOGYAJESA-N	0	0	449.308	5.220	50	30		IKEARN
C=CCN1C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)S/C1=N/N=C/c1ccc(OC)cc1	ZINC000016713123	556630544	/nfs/dbraw/zinc/63/05/44/556630544.db2.gz	PZZFPISBOBBHCJ-MZKWWRRPSA-N	0	0	448.375	5.065	50	30		IKEARN
CCN(CC)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(NC(C)=O)s2)cc1	ZINC000016734732	556632695	/nfs/dbraw/zinc/63/26/95/556632695.db2.gz	BCBLXOUOZPQAGX-ZVHZXABRSA-N	0	0	441.988	5.714	50	30		IKEARN
C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1ccc(C)c(C)c1	ZINC000033769278	556633348	/nfs/dbraw/zinc/63/33/48/556633348.db2.gz	KLMNTVQMPROKKM-UHFFFAOYSA-N	0	0	445.563	5.188	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1c1ccc(C(C)C)cc1	ZINC000016741361	556635045	/nfs/dbraw/zinc/63/50/45/556635045.db2.gz	COEZEOKJFHLQMR-DEOSSOPVSA-N	0	0	433.548	5.672	50	30		IKEARN
C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CC=C)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1	ZINC000016741365	556635097	/nfs/dbraw/zinc/63/50/97/556635097.db2.gz	UQXFYDZYUFUNOG-XMMPIXPASA-N	0	0	431.532	5.448	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@@H]1c1ccc(C(C)C)cc1	ZINC000016741373	556635110	/nfs/dbraw/zinc/63/51/10/556635110.db2.gz	HBZUKTBGVVZSPP-QFIPXVFZSA-N	0	0	439.939	5.626	50	30		IKEARN
CCOC(=O)Nc1sc(N=NCc2cccc([N+](=O)[O-])c2)nc1-c1ccc(C)cc1	ZINC000016751491	556637623	/nfs/dbraw/zinc/63/76/23/556637623.db2.gz	AOAAJUVZFUBWMO-CIAFOILYSA-N	0	0	425.470	5.041	50	30		IKEARN
CC[C@H](C)Sc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016779351	556640988	/nfs/dbraw/zinc/64/09/88/556640988.db2.gz	APMCBNXDEBYPDP-GTNSWQLSSA-N	0	0	429.611	5.231	50	30		IKEARN
CCOc1ccc(-c2cs/c(=N/N=C(/C)c3ccc(Br)cc3)n2C)cc1	ZINC000016948811	556649858	/nfs/dbraw/zinc/64/98/58/556649858.db2.gz	QXTMKZXSDMTSPV-BRTVWGSHSA-N	0	0	430.371	5.240	50	30		IKEARN
CCN(CC)c1ccc(C=Nc2ccc(NC(C)=C3C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000100698319	556650904	/nfs/dbraw/zinc/65/09/04/556650904.db2.gz	NZTXDOAQZXUUES-RDRPBHBLSA-N	0	0	437.543	6.049	50	30		IKEARN
COc1ccc(-c2sc(/N=C/c3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC	ZINC000017025275	556653353	/nfs/dbraw/zinc/65/33/53/556653353.db2.gz	DPVYRXNZNFJFRP-STBIYBPSSA-N	0	0	438.552	7.030	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000017041229	556653798	/nfs/dbraw/zinc/65/37/98/556653798.db2.gz	DGXCFJFAVRPPGK-HXUWFJFHSA-N	0	0	429.545	5.347	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000017041232	556653809	/nfs/dbraw/zinc/65/38/09/556653809.db2.gz	DGXCFJFAVRPPGK-FQEVSTJZSA-N	0	0	429.545	5.347	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccccc1	ZINC000017044116	556654034	/nfs/dbraw/zinc/65/40/34/556654034.db2.gz	MMIBLOSSVCAZDX-XHCCPWGMSA-N	0	0	426.491	5.746	50	30		IKEARN
CC/C(=N\C(=O)c1cc(-c2ccc(OC(C)C)cc2)nc2ccccc21)c1ccc(C)cc1	ZINC000017100536	556665387	/nfs/dbraw/zinc/66/53/87/556665387.db2.gz	JXILXTONSVRLIQ-GKPLWNPISA-N	0	0	436.555	7.037	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000017163330	556670807	/nfs/dbraw/zinc/67/08/07/556670807.db2.gz	WIELBMCPGVDHMH-VWLOTQADSA-N	0	0	436.983	6.529	50	30		IKEARN
Cc1[nH]c2ccccc2c1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2	ZINC000017167119	556671214	/nfs/dbraw/zinc/67/12/14/556671214.db2.gz	LOQGFQMILICOSK-NTFVMDSBSA-N	0	0	427.573	6.097	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c(=O)[nH]c(SCc3ccccc3)nc1N2	ZINC000017189610	556672321	/nfs/dbraw/zinc/67/23/21/556672321.db2.gz	HYXHVBPDTHCYGJ-LJQANCHMSA-N	0	0	433.508	5.178	50	30		IKEARN
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1	ZINC000011915275	556674347	/nfs/dbraw/zinc/67/43/47/556674347.db2.gz	UFHYSHPYOBSUOT-QHCPKHFHSA-N	0	0	437.536	5.108	50	30		IKEARN
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2C)cc1	ZINC000011915277	556674398	/nfs/dbraw/zinc/67/43/98/556674398.db2.gz	UFHYSHPYOBSUOT-HSZRJFAPSA-N	0	0	437.536	5.108	50	30		IKEARN
O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1	ZINC000100814345	556676567	/nfs/dbraw/zinc/67/65/67/556676567.db2.gz	HNVMERIRLUAKLX-UHFFFAOYSA-N	0	0	432.242	5.138	50	30		IKEARN
N#C[C@H](c1ccccc1)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1Cl	ZINC000032931745	556676660	/nfs/dbraw/zinc/67/66/60/556676660.db2.gz	YVFUJYZYYWZBDQ-JOCHJYFZSA-N	0	0	429.907	5.375	50	30		IKEARN
Cc1ccc(COc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1	ZINC000011992146	556678887	/nfs/dbraw/zinc/67/88/87/556678887.db2.gz	XOBITHPEXNVHBZ-VULFUBBASA-N	0	0	433.964	6.797	50	30		IKEARN
Oc1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1-c1nc2ccccc2s1	ZINC000017747828	556679182	/nfs/dbraw/zinc/67/91/82/556679182.db2.gz	PVZCVHBQXAGIBJ-CGIFWJFOSA-N	0	0	435.346	6.847	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@@H]3c2ccco2)cc1	ZINC000017992911	556681280	/nfs/dbraw/zinc/68/12/80/556681280.db2.gz	BFVILGZACDUFHH-NFQMXDRXSA-N	0	0	438.527	5.899	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1cccc(F)c1	ZINC000018105948	556683910	/nfs/dbraw/zinc/68/39/10/556683910.db2.gz	SCWZXRJKQSEGEU-AREMUKBSSA-N	0	0	440.518	6.283	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000018180658	556685762	/nfs/dbraw/zinc/68/57/62/556685762.db2.gz	RPVNPNHAAGEORV-XMMPIXPASA-N	0	0	429.476	6.077	50	30		IKEARN
Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1	ZINC000018180284	556685791	/nfs/dbraw/zinc/68/57/91/556685791.db2.gz	QKMJRMXNJBXEJF-QHCPKHFHSA-N	0	0	436.502	5.516	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000018180661	556685814	/nfs/dbraw/zinc/68/58/14/556685814.db2.gz	RPVNPNHAAGEORV-DEOSSOPVSA-N	0	0	429.476	6.077	50	30		IKEARN
C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2sc3ccccc3c2Cl)C1(C)C	ZINC000018213583	556687173	/nfs/dbraw/zinc/68/71/73/556687173.db2.gz	UWGWRVLVWZBCQF-GFMRDNFCSA-N	0	0	447.412	7.377	50	30		IKEARN
COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@@H]1c1ccco1	ZINC000018219499	556687450	/nfs/dbraw/zinc/68/74/50/556687450.db2.gz	WAPNHCQFZGTYRX-LMKMVOKYSA-N	0	0	428.488	5.355	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(=O)OC)cc1	ZINC000018254423	556688417	/nfs/dbraw/zinc/68/84/17/556688417.db2.gz	OKIUYZMDIWMXOC-DEOSSOPVSA-N	0	0	432.520	5.026	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018284763	556689023	/nfs/dbraw/zinc/68/90/23/556689023.db2.gz	WWSSKWKAQOULIF-NDEPHWFRSA-N	0	0	438.571	7.318	50	30		IKEARN
COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1	ZINC000018323446	556689342	/nfs/dbraw/zinc/68/93/42/556689342.db2.gz	MPDSXYRJWFCSBN-WXTAPIANSA-N	0	0	428.488	5.209	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1	ZINC000018285619	556689373	/nfs/dbraw/zinc/68/93/73/556689373.db2.gz	BXNREIQYHKIHTL-NGOKVRLYSA-N	0	0	440.518	6.136	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3ccccc3)C2)cc1	ZINC000018324465	556689598	/nfs/dbraw/zinc/68/95/98/556689598.db2.gz	CHAKSZGALGQIOW-KMRXNPHXSA-N	0	0	438.527	5.616	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2)cc1	ZINC000018324598	556689734	/nfs/dbraw/zinc/68/97/34/556689734.db2.gz	KFMRSICDARYYBV-WINIVTDRSA-N	0	0	426.516	5.683	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]23)cc1	ZINC000221542320	556700293	/nfs/dbraw/zinc/70/02/93/556700293.db2.gz	LRZMINYCHKGPFT-ZWQCLNLXSA-N	0	0	443.503	5.829	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2	ZINC000033026463	556703490	/nfs/dbraw/zinc/70/34/90/556703490.db2.gz	CEDOFBNGFVTUKT-XUSGNXJCSA-N	0	0	441.314	5.954	50	30		IKEARN
COc1ccc(Nc2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)cc1	ZINC000033027058	556704366	/nfs/dbraw/zinc/70/43/66/556704366.db2.gz	BFLDMQRQPJVNNT-UHFFFAOYSA-N	0	0	437.455	6.291	50	30		IKEARN
Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(N4CCc5ccccc5C4)o3)o2)c1	ZINC000033027191	556704667	/nfs/dbraw/zinc/70/46/67/556704667.db2.gz	NAQXBSPILZBVCN-UHFFFAOYSA-N	0	0	425.488	5.565	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)OC1CCCCC1	ZINC000061719540	556726402	/nfs/dbraw/zinc/72/64/02/556726402.db2.gz	CYUWWNQPILHEJD-UHFFFAOYSA-N	0	0	428.557	6.255	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000019314428	556735602	/nfs/dbraw/zinc/73/56/02/556735602.db2.gz	SLSZWDXRFHRQPW-RUZDIDTESA-N	0	0	445.559	5.433	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000019314434	556735680	/nfs/dbraw/zinc/73/56/80/556735680.db2.gz	KYYQNEMVKYSELL-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019339435	556739502	/nfs/dbraw/zinc/73/95/02/556739502.db2.gz	FOUPCSKNFATMEY-OALUTQOASA-N	0	0	430.162	6.096	50	30		IKEARN
CCOc1cccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1O	ZINC000001950153	556758649	/nfs/dbraw/zinc/75/86/49/556758649.db2.gz	PBQBPBNLNDCNDR-BRJLIKDPSA-N	0	0	427.287	6.657	50	30		IKEARN
C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2	ZINC000002219298	556759531	/nfs/dbraw/zinc/75/95/31/556759531.db2.gz	QASJOPPQXSWSRZ-UHFFFAOYSA-N	0	0	441.600	5.871	50	30		IKEARN
COc1ccccc1/N=C1\c2ccccc2N(CN2CCC(Cc3ccccc3)CC2)C1=O	ZINC000002247672	556759854	/nfs/dbraw/zinc/75/98/54/556759854.db2.gz	YLNFZQMYLJAABO-ORIPQNMZSA-N	0	0	439.559	5.075	50	30		IKEARN
Cc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1Cl	ZINC000005297428	556762497	/nfs/dbraw/zinc/76/24/97/556762497.db2.gz	MRDVMWVXRDOSFS-UHFFFAOYSA-N	0	0	436.946	6.964	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535668	556793905	/nfs/dbraw/zinc/79/39/05/556793905.db2.gz	ADYCWNXEYXARFO-HSZRJFAPSA-N	0	0	435.951	5.687	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c2ccccc2cc2ccccc21	ZINC000019535707	556793941	/nfs/dbraw/zinc/79/39/41/556793941.db2.gz	VDXADYOWHQEHPH-MHZLTWQESA-N	0	0	439.555	6.160	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2OC(C)C)C2=C(CCCC2=O)N1	ZINC000019536173	556794130	/nfs/dbraw/zinc/79/41/30/556794130.db2.gz	DJZBLXGFFYGOPQ-RUZDIDTESA-N	0	0	431.532	5.185	50	30		IKEARN
CCCCCCCC(=O)NCc1cccc(-c2nc(-c3cc(OC)ccc3OC)c[nH]2)c1	ZINC000097940608	556809963	/nfs/dbraw/zinc/80/99/63/556809963.db2.gz	ZUOBDOIIQAWHIA-UHFFFAOYSA-N	0	0	435.568	5.738	50	30	biogenic	IKEARN
N#CCCN(C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1	ZINC000003320348	556810197	/nfs/dbraw/zinc/81/01/97/556810197.db2.gz	MITQHNZVFMYBOV-UHFFFAOYSA-N	0	0	445.573	5.035	50	30		IKEARN
N#CC(Cc1ccccc1Cl)(Cc1ccccc1Cl)C(=O)NCCc1ccccc1	ZINC000003324716	556810425	/nfs/dbraw/zinc/81/04/25/556810425.db2.gz	QIWWYWYEIHTJLR-UHFFFAOYSA-N	0	0	437.370	5.647	50	30		IKEARN
C=CCn1c(SCc2cccc(Br)c2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003323486	556810481	/nfs/dbraw/zinc/81/04/81/556810481.db2.gz	DIEVYAOGQYKIPV-UHFFFAOYSA-N	0	0	442.426	6.483	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)/C=C/c1cn(-c3ccccc3)nc1-c1cccs1)CCC2	ZINC000003356903	556811609	/nfs/dbraw/zinc/81/16/09/556811609.db2.gz	VDYUCVTWYBSOLJ-VAWYXSNFSA-N	0	0	442.569	5.675	50	30		IKEARN
N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc21	ZINC000003390265	556814108	/nfs/dbraw/zinc/81/41/08/556814108.db2.gz	MWQFIAKJTFRWDA-UHFFFAOYSA-N	0	0	441.874	5.222	50	30		IKEARN
COc1ccc(/C=N/CC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC	ZINC000096448089	556814392	/nfs/dbraw/zinc/81/43/92/556814392.db2.gz	ODWKEQAUZHUXKA-HLAFJECWSA-N	0	0	425.569	5.510	50	30	biogenic	IKEARN
Cc1ccc(N(CCC#N)C(=O)CSc2ncnc3sc4c(c32)CC[C@H](C)C4)cc1	ZINC000003398418	556814435	/nfs/dbraw/zinc/81/44/35/556814435.db2.gz	PEIJSPBQJHRPPT-INIZCTEOSA-N	0	0	436.606	5.164	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000005570542	556826354	/nfs/dbraw/zinc/82/63/54/556826354.db2.gz	ILVTYODCIRQXFS-DEOSSOPVSA-N	0	0	426.564	5.447	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019631386	556832567	/nfs/dbraw/zinc/83/25/67/556832567.db2.gz	QITBWJCJYYXBIR-LJQANCHMSA-N	0	0	440.392	5.258	50	30		IKEARN
Fc1ccc(Cn2cc(/C=N/NC(=S)NC3CCCCC3)c3ccccc32)c(Cl)c1	ZINC000019637587	556835950	/nfs/dbraw/zinc/83/59/50/556835950.db2.gz	GYSATZVWGMAZQU-LGJNPRDNSA-N	0	0	442.991	5.613	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019638530	556836443	/nfs/dbraw/zinc/83/64/43/556836443.db2.gz	XEXSXBVLADCZJZ-FNZWTVRRSA-N	0	0	443.543	5.240	50	30		IKEARN
CCCCCCCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1	ZINC000097946822	556840150	/nfs/dbraw/zinc/84/01/50/556840150.db2.gz	MQKSSKISGXYPIP-GKKKVQSUSA-N	0	0	445.588	5.218	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019646926	556840681	/nfs/dbraw/zinc/84/06/81/556840681.db2.gz	JSUGGEPXMUWXJH-RBZFPXEDSA-N	0	0	448.371	5.590	50	30		IKEARN
C=CCn1c(COc2cccc(C)c2)nnc1SCc1csc(Nc2ccccc2)n1	ZINC000008707744	556842486	/nfs/dbraw/zinc/84/24/86/556842486.db2.gz	VZPYYJPVJBTVHX-UHFFFAOYSA-N	0	0	449.605	5.844	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)c(F)c1	ZINC000096765577	556842747	/nfs/dbraw/zinc/84/27/47/556842747.db2.gz	XVVLFOIJLFROIC-CLTKARDFSA-N	0	0	446.305	6.125	50	30		IKEARN
CCCCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3	ZINC000097951145	556848559	/nfs/dbraw/zinc/84/85/59/556848559.db2.gz	FLJMDZNMLJQVLU-UHFFFAOYSA-N	0	0	427.683	7.523	50	30		IKEARN
CCCCCCCCn1c(N)c(C(=O)OCCCCCCC)c2nc3ccccc3nc21	ZINC000097953096	556850037	/nfs/dbraw/zinc/85/00/37/556850037.db2.gz	CYMYMIGBLOPCAA-UHFFFAOYSA-N	0	0	438.616	6.654	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccccc2C)C1	ZINC000097953938	556850255	/nfs/dbraw/zinc/85/02/55/556850255.db2.gz	JVAONTSLNCYECV-QHCPKHFHSA-N	0	0	431.624	7.006	50	30		IKEARN
C=CCn1c(SCc2nnc(-c3cc(C)c(CC)s3)o2)nnc1-c1ccoc1C	ZINC000008935786	556852657	/nfs/dbraw/zinc/85/26/57/556852657.db2.gz	RBQMLVGRQUTPSZ-UHFFFAOYSA-N	0	0	427.555	5.307	50	30		IKEARN
CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)c1O	ZINC000033097081	556858297	/nfs/dbraw/zinc/85/82/97/556858297.db2.gz	JOJIOOVINFSSSJ-LNLSZRECSA-N	0	0	438.597	5.783	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1	ZINC000033097090	556858333	/nfs/dbraw/zinc/85/83/33/556858333.db2.gz	XTGBMTDYYFWIIP-TWILBZOKSA-N	0	0	438.597	5.696	50	30		IKEARN
N#Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1	ZINC000033169030	556881130	/nfs/dbraw/zinc/88/11/30/556881130.db2.gz	KUAKICQVDSRRMZ-UHFFFAOYSA-N	0	0	425.922	5.289	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000019762661	556907040	/nfs/dbraw/zinc/90/70/40/556907040.db2.gz	PZLCEOCVSXGAHN-HSZRJFAPSA-N	0	0	437.923	5.060	50	30		IKEARN
COc1cc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)ccc1OCc1ccccc1	ZINC000019771493	556913103	/nfs/dbraw/zinc/91/31/03/556913103.db2.gz	VNDRUXQCBKDZQX-MTDXEUNCSA-N	0	0	449.982	5.079	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(C)cc1	ZINC000019827932	556926254	/nfs/dbraw/zinc/92/62/54/556926254.db2.gz	PKAPHACYLSPAAN-NTKDMRAZSA-N	0	0	435.951	5.573	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019832359	556927323	/nfs/dbraw/zinc/92/73/23/556927323.db2.gz	PDSNKZYSTISUEI-KOSHJBKYSA-N	0	0	435.951	5.653	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000019832531	556927382	/nfs/dbraw/zinc/92/73/82/556927382.db2.gz	VJVHKTKWGJZVPO-VPUSJEBWSA-N	0	0	431.535	6.396	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1	ZINC000019855370	556931431	/nfs/dbraw/zinc/93/14/31/556931431.db2.gz	JZVUAWGNWBCWQD-UQBPGWFLSA-N	0	0	449.522	5.148	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2ccc(F)cc2)cc1	ZINC000019855372	556931453	/nfs/dbraw/zinc/93/14/53/556931453.db2.gz	JZVUAWGNWBCWQD-KBMIEXCESA-N	0	0	449.522	5.148	50	30		IKEARN
CC(C)(C)c1ccc(CSCCNC2=CC(=O)C[C@H](c3ccc4c(c3)OCO4)C2)cc1	ZINC000019880105	556936803	/nfs/dbraw/zinc/93/68/03/556936803.db2.gz	RLFDRMULMPLOKN-HXUWFJFHSA-N	0	0	437.605	5.566	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000019898833	556941456	/nfs/dbraw/zinc/94/14/56/556941456.db2.gz	VRAHPYATKVSEBV-QFIPXVFZSA-N	0	0	432.907	5.641	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1OC	ZINC000019913783	556943651	/nfs/dbraw/zinc/94/36/51/556943651.db2.gz	ZZWNPAHKQXMZTG-UHFFFAOYSA-N	0	0	443.971	5.330	50	30		IKEARN
CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)ccc1O	ZINC000019924491	556944639	/nfs/dbraw/zinc/94/46/39/556944639.db2.gz	AHQKVZCGGJHCHU-WMMPRDMWSA-N	0	0	438.597	5.783	50	30		IKEARN
CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@@H](C(C)(C)CC)CC4)ccc1O	ZINC000019924494	556944660	/nfs/dbraw/zinc/94/46/60/556944660.db2.gz	AHQKVZCGGJHCHU-BYEGDDEQSA-N	0	0	438.597	5.783	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccsc2)[C@H](C(=O)c2ccc(F)cc2)N2C=Cc3ccccc3[C@H]21	ZINC000019938719	556953004	/nfs/dbraw/zinc/95/30/04/556953004.db2.gz	SXFNBWGSJKKUGK-ZDXQCDESSA-N	0	0	425.488	5.297	50	30		IKEARN
CC(C)c1ccc(NC(=S)C2=C(NC3Cc4ccccc4C3)CC(C)(C)CC2=O)cc1	ZINC000019944005	556953878	/nfs/dbraw/zinc/95/38/78/556953878.db2.gz	AQRWNBILUSNHMJ-UHFFFAOYSA-N	0	0	432.633	5.950	50	30		IKEARN
O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1cccc(OC(F)F)c1	ZINC000020028599	556967494	/nfs/dbraw/zinc/96/74/94/556967494.db2.gz	UWIDHHCBBMUYBJ-VOTSOKGWSA-N	0	0	441.305	5.109	50	30		IKEARN
O=C(/C=C/N1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC(F)F)cc1	ZINC000020028588	556967540	/nfs/dbraw/zinc/96/75/40/556967540.db2.gz	DWKVQCMBWKZEIQ-BQYQJAHWSA-N	0	0	441.305	5.109	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1cccc(N2CCOCC2)c1	ZINC000096794658	556974898	/nfs/dbraw/zinc/97/48/98/556974898.db2.gz	VYPGZDFRJSHXOJ-NTMALXAHSA-N	0	0	438.321	5.442	50	30		IKEARN
CCn1c2ccccc2c2cc(/C=N/N3CCN(Cc4ccccc4Cl)CC3)ccc21	ZINC000020058091	556975374	/nfs/dbraw/zinc/97/53/74/556975374.db2.gz	DXPJGVXTPCXBRN-MTDXEUNCSA-N	0	0	430.983	5.620	50	30		IKEARN
C[C@@H](Nc1oc(-c2ccc(Br)o2)nc1C#N)c1cccc(C(F)(F)F)c1	ZINC000072427665	556979832	/nfs/dbraw/zinc/97/98/32/556979832.db2.gz	XUNFIZUMKPJMPK-SECBINFHSA-N	0	0	426.192	5.761	50	30		IKEARN
CC(C)(C)N=C1Nc2ccccc2N[C@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2	ZINC000097088244	556983599	/nfs/dbraw/zinc/98/35/99/556983599.db2.gz	FWFPVRCPVAQXCR-QHCPKHFHSA-N	0	0	427.499	5.066	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)cc1	ZINC000097961219	556986371	/nfs/dbraw/zinc/98/63/71/556986371.db2.gz	DUORJTVBVQJQNS-HGLPBTONSA-N	0	0	448.691	8.874	50	30	biogenic	IKEARN
CCCCCCCCCCCCS(=O)(=O)N/N=C1\N(CC)c2ccccc2C1(C)C	ZINC000097962833	556986631	/nfs/dbraw/zinc/98/66/31/556986631.db2.gz	DOHUPDBBIHLCMC-BZZOAKBMSA-N	0	0	435.678	5.958	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000097968964	556989554	/nfs/dbraw/zinc/98/95/54/556989554.db2.gz	PLAMASJBLAMQKA-OQKWZONESA-N	0	0	425.550	6.372	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc21	ZINC000097998505	557004393	/nfs/dbraw/zinc/00/43/93/557004393.db2.gz	WNGKNWCPADMINN-UHFFFAOYSA-N	0	0	448.611	6.575	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/N=C(c3cc(Cl)ccc3OC)OC2=O)cc1	ZINC000097997920	557004401	/nfs/dbraw/zinc/00/44/01/557004401.db2.gz	VDWQILURVVPFFS-CJLVFECKSA-N	0	0	441.955	6.432	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)C(c2ccccc2)c2ccccc2)c(C#N)c1C	ZINC000013967104	557005814	/nfs/dbraw/zinc/00/58/14/557005814.db2.gz	JOMWIVAMICQRIW-UHFFFAOYSA-N	0	0	431.561	5.181	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c(C)c1	ZINC000032943036	557011784	/nfs/dbraw/zinc/01/17/84/557011784.db2.gz	ZVHLHKFNBNNJLN-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
FC(F)(F)C(F)(F)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2Cl)O1	ZINC000098002729	557012289	/nfs/dbraw/zinc/01/22/89/557012289.db2.gz	AXKUNQYLAVTVBG-UHFFFAOYSA-N	0	0	448.619	5.534	50	30		IKEARN
CCCCCCCCCCCCNC(=O)c1ccc(NC(=O)CCCCCCC)cc1	ZINC000098001257	557012291	/nfs/dbraw/zinc/01/22/91/557012291.db2.gz	NMGSQLUURHDKBX-UHFFFAOYSA-N	0	0	430.677	7.636	50	30	biogenic	IKEARN
CCCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1	ZINC000098001354	557012293	/nfs/dbraw/zinc/01/22/93/557012293.db2.gz	CRKFNRNVXLLMSV-UHFFFAOYSA-N	0	0	445.688	8.453	50	30	biogenic	IKEARN
CCCCCCCCCCCCCCCCCCN1C(=O)c2cccc3cccc(c32)C1=O	ZINC000098001433	557012320	/nfs/dbraw/zinc/01/23/20/557012320.db2.gz	XJTZVCNDQKHKRJ-UHFFFAOYSA-N	0	0	449.679	8.697	50	30		IKEARN
CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@H](C)c1ccccc1	ZINC000020392403	557012786	/nfs/dbraw/zinc/01/27/86/557012786.db2.gz	PKQMGLPIULAKDM-GFCCVEGCSA-N	0	0	432.408	5.988	50	30		IKEARN
CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1[C@@H](C)c1ccccc1	ZINC000020392407	557012823	/nfs/dbraw/zinc/01/28/23/557012823.db2.gz	PKQMGLPIULAKDM-LBPRGKRZSA-N	0	0	432.408	5.988	50	30		IKEARN
COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C)cc2C)c1	ZINC000032943032	557013949	/nfs/dbraw/zinc/01/39/49/557013949.db2.gz	UZWJXJKATJZCER-UHFFFAOYSA-N	0	0	440.547	5.234	50	30	biogenic	IKEARN
CC(=CNOC(=O)c1cc2ccccc2s1)N=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000020413197	557014514	/nfs/dbraw/zinc/01/45/14/557014514.db2.gz	VKTMYCYIAZEJOP-HHAMRVRLSA-N	0	0	440.739	6.492	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943054	557015059	/nfs/dbraw/zinc/01/50/59/557015059.db2.gz	ZPQRFSZRERRVRU-UHFFFAOYSA-N	0	0	444.966	5.824	50	30		IKEARN
COc1ccccc1NC(=NC(=O)c1ccccc1Cl)NCCc1c[nH]c2ccccc12	ZINC000032943168	557017297	/nfs/dbraw/zinc/01/72/97/557017297.db2.gz	JPUNZOQIHFQMGV-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(Cl)ccc2C)cc1	ZINC000032943250	557018010	/nfs/dbraw/zinc/01/80/10/557018010.db2.gz	BDSPPEARICHCLL-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1ccc(C)c(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943340	557018203	/nfs/dbraw/zinc/01/82/03/557018203.db2.gz	UXQMGWAAOZIMEI-UHFFFAOYSA-N	0	0	442.538	5.673	50	30		IKEARN
Cc1ccc(C)c(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943330	557018512	/nfs/dbraw/zinc/01/85/12/557018512.db2.gz	VMOLSDMUBZUTKX-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)cc1	ZINC000098022930	557028273	/nfs/dbraw/zinc/02/82/73/557028273.db2.gz	VXNVHNQTCVOTEH-RUZDIDTESA-N	0	0	442.600	6.602	50	30		IKEARN
CCCCOc1ccc(C(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1	ZINC000023153761	557028544	/nfs/dbraw/zinc/02/85/44/557028544.db2.gz	XKFBRTYLQSZLCJ-UHFFFAOYSA-N	0	0	445.588	5.609	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1	ZINC000098021313	557029077	/nfs/dbraw/zinc/02/90/77/557029077.db2.gz	BBFGQDJEHFMWER-RUZDIDTESA-N	0	0	442.600	6.684	50	30		IKEARN
CCCCCCCC(=O)Nc1ccccc1[C@@H]1SCC(=O)N1c1ccccc1OC	ZINC000098021304	557029102	/nfs/dbraw/zinc/02/91/02/557029102.db2.gz	LGSJAVJNBHTZMX-DEOSSOPVSA-N	0	0	426.582	5.773	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)c1	ZINC000032946178	557030508	/nfs/dbraw/zinc/03/05/08/557030508.db2.gz	GODVTQMCVWRJAZ-UHFFFAOYSA-N	0	0	446.982	5.387	50	30		IKEARN
O=C(/C=C/c1ccc2cccnc2c1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000017191571	557037296	/nfs/dbraw/zinc/03/72/96/557037296.db2.gz	ZNIJKFJWEBVTNH-UKTHLTGXSA-N	0	0	436.898	6.293	50	30		IKEARN
O=C1N[C@](c2ccccc2)(C(F)(F)F)S/C(=N\C2CCCCC2)N1C1CCCCC1	ZINC000017178368	557038184	/nfs/dbraw/zinc/03/81/84/557038184.db2.gz	QXPCMONMGSTKOM-JDFKBJJRSA-N	0	0	439.547	6.182	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCc2ccccn2)Nc2cccc(C(F)(F)F)c2)cc1C	ZINC000046126865	557038501	/nfs/dbraw/zinc/03/85/01/557038501.db2.gz	QLNZBHMPEDURBU-UHFFFAOYSA-N	0	0	426.442	5.115	50	30		IKEARN
CCCCCCCCCOc1ccc(-c2ccc(CCCCCCCCC)cn2)c(O)c1	ZINC000098044746	557046065	/nfs/dbraw/zinc/04/60/65/557046065.db2.gz	QMGYWYBIYBRMPG-UHFFFAOYSA-N	0	0	439.684	8.877	50	30		IKEARN
CCOC(=O)c1c2c(C#N)c(CSc3ccc(Cl)cc3)cn2c2ccccc2c1C	ZINC000048229437	557048690	/nfs/dbraw/zinc/04/86/90/557048690.db2.gz	XCQBCHHVJGLZPN-UHFFFAOYSA-N	0	0	434.948	6.395	50	30		IKEARN
C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1	ZINC000033271491	557049134	/nfs/dbraw/zinc/04/91/34/557049134.db2.gz	YZVJAHKIUBMVHT-SFHVURJKSA-N	0	0	430.533	5.138	50	30		IKEARN
C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)cc1	ZINC000033271490	557049261	/nfs/dbraw/zinc/04/92/61/557049261.db2.gz	YZVJAHKIUBMVHT-GOSISDBHSA-N	0	0	430.533	5.138	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3c(CC)cccc3CC)cc2-c2ccccc2S1(=O)=O	ZINC000033271933	557050347	/nfs/dbraw/zinc/05/03/47/557050347.db2.gz	BORBMSNNQMZAPS-UHFFFAOYSA-N	0	0	446.572	5.425	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(N2CCOCC2)cc1	ZINC000048253041	557052247	/nfs/dbraw/zinc/05/22/47/557052247.db2.gz	PPSZQGMYIBBZHA-RMKNXTFCSA-N	0	0	428.315	5.986	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1	ZINC000048252875	557052251	/nfs/dbraw/zinc/05/22/51/557052251.db2.gz	HHYLNDUEXQCOKD-PKNBQFBNSA-N	0	0	438.321	5.442	50	30		IKEARN
Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1/N=C/c1ccc(OCCCC(C)C)cc1	ZINC000004737238	557057845	/nfs/dbraw/zinc/05/78/45/557057845.db2.gz	NLUAOFURCOUWCG-AJBULDERSA-N	0	0	429.648	8.028	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1	ZINC000048303090	557064457	/nfs/dbraw/zinc/06/44/57/557064457.db2.gz	IPRHKOLOWXIVPG-VQHVLOKHSA-N	0	0	428.315	5.986	50	30		IKEARN
Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1	ZINC000033293966	557072263	/nfs/dbraw/zinc/07/22/63/557072263.db2.gz	WDDOOQVKKGTHIE-LDADJPATSA-N	0	0	432.530	5.507	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2c(OC)ccc3ccccc32)S/C1=N\c1ccccc1	ZINC000023410832	557091271	/nfs/dbraw/zinc/09/12/71/557091271.db2.gz	VFKLXYWMVBLTJV-PFMNSIPKSA-N	0	0	432.545	5.489	50	30		IKEARN
Cc1cccc(C)c1/N=C1\Oc2ccccc2N(C(=O)C(F)(F)F)[C@]1(C)c1ccccn1	ZINC000004763286	557093822	/nfs/dbraw/zinc/09/38/22/557093822.db2.gz	BTVFTQFAISVIFA-WEHFJGPMSA-N	0	0	439.437	5.632	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)c(OC)c1)C2	ZINC000033321133	557106059	/nfs/dbraw/zinc/10/60/59/557106059.db2.gz	QUFAHBDDTDEJPC-VOIUYBSRSA-N	0	0	446.503	5.054	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(O)c(OC)c1)C2	ZINC000033321132	557106091	/nfs/dbraw/zinc/10/60/91/557106091.db2.gz	QUFAHBDDTDEJPC-GYCJOSAFSA-N	0	0	446.503	5.054	50	30		IKEARN
C[C@@H]1CCCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)C1	ZINC000033324471	557106361	/nfs/dbraw/zinc/10/63/61/557106361.db2.gz	BFDQSXGTUVUUFP-CQSZACIVSA-N	0	0	442.313	5.384	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccc(Br)cc3)o2)oc1NCc1ccco1	ZINC000033324447	557106389	/nfs/dbraw/zinc/10/63/89/557106389.db2.gz	OWIDJIMUTPJCTJ-UHFFFAOYSA-N	0	0	440.253	5.353	50	30		IKEARN
C=CCn1c(-c2ccc(-c3ccccc3)cc2)csc1=NNC(=O)Nc1ccccc1	ZINC000017729768	557112815	/nfs/dbraw/zinc/11/28/15/557112815.db2.gz	FRDLAGRDCPPIOK-FVDSYPCUSA-N	0	0	426.545	5.911	50	30		IKEARN
COc1cc(/C=C2\CC/C(=C/c3ccc(OC(C)C)c(OC)c3)C2=O)ccc1OC(C)C	ZINC000033334027	557117349	/nfs/dbraw/zinc/11/73/49/557117349.db2.gz	BPFXIWBXTKYKNV-VOKWCDJLSA-N	0	0	436.548	6.108	50	30		IKEARN
COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)cc1OC	ZINC000014922462	557121351	/nfs/dbraw/zinc/12/13/51/557121351.db2.gz	RJJMZFOHEQRUCY-YSURURNPSA-N	0	0	441.862	5.946	50	30		IKEARN
Cc1ccc(Cl)cc1-c1ccc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)o1	ZINC000033347567	557123042	/nfs/dbraw/zinc/12/30/42/557123042.db2.gz	BFHPEEGDNAPDDT-ODLFYWEKSA-N	0	0	429.328	6.453	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC	ZINC000033349268	557127667	/nfs/dbraw/zinc/12/76/67/557127667.db2.gz	UOGUPGAITPLEMD-WOJGMQOQSA-N	0	0	433.888	5.289	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC	ZINC000033349368	557127712	/nfs/dbraw/zinc/12/77/12/557127712.db2.gz	ZLOQDEMQFPTAIE-LICLKQGHSA-N	0	0	434.300	5.255	50	30		IKEARN
C#CCOc1c(Cl)cc(C=C2SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC	ZINC000033349642	557127760	/nfs/dbraw/zinc/12/77/60/557127760.db2.gz	KODLHJUTWZDHFO-DEDYPNTBSA-N	0	0	440.952	5.450	50	30		IKEARN
Cc1cc(Cl)c(S(=O)(=O)N/N=C\c2ccc(OCc3ccccc3)cc2)c(Cl)c1	ZINC000033352643	557128127	/nfs/dbraw/zinc/12/81/27/557128127.db2.gz	TZWGFLJJIXSACP-CFRMEGHHSA-N	0	0	449.359	5.193	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSCC/N=C/c1ccc(O)cc1O	ZINC000033354152	557129871	/nfs/dbraw/zinc/12/98/71/557129871.db2.gz	TXQJBARSXVYLGF-ZZIIXHQDSA-N	0	0	449.745	8.511	50	30		IKEARN
CCCCCCCCOC(=O)[C@@H](CSCc1ccccc1)NC(=O)c1ccccc1	ZINC000033354430	557130757	/nfs/dbraw/zinc/13/07/57/557130757.db2.gz	CVNMVWYEEXXDLC-HSZRJFAPSA-N	0	0	427.610	5.622	50	30	biogenic	IKEARN
C#CCOc1cc(Br)c([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC	ZINC000002776226	557132100	/nfs/dbraw/zinc/13/21/00/557132100.db2.gz	BVJODGJFCNGHAW-QGZVFWFLSA-N	0	0	436.305	5.097	50	30		IKEARN
COc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000009041176	557133083	/nfs/dbraw/zinc/13/30/83/557133083.db2.gz	DYQWWXXDCPZJAQ-QHCPKHFHSA-N	0	0	431.488	5.190	50	30		IKEARN
CC[N+](CC)(CCC/C(=N\[O-])C(O)(c1ccccc1)c1ccccc1)Cc1ccccc1	ZINC000004808267	557134619	/nfs/dbraw/zinc/13/46/19/557134619.db2.gz	RDRXJUPAAVBLKZ-ORIPQNMZSA-O	0	0	431.600	5.590	50	30		IKEARN
CSc1sc(C)cc1[C@H]1C(C(=O)Nc2ccc(C)cn2)=C(C)NC2=C1C(=O)CCC2	ZINC000009985056	557142757	/nfs/dbraw/zinc/14/27/57/557142757.db2.gz	DNMTVJMATFLCQQ-FQEVSTJZSA-N	0	0	439.606	5.088	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCCC)cc1	ZINC000003146381	557144279	/nfs/dbraw/zinc/14/42/79/557144279.db2.gz	BSKNHUYOLRAHTQ-XMMPIXPASA-N	0	0	439.596	5.813	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC	ZINC000003146698	557144282	/nfs/dbraw/zinc/14/42/82/557144282.db2.gz	GHDFLDDQEXFYLU-QHCPKHFHSA-N	0	0	441.568	5.041	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(Cl)cc1Cl	ZINC000016247899	557148057	/nfs/dbraw/zinc/14/80/57/557148057.db2.gz	GFRHSMQNJXCAJM-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@H](c2ccc(OCc4ccccc4)cc2)C2=C(CCCC2=O)N3)n1	ZINC000000718229	557148520	/nfs/dbraw/zinc/14/85/20/557148520.db2.gz	CYJCERZENOXEDI-NDEPHWFRSA-N	0	0	446.550	6.687	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3cccc(C)n3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009861205	557152530	/nfs/dbraw/zinc/15/25/30/557152530.db2.gz	VMSZIZZFUSRMGY-XMMPIXPASA-N	0	0	445.563	5.031	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC	ZINC000000781127	557176468	/nfs/dbraw/zinc/17/64/68/557176468.db2.gz	AMBPRWLLGRGDJA-MMTVBGGISA-N	0	0	440.543	5.992	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(Br)ccc3O)C2=N)S1	ZINC000097966218	557180223	/nfs/dbraw/zinc/18/02/23/557180223.db2.gz	DRUBGDOYKQFQPZ-YMGOLSLPSA-N	0	0	449.374	5.134	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccco1	ZINC000009306086	557186078	/nfs/dbraw/zinc/18/60/78/557186078.db2.gz	WSTAYYDYEFXLJH-UHFFFAOYSA-N	0	0	443.743	5.415	50	30		IKEARN
O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	ZINC000097993040	557187590	/nfs/dbraw/zinc/18/75/90/557187590.db2.gz	YGWPNMBKQYDKMF-KXFIGUGUSA-N	0	0	432.288	5.739	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc(NC(=O)CCCCCCCCC)cc1	ZINC000098001384	557188838	/nfs/dbraw/zinc/18/88/38/557188838.db2.gz	WGKAXUFQNMRISR-UHFFFAOYSA-N	0	0	431.661	8.063	50	30	biogenic	IKEARN
COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4cccc(C)c4C)n3)oc21	ZINC000098000621	557188906	/nfs/dbraw/zinc/18/89/06/557188906.db2.gz	GPQIJOKWTGVQHC-QXMHVHEDSA-N	0	0	446.528	6.095	50	30		IKEARN
C=CCNC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C/c1cccs1	ZINC000100825746	557189783	/nfs/dbraw/zinc/18/97/83/557189783.db2.gz	BIPIQBZJHZFACR-SCDSTIRESA-N	0	0	432.545	5.021	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4F)nn3[C@@H](c3ccccc3Cl)C12	ZINC000096319731	557199463	/nfs/dbraw/zinc/19/94/63/557199463.db2.gz	ZANBSNHVQUHHKS-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1F	ZINC000000796172	557209031	/nfs/dbraw/zinc/20/90/31/557209031.db2.gz	FCZUYRRMNXRNNS-UHFFFAOYSA-N	0	0	447.506	5.114	50	30		IKEARN
CC1=CC(C)(C)NC(=S)N1c1ccc(C(=O)C=Cc2ccc(Cl)cc2Cl)cc1	ZINC000100984972	557209885	/nfs/dbraw/zinc/20/98/85/557209885.db2.gz	CSDFWDDSRJQBNW-YRNVUSSQSA-N	0	0	431.388	6.266	50	30		IKEARN
Oc1ccc2ccccc2c1CN=Nc1ncnc2scc(-c3ccc(Cl)cc3)c21	ZINC000025583655	557217395	/nfs/dbraw/zinc/21/73/95/557217395.db2.gz	TWGKAJHNSKEEGN-LUOAPIJWSA-N	0	0	430.920	6.317	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013693	557224991	/nfs/dbraw/zinc/22/49/91/557224991.db2.gz	UOLSNFLKQATORM-DEOSSOPVSA-N	0	0	432.539	5.631	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000101075851	557225789	/nfs/dbraw/zinc/22/57/89/557225789.db2.gz	CUZHAURJCHYASZ-YDJIHCHBSA-N	0	0	434.289	5.075	50	30		IKEARN
CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=N)S1	ZINC000097944934	557229950	/nfs/dbraw/zinc/22/99/50/557229950.db2.gz	WZZYFYYJSCDNGW-OCTOJFLBSA-N	0	0	438.528	6.065	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N[C@@H](Nn1cnnc1)C(Cl)(Cl)Cl	ZINC000097950949	557230655	/nfs/dbraw/zinc/23/06/55/557230655.db2.gz	NHYATYLVGJSZJG-KRWDZBQOSA-N	0	0	440.847	5.335	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(CC)cc2)cc1	ZINC000098021391	557232251	/nfs/dbraw/zinc/23/22/51/557232251.db2.gz	QCVFHRMQHKDPKF-AREMUKBSSA-N	0	0	438.637	6.717	50	30		IKEARN
C/C(=N\c1c(C(C)C)cccc1C(C)C)c1cccc(OP(C(C)(C)C)C(C)(C)C)n1	ZINC000098043383	557232645	/nfs/dbraw/zinc/23/26/45/557232645.db2.gz	UMZSGKRJFYPVEF-VFCFBJKWSA-N	0	0	440.612	8.842	50	30		IKEARN
CC1(C)CC(=O)C(C(c2cc([N+](=O)[O-])ccc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003531	557236892	/nfs/dbraw/zinc/23/68/92/557236892.db2.gz	DBPFAJNWKCOZOA-IBGZPJMESA-N	0	0	447.915	5.107	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Cl)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003718	557236912	/nfs/dbraw/zinc/23/69/12/557236912.db2.gz	QUYQBEJRYLGLOV-LJQANCHMSA-N	0	0	447.915	5.107	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100006857	557237278	/nfs/dbraw/zinc/23/72/78/557237278.db2.gz	NAVBTWPITMDHNM-IBGZPJMESA-N	0	0	447.369	5.308	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100006831	557237284	/nfs/dbraw/zinc/23/72/84/557237284.db2.gz	DQTUPAIZFSEFNI-IBGZPJMESA-N	0	0	437.363	5.853	50	30		IKEARN
O=C1C[C@H](SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1cccc(Cl)c1	ZINC000100032804	557238138	/nfs/dbraw/zinc/23/81/38/557238138.db2.gz	DMTGWMBPXZPIDN-FQEVSTJZSA-N	0	0	435.936	5.505	50	30		IKEARN
CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000100046937	557238809	/nfs/dbraw/zinc/23/88/09/557238809.db2.gz	WRYIIOKOQSICTB-UHFFFAOYSA-N	0	0	432.264	7.476	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3ccc(OC)cc3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950820	557239079	/nfs/dbraw/zinc/23/90/79/557239079.db2.gz	RMCNOFWMOGJHQW-UHFFFAOYSA-N	0	0	437.492	5.046	50	30		IKEARN
CCCCCCCCCCOc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1	ZINC000100067553	557239116	/nfs/dbraw/zinc/23/91/16/557239116.db2.gz	PAFDWGGOUSGOKZ-UHFFFAOYSA-N	0	0	444.619	7.444	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000026458892	557241628	/nfs/dbraw/zinc/24/16/28/557241628.db2.gz	ZVGPQTYFCIDOCY-QHCPKHFHSA-N	0	0	449.478	5.329	50	30		IKEARN
N#Cc1c2c(c(N3CCOCC3)nc1SCc1ccc(Cl)c(Cl)c1)CCCC2	ZINC000018142112	557242767	/nfs/dbraw/zinc/24/27/67/557242767.db2.gz	HBUSOGTYFVMSIC-UHFFFAOYSA-N	0	0	434.392	5.268	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000018156947	557244570	/nfs/dbraw/zinc/24/45/70/557244570.db2.gz	VUXPEMRNQDGDKF-LYZGTLIUSA-N	0	0	440.518	6.055	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1COc1ccc(F)cc1	ZINC000018172703	557245249	/nfs/dbraw/zinc/24/52/49/557245249.db2.gz	LIZRBLCKQSXCIM-UHFFFAOYSA-N	0	0	431.511	5.588	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000018166734	557245289	/nfs/dbraw/zinc/24/52/89/557245289.db2.gz	VUXPEMRNQDGDKF-RBTNQOKQSA-N	0	0	440.518	6.055	50	30		IKEARN
CSc1ccc([C@@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000018195212	557247617	/nfs/dbraw/zinc/24/76/17/557247617.db2.gz	GHICSDMMNMNMKW-FQEVSTJZSA-N	0	0	431.561	5.088	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Cl)c1Cl	ZINC000018195706	557247907	/nfs/dbraw/zinc/24/79/07/557247907.db2.gz	BTSCACKNJHAWSW-QGZVFWFLSA-N	0	0	426.303	5.037	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)c(Cl)c1	ZINC000018196063	557247914	/nfs/dbraw/zinc/24/79/14/557247914.db2.gz	OAQLJFMJSUJXHE-SFHVURJKSA-N	0	0	426.303	5.037	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196823	557248308	/nfs/dbraw/zinc/24/83/08/557248308.db2.gz	HMFASLZNPOGAOM-SANMLTNESA-N	0	0	425.484	5.559	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2	ZINC000018196527	557248311	/nfs/dbraw/zinc/24/83/11/557248311.db2.gz	LVADXVUHQUATHL-JOCHJYFZSA-N	0	0	449.348	5.534	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1cccc(Cl)c1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196455	557248327	/nfs/dbraw/zinc/24/83/27/557248327.db2.gz	JLVGSBSCDDEIGY-VFZGTOFNSA-N	0	0	432.332	5.442	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Br)cc1)C1=C(CCCC1=O)O2	ZINC000018196525	557248331	/nfs/dbraw/zinc/24/83/31/557248331.db2.gz	LVADXVUHQUATHL-QFIPXVFZSA-N	0	0	449.348	5.534	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1cccs1	ZINC000018196871	557248339	/nfs/dbraw/zinc/24/83/39/557248339.db2.gz	SQACQJKZINATSO-QKKBWIMNSA-N	0	0	445.569	5.247	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000018196608	557248397	/nfs/dbraw/zinc/24/83/97/557248397.db2.gz	YTTZVWJKAJHGPI-XMMPIXPASA-N	0	0	449.510	5.522	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3	ZINC000018196829	557248411	/nfs/dbraw/zinc/24/84/11/557248411.db2.gz	METSHPXHVXMWDW-AREMUKBSSA-N	0	0	425.484	5.559	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196406	557248416	/nfs/dbraw/zinc/24/84/16/557248416.db2.gz	QEYTXOORWHXMGP-QFYYESIMSA-N	0	0	432.332	5.442	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1	ZINC000018196906	557248425	/nfs/dbraw/zinc/24/84/25/557248425.db2.gz	VVZJJOOVIGABQJ-RUZDIDTESA-N	0	0	426.516	5.336	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018200059	557249007	/nfs/dbraw/zinc/24/90/07/557249007.db2.gz	HZZDGHGPDKORAN-PEBXRYMYSA-N	0	0	437.586	6.093	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=Nc3ncnn3[C@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000018197984	557249981	/nfs/dbraw/zinc/24/99/81/557249981.db2.gz	URQJYBWTKMYXPV-MZNJEOGPSA-N	0	0	440.528	5.548	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccncc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018199733	557251164	/nfs/dbraw/zinc/25/11/64/557251164.db2.gz	BSZSZVHMRDROBO-MHECFPHRSA-N	0	0	438.556	5.595	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)OC)sc1=NN=Cc1ccc(C(C)C)cc1	ZINC000027018440	557254518	/nfs/dbraw/zinc/25/45/18/557254518.db2.gz	VFOVSNCOPHVUTF-ATCIDIOVSA-N	0	0	434.565	5.639	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000027019103	557254635	/nfs/dbraw/zinc/25/46/35/557254635.db2.gz	MLVZRIFGYOXTAR-LYBHJNIJSA-N	0	0	439.555	7.338	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@@H]1c1c[nH]c2ccccc21	ZINC000018285124	557255859	/nfs/dbraw/zinc/25/58/59/557255859.db2.gz	XTDJTDQSFSJBQM-MHZLTWQESA-N	0	0	441.575	6.357	50	30		IKEARN
CCCCCCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000100284436	557256515	/nfs/dbraw/zinc/25/65/15/557256515.db2.gz	QRRYWNQSMJSSHK-UHFFFAOYSA-N	0	0	444.571	7.133	50	30		IKEARN
Cc1cc(/N=C/c2cc(Br)ccc2O)ccc1NC(=O)c1cc2ccccc2o1	ZINC000100299239	557257114	/nfs/dbraw/zinc/25/71/14/557257114.db2.gz	WQOBNVGZJDEOQA-DHRITJCHSA-N	0	0	449.304	6.212	50	30		IKEARN
CCCCCCCCSC1=C(SCCCCCCCC)C(=O)c2ccccc2C1=O	ZINC000100314024	557257473	/nfs/dbraw/zinc/25/74/73/557257473.db2.gz	NHKODPLUMGYRPO-UHFFFAOYSA-N	0	0	446.722	8.465	50	30		IKEARN
C/C=C/CS/C(=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1)Sc1ccc(Cl)cc1	ZINC000101163603	557257760	/nfs/dbraw/zinc/25/77/60/557257760.db2.gz	UYJRVIXDNKROQI-JCAHRCEDSA-N	0	0	442.971	5.395	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c(OC)c1	ZINC000027229324	557258848	/nfs/dbraw/zinc/25/88/48/557258848.db2.gz	QEQRJXQJVVELOU-FRKPEAEDSA-N	0	0	442.846	5.268	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Br	ZINC000100416829	557260165	/nfs/dbraw/zinc/26/01/65/557260165.db2.gz	BBECWGAEABMBCV-IBGZPJMESA-N	0	0	434.333	5.387	50	30		IKEARN
O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(Nc2cccc([N+](=O)[O-])c2)=C1Cl	ZINC000100435897	557261431	/nfs/dbraw/zinc/26/14/31/557261431.db2.gz	ROGGGZHKCKKMMT-UHFFFAOYSA-N	0	0	438.481	6.424	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)c3C)nc2c1	ZINC000100502250	557262628	/nfs/dbraw/zinc/26/26/28/557262628.db2.gz	UWTOZTJZJWDZBR-MZJWZYIUSA-N	0	0	437.455	6.629	50	30		IKEARN
CCOc1ccccc1NC(=O)c1c(/N=C/c2sccc2C)sc2c1CCCCC2	ZINC000101185166	557262727	/nfs/dbraw/zinc/26/27/27/557262727.db2.gz	BRUXYNJBJZBKEK-MFKUBSTISA-N	0	0	438.618	6.789	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1	ZINC000101226868	557263788	/nfs/dbraw/zinc/26/37/88/557263788.db2.gz	WMOZZLXNNLEPKD-OCLJWFPGSA-N	0	0	434.348	5.140	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccccc1F	ZINC000100557869	557264563	/nfs/dbraw/zinc/26/45/63/557264563.db2.gz	MWMIJAWLJKOUTF-AVRWGWEMSA-N	0	0	449.522	5.149	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000100556524	557264612	/nfs/dbraw/zinc/26/46/12/557264612.db2.gz	XEXSXBVLADCZJZ-FQRUVTKNSA-N	0	0	443.543	5.240	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000027547078	557265220	/nfs/dbraw/zinc/26/52/20/557265220.db2.gz	XUQUTXAGLBYFDG-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(NC(=O)c4ccccc4)cnn3[C@H]2c2ccc(Cl)cc2)C1	ZINC000027562067	557265390	/nfs/dbraw/zinc/26/53/90/557265390.db2.gz	LEPOKOHCWPBDRU-QFIPXVFZSA-N	0	0	446.938	5.447	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccc(Br)cc1	ZINC000101284415	557267390	/nfs/dbraw/zinc/26/73/90/557267390.db2.gz	HYFINDSUFXJXER-LJQANCHMSA-N	0	0	447.377	5.233	50	30		IKEARN
C=CC[C@]1(C#N)C(=S)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000100685928	557269347	/nfs/dbraw/zinc/26/93/47/557269347.db2.gz	GTMJEAVXRNJUAA-GHTZIAJQSA-N	0	0	429.383	5.193	50	30		IKEARN
CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc(Cl)cc1	ZINC000008386410	557269699	/nfs/dbraw/zinc/26/96/99/557269699.db2.gz	FWOUWKBCWFJYME-OKCVXOCRSA-N	0	0	429.915	5.848	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1	ZINC000100960862	557280032	/nfs/dbraw/zinc/28/00/32/557280032.db2.gz	JLGIREMWIKPHSD-NRFANRHFSA-N	0	0	442.584	5.625	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C(C(=S)Nc3ccccc3)=C(NCc3ccccc3)C2)cc1	ZINC000100960859	557280076	/nfs/dbraw/zinc/28/00/76/557280076.db2.gz	JLGIREMWIKPHSD-OAQYLSRUSA-N	0	0	442.584	5.625	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000101069147	557282296	/nfs/dbraw/zinc/28/22/96/557282296.db2.gz	ADGQZNVEYUIKPL-UHFFFAOYSA-N	0	0	447.369	5.935	50	30		IKEARN
CCCCCCCCCOc1ccc(C(C)=NNc2ccnc3cc(Cl)ccc32)cc1	ZINC000101428969	557283679	/nfs/dbraw/zinc/28/36/79/557283679.db2.gz	PQMDNMWVYXZVIC-ZTKZIYFRSA-N	0	0	438.015	7.854	50	30		IKEARN
CCCCCCCc1nc(C#N)c(N=NCc2ccc(OCc3ccccc3)c(OC)c2)o1	ZINC000101411364	557284347	/nfs/dbraw/zinc/28/43/47/557284347.db2.gz	GZMCJAKJSKURQJ-MTDXEUNCSA-N	0	0	446.551	6.093	50	30		IKEARN
C=CCn1c(SCc2nc(-c3ccc(CC)cc3)no2)nnc1-c1ccccc1OC	ZINC000014069045	557297284	/nfs/dbraw/zinc/29/72/84/557297284.db2.gz	QSLUOPKVUWVMEP-UHFFFAOYSA-N	0	0	433.537	5.044	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12	ZINC000102112725	557299369	/nfs/dbraw/zinc/29/93/69/557299369.db2.gz	XREVEVJIGHQCDH-RWPZCVJISA-N	0	0	443.547	7.363	50	30		IKEARN
C=CCn1c(-c2ccc(-c3ccccc3)cc2)csc1=NNC(=O)Nc1ccccc1	ZINC000102302909	557300763	/nfs/dbraw/zinc/30/07/63/557300763.db2.gz	FRDLAGRDCPPIOK-AZPGRJICSA-N	0	0	426.545	5.721	50	30		IKEARN
C[C@H]1CC/C(=C\c2c(Cl)cccc2Cl)C(=O)/C1=C/c1c(Cl)cccc1Cl	ZINC000102265849	557300869	/nfs/dbraw/zinc/30/08/69/557300869.db2.gz	OMNFGJKJTUMWAP-NLCLAEEJSA-N	0	0	426.170	7.766	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1Cl	ZINC000002865525	557302846	/nfs/dbraw/zinc/30/28/46/557302846.db2.gz	XTKROYNLQYLBHO-MRXNPFEDSA-N	0	0	441.000	6.029	50	30		IKEARN
O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl	ZINC000101956254	557308854	/nfs/dbraw/zinc/30/88/54/557308854.db2.gz	CHZLDNRUXDPLCO-ARJAWSKDSA-N	0	0	428.159	6.840	50	30		IKEARN
CC(C)c1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000101972816	557309386	/nfs/dbraw/zinc/30/93/86/557309386.db2.gz	BOWWLZSRFBIMJB-JOCHJYFZSA-N	0	0	427.548	5.490	50	30		IKEARN
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)c(C)c3)c2c1=O	ZINC000002831010	557312773	/nfs/dbraw/zinc/31/27/73/557312773.db2.gz	CLEZXPHKEFBHHQ-UHFFFAOYSA-N	0	0	439.631	5.985	50	30		IKEARN
CCCCCCCOc1nc2ccccc2nc1[C@@H](C#N)S(=O)(=O)c1ccc(C)cc1	ZINC000102136845	557313299	/nfs/dbraw/zinc/31/32/99/557313299.db2.gz	JRWHJVBJPMAUGZ-JOCHJYFZSA-N	0	0	437.565	5.326	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1	ZINC000002861753	557313459	/nfs/dbraw/zinc/31/34/59/557313459.db2.gz	RJPBTZFJAQJMLE-INIZCTEOSA-N	0	0	426.973	5.209	50	30		IKEARN
CCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000103538481	557315933	/nfs/dbraw/zinc/31/59/33/557315933.db2.gz	IMLHOIBHVRYUCZ-UHFFFAOYSA-N	0	0	434.236	6.322	50	30		IKEARN
Cc1ccc(N=NC(N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1	ZINC000103755703	557318257	/nfs/dbraw/zinc/31/82/57/557318257.db2.gz	MKOYMYUJFTUVRX-NOKXCCNCSA-N	0	0	434.547	7.284	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102401953	557321012	/nfs/dbraw/zinc/32/10/12/557321012.db2.gz	CAGWHKOMOXFQJN-LFVOPCPISA-N	0	0	438.574	5.571	50	30		IKEARN
C=C(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nc2sc3c(c2c1=O)CCC3	ZINC000002848156	557324677	/nfs/dbraw/zinc/32/46/77/557324677.db2.gz	QNXPZKRTZPIGRX-UHFFFAOYSA-N	0	0	437.011	5.213	50	30		IKEARN
CCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000000832175	557327894	/nfs/dbraw/zinc/32/78/94/557327894.db2.gz	UGYIHEJMGSWRPB-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102484826	557331070	/nfs/dbraw/zinc/33/10/70/557331070.db2.gz	YNCMWBGODJXPGF-MOBKVPTQSA-N	0	0	448.906	5.150	50	30		IKEARN
Cc1ccc(C)n1-c1ccc(C(=O)C=CNc2ccc(I)cc2)cc1	ZINC000100133878	557331748	/nfs/dbraw/zinc/33/17/48/557331748.db2.gz	UDKKWGSHBMNHJN-BUHFOSPRSA-N	0	0	442.300	5.507	50	30		IKEARN
CCCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@H](c2ccccc2)CC1=O	ZINC000100138545	557332830	/nfs/dbraw/zinc/33/28/30/557332830.db2.gz	WIHOITWLAPDKRG-QFIPXVFZSA-N	0	0	442.603	6.077	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccc(Br)cc2)cc1	ZINC000100139965	557332990	/nfs/dbraw/zinc/33/29/90/557332990.db2.gz	CPVPUQOQDUTXIY-HYARGMPZSA-N	0	0	429.339	5.309	50	30		IKEARN
CCCC(NCCc1c(C)[nH]c2ccc(OCc3ccccc3)cc21)=C1C(=O)CCCC1=O	ZINC000100140276	557333950	/nfs/dbraw/zinc/33/39/50/557333950.db2.gz	AGHXEBKCNYAXGW-UHFFFAOYSA-N	0	0	444.575	5.564	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)SC(=C2c3cc(C)cc(C)c3NC(C)(C)C2=S)S1	ZINC000033349868	557334050	/nfs/dbraw/zinc/33/40/50/557334050.db2.gz	KVPVOSZTHPIWLM-NKFKGCMQSA-N	0	0	437.655	6.984	50	30		IKEARN
Cc1ccc2c(c1)/C(=N\c1ccc(Cl)cc1)C(=O)N2Cc1c(Cl)cccc1Cl	ZINC000100144038	557334222	/nfs/dbraw/zinc/33/42/22/557334222.db2.gz	LMCYOHSWEIALPE-YYADALCUSA-N	0	0	429.734	6.623	50	30		IKEARN
N#Cc1ccc(-c2csc(-c3cccc(-c4nc(-c5ccc(C#N)cc5)cs4)c3)n2)cc1	ZINC000084847086	557334922	/nfs/dbraw/zinc/33/49/22/557334922.db2.gz	VXTSQYMTQLWWHN-UHFFFAOYSA-N	0	0	446.560	7.011	50	30		IKEARN
CCCCCCCCN1C(=O)C(=CNc2cc(Cl)ccc2O)C(=O)N(CCCC)C1=O	ZINC000100167850	557339972	/nfs/dbraw/zinc/33/99/72/557339972.db2.gz	NXBCRAFZZWCCCI-VLGSPTGOSA-N	0	0	449.979	5.293	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000102533894	557344254	/nfs/dbraw/zinc/34/42/54/557344254.db2.gz	RGPZFPVPVVZFBS-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
N#CCc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1	ZINC000023332327	557344555	/nfs/dbraw/zinc/34/45/55/557344555.db2.gz	UPSHCNCZQNNDHQ-RUZDIDTESA-N	0	0	444.966	5.345	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102509229	557349277	/nfs/dbraw/zinc/34/92/77/557349277.db2.gz	CULBWZKLZZUWJE-HOGKFDNTSA-N	0	0	440.524	5.539	50	30		IKEARN
CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O	ZINC000023382694	557352195	/nfs/dbraw/zinc/35/21/95/557352195.db2.gz	IJFTXIIWAWJZNS-GIJQJNRQSA-N	0	0	447.343	5.889	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102520849	557352605	/nfs/dbraw/zinc/35/26/05/557352605.db2.gz	IGKKIKNXSKMWIB-MOBKVPTQSA-N	0	0	446.572	5.818	50	30		IKEARN
Cc1nc2sc3c(c2c(S[C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1)CCC3	ZINC000023406856	557352756	/nfs/dbraw/zinc/35/27/56/557352756.db2.gz	GHEGYPGDGBTVON-CYBMUJFWSA-N	0	0	440.569	5.055	50	30		IKEARN
Cc1nc2sc3c(c2c(S[C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)n1)CCC3	ZINC000023406857	557352856	/nfs/dbraw/zinc/35/28/56/557352856.db2.gz	GHEGYPGDGBTVON-ZDUSSCGKSA-N	0	0	440.569	5.055	50	30		IKEARN
O=C(/C=C\c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cccc(C(F)(F)F)c1	ZINC000033725617	557353884	/nfs/dbraw/zinc/35/38/84/557353884.db2.gz	MWWMRRUDDGMJNC-ALCCZGGFSA-N	0	0	431.395	5.451	50	30		IKEARN
CCCCCCCCCNC(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C	ZINC000102579733	557355350	/nfs/dbraw/zinc/35/53/50/557355350.db2.gz	LHGFNDROADQXDN-UHFFFAOYSA-N	0	0	431.537	5.315	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000102580587	557355377	/nfs/dbraw/zinc/35/53/77/557355377.db2.gz	BIGUSMGZIZKJAE-AYWGPLOBSA-N	0	0	431.919	6.090	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000102582594	557355389	/nfs/dbraw/zinc/35/53/89/557355389.db2.gz	DRKMWZBPSIYESD-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1	ZINC000102589444	557356604	/nfs/dbraw/zinc/35/66/04/557356604.db2.gz	JAXAOKXPROZBAT-HOGKFDNTSA-N	0	0	433.891	5.283	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102603006	557358207	/nfs/dbraw/zinc/35/82/07/557358207.db2.gz	JGIXGZPRIAAVOA-HOGKFDNTSA-N	0	0	432.907	5.032	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1ccccc1	ZINC000023458996	557359757	/nfs/dbraw/zinc/35/97/57/557359757.db2.gz	BQCJKENXRAQCKO-UHFFFAOYSA-N	0	0	427.529	5.425	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)NCc3ccncc3)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023460735	557360649	/nfs/dbraw/zinc/36/06/49/557360649.db2.gz	MIXCDOSODRYHLJ-UHFFFAOYSA-N	0	0	448.570	5.471	50	30		IKEARN
N#Cc1cccc(C(=O)Nc2ccc(-c3cccc(-c4ccc5c(c4)OCCO5)n3)cc2)c1	ZINC000023460738	557360736	/nfs/dbraw/zinc/36/07/36/557360736.db2.gz	CBIKYCIJGUKIDC-UHFFFAOYSA-N	0	0	433.467	5.311	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000102656300	557361605	/nfs/dbraw/zinc/36/16/05/557361605.db2.gz	NDTUHKKTTBVOMI-LMTJQJACSA-N	0	0	444.556	5.377	50	30		IKEARN
N#Cc1cccc(C(=O)N2CCC(n3nc(-c4ccccc4)cc3-c3ccccc3)CC2)c1	ZINC000023458031	557363306	/nfs/dbraw/zinc/36/33/06/557363306.db2.gz	KYTNHLFQDVXIDY-UHFFFAOYSA-N	0	0	432.527	5.566	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102709964	557367588	/nfs/dbraw/zinc/36/75/88/557367588.db2.gz	CIASECJJAFKZNO-MRJHHRETSA-N	0	0	436.895	5.386	50	30		IKEARN
CC(C)c1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3cccc(O)c3)CC(=O)O4)C2=O)cc1	ZINC000524729417	557368814	/nfs/dbraw/zinc/36/88/14/557368814.db2.gz	SRRCNBDSXVCQOE-IVZMSFFOSA-N	0	0	426.468	5.573	50	30	biogenic	IKEARN
CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(CC)cc3)S2)cc1	ZINC000011690582	557369775	/nfs/dbraw/zinc/36/97/75/557369775.db2.gz	HOBDPAANGFGAPM-ZCBHOAFYSA-N	0	0	437.609	5.372	50	30		IKEARN
N#Cc1c(NC(=O)CN2CCCc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1	ZINC000220962133	557372029	/nfs/dbraw/zinc/37/20/29/557372029.db2.gz	DVDPXIWEVUEPTE-UHFFFAOYSA-N	0	0	433.511	5.877	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1OC	ZINC000100224992	557372157	/nfs/dbraw/zinc/37/21/57/557372157.db2.gz	UJPJRKNWBKBOKH-PFMNSIPKSA-N	0	0	436.577	6.031	50	30		IKEARN
O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl	ZINC000033854394	557372844	/nfs/dbraw/zinc/37/28/44/557372844.db2.gz	GUSXMQOYSGXSHA-OQYWKCLKSA-N	0	0	432.234	6.729	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1	ZINC000102735447	557372863	/nfs/dbraw/zinc/37/28/63/557372863.db2.gz	ODMCDKCDPHGAPK-YDJIHCHBSA-N	0	0	430.485	5.078	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21	ZINC000221028998	557375653	/nfs/dbraw/zinc/37/56/53/557375653.db2.gz	IHJRFJPQJFYAPL-FGLVJAMNSA-N	0	0	443.930	5.303	50	30		IKEARN
CCCCCCCCCCCn1c(COc2ccc3ccccc3c2)nc2ccccc21	ZINC000100231707	557376392	/nfs/dbraw/zinc/37/63/92/557376392.db2.gz	YIVZYNHUIGSVON-UHFFFAOYSA-N	0	0	428.620	8.299	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3cccs3)sc2c1	ZINC000102804449	557386388	/nfs/dbraw/zinc/38/63/88/557386388.db2.gz	AJLACHGHSQMVBT-NHFXJNLRSA-N	0	0	446.553	5.547	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)(C)C)cc2)s1	ZINC000102804633	557386397	/nfs/dbraw/zinc/38/63/97/557386397.db2.gz	BIBJWBBIWYIXEY-YDJIHCHBSA-N	0	0	447.560	5.079	50	30		IKEARN
Cc1nc(N2C(=O)C(=O)C(=C([O-])c3ccc(F)cc3)[C@@H]2c2cccc(Cl)c2)sc1C	ZINC000102799351	557389395	/nfs/dbraw/zinc/38/93/95/557389395.db2.gz	OGZVJXQLZSJEIL-GHNGSUTGSA-N	0	0	442.899	5.179	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000102799929	557390220	/nfs/dbraw/zinc/39/02/20/557390220.db2.gz	DAAUOTKSHYACPX-NHFXJNLRSA-N	0	0	442.353	5.451	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1	ZINC000102857977	557399110	/nfs/dbraw/zinc/39/91/10/557399110.db2.gz	XADIILSENQXNOH-AYWGPLOBSA-N	0	0	431.919	5.313	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102860205	557399740	/nfs/dbraw/zinc/39/97/40/557399740.db2.gz	LSMHGTKATUANNY-AYWGPLOBSA-N	0	0	429.516	5.507	50	30		IKEARN
COc1ccc(NN=C2c3ccccc3N(Cc3cccc(C(F)(F)F)c3)C2=O)cc1	ZINC000100327133	557399862	/nfs/dbraw/zinc/39/98/62/557399862.db2.gz	ZIOBLCYCCFOOAP-SGWCAAJKSA-N	0	0	425.410	5.077	50	30		IKEARN
O=C1/C(=N/c2ccc(C(F)(F)F)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl	ZINC000100406247	557401907	/nfs/dbraw/zinc/40/19/07/557401907.db2.gz	LKLFBKJCUBRIMA-VFCFBJKWSA-N	0	0	449.259	6.680	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000102861246	557401972	/nfs/dbraw/zinc/40/19/72/557401972.db2.gz	KTVQIUIZLKMUFG-NHFXJNLRSA-N	0	0	439.298	5.010	50	30		IKEARN
N#Cc1c(C=CNc2ccc(Cl)cc2)snc1SCc1c(F)cccc1Cl	ZINC000100418407	557402106	/nfs/dbraw/zinc/40/21/06/557402106.db2.gz	GGWPWQVFBAQLNS-CMDGGOBGSA-N	0	0	436.364	6.836	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000118915791	557405851	/nfs/dbraw/zinc/40/58/51/557405851.db2.gz	IKAYYSYGCHKPAB-BQXLQTKJSA-N	0	0	443.716	6.987	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@H]2c2ccccc2)o1	ZINC000102882425	557408459	/nfs/dbraw/zinc/40/84/59/557408459.db2.gz	JXSVYLLCVNFEBG-PGVNHDJNSA-N	0	0	444.512	5.441	50	30		IKEARN
O=C(C=CNc1cccc([N+](=O)[O-])c1)c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000100482269	557409032	/nfs/dbraw/zinc/40/90/32/557409032.db2.gz	NTPXWDZNAVKBOK-MDZDMXLPSA-N	0	0	443.286	6.289	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000102927416	557410519	/nfs/dbraw/zinc/41/05/19/557410519.db2.gz	BDMQWHROPODKCK-LFVOPCPISA-N	0	0	436.508	5.206	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)c1c(O)cc(-c3ccccc3)cc1N2	ZINC000102931311	557412788	/nfs/dbraw/zinc/41/27/88/557412788.db2.gz	DAZPGYPCGSSAIF-HHHXNRCGSA-N	0	0	447.513	6.188	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102931307	557412796	/nfs/dbraw/zinc/41/27/96/557412796.db2.gz	DDOKQZLYLWWRCT-AYWGPLOBSA-N	0	0	445.515	5.208	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2NC(=O)N(CCC)C(C)=C2C(=O)OC)c1	ZINC000102996717	557414755	/nfs/dbraw/zinc/41/47/55/557414755.db2.gz	GOUUSDDDVPVJFL-HSZRJFAPSA-N	0	0	443.588	5.299	50	30		IKEARN
CCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2cccc(Cl)c2)s1	ZINC000102996004	557414902	/nfs/dbraw/zinc/41/49/02/557414902.db2.gz	QOIDQVPCPJEQQT-SFHVURJKSA-N	0	0	449.020	5.539	50	30		IKEARN
CCCCCCCCCC(=O)N(CC(=O)N(Cc1ccco1)Cc1ccccc1)C(C)C	ZINC000102997394	557415092	/nfs/dbraw/zinc/41/50/92/557415092.db2.gz	BVMCHSZXVSSAQT-UHFFFAOYSA-N	0	0	440.628	6.186	50	30		IKEARN
CCCCCCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)CC)c1)C(C)C	ZINC000102999494	557415118	/nfs/dbraw/zinc/41/51/18/557415118.db2.gz	HUJRPKVBOCKMMM-UHFFFAOYSA-N	0	0	439.662	6.073	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1ccon1)C[C@H]1CCCO1	ZINC000103000668	557415144	/nfs/dbraw/zinc/41/51/44/557415144.db2.gz	CLZPIKHJUYLPIC-OAQYLSRUSA-N	0	0	435.609	5.322	50	30		IKEARN
CCCCCCCCC[NH+]=Cc1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000102997150	557415154	/nfs/dbraw/zinc/41/51/54/557415154.db2.gz	DHPCQWBBJFVLAM-AFUMVMLFSA-N	0	0	438.519	6.376	50	30		IKEARN
CCN(CC)c1ccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)cc1	ZINC000103449383	557437413	/nfs/dbraw/zinc/43/74/13/557437413.db2.gz	WCSJCMGVQHMFOF-VYIQYICTSA-N	0	0	437.503	5.130	50	30		IKEARN
Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3ccc(F)cc3)c3ccccc3C2=O)cc1	ZINC000103746824	557441167	/nfs/dbraw/zinc/44/11/67/557441167.db2.gz	FMGGJQSMQIOMEV-DAFNUICNSA-N	0	0	437.517	5.185	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000104182674	557452450	/nfs/dbraw/zinc/45/24/50/557452450.db2.gz	BCDPESCVCNJTCL-LFVOPCPISA-N	0	0	438.936	5.546	50	30		IKEARN
CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21	ZINC000104396194	557454929	/nfs/dbraw/zinc/45/49/29/557454929.db2.gz	WHLBCNRCXJZXMF-MLBCHFTJSA-N	0	0	428.610	5.320	50	30		IKEARN
CC1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1	ZINC000015980350	557468454	/nfs/dbraw/zinc/46/84/54/557468454.db2.gz	XTGHSTCJEVFVMM-MBKDJOQRSA-N	0	0	426.170	7.766	50	30		IKEARN
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3cn4ccccc4c3C#N)c2n1	ZINC000014852658	557492771	/nfs/dbraw/zinc/49/27/71/557492771.db2.gz	NBSQMZXNNACZCV-UHFFFAOYSA-N	0	0	440.286	5.097	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@H]21	ZINC000105389122	557497263	/nfs/dbraw/zinc/49/72/63/557497263.db2.gz	SDYMIDMUFXWPCF-CEHQPMRJSA-N	0	0	438.514	6.415	50	30		IKEARN
O=C(/C=C/c1ccccc1Cl)Oc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1	ZINC000002702111	557521798	/nfs/dbraw/zinc/52/17/98/557521798.db2.gz	OKXYBIBYQZZFSH-MEGHBNGPSA-N	0	0	429.825	6.728	50	30	biogenic,in-vitro	IKEARN
Oc1ccc(Br)cc1/C=N/c1ccc2oc(-c3ccc4ccccc4c3)nc2c1	ZINC000003169720	557531710	/nfs/dbraw/zinc/53/17/10/557531710.db2.gz	GATGLMYNXCFYRI-VULFUBBASA-N	0	0	443.300	6.867	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)c1	ZINC000044858677	557537654	/nfs/dbraw/zinc/53/76/54/557537654.db2.gz	GYQYCXPGEUMNCU-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccc(C)cc2)cc1	ZINC000044858801	557537970	/nfs/dbraw/zinc/53/79/70/557537970.db2.gz	UQXLGNYKULKNHM-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2C)c1	ZINC000044858749	557538077	/nfs/dbraw/zinc/53/80/77/557538077.db2.gz	CTQHTDAGXNQTDA-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)cc1	ZINC000044859084	557538271	/nfs/dbraw/zinc/53/82/71/557538271.db2.gz	ZLLGNARPMMGWAF-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1	ZINC000044859196	557538475	/nfs/dbraw/zinc/53/84/75/557538475.db2.gz	OPQQCNGWMJBAPQ-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2C)cc1	ZINC000044859379	557538479	/nfs/dbraw/zinc/53/84/79/557538479.db2.gz	FIZDVYYNKNRNCE-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000108519643	557543068	/nfs/dbraw/zinc/54/30/68/557543068.db2.gz	OXCIYJZVMDHYKH-WXFUMESZSA-N	0	0	436.902	5.019	50	30		IKEARN
CC(C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1	ZINC000045939487	557548375	/nfs/dbraw/zinc/54/83/75/557548375.db2.gz	CNZSFMNVXBDDJZ-UHFFFAOYSA-N	0	0	428.580	5.901	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2ccncc2)cc1	ZINC000045940373	557548795	/nfs/dbraw/zinc/54/87/95/557548795.db2.gz	ZWKLITMFTURPIY-FQEVSTJZSA-N	0	0	442.607	6.291	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2cccc(C(C)C)c2)cc1	ZINC000045940341	557548801	/nfs/dbraw/zinc/54/88/01/557548801.db2.gz	GDJWNHDFFADOST-UHFFFAOYSA-N	0	0	444.579	5.782	50	30		IKEARN
CC[C@@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1	ZINC000045940375	557548805	/nfs/dbraw/zinc/54/88/05/557548805.db2.gz	NZUGZJNIBOSLPW-GOSISDBHSA-N	0	0	446.551	5.010	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C(C)C)cc2)cc1	ZINC000045940651	557549007	/nfs/dbraw/zinc/54/90/07/557549007.db2.gz	JXQVZOGDMCAZCR-UHFFFAOYSA-N	0	0	444.579	5.782	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3ccccc3Cl)o1)Nc1ccccc1-2	ZINC000002978115	557661227	/nfs/dbraw/zinc/66/12/27/557661227.db2.gz	HEQHHRVJMDBPHM-NRFANRHFSA-N	0	0	448.935	6.233	50	30		IKEARN
C=CCc1ccc(OCCOCCOc2c(C)cc(C)cc2Br)c(OC)c1	ZINC000002987089	557670610	/nfs/dbraw/zinc/67/06/10/557670610.db2.gz	VKHCMQFVEWHAKP-UHFFFAOYSA-N	0	0	435.358	5.277	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1nccs1	ZINC000000851169	557830357	/nfs/dbraw/zinc/83/03/57/557830357.db2.gz	KFVWMQOKINLLDX-UHFFFAOYSA-N	0	0	428.542	5.475	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc2c(c1)OCO2	ZINC000000854103	557831033	/nfs/dbraw/zinc/83/10/33/557831033.db2.gz	BYIRBTICBVTIIR-XMMPIXPASA-N	0	0	432.520	5.214	50	30	biogenic	IKEARN
Cc1cc2c(cc1C)N[C@H](c1cc3c(cc1[N+](=O)[O-])OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000000861223	557832531	/nfs/dbraw/zinc/83/25/31/557832531.db2.gz	NBBKZSFRFJSGCZ-HSZRJFAPSA-N	0	0	435.480	5.162	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=CC=C1N(c2ccccc2)c2ccccc2N1c1ccccc1	ZINC000685944678	557839283	/nfs/dbraw/zinc/83/92/83/557839283.db2.gz	RWMRLOSVMAYMHG-UHFFFAOYSA-N	0	0	440.502	6.823	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)N3CCCCC3)c2C#N)cc1	ZINC000000888145	557851597	/nfs/dbraw/zinc/85/15/97/557851597.db2.gz	QXLLARCPQOCPND-UHFFFAOYSA-N	0	0	443.572	5.400	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1	ZINC000000888425	557851646	/nfs/dbraw/zinc/85/16/46/557851646.db2.gz	DWCKHBZQQRHTPL-HNNXBMFYSA-N	0	0	438.622	5.385	50	30		IKEARN
Cc1cc2c(c(Br)c1)NC(=O)C2=C1SC(=Nc2ccccc2Cl)NC1=O	ZINC000015015836	557856148	/nfs/dbraw/zinc/85/61/48/557856148.db2.gz	FFNCBCYMYCOOCG-FYWRMAATSA-N	0	0	448.729	5.274	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12	ZINC000003978649	560192807	/nfs/dbraw/zinc/19/28/07/560192807.db2.gz	FVWJYYTZTCVBKE-VUFVRDRTSA-N	0	0	442.728	6.997	50	30	biogenic,in-vitro	IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000000702610	562918985	/nfs/dbraw/zinc/91/89/85/562918985.db2.gz	MVCVIBZAIIIDLV-HXUWFJFHSA-N	0	0	433.533	5.061	50	30		IKEARN
COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1	ZINC000000984349	562919895	/nfs/dbraw/zinc/91/98/95/562919895.db2.gz	KYNOUCMSUPMWLO-DNQXCXABSA-N	0	0	427.504	5.128	50	30		IKEARN
CCCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(C)cc32)C[C@H](c2ccccc2)CC1=O	ZINC000001076679	562920319	/nfs/dbraw/zinc/92/03/19/562920319.db2.gz	SYRXVJCQXNAJMR-NRFANRHFSA-N	0	0	428.576	5.687	50	30		IKEARN
N#Cc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1	ZINC000001383338	562921509	/nfs/dbraw/zinc/92/15/09/562921509.db2.gz	INLCGMDMTPYGSQ-UHFFFAOYSA-N	0	0	429.448	6.168	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)cc3)sc2C1	ZINC000002082041	562925783	/nfs/dbraw/zinc/92/57/83/562925783.db2.gz	GINRSMLGSRKRLT-CQSZACIVSA-N	0	0	431.399	6.176	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002209695	562926328	/nfs/dbraw/zinc/92/63/28/562926328.db2.gz	MQXYOFAVRXYSMF-UHFFFAOYSA-N	0	0	442.628	6.189	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@](C)(CC)OC3	ZINC000002208310	562926385	/nfs/dbraw/zinc/92/63/85/562926385.db2.gz	FAJNVYNERQZVOQ-HSZRJFAPSA-N	0	0	426.607	5.416	50	30		IKEARN
N#Cc1c(NC(=O)CSc2ncnc3sccc32)oc(-c2ccco2)c1-c1ccco1	ZINC000003305958	562934005	/nfs/dbraw/zinc/93/40/05/562934005.db2.gz	ORWHTYLDPAUTTC-UHFFFAOYSA-N	0	0	448.485	5.407	50	30	aggregator	IKEARN
CCN(CC)c1ccc(/C=C2\CN(C)C/C(=C\c3ccc(N(CC)CC)cc3)C2=O)cc1	ZINC000005446255	562943946	/nfs/dbraw/zinc/94/39/46/562943946.db2.gz	CSZGWTIIEDCAOM-SIHVKLMXSA-N	0	0	431.624	5.361	50	30		IKEARN
COc1cccc(C(=O)N[C@@H](C=Cc2ccccc2)c2cc(Cl)c3cccnc3c2O)c1	ZINC000006427099	562946724	/nfs/dbraw/zinc/94/67/24/562946724.db2.gz	MIDIVLDQHNVZLB-OTOIZHKDSA-N	0	0	444.918	6.362	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1	ZINC000008036049	562949079	/nfs/dbraw/zinc/94/90/79/562949079.db2.gz	ICDMLAQPOAVWNH-HAAQQRBASA-N	0	0	431.661	6.449	50	30	in-vitro	IKEARN
Cc1cccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2C#N)c1	ZINC000008590641	562951777	/nfs/dbraw/zinc/95/17/77/562951777.db2.gz	VWEHKNIDNCDZOI-UHFFFAOYSA-N	0	0	435.552	6.327	50	30		IKEARN
CCNc1c2ccccc2oc(=O)c1/N=C(\O)c1cc(OCC)c(OCC)c(OCC)c1	ZINC000008594556	562953046	/nfs/dbraw/zinc/95/30/46/562953046.db2.gz	PFLIWBDMIAGMRO-UHFFFAOYSA-N	0	0	440.496	5.057	50	30		IKEARN
CC[C@H]1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1	ZINC000008687697	562963059	/nfs/dbraw/zinc/96/30/59/562963059.db2.gz	QFFSNQJKVMTZBJ-KRWRZEAGSA-N	0	0	428.557	6.478	50	30	aggregator	IKEARN
O=C(Nc1ccc(F)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1	ZINC000008693946	562963635	/nfs/dbraw/zinc/96/36/35/562963635.db2.gz	FHLVPAUKSIYTGV-UHFFFAOYSA-N	0	0	426.288	5.352	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O	ZINC000019720099	563022844	/nfs/dbraw/zinc/02/28/44/563022844.db2.gz	KCZZJOSFEXUPKS-LFVJCYFKSA-N	0	0	443.524	5.487	50	30		IKEARN
O=C1/C(=C/c2ccccc2Br)CCC/C1=C\c1ccccc1Br	ZINC000020115445	563023798	/nfs/dbraw/zinc/02/37/98/563023798.db2.gz	IYUMKWYJTLIPIV-UNZYHPAISA-N	0	0	432.155	6.432	50	30		IKEARN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc1	ZINC000108450312	568625567	/nfs/dbraw/zinc/62/55/67/568625567.db2.gz	PUGACACYWXKMSL-JOCHJYFZSA-N	0	0	434.532	6.282	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(C)cc1	ZINC000000938156	568639213	/nfs/dbraw/zinc/63/92/13/568639213.db2.gz	KIORACULFFHNFA-UHFFFAOYSA-N	0	0	432.471	5.189	50	30		IKEARN
N#Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)c2cccc(C(F)(F)F)c2)cc1	ZINC000025142324	568639985	/nfs/dbraw/zinc/63/99/85/568639985.db2.gz	WGAVJVFXPCOSDK-UHFFFAOYSA-N	0	0	432.405	5.682	50	30		IKEARN
C=CCN(C)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccc3ccccc3c2)cc1	ZINC000025142883	568640171	/nfs/dbraw/zinc/64/01/71/568640171.db2.gz	WBRCHYNDYCBPAB-UHFFFAOYSA-N	0	0	439.515	5.127	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(F)cc1	ZINC000025143032	568640442	/nfs/dbraw/zinc/64/04/42/568640442.db2.gz	GMFHCJFOVATUOI-UHFFFAOYSA-N	0	0	441.506	6.208	50	30		IKEARN
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1Br	ZINC000000947378	568643499	/nfs/dbraw/zinc/64/34/99/568643499.db2.gz	MAHBDAMBCSTTSA-ZCRIDZFUSA-N	0	0	431.355	5.168	50	30		IKEARN
COc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1Br	ZINC000000947380	568643601	/nfs/dbraw/zinc/64/36/01/568643601.db2.gz	MAHBDAMBCSTTSA-FZKGZDJFSA-N	0	0	431.355	5.168	50	30		IKEARN
O=C(/C=C\c1ccc(Br)cc1)c1ccc(NC(=O)CCc2ccccc2)cc1	ZINC000211030343	568644553	/nfs/dbraw/zinc/64/45/53/568644553.db2.gz	FDOYTZLMGCXOMF-PXNMLYILSA-N	0	0	434.333	5.917	50	30		IKEARN
CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2ccc(C)cc2cc1C#N	ZINC000000976267	568647231	/nfs/dbraw/zinc/64/72/31/568647231.db2.gz	RRKHXRMDMTYYCZ-UHFFFAOYSA-N	0	0	439.562	5.001	50	30		IKEARN
CCSC(=S)[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1	ZINC000000977081	568648355	/nfs/dbraw/zinc/64/83/55/568648355.db2.gz	KBXPELSZBPOEIC-RUZDIDTESA-N	0	0	441.581	5.485	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(Cl)cc1O	ZINC000001004412	568651035	/nfs/dbraw/zinc/65/10/35/568651035.db2.gz	CHTHNDWRFNFFMJ-UHFFFAOYSA-N	0	0	430.928	5.454	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1Cl	ZINC000001025853	568653088	/nfs/dbraw/zinc/65/30/88/568653088.db2.gz	MRAWDBYNPUTKHY-QFIPXVFZSA-N	0	0	447.874	5.160	50	30		IKEARN
N#Cc1c(SCC(=O)NCCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000001028746	568653426	/nfs/dbraw/zinc/65/34/26/568653426.db2.gz	UJQLLCMGMHCJAR-UHFFFAOYSA-N	0	0	447.507	5.152	50	30		IKEARN
CSc1sc(C#N)c(C)c1-c1ccn(S(=O)(=O)c2cc(Cl)ccc2Cl)n1	ZINC000001038032	568653681	/nfs/dbraw/zinc/65/36/81/568653681.db2.gz	OKPRSJKIFQPCLI-UHFFFAOYSA-N	0	0	444.390	5.057	50	30		IKEARN
Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1	ZINC000001054550	568653747	/nfs/dbraw/zinc/65/37/47/568653747.db2.gz	OIPJDCSZNVUBDF-AFUMVMLFSA-N	0	0	426.432	6.130	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000001057457	568654214	/nfs/dbraw/zinc/65/42/14/568654214.db2.gz	TZXVUJFCIMGZSW-CYXNTTPDSA-N	0	0	449.485	5.119	50	30		IKEARN
N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2cccs2)cc1C(F)(F)F	ZINC000001051413	568654694	/nfs/dbraw/zinc/65/46/94/568654694.db2.gz	ZKEBHFAYESJZHP-UHFFFAOYSA-N	0	0	434.464	5.536	50	30		IKEARN
Cc1cc(SCCOc2cccc(Br)c2)n2c3ccccc3nc2c1C#N	ZINC000025390086	568656083	/nfs/dbraw/zinc/65/60/83/568656083.db2.gz	YXXDXLRSZQBQBL-UHFFFAOYSA-N	0	0	438.350	5.601	50	30		IKEARN
COc1cc([C@@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000001069565	568656523	/nfs/dbraw/zinc/65/65/23/568656523.db2.gz	GQOFYBAAFMYZIF-XMMPIXPASA-N	0	0	428.488	5.042	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)n(Cc3ccc(F)cc3)c2-c2ccc(OC)cc2)cc1	ZINC000001075269	568656761	/nfs/dbraw/zinc/65/67/61/568656761.db2.gz	ZTRPNADGQKSKRV-UHFFFAOYSA-N	0	0	427.479	5.481	50	30		IKEARN
Cc1ccc(N2C(=O)C[C@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc1	ZINC000001079542	568656904	/nfs/dbraw/zinc/65/69/04/568656904.db2.gz	WDFVSFCLKSKLFR-GOSISDBHSA-N	0	0	428.359	6.466	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccsc1)CC(=O)N2c1ccc(Br)cc1Cl	ZINC000001079884	568656915	/nfs/dbraw/zinc/65/69/15/568656915.db2.gz	UIMLJUMZFLLHIF-CYBMUJFWSA-N	0	0	436.758	5.692	50	30		IKEARN
COc1ccc(OC)c([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)c1	ZINC000001080679	568657255	/nfs/dbraw/zinc/65/72/55/568657255.db2.gz	QNYKKNYGBJWNJR-DEOSSOPVSA-N	0	0	425.488	5.225	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC	ZINC000001080692	568657288	/nfs/dbraw/zinc/65/72/88/568657288.db2.gz	SQLADVRSVCXJAH-DEOSSOPVSA-N	0	0	425.488	5.225	50	30		IKEARN
CCOc1ccc(CC(Nc2ccccc2O)=C2C(=O)CC(C)(C)CC2=O)cc1OCC	ZINC000001080647	568657301	/nfs/dbraw/zinc/65/73/01/568657301.db2.gz	FRNZQINSSZUTOC-UHFFFAOYSA-N	0	0	437.536	5.057	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)sc2c1CCCC2	ZINC000001108456	568657880	/nfs/dbraw/zinc/65/78/80/568657880.db2.gz	YYFLJXOCXLAICC-UHFFFAOYSA-N	0	0	427.869	5.572	50	30		IKEARN
CCc1c2c(nc(SCC(=O)c3cc4c(ccc5ccccc54)oc3=O)c1C#N)CCC2	ZINC000001089452	568658318	/nfs/dbraw/zinc/65/83/18/568658318.db2.gz	HTMCNTGXYJYTCE-UHFFFAOYSA-N	0	0	440.524	5.239	50	30		IKEARN
CS[C@H]1CCCC[C@@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000001145231	568661077	/nfs/dbraw/zinc/66/10/77/568661077.db2.gz	JYUVZCUGGYUEOC-FUHWJXTLSA-N	0	0	444.569	5.829	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3cccc(C(F)(F)F)c3)c(OC)c2)n1	ZINC000034712487	568732665	/nfs/dbraw/zinc/73/26/65/568732665.db2.gz	JCNAQYILLZPUKT-UHFFFAOYSA-N	0	0	448.466	5.332	50	30		IKEARN
Cc1c(Cl)cccc1NC(=O)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1	ZINC000082113531	568735989	/nfs/dbraw/zinc/73/59/89/568735989.db2.gz	ULQCXTMFKAOTQN-UHFFFAOYSA-N	0	0	446.938	5.696	50	30		IKEARN
Cc1c(C#N)c(NC(=O)C2c3ccccc3Oc3ccccc32)sc1C(=O)OC(C)C	ZINC000001200325	568736759	/nfs/dbraw/zinc/73/67/59/568736759.db2.gz	NYMRXCRLUJKZNQ-UHFFFAOYSA-N	0	0	432.501	5.370	50	30		IKEARN
C[C@@H]1CC/C(=C/C=C/c2ccccc2[N+](=O)[O-])C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000137115120	568738704	/nfs/dbraw/zinc/73/87/04/568738704.db2.gz	QHSOFLQDNNTTDE-RYELTUQGSA-N	0	0	430.460	6.081	50	30		IKEARN
C#CCCCCCCCCC(=O)O[C@@H]1OCCO[C@H]1OC(=O)CCCCCCCCC#C	ZINC000006013655	568740021	/nfs/dbraw/zinc/74/00/21/568740021.db2.gz	VIBSGKFRYYRQHJ-UIOOFZCWSA-N	0	0	448.600	5.280	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000001217703	568740770	/nfs/dbraw/zinc/74/07/70/568740770.db2.gz	PIKWZUCRTCRENM-QYBDOPJKSA-N	0	0	441.487	5.583	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccc([N+](=O)[O-])c2)C3)cc1	ZINC000001217701	568740834	/nfs/dbraw/zinc/74/08/34/568740834.db2.gz	PIKWZUCRTCRENM-DWXRJYCRSA-N	0	0	441.487	5.583	50	30		IKEARN
N#Cc1ccc(Oc2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1	ZINC000001225239	568741803	/nfs/dbraw/zinc/74/18/03/568741803.db2.gz	FJNHNIGENKJYKG-UHFFFAOYSA-N	0	0	440.240	5.207	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC	ZINC000002028944	568742349	/nfs/dbraw/zinc/74/23/49/568742349.db2.gz	DHDNVEIAQQZEBC-QHCPKHFHSA-N	0	0	425.569	5.423	50	30		IKEARN
COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1	ZINC000002100690	568742789	/nfs/dbraw/zinc/74/27/89/568742789.db2.gz	CMKMKZRPKTWFRS-XZEABINHSA-N	0	0	442.467	5.233	50	30	biogenic	IKEARN
COc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O	ZINC000003206184	568742985	/nfs/dbraw/zinc/74/29/85/568742985.db2.gz	LCIYFIZWHQTBJU-OQNHBUHUSA-N	0	0	444.512	5.429	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003627459	568751925	/nfs/dbraw/zinc/75/19/25/568751925.db2.gz	KXNMAIAKSBGCKU-LHSJRXKWSA-N	0	0	435.014	5.765	50	30		IKEARN
Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccc6ccccc6c5)nc4c3)o2)cc1	ZINC000003659575	568752832	/nfs/dbraw/zinc/75/28/32/568752832.db2.gz	YYMOEWGKBALMLT-OCSSWDANSA-N	0	0	448.909	8.312	50	30		IKEARN
Oc1ccccc1/C=N/c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1	ZINC000003669046	568754081	/nfs/dbraw/zinc/75/40/81/568754081.db2.gz	BNKCJKLWEPYFTA-BHGWPJFGSA-N	0	0	445.396	7.352	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc([N+](=O)[O-])ccc1O[C@H]2c1ccccc1	ZINC000003669377	568754093	/nfs/dbraw/zinc/75/40/93/568754093.db2.gz	IFJGOADHVDIMSW-DEOSSOPVSA-N	0	0	446.547	6.407	50	30		IKEARN
Oc1ccccc1/C=N/c1ccc2nc(SCc3ccc(F)c4ccccc34)sc2c1	ZINC000003668905	568754100	/nfs/dbraw/zinc/75/41/00/568754100.db2.gz	JUQQJLPTVIOJRI-MZJWZYIUSA-N	0	0	444.556	7.337	50	30		IKEARN
CCOc1cc(Br)c(Br)c(/C=N/c2cc(C)cc(C)c2O)c1O	ZINC000001230592	568758516	/nfs/dbraw/zinc/75/85/16/568758516.db2.gz	WHZZZPKHFCEJMW-DNTJNYDQSA-N	0	0	443.135	5.389	50	30		IKEARN
COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC	ZINC000004026939	568758739	/nfs/dbraw/zinc/75/87/39/568758739.db2.gz	ODWKEQAUZHUXKA-MTVJJAAISA-N	0	0	425.569	5.510	50	30	biogenic	IKEARN
COc1ccc(/C=N/CC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC	ZINC000004026940	568758754	/nfs/dbraw/zinc/75/87/54/568758754.db2.gz	ODWKEQAUZHUXKA-NULVTVOTSA-N	0	0	425.569	5.510	50	30	biogenic	IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@@H](CC(C)C)CC(=O)O4)C1=O)cn2C	ZINC000263584853	568758969	/nfs/dbraw/zinc/75/89/69/568758969.db2.gz	BOVLCVNHEUDVOJ-ISXXMWLLSA-N	0	0	431.488	5.242	50	30	biogenic	IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc(O)c(Cl)c2)CC(=O)O3)C1=O	ZINC000263586834	568759658	/nfs/dbraw/zinc/75/96/58/568759658.db2.gz	YKCFBZLHKFKMBQ-SJJOQSKNSA-N	0	0	448.858	5.111	50	30	biogenic	IKEARN
Cc1cccc(C)c1NC(=O)CSc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N	ZINC000004046255	568759700	/nfs/dbraw/zinc/75/97/00/568759700.db2.gz	SCBHTYSAPSMJED-UHFFFAOYSA-N	0	0	429.589	6.265	50	30		IKEARN
Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)/C=C/c1ccccc1	ZINC000001257193	568775175	/nfs/dbraw/zinc/77/51/75/568775175.db2.gz	FOTKUPGUNLXXJI-FOCLMDBBSA-N	0	0	429.483	5.406	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3ccc(Cl)cc3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000263615696	568776152	/nfs/dbraw/zinc/77/61/52/568776152.db2.gz	DRVLEDRKMBCOPK-UHFFFAOYSA-N	0	0	443.883	5.137	50	30		IKEARN
COc1ccc(N=C(N2CCCCC2)[P@@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1	ZINC000263621578	568778435	/nfs/dbraw/zinc/77/84/35/568778435.db2.gz	CVZBIJNKNBIRMM-HKBQPEDESA-N	0	0	448.592	5.966	50	30		IKEARN
COc1cccc(Sc2nc(SC)nc(Sc3cccc(OC)c3)c2C#N)c1	ZINC000001324155	568779643	/nfs/dbraw/zinc/77/96/43/568779643.db2.gz	YORCFPAFHJLEAQ-UHFFFAOYSA-N	0	0	427.576	5.390	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3	ZINC000001322027	568780055	/nfs/dbraw/zinc/78/00/55/568780055.db2.gz	ARHMTDYMJHVRLU-IBGZPJMESA-N	0	0	440.634	5.466	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3	ZINC000001322026	568780079	/nfs/dbraw/zinc/78/00/79/568780079.db2.gz	ARHMTDYMJHVRLU-LJQANCHMSA-N	0	0	440.634	5.466	50	30		IKEARN
CCOc1ccc(CCNc2c(CC)c(C)c(C#N)c3nc4ccccc4n32)cc1OCC	ZINC000032099704	568780680	/nfs/dbraw/zinc/78/06/80/568780680.db2.gz	JOEATSBOLPDWPM-UHFFFAOYSA-N	0	0	442.563	5.682	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@H]21	ZINC000012719938	568782846	/nfs/dbraw/zinc/78/28/46/568782846.db2.gz	SDYMIDMUFXWPCF-DZYAFLRNSA-N	0	0	438.514	6.415	50	30		IKEARN
CCOC(=O)C1=C(C(F)(F)F)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Cl)cc1	ZINC000001382808	568784091	/nfs/dbraw/zinc/78/40/91/568784091.db2.gz	VDZQPQYBDBIKTN-OAHLLOKOSA-N	0	0	427.850	5.050	50	30		IKEARN
O/N=C/c1c(SCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc2sccn12	ZINC000001384870	568784222	/nfs/dbraw/zinc/78/42/22/568784222.db2.gz	JDSOAMCRBWVHSP-GEVRCRHISA-N	0	0	425.379	5.534	50	30		IKEARN
N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(NC(=O)c2ccccc2Cl)cc1	ZINC000001388040	568784703	/nfs/dbraw/zinc/78/47/03/568784703.db2.gz	VSHHPGRUNDJEHW-UHFFFAOYSA-N	0	0	433.842	6.029	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2cccc(C)c2)c1	ZINC000004184588	568787327	/nfs/dbraw/zinc/78/73/27/568787327.db2.gz	XGMNICRXTLLZBN-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C	ZINC000001416210	568790591	/nfs/dbraw/zinc/79/05/91/568790591.db2.gz	ADNVSXDVQBDWNQ-PVCXERSVSA-N	0	0	448.375	5.448	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2)cc1F	ZINC000016731117	568792502	/nfs/dbraw/zinc/79/25/02/568792502.db2.gz	UTPRYMKBYHTWKB-FQEVSTJZSA-N	0	0	425.843	5.159	50	30		IKEARN
CCOc1ccc(C2N=NC(=S)N2NN=Cc2cccc(Oc3ccccc3)c2)cc1	ZINC000016789672	568792781	/nfs/dbraw/zinc/79/27/81/568792781.db2.gz	MHRQKVCTWPPXLV-LFVJCYFKSA-N	0	0	431.521	5.002	50	30		IKEARN
C=CCOc1cc2c(cc1Br)n(Cc1ccccc1)c(C)c2C(=O)OCC	ZINC000096558264	568792995	/nfs/dbraw/zinc/79/29/95/568792995.db2.gz	VWEHWKIDZYTCPU-UHFFFAOYSA-N	0	0	428.326	5.502	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1ccc(F)cc1	ZINC000001429660	568794562	/nfs/dbraw/zinc/79/45/62/568794562.db2.gz	BRYSJWLHPYPQGP-SFHVURJKSA-N	0	0	448.563	5.801	50	30		IKEARN
N#Cc1cc(Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)c([N+](=O)[O-])cc1C#N	ZINC000001430722	568794594	/nfs/dbraw/zinc/79/45/94/568794594.db2.gz	YSVDLKRHSGXTAA-UHFFFAOYSA-N	0	0	427.203	5.625	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCC2	ZINC000001430161	568794702	/nfs/dbraw/zinc/79/47/02/568794702.db2.gz	HGXDRSPJWKJWCL-SFHVURJKSA-N	0	0	434.536	5.555	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccccc3F)C3=C1CCCC3=O)CCCCC2	ZINC000001430168	568794724	/nfs/dbraw/zinc/79/47/24/568794724.db2.gz	VZVPKTLQQRMNGH-QGZVFWFLSA-N	0	0	434.536	5.555	50	30		IKEARN
CCc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001432338	568795277	/nfs/dbraw/zinc/79/52/77/568795277.db2.gz	IJVGFXGSURVCEL-FQEVSTJZSA-N	0	0	444.600	5.979	50	30		IKEARN
N#Cc1cccc(NC(=O)c2ccccc2Sc2ncnc3sc4c(c32)CCC4)c1	ZINC000015643973	568800741	/nfs/dbraw/zinc/80/07/41/568800741.db2.gz	OTBPONODVMGEPA-UHFFFAOYSA-N	0	0	428.542	5.455	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@H](C1CCCCC1)Cc1ccccc1-2	ZINC000004005643	568803725	/nfs/dbraw/zinc/80/37/25/568803725.db2.gz	KWQLHHKEKMZWLM-DEOSSOPVSA-N	0	0	442.628	6.457	50	30		IKEARN
COc1ccc(-c2c(C#N)c(SCC(=O)Nc3ccccc3C)nc3c2CCCC3)cc1	ZINC000001439899	568804737	/nfs/dbraw/zinc/80/47/37/568804737.db2.gz	PTNKFMXZDWPBIY-UHFFFAOYSA-N	0	0	443.572	5.547	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@H]1C)Nc1ccccc1-2	ZINC000008452652	568812931	/nfs/dbraw/zinc/81/29/31/568812931.db2.gz	VFNQPQLDBNDLTA-DRMXPCRNSA-N	0	0	448.636	6.666	50	30		IKEARN
C=CCn1c(SCc2ccc(C)cc2C)nc2sc3c(c2c1=O)CC(C)(C)OC3	ZINC000008444375	568812940	/nfs/dbraw/zinc/81/29/40/568812940.db2.gz	IHDASOMSBJHJMY-UHFFFAOYSA-N	0	0	426.607	5.404	50	30		IKEARN
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(Cl)cc3)c2c1=O	ZINC000008439760	568813023	/nfs/dbraw/zinc/81/30/23/568813023.db2.gz	FTNHMICXXGEOIF-UHFFFAOYSA-N	0	0	446.022	6.022	50	30		IKEARN
C=CCN(C(=O)[C@H](C)Oc1ccccc1-c1nnc(-c2ccccc2)o1)c1ccccc1	ZINC000015733518	568815823	/nfs/dbraw/zinc/81/58/23/568815823.db2.gz	MVQSRWDLEALRBD-IBGZPJMESA-N	0	0	425.488	5.390	50	30		IKEARN
CC(C)(C)C(=O)[C@@H]1[C@@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12	ZINC000001445427	568816050	/nfs/dbraw/zinc/81/60/50/568816050.db2.gz	SDLIEYULIJAVBE-ZNZIZOMTSA-N	0	0	431.539	5.982	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)sc2c1	ZINC000001450581	568818075	/nfs/dbraw/zinc/81/80/75/568818075.db2.gz	KKPOCSRADBIFPD-HXUWFJFHSA-N	0	0	430.485	5.235	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000009307931	568818419	/nfs/dbraw/zinc/81/84/19/568818419.db2.gz	YLIZKMNLVRSJRH-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(SCc3ccccc3)nn2[C@H]1c1ccc(CC)cc1	ZINC000009427226	568818807	/nfs/dbraw/zinc/81/88/07/568818807.db2.gz	IFMSQQHWHAJATI-QFIPXVFZSA-N	0	0	446.576	5.151	50	30		IKEARN
FC(F)(F)c1ccc(Cl)c(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c1	ZINC000001453186	568819012	/nfs/dbraw/zinc/81/90/12/568819012.db2.gz	MKTZMRFGFVBMNQ-MZJWZYIUSA-N	0	0	434.845	6.206	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1C	ZINC000009427257	568819052	/nfs/dbraw/zinc/81/90/52/568819052.db2.gz	GATRLGOAOSOWQI-JOCHJYFZSA-N	0	0	446.576	5.205	50	30		IKEARN
O=C(OCC#CCSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Cl)cc1	ZINC000009546467	568819204	/nfs/dbraw/zinc/81/92/04/568819204.db2.gz	QJWUXPBUGSWROC-UHFFFAOYSA-N	0	0	446.959	5.691	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1	ZINC000006075241	568820593	/nfs/dbraw/zinc/82/05/93/568820593.db2.gz	MHNQMMPRWOGUCP-HXUWFJFHSA-N	0	0	447.047	7.717	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1ccc(F)cc1	ZINC000006077222	568821228	/nfs/dbraw/zinc/82/12/28/568821228.db2.gz	XAYYHUCDEMJUOB-AREMUKBSSA-N	0	0	440.518	6.279	50	30		IKEARN
C=C(C)C[C@@H](c1ccc(OC)cc1)N(Cc1ccco1)C(=S)Nc1ccccc1Cl	ZINC000013734395	568824130	/nfs/dbraw/zinc/82/41/30/568824130.db2.gz	NZFZCDRKSHXHKB-QHCPKHFHSA-N	0	0	440.996	6.848	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S	ZINC000013896354	568824307	/nfs/dbraw/zinc/82/43/07/568824307.db2.gz	JQZSDQWCPXHKOE-XESZTULISA-N	0	0	425.575	5.168	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3C)c(OCC)c2)SC1=S	ZINC000013940850	568824534	/nfs/dbraw/zinc/82/45/34/568824534.db2.gz	YAHOOWRCMBPIFH-KGENOOAVSA-N	0	0	425.575	5.360	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OC[C@H](C)COc2ccccc2)SC1=S	ZINC000013896357	568824568	/nfs/dbraw/zinc/82/45/68/568824568.db2.gz	JQZSDQWCPXHKOE-RHTHQAGFSA-N	0	0	425.575	5.168	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cccc(OCCOc3cc(C)cc(C)c3)c2)SC1=S	ZINC000015800607	568828634	/nfs/dbraw/zinc/82/86/34/568828634.db2.gz	WKRDWXRLUCRAGL-QNGOZBTKSA-N	0	0	425.575	5.148	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)SC1=S	ZINC000015799920	568828690	/nfs/dbraw/zinc/82/86/90/568828690.db2.gz	SPXVCTXEEQGIGY-ODLFYWEKSA-N	0	0	439.631	5.293	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)SC1=S	ZINC000016156260	568829220	/nfs/dbraw/zinc/82/92/20/568829220.db2.gz	XNPVROXEFOOPBC-UNOMPAQXSA-N	0	0	431.966	5.315	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C1=O	ZINC000016156183	568829327	/nfs/dbraw/zinc/82/93/27/568829327.db2.gz	POQHQOCAQWRJPI-RQZCQDPDSA-N	0	0	449.757	5.180	50	30		IKEARN
C=CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1	ZINC000016729078	568830129	/nfs/dbraw/zinc/83/01/29/568830129.db2.gz	IMLOWOKQMLZYCG-UHFFFAOYSA-N	0	0	444.453	6.635	50	30		IKEARN
C=CCn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)Nc1ccccc1C	ZINC000000672739	568831996	/nfs/dbraw/zinc/83/19/96/568831996.db2.gz	GTIVQOBKOZMFKH-UHFFFAOYSA-N	0	0	444.560	5.236	50	30		IKEARN
COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O	ZINC000001501548	568832225	/nfs/dbraw/zinc/83/22/25/568832225.db2.gz	WVQJMFMWWIUDDV-WYMPLXKRSA-N	0	0	437.293	6.031	50	30	biogenic	IKEARN
O=C1c2cccc3cccc(c32)C(=O)N1c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1	ZINC000001501755	568832247	/nfs/dbraw/zinc/83/22/47/568832247.db2.gz	XQIHDESFCGYBEX-OCSSWDANSA-N	0	0	442.474	6.250	50	30		IKEARN
C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(OC)cc3)c2c1=O	ZINC000000707048	568832262	/nfs/dbraw/zinc/83/22/62/568832262.db2.gz	YCAJRUDURSMIJA-UHFFFAOYSA-N	0	0	439.562	5.217	50	30		IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3	ZINC000000986179	568832556	/nfs/dbraw/zinc/83/25/56/568832556.db2.gz	PXSCLSQDJPNZKS-GOSISDBHSA-N	0	0	426.607	5.521	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1cccs1)-c1ccccc1CC21CCCC1	ZINC000001077779	568832726	/nfs/dbraw/zinc/83/27/26/568832726.db2.gz	LZMOFHVYLXNYCI-UHFFFAOYSA-N	0	0	448.613	5.501	50	30	biogenic	IKEARN
C=CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O	ZINC000001146084	568833099	/nfs/dbraw/zinc/83/30/99/568833099.db2.gz	FSECSJONKAOSII-PDGQHHTCSA-N	0	0	430.323	5.250	50	30		IKEARN
C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccccc3Cl)c2c1=O	ZINC000001132917	568833240	/nfs/dbraw/zinc/83/32/40/568833240.db2.gz	PMSIRPNCVGSBLE-UHFFFAOYSA-N	0	0	443.981	5.862	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2	ZINC000001791911	568834139	/nfs/dbraw/zinc/83/41/39/568834139.db2.gz	SDPWLQQQGILKIE-UHFFFAOYSA-N	0	0	428.601	5.799	50	30	biogenic	IKEARN
C=C(C)CSc1nnc2n1c1sc3c(c1c(=O)n2-c1ccc(C)cc1)[C@H](C)CCC3	ZINC000001833405	568834302	/nfs/dbraw/zinc/83/43/02/568834302.db2.gz	NPBOWTNVEQIBAF-OAHLLOKOSA-N	0	0	436.606	5.511	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC(C)(C)OC3	ZINC000001889305	568834330	/nfs/dbraw/zinc/83/43/30/568834330.db2.gz	HPVSQFHBJZHINM-UHFFFAOYSA-N	0	0	432.998	5.441	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	ZINC000001826472	568834333	/nfs/dbraw/zinc/83/43/33/568834333.db2.gz	BDOFOSZSFUNVLS-UHFFFAOYSA-N	0	0	442.628	6.537	50	30	biogenic	IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC)c3ccccc31)Nc1ccccc1-2	ZINC000002073656	568834350	/nfs/dbraw/zinc/83/43/50/568834350.db2.gz	KTYFTAHHIRPSFF-JOCHJYFZSA-N	0	0	428.517	5.482	50	30		IKEARN
C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(C)cc3)c2c1=O	ZINC000001801660	568834361	/nfs/dbraw/zinc/83/43/61/568834361.db2.gz	WSHUQAIRIFOBMG-UHFFFAOYSA-N	0	0	448.569	5.640	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1CC1CCCCC1)C1(CCCCC1)Cc1ccccc1-2	ZINC000001900297	568834378	/nfs/dbraw/zinc/83/43/78/568834378.db2.gz	BJSLVYNYMDTWSQ-UHFFFAOYSA-N	0	0	434.649	6.527	50	30	biogenic	IKEARN
C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000002060631	568834489	/nfs/dbraw/zinc/83/44/89/568834489.db2.gz	RIBHGCNTMRIMTN-UHFFFAOYSA-N	0	0	440.612	5.636	50	30	biogenic	IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2	ZINC000002073645	568834494	/nfs/dbraw/zinc/83/44/94/568834494.db2.gz	OXSLXYDRHPUFRX-IBGZPJMESA-N	0	0	442.928	5.078	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002060677	568834537	/nfs/dbraw/zinc/83/45/37/568834537.db2.gz	RKTQAEYXBXWLHU-UHFFFAOYSA-N	0	0	426.585	5.246	50	30	biogenic	IKEARN
C=CCOc1c(Cl)cc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1OCC	ZINC000002059404	568834551	/nfs/dbraw/zinc/83/45/51/568834551.db2.gz	VEOFHEQIAKDPSC-STZFKDTASA-N	0	0	433.891	5.801	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl	ZINC000002165138	568834684	/nfs/dbraw/zinc/83/46/84/568834684.db2.gz	GDWZBCGLGZEQML-YBEGLDIGSA-N	0	0	438.719	5.900	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002117645	568834721	/nfs/dbraw/zinc/83/47/21/568834721.db2.gz	ABORCRGVRMHYFP-UHFFFAOYSA-N	0	0	430.573	5.554	50	30	biogenic	IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccc(Br)cc1)CCCC3	ZINC000002233729	568834865	/nfs/dbraw/zinc/83/48/65/568834865.db2.gz	CGKQLRYTNRKXKU-UHFFFAOYSA-N	0	0	447.423	5.757	50	30		IKEARN
C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C	ZINC000002326708	568835051	/nfs/dbraw/zinc/83/50/51/568835051.db2.gz	DOFNJJKQQPLEQV-UHFFFAOYSA-N	0	0	426.611	5.145	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccc(F)cc1	ZINC000002362462	568835220	/nfs/dbraw/zinc/83/52/20/568835220.db2.gz	KKXQRMGNIGWSQH-UHFFFAOYSA-N	0	0	430.936	5.271	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc([C@H](C)CC)cc1	ZINC000002446222	568835710	/nfs/dbraw/zinc/83/57/10/568835710.db2.gz	VUBZQBOKFPKKCD-GOSISDBHSA-N	0	0	436.581	5.287	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC	ZINC000002452994	568835801	/nfs/dbraw/zinc/83/58/01/568835801.db2.gz	GGEXEBLUSMERTJ-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1cccc(OC)c1	ZINC000002452433	568835983	/nfs/dbraw/zinc/83/59/83/568835983.db2.gz	VNJFRBRIGISRRW-QGZVFWFLSA-N	0	0	436.581	5.384	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000002448277	568835991	/nfs/dbraw/zinc/83/59/91/568835991.db2.gz	LMMGFKVLNSWBSH-UHFFFAOYSA-N	0	0	449.363	5.081	50	30		IKEARN
Cc1cc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1	ZINC000018158895	568838384	/nfs/dbraw/zinc/83/83/84/568838384.db2.gz	MTCXQSFIPHYFDJ-JOCHJYFZSA-N	0	0	435.593	5.311	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)c2ccccc2Cl)cc1	ZINC000001514820	568839417	/nfs/dbraw/zinc/83/94/17/568839417.db2.gz	XXEMHPXHHSNSIJ-UHFFFAOYSA-N	0	0	439.696	5.457	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccco1	ZINC000015826243	568840685	/nfs/dbraw/zinc/84/06/85/568840685.db2.gz	GIPNFANJLQXWMG-XMMPIXPASA-N	0	0	427.504	6.128	50	30		IKEARN
C=C[C@H](COCSC)C[C@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1	ZINC000043762861	568843158	/nfs/dbraw/zinc/84/31/58/568843158.db2.gz	QRKKLUUKPHEPNI-HTCDDSELSA-N	0	0	436.658	5.855	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1OC	ZINC000100971077	568843524	/nfs/dbraw/zinc/84/35/24/568843524.db2.gz	WZPPWKXTPOEURF-UHFFFAOYSA-N	0	0	448.692	8.087	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)N(CC)c1ccccc1C	ZINC000100970147	568843551	/nfs/dbraw/zinc/84/35/51/568843551.db2.gz	HAWDERCUHIIMAR-UHFFFAOYSA-N	0	0	430.721	8.792	50	30		IKEARN
CCCCCCCCCCCCCCCCN1S(=O)(=O)c2ccccc2S1(=O)=O	ZINC000101017424	568843552	/nfs/dbraw/zinc/84/35/52/568843552.db2.gz	AGQGRGZESITICE-UHFFFAOYSA-N	0	0	443.675	5.861	50	30		IKEARN
O=C1CCCC(=O)C1[C@@H](Sc1ccccc1)[C@H]1CC2c3ccccc3C1c1ccccc12	ZINC000101082264	568843655	/nfs/dbraw/zinc/84/36/55/568843655.db2.gz	UXFUODISDMCESE-RGTVUHFVSA-N	0	0	438.592	7.010	50	30		IKEARN
CCCCCCCCCCCCCCCCC1C(=O)CCCCCCCCCCCC1=O	ZINC000101020888	568843661	/nfs/dbraw/zinc/84/36/61/568843661.db2.gz	AGHBODRJGSWKSS-UHFFFAOYSA-N	0	0	448.776	9.917	50	30		IKEARN
C=CCn1c2cc(-c3ccc([N+](=O)[O-])cc3)c(O)cc2c(C(=O)OCC)c1-c1ccccc1	ZINC000006144385	568846073	/nfs/dbraw/zinc/84/60/73/568846073.db2.gz	QQRIFUSOVJFNOD-UHFFFAOYSA-N	0	0	442.471	5.952	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2csc(N=NCc3c(Cl)ccc(Cl)c3Cl)n2)cc1	ZINC000006148925	568846743	/nfs/dbraw/zinc/84/67/43/568846743.db2.gz	IGIBFGNPVNUODV-SCDVKCJHSA-N	0	0	427.700	6.125	50	30		IKEARN
O=[N+]([O-])c1cccc(-c2csc(N=NCc3c(Cl)ccc(Cl)c3Cl)n2)c1	ZINC000006148490	568846790	/nfs/dbraw/zinc/84/67/90/568846790.db2.gz	RTGZEBQEBUTHQQ-SCDVKCJHSA-N	0	0	427.700	6.125	50	30		IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)Oc1ccc(C(C)C)cc1	ZINC000017095676	568851126	/nfs/dbraw/zinc/85/11/26/568851126.db2.gz	HZBVHBGKSMFTNF-QGZVFWFLSA-N	0	0	428.001	6.673	50	30		IKEARN
CC(C)OC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2	ZINC000019638813	568854979	/nfs/dbraw/zinc/85/49/79/568854979.db2.gz	CSPAKWLFOPDOMO-NRFANRHFSA-N	0	0	443.568	5.576	50	30		IKEARN
C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(OC)cc3)OC2=O)cc1OC	ZINC000020035507	568855506	/nfs/dbraw/zinc/85/55/06/568855506.db2.gz	VGFZCNUHRWWHKC-YBEGLDIGSA-N	0	0	443.293	5.012	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(SCC=C)n1)CCN(Cc1ccccc1)C3	ZINC000020033406	568855674	/nfs/dbraw/zinc/85/56/74/568855674.db2.gz	GKPTVTXANHXVRI-UHFFFAOYSA-N	0	0	425.648	5.806	50	30		IKEARN
C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2C)cc1OCC	ZINC000023402567	568859660	/nfs/dbraw/zinc/85/96/60/568859660.db2.gz	VYHOZHZBCVVZES-BOPFTXTBSA-N	0	0	429.303	5.210	50	30		IKEARN
O=C(/C=C/c1ccccc1OC(=O)CCCSc1ccccc1)c1cc2ccccc2o1	ZINC000015981345	568861894	/nfs/dbraw/zinc/86/18/94/568861894.db2.gz	YIVXHAMGCGZPCD-WUKNDPDISA-N	0	0	442.536	6.807	50	30		IKEARN
C=CCN1N=C(NC(=O)c2cccc(Br)c2)SC=C1c1ccc(Cl)cc1	ZINC000025575644	568862083	/nfs/dbraw/zinc/86/20/83/568862083.db2.gz	CMPZTIUXXFTVLA-UHFFFAOYSA-N	0	0	448.773	5.337	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1cccc(Cl)c1	ZINC000027016201	568862917	/nfs/dbraw/zinc/86/29/17/568862917.db2.gz	UNWZYZCMNZICAU-BZZOAKBMSA-N	0	0	435.936	6.134	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	ZINC000027017957	568862960	/nfs/dbraw/zinc/86/29/60/568862960.db2.gz	BBABVYNQFCBUHX-UYRXBGFRSA-N	0	0	437.977	5.580	50	30		IKEARN
C=CCn1c(-c2ccc(C)cc2)c(NC(=O)CC)s/c1=N\c1cccc(C(F)(F)F)c1	ZINC000027015912	568863004	/nfs/dbraw/zinc/86/30/04/568863004.db2.gz	YNXRBQWWIBAVSY-QYQHSDTDSA-N	0	0	445.510	6.311	50	30		IKEARN
C=CCN1C(=O)c2ccccc2[C@H]1c1c2ccccc2[nH]c1-c1ccc(Br)cc1	ZINC000027489098	568863834	/nfs/dbraw/zinc/86/38/34/568863834.db2.gz	KYCLETROIHSORM-DEOSSOPVSA-N	0	0	443.344	6.329	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000016034450	568867573	/nfs/dbraw/zinc/86/75/73/568867573.db2.gz	YMCXLLPIHSKVQS-SONWIMMPSA-N	0	0	437.524	5.167	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccccc1Cl	ZINC000006181445	568868173	/nfs/dbraw/zinc/86/81/73/568868173.db2.gz	PYYWMXCRXGFFHR-UHFFFAOYSA-N	0	0	448.975	6.030	50	30		IKEARN
Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CCN(Cc2ccccc2)C3)cc1	ZINC000016048041	568869403	/nfs/dbraw/zinc/86/94/03/568869403.db2.gz	PSKKVIHYKBMMJI-UHFFFAOYSA-N	0	0	433.602	5.217	50	30		IKEARN
CCc1ccc2oc(-c3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3O)nc2c1	ZINC000016162184	568871931	/nfs/dbraw/zinc/87/19/31/568871931.db2.gz	WYCAJGGUYHLPFJ-DWOGBDTMSA-N	0	0	447.332	6.941	50	30		IKEARN
O=P(N=C(Nc1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1	ZINC000006190010	568874568	/nfs/dbraw/zinc/87/45/68/568874568.db2.gz	PVKMIJRWLNIQDY-UHFFFAOYSA-N	0	0	428.428	6.811	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccccc1	ZINC000016400032	568887928	/nfs/dbraw/zinc/88/79/28/568887928.db2.gz	KEJRJGNMQKDEMN-UHFFFAOYSA-N	0	0	447.869	6.023	50	30		IKEARN
O=C(C=c1nc2c([nH]c1=O)=CC(Br)=CN2)c1ccc(C2CCCCC2)cc1	ZINC000016401260	568888038	/nfs/dbraw/zinc/88/80/38/568888038.db2.gz	JMNDCOXBLMQSMC-WQRHYEAKSA-N	0	0	426.314	5.023	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1	ZINC000015980428	568894120	/nfs/dbraw/zinc/89/41/20/568894120.db2.gz	UFWKFGZGDNADRV-XYOKQWHBSA-N	0	0	441.455	6.552	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1	ZINC000015978815	568894122	/nfs/dbraw/zinc/89/41/22/568894122.db2.gz	LZMHAEJBDAGNDI-VIZOYTHASA-N	0	0	431.557	7.248	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(Oc3ccc(C(C)(C)C)cc3)c([N+](=O)[O-])c2)cc1	ZINC000015979672	568894141	/nfs/dbraw/zinc/89/41/41/568894141.db2.gz	UWBCCRXZFIETDF-PJQLUOCWSA-N	0	0	431.488	6.589	50	30		IKEARN
COc1cccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3cccc(OC)c3)C2=O)c1	ZINC000033410715	568896167	/nfs/dbraw/zinc/89/61/67/568896167.db2.gz	AIQWHIYOLDHKFR-MQDDAKQZSA-N	0	0	425.528	5.256	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C	ZINC000006444576	568907306	/nfs/dbraw/zinc/90/73/06/568907306.db2.gz	PTHVLYUCAXUJBI-XMMPIXPASA-N	0	0	430.548	5.246	50	30		IKEARN
O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccccc1Cl	ZINC000001793192	568908110	/nfs/dbraw/zinc/90/81/10/568908110.db2.gz	IGBNYMXRBBOXEL-KHUIZHDGSA-N	0	0	435.936	5.505	50	30		IKEARN
Cc1ccc(N=C(NN=Cc2c(O)ccc3ccccc32)c2nc3ccccc3s2)cc1	ZINC000001805417	568908743	/nfs/dbraw/zinc/90/87/43/568908743.db2.gz	QJDTVBPFRKOORW-JVWAILMASA-N	0	0	436.540	6.356	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001819502	568915642	/nfs/dbraw/zinc/91/56/42/568915642.db2.gz	UPVBFCSWUQIMLY-SFQUDFHCSA-N	0	0	432.364	5.420	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Br)cc3)C2=O)cc1	ZINC000001819503	568915726	/nfs/dbraw/zinc/91/57/26/568915726.db2.gz	UPVBFCSWUQIMLY-ATVHPVEESA-N	0	0	432.364	5.420	50	30		IKEARN
O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\c1c(Cl)cccc1Cl	ZINC000001838147	568916315	/nfs/dbraw/zinc/91/63/15/568916315.db2.gz	RNBZAPQPSJVPLL-NHDPSOOVSA-N	0	0	442.254	6.097	50	30		IKEARN
O=C(Nc1ccc(/N=C/c2ccccc2)cc1Cl)c1ccc(/N=C/c2ccccc2)cc1	ZINC000001881560	568917424	/nfs/dbraw/zinc/91/74/24/568917424.db2.gz	YKQJZKLMIZYPDD-ZZASANORSA-N	0	0	437.930	7.094	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)cc1	ZINC000001882752	568917523	/nfs/dbraw/zinc/91/75/23/568917523.db2.gz	DQWUVRSLXTWWPP-STBIYBPSSA-N	0	0	438.914	7.478	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1	ZINC000006462292	568918583	/nfs/dbraw/zinc/91/85/83/568918583.db2.gz	UNCNVXBRFJEQID-JAYSCUBMSA-N	0	0	437.569	5.977	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)NC1CCCCC1	ZINC000006474284	568919849	/nfs/dbraw/zinc/91/98/49/568919849.db2.gz	ZYASSPMDJXLOMP-UHFFFAOYSA-N	0	0	427.573	5.828	50	30		IKEARN
C=CCOC(=O)Oc1ccc2c(c1)oc(C(F)(F)F)c(Oc1ccc(CC)cc1)c2=O	ZINC000001913198	568922422	/nfs/dbraw/zinc/92/24/22/568922422.db2.gz	UDPKFDDYRJMDMN-UHFFFAOYSA-N	0	0	434.366	5.868	50	30		IKEARN
COc1ccc(-c2nc3ccccc3o2)cc1/N=C/c1cc(Cc2ccccc2)ccc1O	ZINC000001947837	568923671	/nfs/dbraw/zinc/92/36/71/568923671.db2.gz	LADAJKMWVDLHAE-RDRPBHBLSA-N	0	0	434.495	6.550	50	30		IKEARN
COc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1Cl	ZINC000001947850	568923715	/nfs/dbraw/zinc/92/37/15/568923715.db2.gz	GRIQPVYRLFLXAL-ZMOGYAJESA-N	0	0	430.729	6.158	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1	ZINC000001952140	568923764	/nfs/dbraw/zinc/92/37/64/568923764.db2.gz	KJUFOAQBWVFGPE-CGIFWJFOSA-N	0	0	448.276	6.581	50	30		IKEARN
C=C1/C(=C/C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@@H](O)C[C@H]1O	ZINC000085210683	568929159	/nfs/dbraw/zinc/92/91/59/568929159.db2.gz	ZGLHBRQAEXKACO-JGIJXFTMSA-N	0	0	428.657	5.727	50	30		IKEARN
CC(C)c1cccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)c1	ZINC000064473834	568930492	/nfs/dbraw/zinc/93/04/92/568930492.db2.gz	AJPLWUXNTMWJFH-UHFFFAOYSA-N	0	0	432.955	5.738	50	30		IKEARN
CC(C)c1ccc(NC(=O)C2CCN(c3c(C#N)cnc4ccc(Cl)cc43)CC2)cc1	ZINC000064473831	568930506	/nfs/dbraw/zinc/93/05/06/568930506.db2.gz	CVCJVDCKRLVVOA-UHFFFAOYSA-N	0	0	432.955	5.738	50	30		IKEARN
Cc1ccc(C(=O)Oc2ccccc2/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1	ZINC000027023690	568939255	/nfs/dbraw/zinc/93/92/55/568939255.db2.gz	CTBHDLPTEGKULP-WPWMEQJKSA-N	0	0	425.440	5.777	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1)c1ccccc1F	ZINC000004360387	568939823	/nfs/dbraw/zinc/93/98/23/568939823.db2.gz	VORLZEVMSXWTMV-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc3c(c2)Sc2ccccc2C(=O)N3C2CCCC2)cc1	ZINC000064979821	569078279	/nfs/dbraw/zinc/07/82/79/569078279.db2.gz	GWNRCHPPASJNJX-UHFFFAOYSA-N	0	0	439.540	5.865	50	30		IKEARN
N#Cc1cccc(CSc2nc(Oc3ccc(F)cc3F)cc(-c3ccccc3)n2)c1	ZINC000036349468	569081682	/nfs/dbraw/zinc/08/16/82/569081682.db2.gz	NXHVZHJHDDMRER-UHFFFAOYSA-N	0	0	431.467	6.378	50	30		IKEARN
CCOc1cc(-c2ccc(F)cc2)nc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc21	ZINC000065114713	569106547	/nfs/dbraw/zinc/10/65/47/569106547.db2.gz	DNCQJXBRGFJBCE-UHFFFAOYSA-N	0	0	447.491	5.112	50	30		IKEARN
N#Cc1nc([C@@H]2C[C@@H]2c2ccccc2)oc1NC[C@@H](c1ccc(F)cc1F)N1CCCC1	ZINC000238882230	569137643	/nfs/dbraw/zinc/13/76/43/569137643.db2.gz	CUSNQPJPCUMNGJ-VIZSFHNOSA-N	0	0	434.490	5.345	50	30		IKEARN
CCCCN=c1scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCCCCC1	ZINC000588015851	569140052	/nfs/dbraw/zinc/14/00/52/569140052.db2.gz	QDXIBALUAZJIQH-UHFFFAOYSA-N	0	0	426.586	5.197	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3cccc(C#N)c3)n2)cc1	ZINC000170623832	569148426	/nfs/dbraw/zinc/14/84/26/569148426.db2.gz	GYMVKXGQVGVMKK-UHFFFAOYSA-N	0	0	425.435	5.812	50	30		IKEARN
N#Cc1ccc(-c2ccccc2)nc1SCCC(=O)OCC(=O)c1ccc(Cl)cc1	ZINC000013579564	569156303	/nfs/dbraw/zinc/15/63/03/569156303.db2.gz	CWZKGBRQPSIOIQ-UHFFFAOYSA-N	0	0	436.920	5.182	50	30		IKEARN
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(C)cc3)n2)cc1	ZINC000016729023	569160535	/nfs/dbraw/zinc/16/05/35/569160535.db2.gz	SKPYGJXBONQAQJ-UHFFFAOYSA-N	0	0	428.479	6.639	50	30		IKEARN
CCCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccccc3F)n2)cc1	ZINC000016728825	569160551	/nfs/dbraw/zinc/16/05/51/569160551.db2.gz	VIGGYLSUQFIPKA-UHFFFAOYSA-N	0	0	446.469	6.859	50	30		IKEARN
COc1ccc(/C=C/c2nc(C#N)c(N3CCC(Cc4ccccc4)CC3)o2)cc1OC	ZINC000016768438	569161357	/nfs/dbraw/zinc/16/13/57/569161357.db2.gz	YYASXHGWZBRWBC-PKNBQFBNSA-N	0	0	429.520	5.193	50	30		IKEARN
Cc1ccccc1C(=O)N[C@H](Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl	ZINC000002071611	569162139	/nfs/dbraw/zinc/16/21/39/569162139.db2.gz	MJLKQVLUJLZLEN-GOSISDBHSA-N	0	0	442.799	5.345	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1Cl	ZINC000016805406	569162151	/nfs/dbraw/zinc/16/21/51/569162151.db2.gz	CGFDRFPRPCOMSH-UHFFFAOYSA-N	0	0	439.289	7.238	50	30		IKEARN
N#Cc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Br)cc3s2)cc1	ZINC000016838748	569162657	/nfs/dbraw/zinc/16/26/57/569162657.db2.gz	QTJIEAXOJBMMIP-UHFFFAOYSA-N	0	0	449.333	5.172	50	30		IKEARN
Cc1ccc(Cl)c(O[C@H](C)C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1	ZINC000017097323	569172481	/nfs/dbraw/zinc/17/24/81/569172481.db2.gz	MCSNZOBIVIMKIB-CABCVRRESA-N	0	0	431.001	6.139	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1	ZINC000017100042	569173294	/nfs/dbraw/zinc/17/32/94/569173294.db2.gz	POKKOXYKBYYTQJ-LBPRGKRZSA-N	0	0	436.408	7.112	50	30		IKEARN
Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c3ccccc3n2)c1	ZINC000002082202	569177182	/nfs/dbraw/zinc/17/71/82/569177182.db2.gz	JYQLWEQFKRWXBZ-KRWDZBQOSA-N	0	0	437.568	6.521	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(OC)c(OC)c3)sc2C1	ZINC000002081517	569177226	/nfs/dbraw/zinc/17/72/26/569177226.db2.gz	AEUQPGDABIMYAX-FWVUHSSSSA-N	0	0	438.593	5.830	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1C#N	ZINC000002081476	569177291	/nfs/dbraw/zinc/17/72/91/569177291.db2.gz	RWERBGSYZDPZHW-UHFFFAOYSA-N	0	0	437.977	6.673	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1OC	ZINC000002098185	569179436	/nfs/dbraw/zinc/17/94/36/569179436.db2.gz	BKKUNXIMIZBHFR-UUYOSTAYSA-N	0	0	436.847	5.193	50	30	biogenic	IKEARN
CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)c1	ZINC000002108643	569179693	/nfs/dbraw/zinc/17/96/93/569179693.db2.gz	BNXWLICBLHZQHT-UHFFFAOYSA-N	0	0	436.027	5.391	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c(OC)c1	ZINC000002103883	569180053	/nfs/dbraw/zinc/18/00/53/569180053.db2.gz	LUROYPXYWUIEBX-JJFYIABZSA-N	0	0	436.847	5.193	50	30	biogenic	IKEARN
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	ZINC000102301841	569181749	/nfs/dbraw/zinc/18/17/49/569181749.db2.gz	VTVZBJAINPBAPU-ANHCSCTASA-N	0	0	449.963	5.663	50	30		IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl	ZINC000252430791	569183452	/nfs/dbraw/zinc/18/34/52/569183452.db2.gz	KAZZDRRNZVOQBJ-QQCNCCSXSA-N	0	0	441.402	7.030	50	30		IKEARN
COc1ccccc1COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3O[C@@H]1C)C2=O	ZINC000002127519	569184164	/nfs/dbraw/zinc/18/41/64/569184164.db2.gz	RTEUYVDLVWAUKU-IOFNULOHSA-N	0	0	426.468	5.598	50	30	biogenic	IKEARN
N#Cc1c(SCc2ccccc2)nc2c(c1-c1ccc(Cl)cc1)CCc1sccc1-2	ZINC000002150639	569187305	/nfs/dbraw/zinc/18/73/05/569187305.db2.gz	FIXGDQANLRRFDP-UHFFFAOYSA-N	0	0	445.012	7.393	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Cl)sc2C1	ZINC000002158551	569187316	/nfs/dbraw/zinc/18/73/16/569187316.db2.gz	VPCGIDJRNCSMPJ-ZDUSSCGKSA-N	0	0	446.041	5.941	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3Cl)sc2C1	ZINC000002163513	569188852	/nfs/dbraw/zinc/18/88/52/569188852.db2.gz	MWZUIROGVOFBTI-GFCCVEGCSA-N	0	0	437.392	6.095	50	30		IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@@H]2C)C3=O)c1	ZINC000002160999	569189038	/nfs/dbraw/zinc/18/90/38/569189038.db2.gz	BWWIYKOHPQCDQA-OOHHOYHOSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
Cc1cccc(C)c1N=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000252590207	569191737	/nfs/dbraw/zinc/19/17/37/569191737.db2.gz	ARBUPTTYLSOIQS-AQAUNXFGSA-N	0	0	429.501	6.020	50	30		IKEARN
CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)SC1=Nc1ccc2sc(C)nc2c1	ZINC000252589391	569191739	/nfs/dbraw/zinc/19/17/39/569191739.db2.gz	AKHOKHGINBMDAY-OIHKMWOHSA-N	0	0	446.601	5.952	50	30		IKEARN
C=CCn1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)c2ccccc21	ZINC000252590556	569191773	/nfs/dbraw/zinc/19/17/73/569191773.db2.gz	ATHHIMMRTKFDOV-OFGWUVNBSA-N	0	0	435.552	6.636	50	30		IKEARN
Cc1cccc(C)c1N=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000252590208	569191787	/nfs/dbraw/zinc/19/17/87/569191787.db2.gz	ARBUPTTYLSOIQS-QGJBXVFPSA-N	0	0	429.501	6.020	50	30		IKEARN
O=[N+]([O-])c1ccccc1-c1ccc(C=Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)o1	ZINC000252591408	569192498	/nfs/dbraw/zinc/19/24/98/569192498.db2.gz	BBGRMMLGMSPOBT-UHFFFAOYSA-N	0	0	443.846	7.067	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000252593204	569192777	/nfs/dbraw/zinc/19/27/77/569192777.db2.gz	BJKOPLOZQDQIOT-VWLOTQADSA-N	0	0	440.568	5.975	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000252593152	569192804	/nfs/dbraw/zinc/19/28/04/569192804.db2.gz	BJKOPLOZQDQIOT-RUZDIDTESA-N	0	0	440.568	5.975	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1O	ZINC000252596789	569193272	/nfs/dbraw/zinc/19/32/72/569193272.db2.gz	CMKSGDKULPPFME-ZQXLJOGCSA-N	0	0	430.529	5.826	50	30		IKEARN
C=CCNC(=S)c1c(-c2ccc(C)cc2)c2c3n1cc(-c1ccccc1)n3CCCC2	ZINC000002206170	569193402	/nfs/dbraw/zinc/19/34/02/569193402.db2.gz	RPVAOZZIWBGLPM-UHFFFAOYSA-N	0	0	425.601	6.171	50	30		IKEARN
C[C@@H](NC(=O)CSc1nc2ccc(N=Cc3ccc(F)cc3)cc2s1)c1ccccc1	ZINC000252597736	569193406	/nfs/dbraw/zinc/19/34/06/569193406.db2.gz	CUNJYZJOJJYKJT-MRXNPFEDSA-N	0	0	449.576	6.156	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccccc2F)C(=O)N1c1ccccc1CC	ZINC000252603481	569194201	/nfs/dbraw/zinc/19/42/01/569194201.db2.gz	FSAUDCMJXZUFGS-KISRHMMLSA-N	0	0	430.548	6.759	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C	ZINC000252605666	569194357	/nfs/dbraw/zinc/19/43/57/569194357.db2.gz	GLNJMEZRLIUPJR-XQVDRLQHSA-N	0	0	432.501	5.229	50	30		IKEARN
O=[N+]([O-])c1cc(C=Nc2c(-c3ccco3)nc3ccc(Cl)cn32)c(Cl)cc1Cl	ZINC000252605853	569194409	/nfs/dbraw/zinc/19/44/09/569194409.db2.gz	GNMIPJKISWRCRN-UHFFFAOYSA-N	0	0	435.654	6.213	50	30		IKEARN
CCOc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1	ZINC000252604384	569194413	/nfs/dbraw/zinc/19/44/13/569194413.db2.gz	FZFSZHXVPDKCMF-PMERELPUSA-N	0	0	445.566	7.192	50	30		IKEARN
COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c1	ZINC000252607005	569194516	/nfs/dbraw/zinc/19/45/16/569194516.db2.gz	GXMBUPUSJQJUTO-ZYITZIQLSA-N	0	0	430.529	5.508	50	30		IKEARN
CCOc1ccc(Cl)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2	ZINC000252608303	569195192	/nfs/dbraw/zinc/19/51/92/569195192.db2.gz	HIJAXYPXZLERBN-UHFFFAOYSA-N	0	0	445.028	6.492	50	30		IKEARN
Oc1cc(O)c(C=Nc2ccc3sc(-c4ccccc4)nc3c2)cc1Br	ZINC000252608335	569195232	/nfs/dbraw/zinc/19/52/32/569195232.db2.gz	HJILGPZMXYAJAD-UHFFFAOYSA-N	0	0	425.307	5.888	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3ccc(Br)o3)C(=O)N2CC(C)C)cc1	ZINC000252608826	569195368	/nfs/dbraw/zinc/19/53/68/569195368.db2.gz	HNSQPHVTLBICIO-NIHZCWFLSA-N	0	0	435.343	5.311	50	30		IKEARN
COc1ccc(C=Nc2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1	ZINC000252610349	569195502	/nfs/dbraw/zinc/19/55/02/569195502.db2.gz	IAVIUQBSFAIHJI-UHFFFAOYSA-N	0	0	448.953	7.981	50	30		IKEARN
O=C1/C(=C\c2c[nH]c3ccc(Br)cc23)SC(=Nc2ccccc2)N1C1CC1	ZINC000252611348	569197301	/nfs/dbraw/zinc/19/73/01/569197301.db2.gz	IJCKTLPHKMQYDC-TVZAGCQJSA-N	0	0	438.350	5.697	50	30		IKEARN
CCCCCCCCCCCCCCc1ccc(N=Nc2ccc(N)c3ccccc23)cc1	ZINC000252615307	569197500	/nfs/dbraw/zinc/19/75/00/569197500.db2.gz	JQZMFOKYTVTCEW-UHFFFAOYSA-N	0	0	443.679	10.081	50	30		IKEARN
Cc1ccc(N=C2S/C(=C\c3cc(Cl)ccc3O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252614432	569197507	/nfs/dbraw/zinc/19/75/07/569197507.db2.gz	JJFHRYQLFXFWNT-WJEPFGLZSA-N	0	0	434.948	6.471	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252615175	569197515	/nfs/dbraw/zinc/19/75/15/569197515.db2.gz	JQFLEOSSGQGCKX-IRZHRRCCSA-N	0	0	426.538	5.117	50	30		IKEARN
S=C1N=NC(c2ccccc2)N1N=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000252615100	569197572	/nfs/dbraw/zinc/19/75/72/569197572.db2.gz	JOVGUMFGBVGINY-UHFFFAOYSA-N	0	0	425.311	5.139	50	30		IKEARN
CCCCN1c2ccccc2/C(=C2/SC(=Nc3ccc(Cl)cc3)N(C)C2=O)C1=O	ZINC000252614441	569197583	/nfs/dbraw/zinc/19/75/83/569197583.db2.gz	JJIBUHATVABDNO-YFWHMSOXSA-N	0	0	425.941	5.091	50	30		IKEARN
COc1cccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)c1	ZINC000252616346	569197656	/nfs/dbraw/zinc/19/76/56/569197656.db2.gz	JZTGGLKGODRTLO-IXQMQDOZSA-N	0	0	442.584	6.737	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3ccccc3F)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252616594	569197668	/nfs/dbraw/zinc/19/76/68/569197668.db2.gz	KBLXMUMJJKKJAP-AIMMPNMZSA-N	0	0	430.548	6.759	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccc(O)cc2)C(=O)N1c1ccccc1CC	ZINC000252616324	569197686	/nfs/dbraw/zinc/19/76/86/569197686.db2.gz	JZPDBACNEOGMFU-DNKROPNVSA-N	0	0	428.557	6.326	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3c[nH]c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000252617165	569197692	/nfs/dbraw/zinc/19/76/92/569197692.db2.gz	KNLCQTIEBLYWRY-VYYDMKJGSA-N	0	0	445.588	6.503	50	30		IKEARN
CC[C@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000252619142	569198153	/nfs/dbraw/zinc/19/81/53/569198153.db2.gz	LNIFIALKAWDNAG-CDWCNJIQSA-N	0	0	440.565	5.123	50	30		IKEARN
FC(F)(F)c1nc(N=NCc2ccc(Br)cc2)sc1-c1ccccc1	ZINC000252619118	569198168	/nfs/dbraw/zinc/19/81/68/569198168.db2.gz	LMQQVMLVKFGOMW-UHFFFAOYSA-N	0	0	426.261	6.037	50	30		IKEARN
COc1ccc2c(c1)N(C)/C(=C1/SC(=Nc3ccccc3)N(c3ccccc3)C1=O)S2	ZINC000252619646	569198499	/nfs/dbraw/zinc/19/84/99/569198499.db2.gz	LRTLXHFKGLXMSR-SEYIQKDNSA-N	0	0	445.569	5.874	50	30		IKEARN
Cc1nnc(N=C(N2N=C(C)S[C@@H]2c2ccc(C)cc2)N2CCc3ccccc3C2)s1	ZINC000252621056	569201634	/nfs/dbraw/zinc/20/16/34/569201634.db2.gz	MRYZLGGBZOLKEJ-OAQYLSRUSA-N	0	0	448.621	5.282	50	30		IKEARN
COc1ccc(Cl)cc1/C=C1\SC(=Nc2ccc(C)cc2)N(c2ccc(C)cc2)C1=O	ZINC000252621152	569201666	/nfs/dbraw/zinc/20/16/66/569201666.db2.gz	MTZVPOYKYSIUND-YOIRLTMBSA-N	0	0	448.975	6.774	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C2/c3ccccc3N(C)C2=O)C(=O)N1c1ccccc1C	ZINC000252621218	569201676	/nfs/dbraw/zinc/20/16/76/569201676.db2.gz	MVLAYSHQJMDJKV-SHXUIJRESA-N	0	0	439.540	5.459	50	30		IKEARN
Cc1ccccc1NN=C(C(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1	ZINC000252621762	569201717	/nfs/dbraw/zinc/20/17/17/569201717.db2.gz	NGFRSYJEESVIHS-UHFFFAOYSA-N	0	0	426.303	5.591	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1	ZINC000252621863	569201750	/nfs/dbraw/zinc/20/17/50/569201750.db2.gz	NIHKSWNBESYGTQ-HSZRJFAPSA-N	0	0	449.620	6.080	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1	ZINC000252622738	569201871	/nfs/dbraw/zinc/20/18/71/569201871.db2.gz	OBPBUAWGQFZUQD-ZZYMSUEGSA-N	0	0	435.332	5.404	50	30		IKEARN
CSc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000252623370	569202163	/nfs/dbraw/zinc/20/21/63/569202163.db2.gz	OPLJQUSNFAWQNM-ZYITZIQLSA-N	0	0	430.598	6.834	50	30		IKEARN
CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=Nc1ccccc1	ZINC000252623837	569202165	/nfs/dbraw/zinc/20/21/65/569202165.db2.gz	PAJLDDXCQWORLE-DRIWLZCMSA-N	0	0	434.948	6.153	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)C2=O	ZINC000252623207	569202184	/nfs/dbraw/zinc/20/21/84/569202184.db2.gz	OMJIZRMQBBHMOY-BCBYZYKNSA-N	0	0	441.453	7.444	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1	ZINC000252623857	569202292	/nfs/dbraw/zinc/20/22/92/569202292.db2.gz	PAYRFYHAYXRJCI-AHLKSMJESA-N	0	0	439.540	5.680	50	30		IKEARN
O=C1CC(=NN=c2scc(-c3ccc(Cl)cc3)n2-c2ccccc2)c2ccccc21	ZINC000252624123	569202546	/nfs/dbraw/zinc/20/25/46/569202546.db2.gz	PGUFQQJWSLCLJN-UHFFFAOYSA-N	0	0	429.932	5.751	50	30		IKEARN
CCOc1cccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000252624184	569202621	/nfs/dbraw/zinc/20/26/21/569202621.db2.gz	PINVISQOLIUBCR-GQUXDKRHSA-N	0	0	444.556	6.216	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000252624209	569202681	/nfs/dbraw/zinc/20/26/81/569202681.db2.gz	PIYTUXFPRDSHRQ-APZKEAJMSA-N	0	0	428.557	6.434	50	30		IKEARN
COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1CSc1nc2ccccc2[nH]1	ZINC000002214476	569202819	/nfs/dbraw/zinc/20/28/19/569202819.db2.gz	MXKPRWUUTPBDAL-ZVHZXABRSA-N	0	0	447.589	5.184	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/C=C/c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252624531	569202952	/nfs/dbraw/zinc/20/29/52/569202952.db2.gz	PPVNLTXZAAHASO-OSTDAHTDSA-N	0	0	438.596	7.176	50	30		IKEARN
CCc1ccc(-c2nc3cc(N=Cc4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3o2)cc1	ZINC000252625436	569203165	/nfs/dbraw/zinc/20/31/65/569203165.db2.gz	QJTWQQJSAYULSE-UHFFFAOYSA-N	0	0	437.455	6.575	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(N=Cc4cccc(Br)c4)ccc3o2)cc1	ZINC000252625184	569203186	/nfs/dbraw/zinc/20/31/86/569203186.db2.gz	QEYOERKBYJROCF-UHFFFAOYSA-N	0	0	433.349	7.305	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252626256	569203304	/nfs/dbraw/zinc/20/33/04/569203304.db2.gz	QZFGQBJWAPWRSN-RLPJPJOASA-N	0	0	425.340	6.802	50	30		IKEARN
O=C(Nc1ccc(N=C/C=C\c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	ZINC000252627041	569203327	/nfs/dbraw/zinc/20/33/27/569203327.db2.gz	RKVOIYPIDGWDSG-KUISUMHASA-N	0	0	429.734	7.315	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000252627483	569203516	/nfs/dbraw/zinc/20/35/16/569203516.db2.gz	RVGPTYYAVVIMHX-UNHHPBJVSA-N	0	0	444.556	6.129	50	30		IKEARN
C=CCN1C(=O)/C(=C2\Sc3ccc(Cl)cc3N2C)SC1=Nc1ccc(Cl)cc1	ZINC000252627255	569203534	/nfs/dbraw/zinc/20/35/34/569203534.db2.gz	RPXZXDKQLMGGMG-POSJOTSYSA-N	0	0	448.400	6.154	50	30		IKEARN
CCOc1cc2c(cc1/C=C1\SC(=Nc3ccccc3)N(Cc3ccco3)C1=O)OCO2	ZINC000252627207	569203556	/nfs/dbraw/zinc/20/35/56/569203556.db2.gz	ROUYAPDUUUROKS-PHCYPTEHSA-N	0	0	448.500	5.211	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252628519	569203600	/nfs/dbraw/zinc/20/36/00/569203600.db2.gz	SRZZRVYDVLHOKV-ZQWONFHDSA-N	0	0	440.612	7.237	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252628205	569203673	/nfs/dbraw/zinc/20/36/73/569203673.db2.gz	SKXGJPMPICTUNM-HNYZTYFESA-N	0	0	440.565	5.507	50	30		IKEARN
COc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000252628809	569203688	/nfs/dbraw/zinc/20/36/88/569203688.db2.gz	SYGYADBSIGVFRH-ARKVWGHASA-N	0	0	430.529	5.826	50	30		IKEARN
Cc1nn(C)cc1C=Nc1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2	ZINC000252628668	569203727	/nfs/dbraw/zinc/20/37/27/569203727.db2.gz	SVHWGRXZNDGIFN-SFHVURJKSA-N	0	0	440.657	5.754	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=C\C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1	ZINC000252628698	569203741	/nfs/dbraw/zinc/20/37/41/569203741.db2.gz	SVVNCOSUAMKAGP-NDHAVUBYSA-N	0	0	448.276	6.581	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccccc2CC)N(CC)C1=O	ZINC000252629247	569203781	/nfs/dbraw/zinc/20/37/81/569203781.db2.gz	UCDIRXNTFIAGTA-OFGWUVNBSA-N	0	0	444.600	6.815	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c1O	ZINC000252628985	569203798	/nfs/dbraw/zinc/20/37/98/569203798.db2.gz	TWHKLDDIONUDGJ-UHFFFAOYSA-N	0	0	437.293	6.031	50	30		IKEARN
O=C1CCCC/C1=C1/SC(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252629912	569203905	/nfs/dbraw/zinc/20/39/05/569203905.db2.gz	UQFVZTVHLXGIEC-LJKYRGLPSA-N	0	0	437.568	7.055	50	30		IKEARN
CCn1c2ccccc2c2cc(C=NN3CCN(Cc4ccc(Cl)cc4)CC3)ccc21	ZINC000252629633	569203956	/nfs/dbraw/zinc/20/39/56/569203956.db2.gz	UKLUKQFXADFNPT-UHFFFAOYSA-N	0	0	430.983	5.620	50	30		IKEARN
Oc1ccc(Cl)cc1C=Nc1cc(C(F)(F)F)ccc1Oc1ccc(Cl)cc1	ZINC000252631368	569204469	/nfs/dbraw/zinc/20/44/69/569204469.db2.gz	VKCSIAQWASAEHJ-UHFFFAOYSA-N	0	0	426.221	7.261	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(N=C/C=C\c4cccc([N+](=O)[O-])c4)ccc3o2)cc1	ZINC000252631407	569204479	/nfs/dbraw/zinc/20/44/79/569204479.db2.gz	VKSDRAQNEXCQDF-CXIRDOBYSA-N	0	0	425.488	7.116	50	30		IKEARN
CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1	ZINC000252630875	569204483	/nfs/dbraw/zinc/20/44/83/569204483.db2.gz	VFLYQKHOKFQGFC-UHFFFAOYSA-N	0	0	438.531	6.141	50	30		IKEARN
CCNC(=S)N/N=C/c1ccc(OC)c(COc2cc(C)c(Cl)cc2C(C)C)c1	ZINC000002223633	569204721	/nfs/dbraw/zinc/20/47/21/569204721.db2.gz	YNCOTJWNYLPTGX-BRJLIKDPSA-N	0	0	434.005	5.177	50	30		IKEARN
Clc1ccc(-c2nc3ccc(N=Cc4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl	ZINC000252634671	569207768	/nfs/dbraw/zinc/20/77/68/569207768.db2.gz	WQIOQJZAWYMGFX-UHFFFAOYSA-N	0	0	445.689	6.934	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)SC1=Nc1ccc(C)c(C)c1	ZINC000252634792	569207795	/nfs/dbraw/zinc/20/77/95/569207795.db2.gz	WQVAFROCZAAHDK-PXWOKZSGSA-N	0	0	445.382	5.698	50	30		IKEARN
CCOc1cc(/C=C2\SC(=Nc3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O	ZINC000252638274	569208310	/nfs/dbraw/zinc/20/83/10/569208310.db2.gz	YASOULSQRVOPLY-PNVGRYOSSA-N	0	0	430.957	5.704	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000252638119	569208188	/nfs/dbraw/zinc/20/81/88/569208188.db2.gz	XZNYWKZYTUABSV-ZNCAUEQNSA-N	0	0	444.556	6.293	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc([N+](=O)[O-])cc1C=Nc1ccc2c(c1)oc1ccccc12	ZINC000252637284	569208211	/nfs/dbraw/zinc/20/82/11/569208211.db2.gz	XREVEVJIGHQCDH-UHFFFAOYSA-N	0	0	443.547	7.363	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3c(C)[nH]c4ccccc43)C(=O)N2C2CCCCC2)cc1	ZINC000252638324	569208314	/nfs/dbraw/zinc/20/83/14/569208314.db2.gz	YBGYWIGKLVPOKY-OFYGDPCRSA-N	0	0	445.588	6.422	50	30		IKEARN
CCOc1ccc2nc(Sc3ccc(C=Nc4ccc5ccccc5c4)o3)sc2c1	ZINC000252639017	569208340	/nfs/dbraw/zinc/20/83/40/569208340.db2.gz	YHHSGWMOWZTUTC-UHFFFAOYSA-N	0	0	430.554	7.343	50	30		IKEARN
COc1ccc(-c2csc(NC(=O)c3ccc(C)c(Cl)c3)n2)cc1Br	ZINC000002258577	569215436	/nfs/dbraw/zinc/21/54/36/569215436.db2.gz	WDQMQMPBICHJMQ-UHFFFAOYSA-N	0	0	437.746	6.179	50	30		IKEARN
COc1ccc(N=C/C=C2\C=C(c3ccccc3)OC3(O2)C2CC4CC(C2)CC3C4)cc1	ZINC000252640271	569208703	/nfs/dbraw/zinc/20/87/03/569208703.db2.gz	YSMDAGNFOXSLGJ-PHBIBBRYSA-N	0	0	427.544	6.522	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1	ZINC000198244411	569209349	/nfs/dbraw/zinc/20/93/49/569209349.db2.gz	LRZMINYCHKGPFT-OIYHUGEZSA-N	0	0	443.503	5.829	50	30		IKEARN
Cc1ccc2oc(-c3ccc(N=Cc4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nc2c1	ZINC000252643466	569209463	/nfs/dbraw/zinc/20/94/63/569209463.db2.gz	ZUXCKQDXJCPZCG-UHFFFAOYSA-N	0	0	447.321	8.121	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2ccccc2OC)C(=O)N1c1ccccc1CC	ZINC000252642210	569209468	/nfs/dbraw/zinc/20/94/68/569209468.db2.gz	ZJXFXNJPTOKNLR-SBEYKLCGSA-N	0	0	442.584	6.629	50	30		IKEARN
O=C1C(=O)N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252643778	569209475	/nfs/dbraw/zinc/20/94/75/569209475.db2.gz	ZWNJGNCJOKAGTH-UHFFFAOYSA-N	0	0	444.494	5.527	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)cc2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252642743	569209493	/nfs/dbraw/zinc/20/94/93/569209493.db2.gz	ZPDZJAANZQTWKI-HJFHBGSISA-N	0	0	435.346	6.258	50	30		IKEARN
COc1cc(C=Nc2ccc(C(C)=O)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000252643552	569209494	/nfs/dbraw/zinc/20/94/94/569209494.db2.gz	ZVVHEEOKUZGKEE-UHFFFAOYSA-N	0	0	435.392	5.257	50	30		IKEARN
CC1(C)OC(c2ccccc2)=C/C(=C/C=Nc2ccc(Cl)cc2C(=O)c2ccccc2)O1	ZINC000252679391	569210602	/nfs/dbraw/zinc/21/06/02/569210602.db2.gz	LRYWPGGNVAJLHF-LPQVLLHSSA-N	0	0	443.930	6.981	50	30		IKEARN
CCCCCCCCn1c(N)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21	ZINC000002233764	569210894	/nfs/dbraw/zinc/21/08/94/569210894.db2.gz	ATCSUMHYLAIMFH-UHFFFAOYSA-N	0	0	436.581	5.360	50	30		IKEARN
C=CCn1c(=O)c2c(-c3ccccc3)csc2nc1SCC(=O)c1ccc(F)cc1	ZINC000002886637	569211230	/nfs/dbraw/zinc/21/12/30/569211230.db2.gz	ZPTCYXOQBULOLI-UHFFFAOYSA-N	0	0	436.533	5.425	50	30		IKEARN
C=C[C@@H]1Oc2ccc(Br)cc2NC12C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2	ZINC000003668708	569212053	/nfs/dbraw/zinc/21/20/53/569212053.db2.gz	SAUDVEBWTPDHPK-IBGZPJMESA-N	0	0	430.386	6.075	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccc(F)cc1	ZINC000002235167	569212070	/nfs/dbraw/zinc/21/20/70/569212070.db2.gz	WRYJORCCMJUHCY-JAIQZWGSSA-N	0	0	429.230	5.968	50	30		IKEARN
O=C(COc1ccc(C=Nc2cccc([N+](=O)[O-])c2)cc1)c1ccc(-c2ccccc2)cc1	ZINC000003082679	569213142	/nfs/dbraw/zinc/21/31/42/569213142.db2.gz	PHVBJRQBJMMWPH-MTDXEUNCSA-N	0	0	436.467	6.274	50	30		IKEARN
Cc1ccc(C)c(/N=C/c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc2)c1	ZINC000003085820	569213186	/nfs/dbraw/zinc/21/31/86/569213186.db2.gz	BPUWDPVSUTWIJW-NJZRLIGZSA-N	0	0	433.551	7.182	50	30		IKEARN
Cc1cccc2oc(-c3ccc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)cc3)nc21	ZINC000003115289	569213239	/nfs/dbraw/zinc/21/32/39/569213239.db2.gz	GCBFMHYRWXDEGB-FSJBWODESA-N	0	0	436.265	6.225	50	30		IKEARN
Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCCC1	ZINC000002245082	569213483	/nfs/dbraw/zinc/21/34/83/569213483.db2.gz	UOADOWYMLNCDKJ-OVVQPSECSA-N	0	0	449.392	6.486	50	30		IKEARN
O=C(Nc1cccc(N=CC2=CC(=[NH+][N-]c3ccccc3Cl)C=CC2=O)c1)c1ccco1	ZINC000027472185	569213941	/nfs/dbraw/zinc/21/39/41/569213941.db2.gz	KBCYZVZQYZBOBI-ZXIVSDKTSA-N	0	0	444.878	7.057	50	30		IKEARN
O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000027471626	569213956	/nfs/dbraw/zinc/21/39/56/569213956.db2.gz	HZXBTISGCZQUBM-WQRHYEAKSA-N	0	0	425.853	5.400	50	30		IKEARN
Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@@H](c3ccccc3)C2)cc1	ZINC000027474039	569214076	/nfs/dbraw/zinc/21/40/76/569214076.db2.gz	DFEQTOYKKZYOKV-AWUWXFTQSA-N	0	0	435.958	7.446	50	30		IKEARN
C=C(C)CSc1nnc2n1c(=O)c1c(n2CC(=C)C)-c2ccccc2CC12CCCC2	ZINC000002247974	569214650	/nfs/dbraw/zinc/21/46/50/569214650.db2.gz	XEVMACPTXXFZAK-UHFFFAOYSA-N	0	0	432.593	5.170	50	30		IKEARN
CCCOC(=O)CSc1nc2c(c(-c3ccccc3)c1C#N)CC/C2=C\c1ccccc1	ZINC000027490387	569215606	/nfs/dbraw/zinc/21/56/06/569215606.db2.gz	ACCFKNZQUIQRHI-LTGZKZEYSA-N	0	0	440.568	6.152	50	30		IKEARN
N#Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1	ZINC000002261395	569215620	/nfs/dbraw/zinc/21/56/20/569215620.db2.gz	VPMIHQLYCNIERV-UHFFFAOYSA-N	0	0	448.345	5.312	50	30		IKEARN
Clc1ccc(Cn2c(/C=N/C(c3ccccc3)c3ccccc3)nc3ccccc32)cc1	ZINC000027498517	569215825	/nfs/dbraw/zinc/21/58/25/569215825.db2.gz	CWYUIMJMVFULBD-NDZAJKAJSA-N	0	0	435.958	6.947	50	30		IKEARN
O=C(c1ccc(F)cc1)C1=C2NC(=O)c3c4c(sc3N2Cc2ccccc21)CCCC4	ZINC000002262077	569215928	/nfs/dbraw/zinc/21/59/28/569215928.db2.gz	OZZVVJLELNATTI-UHFFFAOYSA-N	0	0	430.504	5.081	50	30		IKEARN
Cc1cc(I)cc(/C=N/c2ccc3c(c2)Cc2ccccc2-3)c1O	ZINC000027501143	569216566	/nfs/dbraw/zinc/21/65/66/569216566.db2.gz	ZQWDTRCJQQRSKU-FSJBWODESA-N	0	0	425.269	5.627	50	30		IKEARN
C=CCn1c(SCc2ccc(C)cc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002271894	569217469	/nfs/dbraw/zinc/21/74/69/569217469.db2.gz	BXBSLJLRSYAPPY-UHFFFAOYSA-N	0	0	442.628	6.373	50	30		IKEARN
C=C(C)CSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002271825	569217500	/nfs/dbraw/zinc/21/75/00/569217500.db2.gz	PVWPLLUVQBTQJO-UHFFFAOYSA-N	0	0	428.601	5.995	50	30		IKEARN
CCCCCCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000002271540	569217550	/nfs/dbraw/zinc/21/75/50/569217550.db2.gz	XLEUKBNPHDNRMD-UHFFFAOYSA-N	0	0	432.589	6.977	50	30		IKEARN
CCc1c(C#N)c(SCC(=O)c2ccc(Cl)cc2)nc(C)c1C(=O)Nc1ccccc1	ZINC000002271485	569217592	/nfs/dbraw/zinc/21/75/92/569217592.db2.gz	XZGVRYXEDPAFSA-UHFFFAOYSA-N	0	0	449.963	5.705	50	30		IKEARN
O=C(NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1cccc(Cl)c1	ZINC000002271484	569217676	/nfs/dbraw/zinc/21/76/76/569217676.db2.gz	QVNHQPDINOURHE-UHFFFAOYSA-N	0	0	449.153	5.795	50	30		IKEARN
C=CCn1c(SCCCCCCC)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3	ZINC000002272637	569217753	/nfs/dbraw/zinc/21/77/53/569217753.db2.gz	MKOOJJOTJFTPDL-QGZVFWFLSA-N	0	0	432.699	6.858	50	30		IKEARN
Cc1ccc(F)cc1NC(=O)NC(Oc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000002277215	569217849	/nfs/dbraw/zinc/21/78/49/569217849.db2.gz	JBDKOEHYXSOMOL-UHFFFAOYSA-N	0	0	428.279	5.295	50	30		IKEARN
CCOc1ccc(N(/C=C2\Sc3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1	ZINC000002280080	569217991	/nfs/dbraw/zinc/21/79/91/569217991.db2.gz	OVPWZDQFPBJOOV-JCMHNJIXSA-N	0	0	435.932	6.216	50	30		IKEARN
Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2sc3c(c2C#N)CCCC3)cc1	ZINC000027520263	569218208	/nfs/dbraw/zinc/21/82/08/569218208.db2.gz	OEIXTSTWTPXSTC-GNVQSUKOSA-N	0	0	439.540	6.038	50	30		IKEARN
N#Cc1c2ccccc2nc2c1-c1c(OC(=O)c3c(Cl)cccc3Cl)ccn1CC2	ZINC000035615972	569257716	/nfs/dbraw/zinc/25/77/16/569257716.db2.gz	UHQRTOCQWASHFB-UHFFFAOYSA-N	0	0	434.282	5.657	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(O)cc1	ZINC000138166337	569262889	/nfs/dbraw/zinc/26/28/89/569262889.db2.gz	QHSIPLRFUZZWRP-BLRRAGTOSA-N	0	0	431.532	5.096	50	30		IKEARN
N#Cc1c2nc3ccccc3nc2n(CCc2ccccc2)c1NC(=O)/C=C/c1ccccc1	ZINC000002286521	569262993	/nfs/dbraw/zinc/26/29/93/569262993.db2.gz	MMMFSHDBUXDRHK-FOCLMDBBSA-N	0	0	443.510	5.351	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000257347671	569263110	/nfs/dbraw/zinc/26/31/10/569263110.db2.gz	PMBSWZWCNKVWLV-QSCSCSHRSA-N	0	0	442.684	7.139	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC(=O)[C@@]12C	ZINC000257347876	569263225	/nfs/dbraw/zinc/26/32/25/569263225.db2.gz	XRLBQELEYBVDHJ-WXIYRBSGSA-N	0	0	444.612	5.265	50	30		IKEARN
N#Cc1c2nc3ccccc3nc2n(C2CCCCC2)c1NC(=O)c1ccccc1Cl	ZINC000002286740	569263986	/nfs/dbraw/zinc/26/39/86/569263986.db2.gz	GHKWOQGIXGNYCA-UHFFFAOYSA-N	0	0	429.911	5.867	50	30		IKEARN
CCCCCCCSc1nnc2n1c1sc3c(c1c(=O)n2C)CC[C@@H](C(C)(C)C)C3	ZINC000002294993	569268128	/nfs/dbraw/zinc/26/81/28/569268128.db2.gz	PVAUJKCPEHMIQR-OAHLLOKOSA-N	0	0	446.686	5.856	50	30		IKEARN
CCOCCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccccc1	ZINC000252594364	569271380	/nfs/dbraw/zinc/27/13/80/569271380.db2.gz	BRYNBLNOQPNQEA-DMEHKQLVSA-N	0	0	436.508	5.726	50	30		IKEARN
O=C(c1cc(F)ccc1OCc1ccccc1)[C@@H]1O[C@@H]1c1cc(Cl)cc2c1OCOC2	ZINC000002306125	569271652	/nfs/dbraw/zinc/27/16/52/569271652.db2.gz	AJJLZQJXFPNRAY-RPWUZVMVSA-N	0	0	440.854	5.247	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCC(=O)c1ccccc1)sc1c2CCc2ccccc2-1	ZINC000002305043	569271700	/nfs/dbraw/zinc/27/17/00/569271700.db2.gz	PHNPOUKGXRPKEW-UHFFFAOYSA-N	0	0	444.581	5.385	50	30		IKEARN
C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3	ZINC000002316340	569272432	/nfs/dbraw/zinc/27/24/32/569272432.db2.gz	KCGARPAXCBIISG-UHFFFAOYSA-N	0	0	433.396	5.245	50	30		IKEARN
N#Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2	ZINC000002318200	569272557	/nfs/dbraw/zinc/27/25/57/569272557.db2.gz	DNQUZDZOCIEGDV-UHFFFAOYSA-N	0	0	446.022	5.884	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccnn1C1CCCC1)C2=O	ZINC000253531310	569273010	/nfs/dbraw/zinc/27/30/10/569273010.db2.gz	NDZYXAXWOZOQAQ-ZYNKDDGTSA-N	0	0	434.624	5.884	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000027570839	569273540	/nfs/dbraw/zinc/27/35/40/569273540.db2.gz	VDQNIUKAYFRQEO-DEDYPNTBSA-N	0	0	437.854	5.616	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]21C	ZINC000254385783	569273790	/nfs/dbraw/zinc/27/37/90/569273790.db2.gz	CYPQELKXBYBDOE-LIJQOQRPSA-N	0	0	446.628	5.154	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@]21C	ZINC000254385775	569273825	/nfs/dbraw/zinc/27/38/25/569273825.db2.gz	CYPQELKXBYBDOE-FJYPBRCGSA-N	0	0	446.628	5.154	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@H]3O[C@H]3[C@@]21C	ZINC000254385797	569273831	/nfs/dbraw/zinc/27/38/31/569273831.db2.gz	CYPQELKXBYBDOE-XVVYIGRDSA-N	0	0	446.628	5.154	50	30		IKEARN
C=CCNC(=S)c1c(-c2ccccc2)c2c3n1cc(-c1ccc(C)cc1)n3CCCC2	ZINC000002322260	569274235	/nfs/dbraw/zinc/27/42/35/569274235.db2.gz	ROVPCCYRHBNWDM-UHFFFAOYSA-N	0	0	425.601	6.171	50	30		IKEARN
CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCC2)N1c1cccc(C(F)(F)F)c1	ZINC000002330518	569274568	/nfs/dbraw/zinc/27/45/68/569274568.db2.gz	LHRLYJAIXOCCJQ-OOAXWGSJSA-N	0	0	431.527	6.904	50	30		IKEARN
CCC(=O)Oc1oc(-c2ccccc2)nc1/C=N/c1ccc(I)cc1	ZINC000002336261	569274786	/nfs/dbraw/zinc/27/47/86/569274786.db2.gz	CNCCXDOZKQIWSU-CIAFOILYSA-N	0	0	446.244	5.012	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc21	ZINC000002343525	569275324	/nfs/dbraw/zinc/27/53/24/569275324.db2.gz	CCRDGGNQCAVCKV-STBIYBPSSA-N	0	0	442.567	5.058	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C	ZINC000257347751	569280068	/nfs/dbraw/zinc/28/00/68/569280068.db2.gz	SUISKBUAOOSHAW-PKVQVSCOSA-N	0	0	444.612	5.265	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]2O)cc1	ZINC000257348104	569280090	/nfs/dbraw/zinc/28/00/90/569280090.db2.gz	BKOGUJNRCSWUNA-ZWXODBCLSA-N	0	0	446.653	5.473	50	30		IKEARN
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2	ZINC000257348117	569280173	/nfs/dbraw/zinc/28/01/73/569280173.db2.gz	BNXIOYCVQJVXLJ-JDZMTYJOSA-N	0	0	434.617	6.332	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348492	569280192	/nfs/dbraw/zinc/28/01/92/569280192.db2.gz	GCRIWPLHBVKSPY-IJEDQFSISA-N	0	0	444.612	5.265	50	30		IKEARN
CC(=O)O[C@@H]1C[C@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@@H]12	ZINC000257348677	569280256	/nfs/dbraw/zinc/28/02/56/569280256.db2.gz	HXUGNDVVHVLCAY-VWWUWDCMSA-N	0	0	442.684	7.139	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@@]21C	ZINC000257348657	569280284	/nfs/dbraw/zinc/28/02/84/569280284.db2.gz	HVEXIRSOIACQFA-LKLDDISHSA-N	0	0	430.677	7.378	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]23)cc1	ZINC000257350145	569280535	/nfs/dbraw/zinc/28/05/35/569280535.db2.gz	VBLKGSKRRMCRKY-BHMXKCEWSA-N	0	0	444.637	5.681	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1	ZINC000257350204	569280577	/nfs/dbraw/zinc/28/05/77/569280577.db2.gz	VOPZSPZAIPUPAF-NLIWDHKGSA-N	0	0	444.637	5.681	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000257350155	569280579	/nfs/dbraw/zinc/28/05/79/569280579.db2.gz	VEEBKUQFPONGGR-TZGMUMITSA-N	0	0	444.700	7.171	50	30		IKEARN
CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@@H]4[C@]3(C)C[C@H]1O2	ZINC000257350328	569280592	/nfs/dbraw/zinc/28/05/92/569280592.db2.gz	WJIXKJVODIQPNM-MIPFYYDASA-N	0	0	444.700	7.376	50	30		IKEARN
CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@@H]3CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1	ZINC000257350341	569280630	/nfs/dbraw/zinc/28/06/30/569280630.db2.gz	WKPPTKDUKHFXEE-YQIUZUFSSA-N	0	0	428.701	7.276	50	30		IKEARN
C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@]1(O)C1=CCCC[C@H]1[Si](C)(C)c1ccccc1)C2(C)C	ZINC000257355461	569280754	/nfs/dbraw/zinc/28/07/54/569280754.db2.gz	AUXKMQHVEKOAFZ-IHSWJCKASA-N	0	0	440.700	5.425	50	30		IKEARN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)(C)O)CC[C@H]23)C[C@H](O)C[C@H]1O	ZINC000257355245	569280792	/nfs/dbraw/zinc/28/07/92/569280792.db2.gz	ZGLHBRQAEXKACO-GTYYVJRHSA-N	0	0	428.657	5.727	50	30		IKEARN
C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@H]3C(=O)CC[C@]3(CC[C@H]2C)CC1=O	ZINC000257356409	569280854	/nfs/dbraw/zinc/28/08/54/569280854.db2.gz	HVPFVUHFUULZFU-KGRMKBBGSA-N	0	0	434.693	5.641	50	30		IKEARN
CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C	ZINC000257357203	569280879	/nfs/dbraw/zinc/28/08/79/569280879.db2.gz	MREOZLCREPXSCQ-MKFFEXNQSA-N	0	0	429.604	5.407	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257358570	569280916	/nfs/dbraw/zinc/28/09/16/569280916.db2.gz	VEEBKUQFPONGGR-LIENWKSCSA-N	0	0	444.700	7.171	50	30		IKEARN
COc1cccc(/C=N/C[C@]2(O)CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O	ZINC000253501622	569283602	/nfs/dbraw/zinc/28/36/02/569283602.db2.gz	PFLCXOYUUHWAGR-AZQOAERPSA-N	0	0	439.640	5.984	50	30	biogenic	IKEARN
C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]21C	ZINC000253531728	569283964	/nfs/dbraw/zinc/28/39/64/569283964.db2.gz	BZDQWOZFIUXHLF-QJSCDEBDSA-N	0	0	434.576	5.578	50	30		IKEARN
C=CCc1ccccc1OCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O	ZINC000002352770	569284293	/nfs/dbraw/zinc/28/42/93/569284293.db2.gz	GRBSASOSARPFFI-UHFFFAOYSA-N	0	0	440.543	5.660	50	30		IKEARN
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(Cl)cc3F)n2)c1	ZINC000000662160	569284892	/nfs/dbraw/zinc/28/48/92/569284892.db2.gz	TUCPXODRVCCRDS-UHFFFAOYSA-N	0	0	427.888	5.152	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCCCC4)c3ccccc3n2)o1	ZINC000000672950	569284903	/nfs/dbraw/zinc/28/49/03/569284903.db2.gz	BWMMRJMJADZXFA-UHFFFAOYSA-N	0	0	441.556	6.648	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1	ZINC000000704882	569285084	/nfs/dbraw/zinc/28/50/84/569285084.db2.gz	XGMRWSODFXKGFI-UHFFFAOYSA-N	0	0	433.480	5.740	50	30		IKEARN
CCN1c2ccc(C(=O)OCCC(F)(F)F)cc2N(CC)/C1=C\C=Nc1ccccc1	ZINC000334157050	569285654	/nfs/dbraw/zinc/28/56/54/569285654.db2.gz	QFKDXSSZHQWLSX-KHECYXNTSA-N	0	0	431.458	5.706	50	30		IKEARN
CC(C)(C)c1cc([C@H]2c3cc4c(cc3NC3=C2C(=O)CCC3)OCO4)cc(C(C)(C)C)c1O	ZINC000018200340	569287954	/nfs/dbraw/zinc/28/79/54/569287954.db2.gz	AABBCWMDIMVUNO-DEOSSOPVSA-N	0	0	447.575	6.280	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc21	ZINC000002371550	569289009	/nfs/dbraw/zinc/28/90/09/569289009.db2.gz	CLCSBMKBJABRHC-UHFFFAOYSA-N	0	0	446.551	5.682	50	30		IKEARN
C#CCOc1ccc(-c2nnc(Nc3cccc(Br)c3)c3ccccc32)cc1	ZINC000002371374	569289021	/nfs/dbraw/zinc/28/90/21/569289021.db2.gz	UZICIOLXLKEXNV-UHFFFAOYSA-N	0	0	430.305	5.815	50	30		IKEARN
Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)cc1	ZINC000002375871	569289305	/nfs/dbraw/zinc/28/93/05/569289305.db2.gz	SZTFCTDUYIXVES-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
C=CCSc1nnc2n1c1c(c(=O)n2Cc2ccccc2)[C@](C)(CC)Cc2ccccc2-1	ZINC000002375515	569289322	/nfs/dbraw/zinc/28/93/22/569289322.db2.gz	QYMZBLJVEQHERN-AREMUKBSSA-N	0	0	442.588	5.108	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)c(C)c1	ZINC000008427318	569289657	/nfs/dbraw/zinc/28/96/57/569289657.db2.gz	IXGPQHYEMXSDJS-UHFFFAOYSA-N	0	0	432.492	6.292	50	30		IKEARN
CC(C)(C)c1ccc(CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1	ZINC000008443116	569289762	/nfs/dbraw/zinc/28/97/62/569289762.db2.gz	VGTNPJQWHWWDCH-UHFFFAOYSA-N	0	0	446.666	8.000	50	30		IKEARN
COc1cccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC[C@H](C(C)(C)C)C3)c1	ZINC000008448640	569289786	/nfs/dbraw/zinc/28/97/86/569289786.db2.gz	LFAUMQUEKOQCRD-SFHVURJKSA-N	0	0	448.657	7.134	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCC(=O)c1ccccc1	ZINC000008446002	569289795	/nfs/dbraw/zinc/28/97/95/569289795.db2.gz	LKXLLDUAGSWYSV-UHFFFAOYSA-N	0	0	440.955	6.916	50	30		IKEARN
CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1	ZINC000008446190	569289816	/nfs/dbraw/zinc/28/98/16/569289816.db2.gz	RYGBANNBHNWRMH-UHFFFAOYSA-N	0	0	448.573	5.048	50	30		IKEARN
Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1	ZINC000008441070	569289818	/nfs/dbraw/zinc/28/98/18/569289818.db2.gz	QXXILLMRHBKSDT-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)cc1	ZINC000008448425	569289821	/nfs/dbraw/zinc/28/98/21/569289821.db2.gz	KNOAAJJUJOCXKS-UHFFFAOYSA-N	0	0	438.527	6.710	50	30		IKEARN
Cc1cc(C)n(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)n1	ZINC000008448625	569289823	/nfs/dbraw/zinc/28/98/23/569289823.db2.gz	SASNLKIGCIYPKU-UHFFFAOYSA-N	0	0	442.519	5.672	50	30		IKEARN
N#Cc1c(OCc2ccccc2Cl)nc2c(c1-c1cccs1)CCc1ccccc1-2	ZINC000008450697	569289902	/nfs/dbraw/zinc/28/99/02/569289902.db2.gz	JZYFEWRIGIIKBR-UHFFFAOYSA-N	0	0	428.944	6.680	50	30		IKEARN
N#Cc1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC000008456815	569289933	/nfs/dbraw/zinc/28/99/33/569289933.db2.gz	VJJGTHMEMIXUTR-UHFFFAOYSA-N	0	0	437.392	6.383	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12	ZINC000002379997	569290015	/nfs/dbraw/zinc/29/00/15/569290015.db2.gz	MBPHMDLVKJPQNR-UHFFFAOYSA-N	0	0	443.595	5.980	50	30		IKEARN
COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(F)cc3)nc3c2CCCC3)cc1	ZINC000008742107	569290178	/nfs/dbraw/zinc/29/01/78/569290178.db2.gz	YGXRVTFONVGLDQ-UHFFFAOYSA-N	0	0	432.520	5.622	50	30		IKEARN
CCOC(=O)CSc1nc2c(c(-c3cccs3)c1C#N)CC/C2=C\c1cccs1	ZINC000008766649	569290340	/nfs/dbraw/zinc/29/03/40/569290340.db2.gz	GRTOHCMYOMUHMP-SDNWHVSQSA-N	0	0	438.599	5.885	50	30		IKEARN
O=C(C/C=N/OCc1ccccc1Br)c1cnc(-c2ccc(Cl)cc2)s1	ZINC000008857080	569291401	/nfs/dbraw/zinc/29/14/01/569291401.db2.gz	GQZYIUVIFBOKQK-AUEPDCJTSA-N	0	0	449.757	6.001	50	30		IKEARN
N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccc(Cl)cc2)cc1C(F)(F)F	ZINC000008857312	569291473	/nfs/dbraw/zinc/29/14/73/569291473.db2.gz	SNBVDABYPYIOAQ-UHFFFAOYSA-N	0	0	425.262	7.097	50	30		IKEARN
N#Cc1c(Sc2ccc(Br)cc2)nc(-c2ccccc2)cc1C(F)(F)F	ZINC000008857132	569291490	/nfs/dbraw/zinc/29/14/90/569291490.db2.gz	LXHJNCICEPTGQI-UHFFFAOYSA-N	0	0	435.268	6.553	50	30		IKEARN
N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1ccc(Cl)c(Cl)c1	ZINC000008857399	569291502	/nfs/dbraw/zinc/29/15/02/569291502.db2.gz	IDOPPPOUAOVYIU-UHFFFAOYSA-N	0	0	425.262	7.097	50	30		IKEARN
Fc1ccc(CO/N=C/c2cc3ccccc3nc2SCc2ccc(Cl)cc2)cc1	ZINC000008873131	569291635	/nfs/dbraw/zinc/29/16/35/569291635.db2.gz	CGMRRCHRLXHWSU-MZJWZYIUSA-N	0	0	436.939	6.870	50	30		IKEARN
Cc1ccc(S(=O)(=O)c2c(C)cc(-c3ccccc3)nc2Oc2ccc(C#N)cc2)cc1	ZINC000008873857	569291835	/nfs/dbraw/zinc/29/18/35/569291835.db2.gz	OFEWYNCWUSGJJQ-UHFFFAOYSA-N	0	0	440.524	5.862	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008888202	569291893	/nfs/dbraw/zinc/29/18/93/569291893.db2.gz	HYENONJVQALLET-UXHOKJDVSA-N	0	0	426.343	6.727	50	30		IKEARN
N#Cc1c(-c2cccc(C(F)(F)F)c2)ccnc1SCc1cccc(C(F)(F)F)c1	ZINC000008885116	569291896	/nfs/dbraw/zinc/29/18/96/569291896.db2.gz	FTVREKKWVCEICX-UHFFFAOYSA-N	0	0	438.396	6.950	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc([N+](=O)[O-])cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888197	569291982	/nfs/dbraw/zinc/29/19/82/569291982.db2.gz	PVCQIYANENDXBU-KOYYFNRMSA-N	0	0	436.895	5.981	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc21	ZINC000002384076	569293982	/nfs/dbraw/zinc/29/39/82/569293982.db2.gz	GADIFYAALANNRB-UHFFFAOYSA-N	0	0	429.568	5.110	50	30		IKEARN
CCOC(=O)c1sc2nc(-c3ccc(C#N)cc3)c(NCc3cccc(C)c3)n2c1C	ZINC000065315830	569294213	/nfs/dbraw/zinc/29/42/13/569294213.db2.gz	TVFONCGRDAETMH-UHFFFAOYSA-N	0	0	430.533	5.340	50	30		IKEARN
N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000009226940	569294533	/nfs/dbraw/zinc/29/45/33/569294533.db2.gz	MDBQULVXILALOA-OAQYLSRUSA-N	0	0	447.494	5.477	50	30		IKEARN
Cc1ccccc1OCc1nc(C#N)c(N2CCC(c3nc4ccccc4s3)CC2)o1	ZINC000027742883	569295459	/nfs/dbraw/zinc/29/54/59/569295459.db2.gz	VIHDWQMOWHUCSG-UHFFFAOYSA-N	0	0	430.533	5.427	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1	ZINC000009489949	569296736	/nfs/dbraw/zinc/29/67/36/569296736.db2.gz	FUJWULVYCABEQW-FUHWJXTLSA-N	0	0	445.832	5.321	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(-n2cnc3ccccc32)c1Cc1ccc(Cl)cc1	ZINC000009507578	569296978	/nfs/dbraw/zinc/29/69/78/569296978.db2.gz	GPJLVTCRANENRU-UHFFFAOYSA-N	0	0	447.929	6.251	50	30		IKEARN
Cc1ccsc1/C=C1\Oc2cc(OC(=O)c3ccccc3Br)ccc2C1=O	ZINC000002393103	569297968	/nfs/dbraw/zinc/29/79/68/569297968.db2.gz	ZLUAQRIXKZVWQA-WQRHYEAKSA-N	0	0	441.302	5.654	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc21	ZINC000002393533	569298074	/nfs/dbraw/zinc/29/80/74/569298074.db2.gz	LJRKCTDMZOMXGN-UHFFFAOYSA-N	0	0	445.567	5.173	50	30		IKEARN
CCCCC1CCC(c2nc(C#N)c(NC[C@@H](c3cccs3)N3CCOCC3)o2)CC1	ZINC000027794214	569299390	/nfs/dbraw/zinc/29/93/90/569299390.db2.gz	LCHRUEYCJUTOMK-GRERDSQWSA-N	0	0	442.629	5.557	50	30		IKEARN
COc1ccc(OC)c(/C=C2\Oc3cc(OC(=O)c4ccc(Cl)cc4)ccc3C2=O)c1	ZINC000002401311	569299649	/nfs/dbraw/zinc/29/96/49/569299649.db2.gz	VGOSIADERZWOQI-UUYOSTAYSA-N	0	0	436.847	5.193	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)c1	ZINC000002403117	569299780	/nfs/dbraw/zinc/29/97/80/569299780.db2.gz	JYEZQAIALKNHMA-OAQYLSRUSA-N	0	0	448.862	5.057	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc21	ZINC000002403947	569299838	/nfs/dbraw/zinc/29/98/38/569299838.db2.gz	BOMNWZVFMXWIPH-UHFFFAOYSA-N	0	0	449.986	5.569	50	30		IKEARN
CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2ccccc2C)c1=O	ZINC000002406797	569300253	/nfs/dbraw/zinc/30/02/53/569300253.db2.gz	BNVXKJJPSNQWLM-LQKURTRISA-N	0	0	438.535	5.065	50	30		IKEARN
Cc1ccccc1-c1nc2c3c(ncn2n1)OC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1	ZINC000002413262	569301094	/nfs/dbraw/zinc/30/10/94/569301094.db2.gz	LLAAQIOQSCJUBY-OAQYLSRUSA-N	0	0	436.515	5.267	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(F)cc2)c1=O	ZINC000002416932	569301490	/nfs/dbraw/zinc/30/14/90/569301490.db2.gz	SUVYYFFPZRTPIB-UHFFFAOYSA-N	0	0	429.499	5.393	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c(OC)c1OC	ZINC000002417368	569301523	/nfs/dbraw/zinc/30/15/23/569301523.db2.gz	HPGLSDJQVRZFIM-UUYOSTAYSA-N	0	0	436.435	5.047	50	30		IKEARN
Cc1cccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@@H]4c2ccccc2)c1	ZINC000002417598	569301620	/nfs/dbraw/zinc/30/16/20/569301620.db2.gz	ZRRWCRFZUFIQIJ-NRFANRHFSA-N	0	0	436.515	5.267	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccccc2Cl)c2nc3ccccc3nc21	ZINC000002422142	569302150	/nfs/dbraw/zinc/30/21/50/569302150.db2.gz	ZMHXVIADGQALEK-UHFFFAOYSA-N	0	0	435.959	5.510	50	30		IKEARN
COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1	ZINC000080324783	569302970	/nfs/dbraw/zinc/30/29/70/569302970.db2.gz	DOFKCSOVVDYOFQ-UPVQGACJSA-N	0	0	446.348	5.552	50	30		IKEARN
COc1ccc([C@H]2CC(c3cccc(Br)c3)=N[C@@H](c3ccc(C#N)cc3)N2)cc1	ZINC000080324787	569302998	/nfs/dbraw/zinc/30/29/98/569302998.db2.gz	DOFKCSOVVDYOFQ-VWNXMTODSA-N	0	0	446.348	5.552	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2cc(C)ccc2OC(=O)c2ccccc2OC)cc1OC	ZINC000011867663	569303119	/nfs/dbraw/zinc/30/31/19/569303119.db2.gz	XBVNMIICLWMPFS-ZRDIBKRKSA-N	0	0	432.472	5.136	50	30	biogenic	IKEARN
COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Cl)c1)C2=O	ZINC000011869622	569303129	/nfs/dbraw/zinc/30/31/29/569303129.db2.gz	IYWSSMMBWIKISM-MTJSOVHGSA-N	0	0	436.847	5.193	50	30		IKEARN
O=C1c2ccc(OCc3ccc(F)cc3)cc2O/C1=C\c1ccccc1Br	ZINC000011869777	569303130	/nfs/dbraw/zinc/30/31/30/569303130.db2.gz	QSEUVMXYPAVLDG-NHDPSOOVSA-N	0	0	425.253	5.783	50	30		IKEARN
Cc1ccsc1/C=C1\Oc2cc(OCc3ccc(Br)cc3)ccc2C1=O	ZINC000002433687	569303403	/nfs/dbraw/zinc/30/34/03/569303403.db2.gz	OLHOLJWABGMOOB-ODLFYWEKSA-N	0	0	427.319	6.014	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000002438140	569303867	/nfs/dbraw/zinc/30/38/67/569303867.db2.gz	QFATXRXRKQXJBL-UHFFFAOYSA-N	0	0	430.552	5.651	50	30		IKEARN
O=C1ON(c2ccccc2)[C@H](c2cccc3ccccc32)N1c1ccc(Cl)c(Cl)c1	ZINC000002442075	569304251	/nfs/dbraw/zinc/30/42/51/569304251.db2.gz	GZCATTISNWQGAU-HSZRJFAPSA-N	0	0	435.310	7.224	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc21	ZINC000002442174	569304276	/nfs/dbraw/zinc/30/42/76/569304276.db2.gz	VJGCUXAZTIJLFZ-UHFFFAOYSA-N	0	0	449.986	5.818	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000012865449	569305069	/nfs/dbraw/zinc/30/50/69/569305069.db2.gz	IBHLVHLIYYDTRV-ULTXKWAWSA-N	0	0	439.728	8.494	50	30	biogenic	IKEARN
COc1cccc(C(=O)Nc2ccc([S@@](=O)c3cccc(C(F)(F)F)c3)c(C#N)c2)c1	ZINC000012952871	569305164	/nfs/dbraw/zinc/30/51/64/569305164.db2.gz	KHXADZLRNWOGED-WJOKGBTCSA-N	0	0	444.434	5.005	50	30		IKEARN
COc1cccc(/C=C/c2nc3c(c(-c4ccccc4F)c2C#N)C(=O)c2ccccc2-3)c1	ZINC000012952839	569305216	/nfs/dbraw/zinc/30/52/16/569305216.db2.gz	VMGHROQOQSBDBU-BUHFOSPRSA-N	0	0	432.454	6.150	50	30		IKEARN
CCCc1cc(SCC(=O)c2ccc(OC)c(OC)c2)n2c3ccccc3nc2c1C#N	ZINC000002452886	569305323	/nfs/dbraw/zinc/30/53/23/569305323.db2.gz	CQPZUFJVOFLXEC-UHFFFAOYSA-N	0	0	445.544	5.304	50	30		IKEARN
C[C@H](Oc1ccc(C#N)cc1)C(=O)N(c1nc(-c2ccc(F)cc2)cs1)c1ccccc1	ZINC000013014241	569306315	/nfs/dbraw/zinc/30/63/15/569306315.db2.gz	MWNONHQLNVGGRZ-KRWDZBQOSA-N	0	0	443.503	5.953	50	30		IKEARN
N#Cc1ccccc1OCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1	ZINC000013018121	569307142	/nfs/dbraw/zinc/30/71/42/569307142.db2.gz	YNIKJMGORJMPEE-UHFFFAOYSA-N	0	0	443.503	5.433	50	30		IKEARN
N#Cc1ccc(OCC(=O)NC[C@@H](c2c[nH]c3ccccc32)c2ccccc2Cl)cc1	ZINC000013096968	569309299	/nfs/dbraw/zinc/30/92/99/569309299.db2.gz	FPWMRBURXTUZJF-OAQYLSRUSA-N	0	0	429.907	5.020	50	30		IKEARN
Cc1ccc2sc(N(Cc3ccccc3)C(=O)COc3ccc(C#N)cc3)nc2c1C	ZINC000013116990	569310112	/nfs/dbraw/zinc/31/01/12/569310112.db2.gz	AJJIPISRRPHWHW-UHFFFAOYSA-N	0	0	427.529	5.397	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)Cc2ccccc2N2CCCC2)c1C#N	ZINC000013126880	569311005	/nfs/dbraw/zinc/31/10/05/569311005.db2.gz	QYFOMVZYZXBIMZ-UHFFFAOYSA-N	0	0	447.627	5.153	50	30		IKEARN
Cc1cccc(-c2cc(/C=C/c3ccc4c(c3)OCCO4)c(C#N)c3nc4ccccc4n32)c1	ZINC000013139019	569311547	/nfs/dbraw/zinc/31/15/47/569311547.db2.gz	DTAVOZYLINOMNV-PKNBQFBNSA-N	0	0	443.506	6.276	50	30		IKEARN
Cc1cc(SCC(=O)Nc2cccc(Cl)c2Cl)n2c3ccccc3nc2c1C#N	ZINC000013148735	569312151	/nfs/dbraw/zinc/31/21/51/569312151.db2.gz	BGLKIZSAVLPRSI-UHFFFAOYSA-N	0	0	441.343	5.705	50	30		IKEARN
Cc1ccc(/N=C2/c3ccccc3N(CN3CC[C@H](c4ccccc4)C3)C2=O)cc1Cl	ZINC000014943707	569316165	/nfs/dbraw/zinc/31/61/65/569316165.db2.gz	YJUSQGMRFGOKHB-QSPIDWHTSA-N	0	0	429.951	5.563	50	30		IKEARN
CCCCCc1c(-c2ccc(Cl)cc2)nc(N)c(C#N)c1-c1ccc(OC)c(OC)c1	ZINC000019095771	569316342	/nfs/dbraw/zinc/31/63/42/569316342.db2.gz	YQDJVRJXBPGLTH-UHFFFAOYSA-N	0	0	435.955	6.273	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019228589	569316558	/nfs/dbraw/zinc/31/65/58/569316558.db2.gz	IOGAFSFTYGVAMK-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
CC[C@](O)(CNC(=O)c1c(C)cccc1Br)c1ccc(Br)cc1	ZINC000328596516	569317984	/nfs/dbraw/zinc/31/79/84/569317984.db2.gz	YWHMYGPYLTXMDN-SFHVURJKSA-N	0	0	441.163	5.122	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2Cl)SC1=S	ZINC000013940392	569321733	/nfs/dbraw/zinc/32/17/33/569321733.db2.gz	UYMAFEQIEITCKE-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
CSc1nc(Nc2ccc(N3CCC(C)CC3)cc2)c(C#N)c(-c2ccc(C)cc2)n1	ZINC000019820703	569330012	/nfs/dbraw/zinc/33/00/12/569330012.db2.gz	UWDIFQBVGFSBRU-UHFFFAOYSA-N	0	0	429.593	6.026	50	30		IKEARN
COC(=O)c1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)cc1	ZINC000019820361	569330015	/nfs/dbraw/zinc/33/00/15/569330015.db2.gz	DKVFUKRJNHFYCZ-UHFFFAOYSA-N	0	0	432.549	5.565	50	30		IKEARN
N#Cc1c(Cl)nc(Cl)c(Cl)c1N(Cc1ccccc1)Cc1ccccc1Cl	ZINC000019831053	569330183	/nfs/dbraw/zinc/33/01/83/569330183.db2.gz	WQAQALIZGBRQGF-UHFFFAOYSA-N	0	0	437.157	6.774	50	30		IKEARN
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1CSc1ccc(Cl)cc1	ZINC000019841897	569330253	/nfs/dbraw/zinc/33/02/53/569330253.db2.gz	LUHCUJWPNKMMMO-UHFFFAOYSA-N	0	0	434.008	6.644	50	30		IKEARN
COc1ccc(Cc2cc(C(F)(F)F)c(C#N)c(SCc3cccnc3)n2)cc1OC	ZINC000019853601	569330396	/nfs/dbraw/zinc/33/03/96/569330396.db2.gz	SDFLBAMKCGSOKJ-UHFFFAOYSA-N	0	0	445.466	5.267	50	30		IKEARN
N#Cc1c(N[C@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2	ZINC000019881068	569331519	/nfs/dbraw/zinc/33/15/19/569331519.db2.gz	JGVNLFXVTHMFCW-QFIPXVFZSA-N	0	0	449.963	5.203	50	30		IKEARN
COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1COc1ccc(Cl)cc1	ZINC000019894078	569331629	/nfs/dbraw/zinc/33/16/29/569331629.db2.gz	VSDUCNSGSYJZTI-UHFFFAOYSA-N	0	0	426.925	5.730	50	30		IKEARN
CC(C)OC(=O)CC(=O)CSc1nc(-c2cccc(F)c2)cc(-c2ccccc2)c1C#N	ZINC000019898426	569331924	/nfs/dbraw/zinc/33/19/24/569331924.db2.gz	PSKLAYCPZQQFHQ-UHFFFAOYSA-N	0	0	448.519	5.429	50	30		IKEARN
C=CCc1cc(/C=C2/C(=N)N3C=CSC3=NC2=O)cc(OC)c1OCc1ccc(C)cc1	ZINC000020032281	569332512	/nfs/dbraw/zinc/33/25/12/569332512.db2.gz	WZBVRUNTIHVDRA-ZQCYNNBZSA-N	0	0	445.544	5.088	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(Cc2ccccc2Cl)CC1	ZINC000020057782	569332741	/nfs/dbraw/zinc/33/27/41/569332741.db2.gz	ZTIULDVWBODZKW-UHFFFAOYSA-N	0	0	443.982	5.206	50	30		IKEARN
C=C(C/C=C(\C)CCC=C(C)C)C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C	ZINC000020111724	569334620	/nfs/dbraw/zinc/33/46/20/569334620.db2.gz	XHSRFCRGSWRBSP-VGPFOZRTSA-N	0	0	425.569	5.551	50	30	biogenic	IKEARN
CC(C)(C)C1C/C(=C\c2c(F)cccc2Cl)C(=O)/C(=C/c2c(F)cccc2Cl)C1	ZINC000020115624	569335018	/nfs/dbraw/zinc/33/50/18/569335018.db2.gz	GJPNFLXGGBWMEJ-QUMQEAAQSA-N	0	0	435.341	7.764	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3ccc(C)c(C)c3)S2(=O)=O)c1	ZINC000020132845	569335397	/nfs/dbraw/zinc/33/53/97/569335397.db2.gz	RWSRVELJRXLNMF-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1	ZINC000020134466	569335695	/nfs/dbraw/zinc/33/56/95/569335695.db2.gz	YJBDEUABQBLSAD-LJQANCHMSA-N	0	0	437.609	5.487	50	30		IKEARN
Cc1ccc(CSc2nc3c(c(=O)[nH]2)[C@@H](C(C)C)C2=C(CC(C)(C)CC2=O)N3)c(C)c1	ZINC000020134470	569335722	/nfs/dbraw/zinc/33/57/22/569335722.db2.gz	YJBDEUABQBLSAD-IBGZPJMESA-N	0	0	437.609	5.487	50	30		IKEARN
COc1ccc([C@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020134797	569335773	/nfs/dbraw/zinc/33/57/73/569335773.db2.gz	GIHWLBZUBFIBJV-HXUWFJFHSA-N	0	0	444.491	5.194	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)ON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	ZINC000020218510	569356709	/nfs/dbraw/zinc/35/67/09/569356709.db2.gz	CVRZSNNXQBBPLZ-UHFFFAOYSA-N	0	0	447.244	5.612	50	30		IKEARN
N#Cc1ncn(-c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)c1C#N	ZINC000095945028	569375792	/nfs/dbraw/zinc/37/57/92/569375792.db2.gz	XYLANJIMNFUUFO-UHFFFAOYSA-N	0	0	448.964	5.055	50	30		IKEARN
CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccc(Cl)cc1	ZINC000096579890	569401510	/nfs/dbraw/zinc/40/15/10/569401510.db2.gz	OTFAKJFWVGHUCT-CQSZACIVSA-N	0	0	448.766	5.110	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)cc1	ZINC000096767060	569402323	/nfs/dbraw/zinc/40/23/23/569402323.db2.gz	IESRTXRJDRIXBD-LUAWRHEFSA-N	0	0	438.321	5.442	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2C)cc1OC	ZINC000028052537	569406802	/nfs/dbraw/zinc/40/68/02/569406802.db2.gz	VHXXFYJDKOXMIE-MZNJEOGPSA-N	0	0	430.504	5.267	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)ccc1O	ZINC000028052481	569406819	/nfs/dbraw/zinc/40/68/19/569406819.db2.gz	KZEZWLRCMNIYKK-BXKMTCNYSA-N	0	0	446.503	5.054	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(F)cc2)cc1OC	ZINC000028052539	569406829	/nfs/dbraw/zinc/40/68/29/569406829.db2.gz	IOCYXWBLZAIPPU-HJPURHCSSA-N	0	0	434.467	5.098	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052164	569406833	/nfs/dbraw/zinc/40/68/33/569406833.db2.gz	AHLJQHUISPHXIK-HXOBKFHXSA-N	0	0	434.923	5.993	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2	ZINC000028052422	569406848	/nfs/dbraw/zinc/40/68/48/569406848.db2.gz	YMVQRNONNZPEBD-MZNJEOGPSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052170	569406861	/nfs/dbraw/zinc/40/68/61/569406861.db2.gz	AHLJQHUISPHXIK-GAJHUEQPSA-N	0	0	434.923	5.993	50	30		IKEARN
c1ccc(/N=C(/N=c2\nc(-c3ccccc3)n(-c3ccccc3)s2)c2ccccc2)cc1	ZINC000028120247	569407904	/nfs/dbraw/zinc/40/79/04/569407904.db2.gz	MWOQGFNFLXDBTO-WSECFMCKSA-N	0	0	432.552	6.280	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(CC)cc3)c2c1	ZINC000028182402	569408595	/nfs/dbraw/zinc/40/85/95/569408595.db2.gz	PMRFLCBGGJWRLT-UHFFFAOYSA-N	0	0	441.527	6.878	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccccc3Cl)c2c1	ZINC000028182404	569408638	/nfs/dbraw/zinc/40/86/38/569408638.db2.gz	PDZNLGYRDURNRA-UHFFFAOYSA-N	0	0	447.918	6.969	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@@H]3C)C2=O)c2cc(OC)ccc21	ZINC000028182792	569408717	/nfs/dbraw/zinc/40/87/17/569408717.db2.gz	MMZUPYWJHZJXHG-GWGZVGKXSA-N	0	0	446.547	5.366	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCC(=O)OC(C)(C)C)c3C)C2=O)c2ccccc21	ZINC000028182630	569408788	/nfs/dbraw/zinc/40/87/88/569408788.db2.gz	FPSKOHSZTNPLJA-XKZIYDEJSA-N	0	0	433.504	5.306	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21	ZINC000028182840	569408963	/nfs/dbraw/zinc/40/89/63/569408963.db2.gz	NZJVEMLDYNICJQ-YFLRDDLESA-N	0	0	430.548	5.461	50	30		IKEARN
COc1ccc(-c2cc(-c3ccc(Br)cc3)c(C#N)c(N)c2C#N)cc1OC	ZINC000002581556	569410055	/nfs/dbraw/zinc/41/00/55/569410055.db2.gz	CPORRADJORVWCB-UHFFFAOYSA-N	0	0	434.293	5.126	50	30		IKEARN
CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(O)c(Cl)c2)C2=C1CC(C)(C)CC2=O	ZINC000002602898	569410150	/nfs/dbraw/zinc/41/01/50/569410150.db2.gz	RPJIHVNIMSZMPB-UHFFFAOYSA-N	0	0	427.972	5.751	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O	ZINC000002618968	569410651	/nfs/dbraw/zinc/41/06/51/569410651.db2.gz	CWUQHJVMHLIYPO-LBPRGKRZSA-N	0	0	434.348	5.009	50	30		IKEARN
C[C@@H]1C[C@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1	ZINC000215683157	569411978	/nfs/dbraw/zinc/41/19/78/569411978.db2.gz	ZSIQWMODTAAERP-BETUJISGSA-N	0	0	439.528	5.297	50	30		IKEARN
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)C1	ZINC000215683266	569411997	/nfs/dbraw/zinc/41/19/97/569411997.db2.gz	ZSIQWMODTAAERP-CHWSQXEVSA-N	0	0	439.528	5.297	50	30		IKEARN
O=C(CSc1ccccc1/N=C/c1cccnc1Cl)Nc1cccc2ccccc21	ZINC000215721497	569413525	/nfs/dbraw/zinc/41/35/25/569413525.db2.gz	MAHJEORWWGWMPD-JFLMPSFJSA-N	0	0	431.948	6.370	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ccccc1/N=C/c1cccnc1Cl	ZINC000215719560	569413569	/nfs/dbraw/zinc/41/35/69/569413569.db2.gz	PGTXYAHKAXNBKU-PBEVGHANSA-N	0	0	444.387	6.567	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1-c1ccc(Cl)cc1	ZINC000002644436	569414013	/nfs/dbraw/zinc/41/40/13/569414013.db2.gz	YNUKTMGDOYKOOC-UHFFFAOYSA-N	0	0	444.347	5.040	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2C1	ZINC000002728136	569418058	/nfs/dbraw/zinc/41/80/58/569418058.db2.gz	CVAAWKFNLNQBEO-GFCCVEGCSA-N	0	0	440.462	5.414	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(F)cccc3Cl)sc2C1	ZINC000002736816	569419075	/nfs/dbraw/zinc/41/90/75/569419075.db2.gz	PDUHGYQQRGTWGW-VNDWYCCKSA-N	0	0	430.976	6.605	50	30		IKEARN
CC(C)Cc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3c3ccc(Cl)cc3)c2C#N)cc1	ZINC000002739308	569419187	/nfs/dbraw/zinc/41/91/87/569419187.db2.gz	CLPDLIRHZNCABD-SFTDATJTSA-N	0	0	434.992	6.881	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc32)c1C#N	ZINC000002746105	569419809	/nfs/dbraw/zinc/41/98/09/569419809.db2.gz	UGMRGPNYNZMBEU-UHFFFAOYSA-N	0	0	431.948	6.612	50	30		IKEARN
N#Cc1c(N)n(-c2ccccc2)nc1-c1ccc(N(c2ccccc2)c2ccccc2)cc1	ZINC000002758898	569420277	/nfs/dbraw/zinc/42/02/77/569420277.db2.gz	OEJQFXVTZRYVNP-UHFFFAOYSA-N	0	0	427.511	6.463	50	30		IKEARN
Cc1sc(NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc32)c(C#N)c1C	ZINC000002758256	569420331	/nfs/dbraw/zinc/42/03/31/569420331.db2.gz	GVGVWHWKEWFRRQ-UHFFFAOYSA-N	0	0	439.584	7.002	50	30		IKEARN
CCOc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCC4)c3ccccc3n2)c1	ZINC000002769434	569420693	/nfs/dbraw/zinc/42/06/93/569420693.db2.gz	KQSRGWDCPIKGDT-UHFFFAOYSA-N	0	0	439.540	5.975	50	30		IKEARN
Cn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CCCCCCCCCC3)n1	ZINC000002779162	569421034	/nfs/dbraw/zinc/42/10/34/569421034.db2.gz	GRTNJKGMQCFYFX-UHFFFAOYSA-N	0	0	449.418	5.587	50	30		IKEARN
O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1	ZINC000002784327	569421295	/nfs/dbraw/zinc/42/12/95/569421295.db2.gz	WTKXJRCMPYACDY-UHFFFAOYSA-N	0	0	443.318	6.093	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F	ZINC000002792483	569421515	/nfs/dbraw/zinc/42/15/15/569421515.db2.gz	BDKOMLFURYDYAF-AWEZNQCLSA-N	0	0	448.535	6.023	50	30		IKEARN
CCOc1ccc(CC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC	ZINC000002792447	569421539	/nfs/dbraw/zinc/42/15/39/569421539.db2.gz	UBCZTMJKKKKYAV-QGZVFWFLSA-N	0	0	440.609	5.749	50	30		IKEARN
COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1cc(C)ccc1C	ZINC000002791600	569421780	/nfs/dbraw/zinc/42/17/80/569421780.db2.gz	JZUDKBAQVYPRLN-BHGWPJFGSA-N	0	0	432.496	5.024	50	30		IKEARN
N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2s1	ZINC000002836760	569423176	/nfs/dbraw/zinc/42/31/76/569423176.db2.gz	BPRPTQKSKSACMC-UHFFFAOYSA-N	0	0	446.513	5.621	50	30		IKEARN
CCCCCCCCNC(=O)c1sc2ncn(Cc3cccc(F)c3)c(=O)c2c1C	ZINC000002911172	569424818	/nfs/dbraw/zinc/42/48/18/569424818.db2.gz	DMMFBQQLASUYCM-UHFFFAOYSA-N	0	0	429.561	5.044	50	30		IKEARN
C=CCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2	ZINC000002912786	569424930	/nfs/dbraw/zinc/42/49/30/569424930.db2.gz	YDUQPCMHEUBTIQ-UHFFFAOYSA-N	0	0	434.948	5.567	50	30		IKEARN
CC(C)c1ccc([C@@H](NCC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1	ZINC000057270723	569430275	/nfs/dbraw/zinc/43/02/75/569430275.db2.gz	HNBJZBPADCUIAX-HSZRJFAPSA-N	0	0	435.618	5.611	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)SC1=S	ZINC000002965978	569433036	/nfs/dbraw/zinc/43/30/36/569433036.db2.gz	SDJHHVOKJHTZSI-WOJGMQOQSA-N	0	0	449.956	5.454	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)SC1=S	ZINC000002986495	569434365	/nfs/dbraw/zinc/43/43/65/569434365.db2.gz	HXDMYYUKHZJCCI-PDGQHHTCSA-N	0	0	446.391	5.415	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1	ZINC000003028553	569436476	/nfs/dbraw/zinc/43/64/76/569436476.db2.gz	KBJHQTUHWPVYBN-WSDLNYQXSA-N	0	0	443.868	5.858	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2	ZINC000230106317	569437518	/nfs/dbraw/zinc/43/75/18/569437518.db2.gz	RGXYSKFXYUNLBJ-TWKFVSLJSA-N	0	0	442.467	5.708	50	30		IKEARN
CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1cccc(Cl)c1)c2C	ZINC000003033479	569437903	/nfs/dbraw/zinc/43/79/03/569437903.db2.gz	DFEQLWBQZHFVDP-UHFFFAOYSA-N	0	0	426.992	5.681	50	30		IKEARN
CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1	ZINC000003041340	569438416	/nfs/dbraw/zinc/43/84/16/569438416.db2.gz	ABVDYVYYMYTLAK-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
Cc1ccc(C)c(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1	ZINC000003041589	569438449	/nfs/dbraw/zinc/43/84/49/569438449.db2.gz	WVNGFJYWQHJOMA-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2ccccc2Cl)C1=O	ZINC000003041854	569438483	/nfs/dbraw/zinc/43/84/83/569438483.db2.gz	IVYWKJCVAAUIMD-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
Cc1ccc(Cn2cccc2/C=N/NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1	ZINC000003048682	569438898	/nfs/dbraw/zinc/43/88/98/569438898.db2.gz	OWRXFAMGCNKZHU-OVVQPSECSA-N	0	0	440.572	5.958	50	30		IKEARN
Cn1nc(C(F)(F)F)c(COc2ccc(C#N)cc2)c1Oc1cccc(C(F)(F)F)c1	ZINC000003049207	569438927	/nfs/dbraw/zinc/43/89/27/569438927.db2.gz	ZFHBZMJGAOGFFG-UHFFFAOYSA-N	0	0	441.331	5.701	50	30		IKEARN
O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1ccc(Cl)c(Cl)c1	ZINC000003063831	569439650	/nfs/dbraw/zinc/43/96/50/569439650.db2.gz	PGPFQMGQQHDTEA-QLYXXIJNSA-N	0	0	445.733	6.115	50	30		IKEARN
CCCCC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2cccc(C(F)(F)F)c2)C1=O	ZINC000003064373	569439679	/nfs/dbraw/zinc/43/96/79/569439679.db2.gz	CPIBAZODPLDQCT-XHPQRKPJSA-N	0	0	438.833	5.343	50	30		IKEARN
CC(=O)Oc1c(Br)cc(/C=N/c2ccc(Cl)cc2)cc1Br	ZINC000003082666	569439948	/nfs/dbraw/zinc/43/99/48/569439948.db2.gz	ROJMMKPSSUBOJQ-UFWORHAWSA-N	0	0	431.511	5.541	50	30		IKEARN
COc1ccccc1/N=C/c1ccc(OC(=O)/C=C/c2ccc(Br)cc2)cc1	ZINC000003081530	569439949	/nfs/dbraw/zinc/43/99/49/569439949.db2.gz	KNARUIQLXBEJGB-FCMREFMGSA-N	0	0	436.305	5.827	50	30		IKEARN
COc1ccc([C@H]2CCCN2C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)cc1	ZINC000057589891	569439969	/nfs/dbraw/zinc/43/99/69/569439969.db2.gz	LHVPKWLJSJYRAH-RUZDIDTESA-N	0	0	427.504	5.515	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000230211266	569440133	/nfs/dbraw/zinc/44/01/33/569440133.db2.gz	NOASPRHBQUYARN-RBZQAINGSA-N	0	0	436.902	5.019	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000003100781	569440201	/nfs/dbraw/zinc/44/02/01/569440201.db2.gz	BLERJTVSKPHGNG-QFIPXVFZSA-N	0	0	438.524	5.075	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1	ZINC000003114038	569440406	/nfs/dbraw/zinc/44/04/06/569440406.db2.gz	PEYDLQDIJWYAJS-UVHMKAGCSA-N	0	0	433.294	7.411	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(C)c1Cl	ZINC000003113685	569440411	/nfs/dbraw/zinc/44/04/11/569440411.db2.gz	PKZPHXIRNWCPMR-CCVNUDIWSA-N	0	0	426.903	7.374	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@@H]3c2ccccc2)cc1	ZINC000003133481	569440717	/nfs/dbraw/zinc/44/07/17/569440717.db2.gz	CKXIMKVRRMPBQZ-LMTOTAIGSA-N	0	0	438.548	7.269	50	30		IKEARN
Cc1ccc(/C=C2\C(=O)c3c(cccc3Oc3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000003133437	569440726	/nfs/dbraw/zinc/44/07/26/569440726.db2.gz	ALEFMTZWRAUYNF-HPFVHPJRSA-N	0	0	436.938	7.853	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2sccc2C)[C@H]3c2ccccc2)cc1	ZINC000003133479	569440739	/nfs/dbraw/zinc/44/07/39/569440739.db2.gz	CKXIMKVRRMPBQZ-FGSNJIQSSA-N	0	0	438.548	7.269	50	30		IKEARN
N#Cc1c(NC(=O)c2ccccc2)n(C2CCCCC2)c(-c2ccccc2)c1-c1ccccc1	ZINC000003167681	569441091	/nfs/dbraw/zinc/44/10/91/569441091.db2.gz	VLEPGVHNQOSRTD-UHFFFAOYSA-N	0	0	445.566	7.451	50	30		IKEARN
NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1c1ccc(Oc2ccccc2)cc1	ZINC000003176700	569441255	/nfs/dbraw/zinc/44/12/55/569441255.db2.gz	KGUUUCAXUOTFBH-UHFFFAOYSA-N	0	0	425.513	5.319	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4ccc(C)cc4o3)c2)c1O	ZINC000003184587	569441377	/nfs/dbraw/zinc/44/13/77/569441377.db2.gz	QOEQRJXRNVLSOW-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)OC2=C(Sc3ccccc3[N+](=O)[O-])C(=O)CCC2)cc1	ZINC000003191369	569441495	/nfs/dbraw/zinc/44/14/95/569441495.db2.gz	HFQGCYLHKDEKNX-UHFFFAOYSA-N	0	0	425.506	5.806	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)OC(c1ccc(F)cc1)=N2	ZINC000003199361	569441586	/nfs/dbraw/zinc/44/15/86/569441586.db2.gz	GCMAUYHEFSOPME-UHFFFAOYSA-N	0	0	443.322	5.748	50	30		IKEARN
Cc1nc(S[C@@H]2CCCCC2=O)c(C#N)c(-c2cccs2)c1C(=O)Nc1ccccc1	ZINC000003211730	569441714	/nfs/dbraw/zinc/44/17/14/569441714.db2.gz	XCMYZNBHYABUBR-LJQANCHMSA-N	0	0	447.585	5.846	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1	ZINC000003244959	569442680	/nfs/dbraw/zinc/44/26/80/569442680.db2.gz	DSERIKSIZMCJCM-HHHXNRCGSA-N	0	0	449.531	6.490	50	30		IKEARN
COc1ccc(C(=O)C2=C3SC=C(c4ccc(Br)cc4)N3CC2)cc1OC	ZINC000003265838	569443394	/nfs/dbraw/zinc/44/33/94/569443394.db2.gz	RXYVNVZBKHWQAI-UHFFFAOYSA-N	0	0	444.350	5.312	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003284264	569443995	/nfs/dbraw/zinc/44/39/95/569443995.db2.gz	NUPBKMRCQIMIEI-UHFFFAOYSA-N	0	0	433.621	6.329	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C#N)c2C1	ZINC000003283810	569444030	/nfs/dbraw/zinc/44/40/30/569444030.db2.gz	CYAXPKGJAYAHEP-SFHVURJKSA-N	0	0	441.531	5.053	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3sccc3C#N)c2C1	ZINC000003290852	569444428	/nfs/dbraw/zinc/44/44/28/569444428.db2.gz	KDPQQYZPAZNJML-INIZCTEOSA-N	0	0	447.560	5.114	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)nnc1-c1ccncc1	ZINC000003304403	569445160	/nfs/dbraw/zinc/44/51/60/569445160.db2.gz	LUCGZBIRQNFUMC-UHFFFAOYSA-N	0	0	447.539	5.048	50	30		IKEARN
N#Cc1c(NC(=O)C2c3ccccc3Oc3ccccc32)oc(-c2ccco2)c1-c1ccco1	ZINC000003304797	569445184	/nfs/dbraw/zinc/44/51/84/569445184.db2.gz	IWEWOCCLCGTDNT-UHFFFAOYSA-N	0	0	448.434	6.548	50	30		IKEARN
Cc1ccc(-c2oc(NC(=O)[C@H](C)Oc3ccccc3)c(C#N)c2-c2ccc(C)cc2)cc1	ZINC000003307074	569445278	/nfs/dbraw/zinc/44/52/78/569445278.db2.gz	IWECEVKYRJSXQW-FQEVSTJZSA-N	0	0	436.511	6.508	50	30		IKEARN
N#CCCN(C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc21)c1ccccc1	ZINC000003314653	569445665	/nfs/dbraw/zinc/44/56/65/569445665.db2.gz	QQQCJCBDTGOEFH-UHFFFAOYSA-N	0	0	435.483	5.005	50	30		IKEARN
Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000003323497	569445970	/nfs/dbraw/zinc/44/59/70/569445970.db2.gz	BWSSZCYWHAYZLQ-UHFFFAOYSA-N	0	0	438.600	6.704	50	30		IKEARN
N#CCCSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000003330379	569446415	/nfs/dbraw/zinc/44/64/15/569446415.db2.gz	HBXUQERWHOYMLO-UHFFFAOYSA-N	0	0	443.281	6.266	50	30		IKEARN
N#Cc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c21	ZINC000003337178	569446727	/nfs/dbraw/zinc/44/67/27/569446727.db2.gz	MKKRIGYZHIHREC-UHFFFAOYSA-N	0	0	436.949	5.614	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)C(c3ccccc3)c3ccccc3)sc2C1	ZINC000003353607	569447534	/nfs/dbraw/zinc/44/75/34/569447534.db2.gz	IIPUGRXWMHIORJ-KRWDZBQOSA-N	0	0	444.556	5.058	50	30		IKEARN
N#Cc1ccc(C(=O)N(c2nc3ccccc3s2)c2ccc(SC(F)F)cc2)cc1	ZINC000003353708	569447556	/nfs/dbraw/zinc/44/75/56/569447556.db2.gz	VHSLJCUNWYRZOC-UHFFFAOYSA-N	0	0	437.496	6.461	50	30		IKEARN
C=CCn1c(COc2ccc(CC)cc2)nnc1SCc1c(Cl)cccc1Cl	ZINC000003367910	569448220	/nfs/dbraw/zinc/44/82/20/569448220.db2.gz	HZLLLEHYRBYAIJ-UHFFFAOYSA-N	0	0	434.392	6.205	50	30		IKEARN
Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccccc2Oc2ccccc2)c1	ZINC000003380019	569448789	/nfs/dbraw/zinc/44/87/89/569448789.db2.gz	WOURFGRCNFJRLC-UHFFFAOYSA-N	0	0	428.488	5.199	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccc(C)c1	ZINC000003411698	569450111	/nfs/dbraw/zinc/45/01/11/569450111.db2.gz	CCIDKQFDVNFGCW-UHFFFAOYSA-N	0	0	446.576	5.474	50	30		IKEARN
C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nc2scc(-c3ccc(C)cc3)c2c1=O	ZINC000003432866	569450905	/nfs/dbraw/zinc/45/09/05/569450905.db2.gz	YLQATRWYKPIGIG-UHFFFAOYSA-N	0	0	449.557	5.820	50	30		IKEARN
N#Cc1ccc(N2CCC(C(=O)Nc3cccc(-c4ccc5ccccc5c4)n3)CC2)nc1	ZINC000058244511	569451505	/nfs/dbraw/zinc/45/15/05/569451505.db2.gz	VTDQNUVGJIZZCC-UHFFFAOYSA-N	0	0	433.515	5.024	50	30		IKEARN
CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccccc1Cl	ZINC000003587268	569454521	/nfs/dbraw/zinc/45/45/21/569454521.db2.gz	CJCRMZNXBKATAJ-MFKUBSTISA-N	0	0	425.001	5.635	50	30		IKEARN
Cc1cc(C)c(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)c(C)c1	ZINC000003587563	569454526	/nfs/dbraw/zinc/45/45/26/569454526.db2.gz	HYHSPCDTLPWHCJ-BRJLIKDPSA-N	0	0	428.964	5.575	50	30		IKEARN
COc1ccc(Nc2nc(N=NC=CCc3ccccc3)nc(Nc3ccccc3)n2)cc1	ZINC000003660089	569455849	/nfs/dbraw/zinc/45/58/49/569455849.db2.gz	AROHLYUXTQFJPZ-QJBYRTJNSA-N	0	0	437.507	5.479	50	30		IKEARN
CCCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(O)c1	ZINC000004015890	569458164	/nfs/dbraw/zinc/45/81/64/569458164.db2.gz	WYIGXMWSNDTVFP-TURZUDJPSA-N	0	0	438.531	5.775	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\c2ccc(F)cc2)N(C2CCCCC2)C1=O	ZINC000004082107	569458725	/nfs/dbraw/zinc/45/87/25/569458725.db2.gz	RBDMRKYPGQLHFZ-JXAXBCJLSA-N	0	0	439.581	6.133	50	30		IKEARN
COc1ccccc1-n1c(SCc2cccc(C#N)c2)nnc1-c1ccccc1Cl	ZINC000004145517	569460442	/nfs/dbraw/zinc/46/04/42/569460442.db2.gz	NIBQCEQNPTYJGC-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1N	ZINC000059278044	569460713	/nfs/dbraw/zinc/46/07/13/569460713.db2.gz	WRGKROVGVSWJMI-UHFFFAOYSA-N	0	0	445.910	5.458	50	30		IKEARN
COc1ccc(-n2c(SCc3cccc(C#N)c3)nnc2-c2ccccc2OC)cc1	ZINC000004184045	569460762	/nfs/dbraw/zinc/46/07/62/569460762.db2.gz	HTDVPRGASRBTCZ-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C)c1	ZINC000004211654	569460985	/nfs/dbraw/zinc/46/09/85/569460985.db2.gz	IQIJQAUVERUEFX-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1cccc(F)c1)c1ccc(Cl)cc1	ZINC000066437800	569462172	/nfs/dbraw/zinc/46/21/72/569462172.db2.gz	KOQGHAVCVAOWLU-UHFFFAOYSA-N	0	0	434.902	5.401	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437752	569462186	/nfs/dbraw/zinc/46/21/86/569462186.db2.gz	WATFROPVJYGVGN-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NC(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12	ZINC000066437728	569462191	/nfs/dbraw/zinc/46/21/91/569462191.db2.gz	LJRVCCMRHQIBQC-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000066437712	569462207	/nfs/dbraw/zinc/46/22/07/569462207.db2.gz	CJPDUWPNADSXER-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
CCCCCCCCCCc1ccc(-c2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)cc1	ZINC000008383690	569462649	/nfs/dbraw/zinc/46/26/49/569462649.db2.gz	ZEKHYCOBVASXFI-QFIPXVFZSA-N	0	0	437.624	6.718	50	30		IKEARN
Cc1cc(C)cc(C#C/C=C/c2cc3c(-c4cc(C)cc(C)c4)cccc3c3ccccc23)c1	ZINC000008384068	569462670	/nfs/dbraw/zinc/46/26/70/569462670.db2.gz	MTEFTDGYUVZCHJ-IZZDOVSWSA-N	0	0	436.598	8.959	50	30		IKEARN
Cc1ccc(N2C(=S)N=C(Nc3ccc(C)c(Br)c3)C23CCCCC3)cc1	ZINC000008387267	569462733	/nfs/dbraw/zinc/46/27/33/569462733.db2.gz	LIWMOUWWRFKXIJ-UHFFFAOYSA-N	0	0	442.426	6.194	50	30		IKEARN
O=C(NC(Nc1ccc(OC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1	ZINC000008445352	569464797	/nfs/dbraw/zinc/46/47/97/569464797.db2.gz	UBRWWMPPNYIHAL-UHFFFAOYSA-N	0	0	446.269	5.248	50	30		IKEARN
COC(=O)[C@H](Sc1nc(-c2cccs2)cc(-c2ccccc2)c1C#N)c1ccccc1	ZINC000008451267	569465119	/nfs/dbraw/zinc/46/51/19/569465119.db2.gz	CWKQEQWNBPDTFO-HSZRJFAPSA-N	0	0	442.565	6.355	50	30		IKEARN
FC(F)(F)c1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1cccc2ccccc12	ZINC000008717914	569471190	/nfs/dbraw/zinc/47/11/90/569471190.db2.gz	YITVXXLADOFRTC-RPPGKUMJSA-N	0	0	446.885	6.278	50	30		IKEARN
N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Br)cc1	ZINC000008733528	569472489	/nfs/dbraw/zinc/47/24/89/569472489.db2.gz	YINCKGVZGZNBRC-UHFFFAOYSA-N	0	0	436.161	6.841	50	30		IKEARN
COc1ccc(-c2cc(C3CC3)nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C#N)cc1	ZINC000008767086	569474896	/nfs/dbraw/zinc/47/48/96/569474896.db2.gz	HFTMMGFZYCKVFI-UHFFFAOYSA-N	0	0	448.460	5.474	50	30		IKEARN
CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N/c1ccc(Oc2ccccc2)cc1	ZINC000008771115	569475170	/nfs/dbraw/zinc/47/51/70/569475170.db2.gz	KQBBOLGGRBDANO-XLVZBRSZSA-N	0	0	438.527	6.541	50	30		IKEARN
Cc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1	ZINC000008781511	569475641	/nfs/dbraw/zinc/47/56/41/569475641.db2.gz	FPUBFIBFUHAENF-MUUNZHRXSA-N	0	0	429.328	5.593	50	30		IKEARN
Clc1ccc(-c2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1	ZINC000008782210	569475768	/nfs/dbraw/zinc/47/57/68/569475768.db2.gz	UDXFACQSWZNAMX-AUEPDCJTSA-N	0	0	436.751	6.574	50	30		IKEARN
Cc1ccc(C(=O)O/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1	ZINC000008782139	569475777	/nfs/dbraw/zinc/47/57/77/569475777.db2.gz	XQDGDQVVTQISQW-VULFUBBASA-N	0	0	449.963	6.094	50	30		IKEARN
CC(C)(C)c1ccc(CSc2nc3c(c(-c4ccc(Cl)cc4)c2C#N)CCC3)cc1	ZINC000008809624	569476535	/nfs/dbraw/zinc/47/65/35/569476535.db2.gz	IZODHYBXWNNZDP-UHFFFAOYSA-N	0	0	433.020	7.352	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2Cl)nc1SCc1ccc(F)c(F)c1	ZINC000008809666	569476555	/nfs/dbraw/zinc/47/65/55/569476555.db2.gz	ZQWKRFLQEMOOQI-UHFFFAOYSA-N	0	0	448.925	7.511	50	30		IKEARN
COCc1cc(C)nc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)c1C#N	ZINC000008809807	569476591	/nfs/dbraw/zinc/47/65/91/569476591.db2.gz	MRYGXWYWVUFJPB-XODNFHPESA-N	0	0	443.938	5.511	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008816877	569476829	/nfs/dbraw/zinc/47/68/29/569476829.db2.gz	KRKPXPKHYCRIDG-QHCPKHFHSA-N	0	0	426.516	5.470	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008817686	569476935	/nfs/dbraw/zinc/47/69/35/569476935.db2.gz	UGRMMBSACGWDRF-HXUWFJFHSA-N	0	0	446.553	5.758	50	30		IKEARN
CCOc1ccc(NC2=CC(=C3C=CC(=O)C=C3)C=C(OCC)c3c(C)oc(C)c32)cc1	ZINC000008818249	569477007	/nfs/dbraw/zinc/47/70/07/569477007.db2.gz	UCQDQXSTNAKNEI-UHFFFAOYSA-N	0	0	429.516	6.131	50	30		IKEARN
N#CCCn1nc(-c2ccccc2)c2c1Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])cc1	ZINC000008826423	569477542	/nfs/dbraw/zinc/47/75/42/569477542.db2.gz	WUCMEJGUBJBTTA-HSZRJFAPSA-N	0	0	436.475	5.630	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1	ZINC000008827437	569477600	/nfs/dbraw/zinc/47/76/00/569477600.db2.gz	VPBQKMPLLZBNJV-OAQYLSRUSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCn1c2nc3ccccc3nc2c(C(=O)OCCCCC)c1NC(=O)c1ccccc1	ZINC000008836016	569478056	/nfs/dbraw/zinc/47/80/56/569478056.db2.gz	BWOZJMAKDUMVFT-UHFFFAOYSA-N	0	0	442.519	5.370	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008838305	569478307	/nfs/dbraw/zinc/47/83/07/569478307.db2.gz	POIBZPPLXLSUFL-JOCHJYFZSA-N	0	0	440.524	5.696	50	30		IKEARN
COc1ccc(CCNc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1	ZINC000008844513	569478599	/nfs/dbraw/zinc/47/85/99/569478599.db2.gz	BNBFEKUQGXNLCY-UHFFFAOYSA-N	0	0	449.894	5.702	50	30		IKEARN
CCN(CC)c1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1	ZINC000008844388	569478603	/nfs/dbraw/zinc/47/86/03/569478603.db2.gz	YIXGFPLBVOXWJR-VXLYETTFSA-N	0	0	448.588	5.538	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N3)n1	ZINC000008846657	569479121	/nfs/dbraw/zinc/47/91/21/569479121.db2.gz	WJEPMVOKOODBNE-QFIPXVFZSA-N	0	0	437.370	7.051	50	30		IKEARN
Clc1ccc(CO/N=C/c2c(-c3ccccc3)nc3ccc(Cl)cn23)c(Cl)c1	ZINC000008855355	569479682	/nfs/dbraw/zinc/47/96/82/569479682.db2.gz	KAGPQUHCKDXDLY-OPEKNORGSA-N	0	0	430.722	6.512	50	30		IKEARN
O=C1/C(=N/Nc2cccc([N+](=O)[O-])c2)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21	ZINC000008857240	569479834	/nfs/dbraw/zinc/47/98/34/569479834.db2.gz	VGHHOQNJJSIINS-QLYXXIJNSA-N	0	0	441.472	5.297	50	30		IKEARN
COc1ccc(N/N=C2\Sc3nc(-c4ccccc4)c(-c4ccccc4)n3C2=O)cc1	ZINC000008857242	569479884	/nfs/dbraw/zinc/47/98/84/569479884.db2.gz	VRUKLBRJXUUFHS-QYQHSDTDSA-N	0	0	426.501	5.397	50	30		IKEARN
Cc1ccc(C(=O)Nc2sc(N=NCc3ccc(O)cc3)nc2-c2ccc(C)cc2)cc1	ZINC000008867493	569480241	/nfs/dbraw/zinc/48/02/41/569480241.db2.gz	IXWWPOFRVMUHEY-CVKSISIWSA-N	0	0	442.544	5.831	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000008869655	569480484	/nfs/dbraw/zinc/48/04/84/569480484.db2.gz	XMADWHRVMGSSLZ-VWLOTQADSA-N	0	0	437.495	5.724	50	30		IKEARN
COc1ccc(-c2nc(SCc3ccccc3)n(Cc3ccccc3)c(=O)c2C#N)cc1	ZINC000039629878	569481830	/nfs/dbraw/zinc/48/18/30/569481830.db2.gz	WDSMAEUTSUZYPD-UHFFFAOYSA-N	0	0	439.540	5.131	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1	ZINC000008883649	569483020	/nfs/dbraw/zinc/48/30/20/569483020.db2.gz	HDDGRPHOCACWHU-QFIPXVFZSA-N	0	0	436.920	5.227	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c1C	ZINC000008886305	569483194	/nfs/dbraw/zinc/48/31/94/569483194.db2.gz	NWCLVJQCBKLLNE-VGSWGCGISA-N	0	0	449.624	5.671	50	30		IKEARN
Cc1c(C)n(Cc2ccccc2)c(NC(=O)CSc2nc3ccccc3nc2C)c1C#N	ZINC000040052106	569484503	/nfs/dbraw/zinc/48/45/03/569484503.db2.gz	SOECAPVZKQDBLM-UHFFFAOYSA-N	0	0	441.560	5.007	50	30		IKEARN
C=CCOc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1	ZINC000008915591	569485568	/nfs/dbraw/zinc/48/55/68/569485568.db2.gz	SWSWSWGJJBWXGI-HKOYGPOVSA-N	0	0	439.511	6.603	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)cc(OC)c1OC	ZINC000008917877	569486141	/nfs/dbraw/zinc/48/61/41/569486141.db2.gz	KSASGEDCUMBJKG-KSEXSDGBSA-N	0	0	446.499	5.524	50	30	biogenic	IKEARN
CCCC(=O)C1=C(Nc2ccc(N=Nc3ccccc3)cc2)CC(C)(C)[C@@H](C(=O)OC)C1=O	ZINC000008925992	569487191	/nfs/dbraw/zinc/48/71/91/569487191.db2.gz	PZYULESMBJJFGN-IFQZSBTPSA-N	0	0	447.535	5.925	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3cccs3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)c(C)c1	ZINC000008934253	569487930	/nfs/dbraw/zinc/48/79/30/569487930.db2.gz	WKOKHHOWWHAYEC-SDHSZQHLSA-N	0	0	435.552	5.649	50	30		IKEARN
CC1(C)SC(=S)N(/N=C/c2cccs2)[C@H]1N(O)C(=O)Nc1ccc(Cl)cc1	ZINC000008951397	569489865	/nfs/dbraw/zinc/48/98/65/569489865.db2.gz	UNEWJJCUZQOVOH-FVOVHSBVSA-N	0	0	441.003	5.097	50	30		IKEARN
Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1	ZINC000008951462	569489869	/nfs/dbraw/zinc/48/98/69/569489869.db2.gz	DCBHFERBBOPWPG-QQZPLFJDSA-N	0	0	449.001	5.344	50	30		IKEARN
Cc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2cccc(Cl)c2)cc1	ZINC000008951461	569489888	/nfs/dbraw/zinc/48/98/88/569489888.db2.gz	DCBHFERBBOPWPG-ORWNMUSCSA-N	0	0	449.001	5.344	50	30		IKEARN
COc1ccc(Br)cc1/C=N/c1cc(-c2ccc(C)cc2)nn1-c1ccccc1	ZINC000008951880	569489933	/nfs/dbraw/zinc/48/99/33/569489933.db2.gz	LVZRFFKSKJJDQO-WGOQTCKBSA-N	0	0	446.348	6.369	50	30		IKEARN
Cc1ccccc1OCCn1cc(/C=N/NC(=S)NCc2ccccc2)c2ccccc21	ZINC000008983838	569494675	/nfs/dbraw/zinc/49/46/75/569494675.db2.gz	IDTJHOFVYDVESK-MTDXEUNCSA-N	0	0	442.588	5.027	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000008985409	569494758	/nfs/dbraw/zinc/49/47/58/569494758.db2.gz	JTPGPCPTIZVXAF-NRFANRHFSA-N	0	0	439.552	5.526	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1OC	ZINC000008992376	569495381	/nfs/dbraw/zinc/49/53/81/569495381.db2.gz	OJCMJHHYLMMUOT-UHFFFAOYSA-N	0	0	448.441	6.088	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4C)ccc3C1=O)cn2C	ZINC000008992669	569495385	/nfs/dbraw/zinc/49/53/85/569495385.db2.gz	UJMJQPLDIWJCEY-BRJLIKDPSA-N	0	0	439.467	5.331	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OS(=O)(=O)c4ccccc4)ccc3C2=O)c2ccccc21	ZINC000008993295	569495408	/nfs/dbraw/zinc/49/54/08/569495408.db2.gz	GMYIKSWZXHAZKK-ZVHZXABRSA-N	0	0	445.496	5.045	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2)cc1OC	ZINC000009019003	569496863	/nfs/dbraw/zinc/49/68/63/569496863.db2.gz	WLEOBYFYPYTMKM-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2nc3ccccc3o2)cc1	ZINC000009030824	569497108	/nfs/dbraw/zinc/49/71/08/569497108.db2.gz	RWBUZTSQHYLNPR-XLNRJJMWSA-N	0	0	442.471	6.338	50	30		IKEARN
CCO/C=N/c1c(C(=O)OCC)sc2nc(-c3ccco3)c3c(c21)CC(C)(C)OC3	ZINC000009057783	569499209	/nfs/dbraw/zinc/49/92/09/569499209.db2.gz	FHFDTDZSGREJTL-FSJBWODESA-N	0	0	428.510	5.281	50	30		IKEARN
COc1cc2c(cc1OC)C(=CC(=O)c1cc(-c3cccs3)nc3ccccc31)NCC2	ZINC000009058988	569499282	/nfs/dbraw/zinc/49/92/82/569499282.db2.gz	BMVIHEOIHXECFC-QNGOZBTKSA-N	0	0	442.540	5.350	50	30		IKEARN
CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCc1ccccc1	ZINC000009065458	569499661	/nfs/dbraw/zinc/49/96/61/569499661.db2.gz	HXZCTARDRJIIEL-JOCHJYFZSA-N	0	0	443.595	5.002	50	30		IKEARN
CCOC1=CC(=C2C=CC(=O)C(OC)=C2)C=C(Nc2ccc(C)cc2)c2c(C)oc(C)c21	ZINC000009069476	569500130	/nfs/dbraw/zinc/50/01/30/569500130.db2.gz	OYFFFEZXIFESOA-VXPUYCOJSA-N	0	0	429.516	6.015	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cn(Cc2ccccc2)c2ccccc12	ZINC000009076594	569500331	/nfs/dbraw/zinc/50/03/31/569500331.db2.gz	RMLBGMFCDVYUDB-GDLZYMKVSA-N	0	0	447.582	6.912	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cn(Cc2ccccc2)c2ccccc12	ZINC000009076593	569500376	/nfs/dbraw/zinc/50/03/76/569500376.db2.gz	RMLBGMFCDVYUDB-LJAQVGFWSA-N	0	0	447.582	6.912	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(N(C)C)cc2)cc1Cl	ZINC000009088963	569500904	/nfs/dbraw/zinc/50/09/04/569500904.db2.gz	HSNBXIRHSVPVTM-HSZRJFAPSA-N	0	0	446.934	5.497	50	30		IKEARN
O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccc(Br)cc1	ZINC000009108663	569501876	/nfs/dbraw/zinc/50/18/76/569501876.db2.gz	WHQPRQLQICMUCV-CMDGGOBGSA-N	0	0	431.282	5.765	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2	ZINC000009125700	569504682	/nfs/dbraw/zinc/50/46/82/569504682.db2.gz	FOMKHISKWOJCAP-UHFFFAOYSA-N	0	0	433.558	5.001	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@H](c3ccc(F)cc3)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000009128770	569505508	/nfs/dbraw/zinc/50/55/08/569505508.db2.gz	BJQAEPSZBKQFFF-HXUWFJFHSA-N	0	0	433.523	5.483	50	30		IKEARN
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)c(OC)c1	ZINC000009130409	569506048	/nfs/dbraw/zinc/50/60/48/569506048.db2.gz	BRBXTEDIMJPHRJ-RUZDIDTESA-N	0	0	446.547	5.257	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1[S@](=O)Cc1ccc(Cl)cc1	ZINC000009130778	569506133	/nfs/dbraw/zinc/50/61/33/569506133.db2.gz	LKSDEUWISFYTBY-LJAQVGFWSA-N	0	0	434.973	6.310	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(Br)c3)sc2C1	ZINC000009136302	569507129	/nfs/dbraw/zinc/50/71/29/569507129.db2.gz	HIJKFEJSXILTTE-CQSZACIVSA-N	0	0	431.399	6.176	50	30		IKEARN
CN(CCN(C)/N=C/c1ccc(Cl)cc1Cl)/N=C/c1ccc(Cl)cc1Cl	ZINC000009137066	569507180	/nfs/dbraw/zinc/50/71/80/569507180.db2.gz	AYPIVWJEHRSHKT-ASIDMNOUSA-N	0	0	432.182	5.532	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccccc2)nc(-c2ccc(Cl)cc2)cc1-c1cccs1	ZINC000009144836	569507397	/nfs/dbraw/zinc/50/73/97/569507397.db2.gz	LRQBOAHCLJNGJV-UHFFFAOYSA-N	0	0	446.984	6.977	50	30		IKEARN
O=C(COc1ccc2c(c1)O/C(=C\c1c(F)cccc1Cl)C2=O)OCc1ccccc1	ZINC000009158854	569508509	/nfs/dbraw/zinc/50/85/09/569508509.db2.gz	HSRAAYBBALNIEF-UUYOSTAYSA-N	0	0	438.838	5.218	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000009185633	569510106	/nfs/dbraw/zinc/51/01/06/569510106.db2.gz	JREWQHTZTNRSCL-UINIZAEWSA-N	0	0	427.573	6.178	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1	ZINC000009186581	569510263	/nfs/dbraw/zinc/51/02/63/569510263.db2.gz	RITAFLIKEAQDTQ-XCZPVHLTSA-N	0	0	438.571	6.791	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1	ZINC000009215678	569512036	/nfs/dbraw/zinc/51/20/36/569512036.db2.gz	WPFQZLCDZWOGCW-AHWVRZQESA-N	0	0	430.935	6.456	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1	ZINC000009216572	569512156	/nfs/dbraw/zinc/51/21/56/569512156.db2.gz	KHMPSGMVRIWTHT-ILBGXUMGSA-N	0	0	427.460	5.402	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)SC1=S	ZINC000009310376	569521738	/nfs/dbraw/zinc/52/17/38/569521738.db2.gz	IOSPOYIUCWSUSW-GIDUJCDVSA-N	0	0	430.765	6.294	50	30		IKEARN
CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O	ZINC000009236592	569514123	/nfs/dbraw/zinc/51/41/23/569514123.db2.gz	CNIHVUIBTVCRHV-KEBDBYFISA-N	0	0	426.925	5.483	50	30		IKEARN
CCCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cc(C)on2)cc1	ZINC000009243280	569514888	/nfs/dbraw/zinc/51/48/88/569514888.db2.gz	XKQKLJWHSKBKCX-QHCPKHFHSA-N	0	0	446.503	5.335	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)cc2Cl)nc(-c2cccs2)c2c1CCCC2	ZINC000009246848	569515475	/nfs/dbraw/zinc/51/54/75/569515475.db2.gz	CFKOHUUDIHXGIT-UHFFFAOYSA-N	0	0	431.413	7.160	50	30		IKEARN
CCOc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009270876	569517612	/nfs/dbraw/zinc/51/76/12/569517612.db2.gz	YSLRDVYZMDKANX-QFIPXVFZSA-N	0	0	433.891	5.522	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000009270329	569517671	/nfs/dbraw/zinc/51/76/71/569517671.db2.gz	VUXPEMRNQDGDKF-KMRXNPHXSA-N	0	0	440.518	6.055	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1	ZINC000009272082	569517867	/nfs/dbraw/zinc/51/78/67/569517867.db2.gz	ZHQYSJCZMJRFFK-NIYFSFCBSA-N	0	0	440.568	6.059	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1	ZINC000009272893	569517996	/nfs/dbraw/zinc/51/79/96/569517996.db2.gz	BFUIAKWTQHXSHY-QHCPKHFHSA-N	0	0	431.919	6.246	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000009272805	569518001	/nfs/dbraw/zinc/51/80/01/569518001.db2.gz	BGNSDCKQVAQFLK-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	ZINC000009272627	569518015	/nfs/dbraw/zinc/51/80/15/569518015.db2.gz	QOSSRUJFXGWGNB-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009273019	569518062	/nfs/dbraw/zinc/51/80/62/569518062.db2.gz	ZMVXXGLRNXCNKH-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009274634	569518241	/nfs/dbraw/zinc/51/82/41/569518241.db2.gz	TUOYNQGJFHENKH-IBGZPJMESA-N	0	0	438.574	5.728	50	30		IKEARN
COc1ccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1	ZINC000009281228	569518588	/nfs/dbraw/zinc/51/85/88/569518588.db2.gz	HBBMVCLQIHDTNI-UUYOSTAYSA-N	0	0	427.283	6.197	50	30		IKEARN
N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccc(Cl)cc2)C1=O	ZINC000009295715	569520329	/nfs/dbraw/zinc/52/03/29/569520329.db2.gz	STRXTFGYIJVORX-XKZIYDEJSA-N	0	0	446.915	6.032	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009301907	569520795	/nfs/dbraw/zinc/52/07/95/569520795.db2.gz	JSDYBNDVMQTLCO-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(-c4ccccc4)cc2)C3=O)cc1	ZINC000009303199	569520991	/nfs/dbraw/zinc/52/09/91/569520991.db2.gz	FPHSGYSTLOCTAV-PKAZHMFMSA-N	0	0	448.474	6.198	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(-c3ccccc3)cc1)C2=O	ZINC000009306465	569521348	/nfs/dbraw/zinc/52/13/48/569521348.db2.gz	XNCYFTINFGSUNZ-ZWYQHUONSA-N	0	0	444.486	6.589	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1	ZINC000009307567	569521393	/nfs/dbraw/zinc/52/13/93/569521393.db2.gz	OCQPUSJBQPHUDZ-UHFFFAOYSA-N	0	0	437.355	6.405	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(NCc2ccccc2)c1Cc1ccccc1Cl	ZINC000009308531	569521522	/nfs/dbraw/zinc/52/15/22/569521522.db2.gz	OYNMWVWGFNRZBM-UHFFFAOYSA-N	0	0	436.946	6.524	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc(Br)ccc1O	ZINC000009308679	569521528	/nfs/dbraw/zinc/52/15/28/569521528.db2.gz	ZEBBKFBZIVZSOJ-BRJLIKDPSA-N	0	0	448.324	5.144	50	30		IKEARN
C=CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1	ZINC000009310027	569521680	/nfs/dbraw/zinc/52/16/80/569521680.db2.gz	SDKUGTDDYYBFSW-AOYPEHQESA-N	0	0	446.934	6.156	50	30		IKEARN
COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000009331659	569523060	/nfs/dbraw/zinc/52/30/60/569523060.db2.gz	IPUYFPMFIOIFJD-CVYRBCPQSA-N	0	0	425.484	5.186	50	30	biogenic	IKEARN
O=C(/C=C/c1ccc(Cl)cc1)c1cc(F)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000009334821	569523203	/nfs/dbraw/zinc/52/32/03/569523203.db2.gz	DSSNUZRXMXKFCB-UXBLZVDNSA-N	0	0	425.799	5.503	50	30		IKEARN
Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Cl)cc3Cl)n2)cc1	ZINC000009348389	569524440	/nfs/dbraw/zinc/52/44/40/569524440.db2.gz	XGAOTWILJFETRY-BRJLIKDPSA-N	0	0	427.722	6.703	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009359441	569525697	/nfs/dbraw/zinc/52/56/97/569525697.db2.gz	FKBCHNZOOUEIAJ-NRFANRHFSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009370879	569526883	/nfs/dbraw/zinc/52/68/83/569526883.db2.gz	QHLYBKWHGDWSFG-OAQYLSRUSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009373724	569527093	/nfs/dbraw/zinc/52/70/93/569527093.db2.gz	VONWDIDJWONXBY-AVRWGWEMSA-N	0	0	439.511	5.097	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009373726	569527152	/nfs/dbraw/zinc/52/71/52/569527152.db2.gz	VONWDIDJWONXBY-IQGLISFBSA-N	0	0	439.511	5.097	50	30		IKEARN
Cc1c(Cl)cccc1-n1c(SCCOc2ccc(C#N)cc2)nnc1-c1ccncc1	ZINC000009378677	569527659	/nfs/dbraw/zinc/52/76/59/569527659.db2.gz	XSRIISHSJKQTBU-UHFFFAOYSA-N	0	0	447.951	5.334	50	30		IKEARN
CCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009379647	569527688	/nfs/dbraw/zinc/52/76/88/569527688.db2.gz	NRXWTULIFTWMEG-JGTLJEJISA-N	0	0	431.561	5.483	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(Cl)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009380175	569527807	/nfs/dbraw/zinc/52/78/07/569527807.db2.gz	WCTKBMBMMXFNNY-AXLPEMCNSA-N	0	0	435.980	6.127	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000009380306	569527849	/nfs/dbraw/zinc/52/78/49/569527849.db2.gz	YKUIWDOCWKLGNG-WTYVLRPYSA-N	0	0	440.562	7.103	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000009380311	569527871	/nfs/dbraw/zinc/52/78/71/569527871.db2.gz	GKRCOIVEKBWVGT-OAQYLSRUSA-N	0	0	448.316	5.540	50	30		IKEARN
O=C1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)C1=C(O)C=Cc1ccccc1	ZINC000009380433	569527923	/nfs/dbraw/zinc/52/79/23/569527923.db2.gz	HZYBHUSUBXHFHT-WOOPDLCSSA-N	0	0	449.428	5.888	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009380312	569527933	/nfs/dbraw/zinc/52/79/33/569527933.db2.gz	GKRCOIVEKBWVGT-NRFANRHFSA-N	0	0	448.316	5.540	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1	ZINC000009418653	569532417	/nfs/dbraw/zinc/53/24/17/569532417.db2.gz	JVZYDENHLLYYBO-UHFFFAOYSA-N	0	0	439.289	7.238	50	30		IKEARN
Cc1cccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)c1	ZINC000009419167	569532474	/nfs/dbraw/zinc/53/24/74/569532474.db2.gz	HBHLUIVDDYORAY-IMRQLAEWSA-N	0	0	447.490	6.948	50	30		IKEARN
Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)cc1	ZINC000009419214	569532569	/nfs/dbraw/zinc/53/25/69/569532569.db2.gz	DJGZNIWQEZUDTO-IMRQLAEWSA-N	0	0	447.490	6.948	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1ccc(Cl)cc1Cl	ZINC000009419348	569532570	/nfs/dbraw/zinc/53/25/70/569532570.db2.gz	BAXMYSXAAMYRBC-JMIUGGIZSA-N	0	0	447.295	5.377	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4cccs4)ccc3C2=O)c2cc(OC)ccc21	ZINC000009422404	569532857	/nfs/dbraw/zinc/53/28/57/569532857.db2.gz	VEQVRGMSPYMEBS-SSDVNMTOSA-N	0	0	445.496	5.567	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C	ZINC000009422514	569532874	/nfs/dbraw/zinc/53/28/74/569532874.db2.gz	IEEHTOCTIXMTFH-BRJLIKDPSA-N	0	0	443.474	5.830	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O	ZINC000009422494	569532875	/nfs/dbraw/zinc/53/28/75/569532875.db2.gz	QLBSSUNCONHWPN-ZVHZXABRSA-N	0	0	439.467	5.331	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccco4)ccc3C2=O)c2cc(OC)ccc21	ZINC000009422681	569532905	/nfs/dbraw/zinc/53/29/05/569532905.db2.gz	ZKVXYXAKWUZXCJ-FOKLQQMPSA-N	0	0	429.428	5.098	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4cccc(Cl)c4)ccc3C2=O)c2ccccc21	ZINC000009423930	569533031	/nfs/dbraw/zinc/53/30/31/569533031.db2.gz	VYMNHCMOLIBZQP-DHRITJCHSA-N	0	0	429.903	6.510	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O	ZINC000009424824	569533165	/nfs/dbraw/zinc/53/31/65/569533165.db2.gz	FFUJAZBXOGCWLY-UIAIJNLVSA-N	0	0	431.561	5.483	50	30		IKEARN
COc1ccc2nc(Cl)c(CN=Nc3nc4ccccc4c(-c4ccccc4)n3)cc2c1	ZINC000009428471	569533554	/nfs/dbraw/zinc/53/35/54/569533554.db2.gz	XXPCRSOPELLTJH-JFLMPSFJSA-N	0	0	439.906	5.953	50	30		IKEARN
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1	ZINC000009433152	569534519	/nfs/dbraw/zinc/53/45/19/569534519.db2.gz	SNTCFGIOXNQWRE-RPBOFIJWSA-N	0	0	444.600	5.904	50	30		IKEARN
N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)c1	ZINC000009446156	569535861	/nfs/dbraw/zinc/53/58/61/569535861.db2.gz	FTZSOAVOERYIOT-VYIQYICTSA-N	0	0	444.288	5.552	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(CC)cc2)cc1	ZINC000009454081	569536628	/nfs/dbraw/zinc/53/66/28/569536628.db2.gz	ZNHQUHCKIGMDLT-QHCPKHFHSA-N	0	0	446.503	5.117	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O	ZINC000009462285	569537206	/nfs/dbraw/zinc/53/72/06/569537206.db2.gz	HNCZVNSWRRRRSL-UHNOWLQGSA-N	0	0	444.398	5.473	50	30		IKEARN
Cc1ccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)cc1	ZINC000009463681	569537488	/nfs/dbraw/zinc/53/74/88/569537488.db2.gz	OPASOXSXPQBQJD-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
CCc1cc(S[C@@H](C)c2nnc(-c3ccccc3)o2)n2c3ccccc3nc2c1C#N	ZINC000009468622	569538692	/nfs/dbraw/zinc/53/86/92/569538692.db2.gz	GISRTWMRYGBLRX-HNNXBMFYSA-N	0	0	425.517	5.825	50	30		IKEARN
C[C@@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1sccc1C#N	ZINC000009468966	569538749	/nfs/dbraw/zinc/53/87/49/569538749.db2.gz	OPIKJLZJGMSRJN-CQSZACIVSA-N	0	0	431.546	5.426	50	30		IKEARN
COc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1OC	ZINC000009486718	569539648	/nfs/dbraw/zinc/53/96/48/569539648.db2.gz	QBGDXLJPTXQEDH-LGMDPLHJSA-N	0	0	430.416	5.177	50	30		IKEARN
CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@H]1CCCc2ccccc21	ZINC000009499145	569541426	/nfs/dbraw/zinc/54/14/26/569541426.db2.gz	UHDLVPVHQBJGHS-QFIPXVFZSA-N	0	0	440.572	5.158	50	30		IKEARN
C=CCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1	ZINC000009507727	569542119	/nfs/dbraw/zinc/54/21/19/569542119.db2.gz	CPYFGLFMQGOWQY-UHFFFAOYSA-N	0	0	425.385	5.151	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2)cc1	ZINC000009540770	569545868	/nfs/dbraw/zinc/54/58/68/569545868.db2.gz	QBVIKVKNAFUIKY-WVZPCHHUSA-N	0	0	425.484	5.268	50	30		IKEARN
C=CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1	ZINC000009548938	569546545	/nfs/dbraw/zinc/54/65/45/569546545.db2.gz	XCMFLYGVLPHBDZ-QFIPXVFZSA-N	0	0	444.535	5.742	50	30		IKEARN
C=CCn1cnnc1SCc1csc(N(C(C)=O)c2c(C)cc(C)cc2Cl)n1	ZINC000009577132	569548186	/nfs/dbraw/zinc/54/81/86/569548186.db2.gz	NHAPYFBWVXKRRM-UHFFFAOYSA-N	0	0	433.990	5.168	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1O	ZINC000009601029	569551544	/nfs/dbraw/zinc/55/15/44/569551544.db2.gz	NKJHSBJSERJWFG-URAOTHONSA-N	0	0	447.534	6.621	50	30		IKEARN
CCC1=Nc2ccccc2NC(=NC(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009614642	569553154	/nfs/dbraw/zinc/55/31/54/569553154.db2.gz	FVVMCHXBZDNGSR-DEOSSOPVSA-N	0	0	427.504	5.635	50	30		IKEARN
CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1	ZINC000009639414	569555228	/nfs/dbraw/zinc/55/52/28/569555228.db2.gz	ZYWNNDBIVVDGRY-UHFFFAOYSA-N	0	0	447.516	5.179	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2C1	ZINC000009640024	569555270	/nfs/dbraw/zinc/55/52/70/569555270.db2.gz	NRLZCQKYUVMKKX-GFCCVEGCSA-N	0	0	435.599	6.335	50	30		IKEARN
COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccc(C#N)cc3)nc21	ZINC000009708979	569561973	/nfs/dbraw/zinc/56/19/73/569561973.db2.gz	MKIZFCGECZUKBZ-UHFFFAOYSA-N	0	0	434.908	5.072	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1F	ZINC000009720416	569563257	/nfs/dbraw/zinc/56/32/57/569563257.db2.gz	KHOSNELCPJNKHI-UHFFFAOYSA-N	0	0	448.490	5.541	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1O	ZINC000009720808	569563324	/nfs/dbraw/zinc/56/33/24/569563324.db2.gz	IZLHGUSAPDPEFD-GZTJUZNOSA-N	0	0	447.354	5.007	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1cccc(Cl)c1	ZINC000009729932	569564326	/nfs/dbraw/zinc/56/43/26/569564326.db2.gz	BAPBVPGTUDMTPW-CQSZACIVSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1	ZINC000009729930	569564347	/nfs/dbraw/zinc/56/43/47/569564347.db2.gz	BAPBVPGTUDMTPW-AWEZNQCLSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCC)C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009731343	569564578	/nfs/dbraw/zinc/56/45/78/569564578.db2.gz	IDSBHZKXZGRQFR-UHFFFAOYSA-N	0	0	447.619	6.347	50	30		IKEARN
COc1ccc(-c2nc3n(n2)[C@@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731749	569564667	/nfs/dbraw/zinc/56/46/67/569564667.db2.gz	PICFJCZRKKWVTR-NRFANRHFSA-N	0	0	434.927	5.265	50	30		IKEARN
CCCC(=O)C1=C(c2cccs2)N(C(=O)CCC)n2c(nnc2-c2ccccc2)S1	ZINC000009737562	569564808	/nfs/dbraw/zinc/56/48/08/569564808.db2.gz	FJWIETAANVSYCC-UHFFFAOYSA-N	0	0	438.578	5.115	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(Cc3ccccc3)o2)c1C#N	ZINC000009745994	569565726	/nfs/dbraw/zinc/56/57/26/569565726.db2.gz	QIGNWVDFTVDSCE-UHFFFAOYSA-N	0	0	449.580	5.186	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@H]3C=Cc4cc(Cl)ccc4N32)cc1	ZINC000009761135	569566216	/nfs/dbraw/zinc/56/62/16/569566216.db2.gz	NPTFPJMIBFTQJX-CYXNTTPDSA-N	0	0	449.941	5.933	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(F)cc3)sc2C1	ZINC000009762926	569566489	/nfs/dbraw/zinc/56/64/89/569566489.db2.gz	VNZAXTWKFAUXCE-AWEZNQCLSA-N	0	0	429.586	5.427	50	30		IKEARN
CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O	ZINC000009775619	569566988	/nfs/dbraw/zinc/56/69/88/569566988.db2.gz	IZMZUMNGDQMYMO-UHFFFAOYSA-N	0	0	449.635	6.571	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccccc1	ZINC000009779431	569567396	/nfs/dbraw/zinc/56/73/96/569567396.db2.gz	FQFPHGIEPQTZQF-DFHRPNOPSA-N	0	0	436.555	6.243	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4cccc(Cl)c4)nn3[C@H](c3ccccc3F)C12	ZINC000009856572	569571612	/nfs/dbraw/zinc/57/16/12/569571612.db2.gz	PHBJNRDSUUILQZ-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cccc(O)c1	ZINC000009861372	569571973	/nfs/dbraw/zinc/57/19/73/569571973.db2.gz	CHZDRLCOEPDHMX-AREMUKBSSA-N	0	0	438.527	5.845	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861342	569571974	/nfs/dbraw/zinc/57/19/74/569571974.db2.gz	VMKGWHZLRLLONO-XMMPIXPASA-N	0	0	443.374	6.691	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1	ZINC000009861358	569571995	/nfs/dbraw/zinc/57/19/95/569571995.db2.gz	FNGFQLCUZHNXMT-AREMUKBSSA-N	0	0	434.536	5.401	50	30		IKEARN
COc1ccccc1/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1OC	ZINC000009907447	569573111	/nfs/dbraw/zinc/57/31/11/569573111.db2.gz	DHRUPQPUPGPOQB-SHSCQTOKSA-N	0	0	434.492	5.652	50	30		IKEARN
COc1ccc(-c2cc(NC(=O)c3ccccc3-c3ccccc3C#N)ccc2OC)cc1	ZINC000009948987	569574190	/nfs/dbraw/zinc/57/41/90/569574190.db2.gz	ARTJZGPJWCPANL-UHFFFAOYSA-N	0	0	434.495	6.162	50	30		IKEARN
CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C#N)c2)cc1	ZINC000071328070	569575465	/nfs/dbraw/zinc/57/54/65/569575465.db2.gz	FKHNMLUEYXLTRD-UHFFFAOYSA-N	0	0	434.565	5.046	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009969607	569576090	/nfs/dbraw/zinc/57/60/90/569576090.db2.gz	DHZZBLSWDRXUME-QHCPKHFHSA-N	0	0	443.455	5.203	50	30		IKEARN
N#Cc1c(Oc2ccccc2)cc(Oc2ccccc2)cc1[S@](=O)Cc1ccccc1	ZINC000009971512	569576254	/nfs/dbraw/zinc/57/62/54/569576254.db2.gz	XBSSRYFBBYABKP-HKBQPEDESA-N	0	0	425.509	6.451	50	30		IKEARN
CCCC[S@@](=O)CSc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N	ZINC000009993077	569576953	/nfs/dbraw/zinc/57/69/53/569576953.db2.gz	FSCYKXRZYATRJC-PMERELPUSA-N	0	0	436.602	5.894	50	30		IKEARN
N#CC1(c2ccccc2)CCC2(CC1)Nc1ccccc1C(=O)N2c1ccc2c(c1)OCO2	ZINC000010037336	569577447	/nfs/dbraw/zinc/57/74/47/569577447.db2.gz	AQPVYWPKOKDXNY-UHFFFAOYSA-N	0	0	437.499	5.219	50	30		IKEARN
COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1[N+](=O)[O-]	ZINC000010212895	569578995	/nfs/dbraw/zinc/57/89/95/569578995.db2.gz	TVNZWNRVIUFECX-LSHDLFTRSA-N	0	0	437.308	5.870	50	30		IKEARN
Cc1cc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)no1	ZINC000010201669	569579000	/nfs/dbraw/zinc/57/90/00/569579000.db2.gz	LCEKOKZRQRRBJG-JTQLQIEISA-N	0	0	438.456	5.116	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H](c2cccs2)C(C)C)nnc1-c1ccc(Cl)cc1	ZINC000010240469	569579737	/nfs/dbraw/zinc/57/97/37/569579737.db2.gz	ZOPJZPDPQFOOER-LJQANCHMSA-N	0	0	447.029	5.452	50	30		IKEARN
C(=NN=c1[nH]c2ccccc2s1)c1cn(Cc2cccc3ccccc32)c2ccccc12	ZINC000001838758	569582745	/nfs/dbraw/zinc/58/27/45/569582745.db2.gz	IKFALNIBCDDJDT-LQKURTRISA-N	0	0	432.552	6.899	50	30		IKEARN
O=c1oc2ccc3ccccc3c2cc1-c1csc(N=NCc2ccc([N+](=O)[O-])cc2)n1	ZINC000008934332	569584215	/nfs/dbraw/zinc/58/42/15/569584215.db2.gz	GLRDPQZDDBSERX-WYMPLXKRSA-N	0	0	442.456	5.424	50	30		IKEARN
O=[N+]([O-])c1ccc(Cn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1	ZINC000001863679	569584238	/nfs/dbraw/zinc/58/42/38/569584238.db2.gz	WUGAGDSCLUBIAR-ZMOGYAJESA-N	0	0	427.489	5.654	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000031994693	569584393	/nfs/dbraw/zinc/58/43/93/569584393.db2.gz	YVCXIROPPVUFHA-NNHPPCHPSA-N	0	0	441.556	6.467	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000031994697	569584444	/nfs/dbraw/zinc/58/44/44/569584444.db2.gz	YVCXIROPPVUFHA-KVILUOORSA-N	0	0	441.556	6.467	50	30		IKEARN
Cc1cccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1	ZINC000001312136	569584463	/nfs/dbraw/zinc/58/44/63/569584463.db2.gz	CRBBHMZATKZPNQ-WGOQTCKBSA-N	0	0	426.545	6.084	50	30		IKEARN
Clc1ccc(Cl)c(OCCn2cccc2C=NN=c2[nH]c3ccccc3s2)c1	ZINC000013749933	569585089	/nfs/dbraw/zinc/58/50/89/569585089.db2.gz	XSTIGKACDKVNFP-YDZHTSKRSA-N	0	0	431.348	5.930	50	30		IKEARN
O=C1C=CC=C/C1=C\C=c1ccc(=C2C=C(c3ccccc3)C=C(c3ccccc3)O2)cc1	ZINC000409415901	569588143	/nfs/dbraw/zinc/58/81/43/569588143.db2.gz	OKJYKDQIGPYCKE-TWVFTPEFSA-N	0	0	426.515	5.352	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(C(=O)OC)cc1N	ZINC000101013952	569588196	/nfs/dbraw/zinc/58/81/96/569588196.db2.gz	ZTGYQWRFYXBREN-UHFFFAOYSA-N	0	0	439.662	6.310	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12	ZINC000003978650	290671221	/nfs/dbraw/zinc/67/12/21/290671221.db2.gz	FVWJYYTZTCVBKE-ROUWMTJPSA-N	0	0	442.728	6.997	50	30	biogenic,in-vivo	IKEARN
Cc1sc2nc(SCC(=O)[C@H](C#N)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C	ZINC000009164942	120800067	/nfs/dbraw/zinc/80/00/67/120800067.db2.gz	YIPKUUCMKLNCEH-LJQANCHMSA-N	0	0	445.569	5.033	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1	ZINC000013286190	121382488	/nfs/dbraw/zinc/38/24/88/121382488.db2.gz	LBIKVCOQQOZPGS-YJOHERITSA-N	0	0	444.025	6.504	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc(C)cc1C	ZINC000030738673	122584811	/nfs/dbraw/zinc/58/48/11/122584811.db2.gz	HHGWGMCWHDRVFN-QDJRPKQISA-N	0	0	437.634	6.468	50	30		IKEARN
CCN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2C)N(C2CCCCC2)C1=O	ZINC000100200945	123466061	/nfs/dbraw/zinc/46/60/61/123466061.db2.gz	WYXLHZWQWIZYQB-SLJQUXCSSA-N	0	0	449.645	6.692	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccccc1OC	ZINC000102149046	123570927	/nfs/dbraw/zinc/57/09/27/123570927.db2.gz	JNEWENXKRSZFDP-QUOYTPRUSA-N	0	0	445.997	5.733	50	30		IKEARN
CC[C@@H]1CCc2nc(SCC(=O)NCc3ccc(C)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000000663956	193877516	/nfs/dbraw/zinc/87/75/16/193877516.db2.gz	RSFSCTBSJSRHFF-OAHLLOKOSA-N	0	0	447.526	5.204	50	30		IKEARN
N#Cc1c2c(c(N3CCCCC3)nc1NCc1ccccc1)CN(Cc1ccccc1)CC2	ZINC000002226419	132249378	/nfs/dbraw/zinc/24/93/78/132249378.db2.gz	NBNCABAWPOLTBB-UHFFFAOYSA-N	0	0	437.591	5.114	50	30		IKEARN
Cc1cccc(OCc2ccc(-c3nc(C#N)c(N4CCN(c5ccccc5)CC4)o3)o2)c1	ZINC000008614957	132288646	/nfs/dbraw/zinc/28/86/46/132288646.db2.gz	XJYZMVCCVQFYOI-UHFFFAOYSA-N	0	0	440.503	5.020	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cc(Cl)ccc1-n1cncn1	ZINC000009254050	518196833	/nfs/dbraw/zinc/19/68/33/518196833.db2.gz	HXCRLDWOASRWCN-UHFFFAOYSA-N	0	0	431.908	5.196	50	30		IKEARN
Brc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1	ZINC000006446832	518218234	/nfs/dbraw/zinc/21/82/34/518218234.db2.gz	VXWVVGAYIPTIMX-ZMOGYAJESA-N	0	0	443.308	5.382	50	30		IKEARN
C#CCCCCCCCCC(=O)O[C@H]1OCCO[C@H]1OC(=O)CCCCCCCCC#C	ZINC000012559366	518247259	/nfs/dbraw/zinc/24/72/59/518247259.db2.gz	VIBSGKFRYYRQHJ-WMPKNSHKSA-N	0	0	448.600	5.280	50	30		IKEARN
C(=N/OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1)\c1ccccc1	ZINC000009035677	518378873	/nfs/dbraw/zinc/37/88/73/518378873.db2.gz	MPRFJERJJOVHRU-MUFRIFMGSA-N	0	0	445.482	5.755	50	30		IKEARN
C/C(=N/OCc1cccc(F)c1)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C	ZINC000035843429	518457216	/nfs/dbraw/zinc/45/72/16/518457216.db2.gz	GKKGELWVQXBLCN-LQNQUEJISA-N	0	0	434.461	6.811	50	30		IKEARN
C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843451	518457272	/nfs/dbraw/zinc/45/72/72/518457272.db2.gz	VTIODPHLUKWRFN-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000036026018	518460100	/nfs/dbraw/zinc/46/01/00/518460100.db2.gz	MNOLWTJPNGKKBZ-PSQINSSGSA-N	0	0	448.364	5.216	50	30		IKEARN
C/C(=N\N=c1/scc(-c2cccc([N+](=O)[O-])c2)n1-c1ccccc1)c1ccc(Cl)cc1	ZINC000009369236	518461501	/nfs/dbraw/zinc/46/15/01/518461501.db2.gz	MUKOVGSSZRZHGH-IYLGLBRYSA-N	0	0	448.935	6.092	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Br)cc2)nc2ccccc21)c1ccc(F)cc1	ZINC000012343289	518464579	/nfs/dbraw/zinc/46/45/79/518464579.db2.gz	QRBVEFPVPBHQHD-MZJWZYIUSA-N	0	0	435.300	6.035	50	30		IKEARN
CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1	ZINC000033906730	518466818	/nfs/dbraw/zinc/46/68/18/518466818.db2.gz	ZSXWMYUORRBFDB-OGLMXYFKSA-N	0	0	443.348	6.409	50	30		IKEARN
CC(N=Nc1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1)c1ccccc1	ZINC000012343319	518466959	/nfs/dbraw/zinc/46/69/59/518466959.db2.gz	PFJZJDFZFFGGRA-OGLMXYFKSA-N	0	0	443.348	6.409	50	30		IKEARN
C/C(=N\Nc1ncc(-c2cc3cc(Br)ccc3oc2=O)s1)c1ccccc1	ZINC000008952558	518467923	/nfs/dbraw/zinc/46/79/23/518467923.db2.gz	BUCXYSPJWVWKMS-FSJBWODESA-N	0	0	440.322	5.515	50	30		IKEARN
CC(N=Nc1nnc(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1)c1ccccc1	ZINC000008626854	518468095	/nfs/dbraw/zinc/46/80/95/518468095.db2.gz	OTYACJKZROBNFJ-DFKUXCBWSA-N	0	0	440.550	7.314	50	30		IKEARN
C/C(=N\OC(=O)c1cc(Cl)cc(Cl)c1)c1sc2nc(C(F)(F)F)nn2c1C	ZINC000013469763	518470019	/nfs/dbraw/zinc/47/00/19/518470019.db2.gz	DUTPCXRBRJSHFS-TXNBCWFRSA-N	0	0	437.230	5.006	50	30		IKEARN
C/C(=N\OCc1cccc(C(=O)/N=S(/C)c2ccc(C)cc2)c1)c1ccc(Cl)cc1	ZINC000012367262	518471548	/nfs/dbraw/zinc/47/15/48/518471548.db2.gz	WLIUNBBXCNVURV-NLRVBDNBSA-N	0	0	438.980	6.220	50	30		IKEARN
CC(C)(C)C1CCC(C(=O)On2c(=O)c3ccccc3nc2-c2cccc(Cl)c2)CC1	ZINC000027527719	518603474	/nfs/dbraw/zinc/60/34/74/518603474.db2.gz	VXRHAXVEDKKOIH-UHFFFAOYSA-N	0	0	438.955	5.525	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)NCc3ccccc3)c2c1	ZINC000015880519	518616225	/nfs/dbraw/zinc/61/62/25/518616225.db2.gz	NEGPJEVFKUWBMS-UHFFFAOYSA-N	0	0	427.500	5.993	50	30		IKEARN
C=C(C)CSc1nnc(SCc2csc(N(C(C)=O)c3ccccc3)n2)s1	ZINC000013008922	518626552	/nfs/dbraw/zinc/62/65/52/518626552.db2.gz	JTMRUVYKWPYMIL-UHFFFAOYSA-N	0	0	434.637	5.640	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@H]12	ZINC000253502201	518645113	/nfs/dbraw/zinc/64/51/13/518645113.db2.gz	MQYXUWHLBZFQQO-DSNXNGCTSA-N	0	0	426.729	8.025	50	30		IKEARN
C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@H]1O	ZINC000038791508	518656685	/nfs/dbraw/zinc/65/66/85/518656685.db2.gz	ZGLHBRQAEXKACO-MWNGSTQJSA-N	0	0	428.657	5.727	50	30		IKEARN
C=CCCC(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCCCO2)C1	ZINC000012327404	518693834	/nfs/dbraw/zinc/69/38/34/518693834.db2.gz	CEPHYRMQGZVQQA-OAQYLSRUSA-N	0	0	441.593	5.359	50	30		IKEARN
C=CCC[C@@H](O)CN(CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1	ZINC000036302902	518716020	/nfs/dbraw/zinc/71/60/20/518716020.db2.gz	UABWIEOZAYPQEW-HSZRJFAPSA-N	0	0	449.595	5.003	50	30		IKEARN
C=CCN(C(=O)Cn1c2cnccc2nc1SCc1cc(C)ccc1C)c1ccccc1	ZINC000008913104	518735267	/nfs/dbraw/zinc/73/52/67/518735267.db2.gz	JYTDNKVEWRVEOB-UHFFFAOYSA-N	0	0	442.588	5.560	50	30		IKEARN
C=CCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1	ZINC000009433153	518737182	/nfs/dbraw/zinc/73/71/82/518737182.db2.gz	SNTCFGIOXNQWRE-LOSJGSFVSA-N	0	0	444.600	5.904	50	30		IKEARN
C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)Nc1c(C)cccc1C	ZINC000035766241	518744850	/nfs/dbraw/zinc/74/48/50/518744850.db2.gz	UZVSJUQLUGCNOM-UHFFFAOYSA-N	0	0	445.563	5.188	50	30		IKEARN
C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1Cl	ZINC000012446503	518769110	/nfs/dbraw/zinc/76/91/10/518769110.db2.gz	VCNHUIBYONLTNY-UHFFFAOYSA-N	0	0	439.968	5.633	50	30		IKEARN
C=CCN(CC=C)C(=O)c1sc2nc(C)cc(C)c2c1NC(=O)/C=C/c1ccccc1	ZINC000012446502	518769236	/nfs/dbraw/zinc/76/92/36/518769236.db2.gz	IVDILTODMYQTPC-OUKQBFOZSA-N	0	0	431.561	5.379	50	30		IKEARN
C=CCN(Cc1cccn1Cc1cccc(OC)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	ZINC000035729269	518787849	/nfs/dbraw/zinc/78/78/49/518787849.db2.gz	KMDGLWMKABXJCI-UHFFFAOYSA-N	0	0	444.362	6.072	50	30		IKEARN
C=CCN(Cc1csc(COc2cc(C)cc(C)c2C)n1)C(=O)c1ccc(Cl)cc1	ZINC000036106157	518795536	/nfs/dbraw/zinc/79/55/36/518795536.db2.gz	AJRPGYYFZADRNF-UHFFFAOYSA-N	0	0	440.996	6.129	50	30		IKEARN
C=CCN(Cc1nccn1Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1	ZINC000035979724	518800458	/nfs/dbraw/zinc/80/04/58/518800458.db2.gz	WMYNBQKSTBTKMX-UHFFFAOYSA-N	0	0	434.754	5.720	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(C)c2C)c1	ZINC000003023102	518817803	/nfs/dbraw/zinc/81/78/03/518817803.db2.gz	MFYBZSGHIZDOHY-UHFFFAOYSA-N	0	0	438.524	5.076	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)SC1=S	ZINC000013941875	518826507	/nfs/dbraw/zinc/82/65/07/518826507.db2.gz	LHEKEQJRTNAVRD-HAHDFKILSA-N	0	0	447.581	5.815	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S	ZINC000019800535	518834313	/nfs/dbraw/zinc/83/43/13/518834313.db2.gz	BBABVYNQFCBUHX-CPNJWEJPSA-N	0	0	437.977	5.580	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1c(C)cccc1C	ZINC000000992349	518845888	/nfs/dbraw/zinc/84/58/88/518845888.db2.gz	TVEUZCVLQJDPAK-ZJJRIXMCSA-N	0	0	435.593	5.573	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2-c2ccccc2S1(=O)=O	ZINC000033271929	518875795	/nfs/dbraw/zinc/87/57/95/518875795.db2.gz	PBBVZUIFQCKNIH-UHFFFAOYSA-N	0	0	442.899	5.093	50	30		IKEARN
C=CCNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(C)cc1	ZINC000009095218	518884518	/nfs/dbraw/zinc/88/45/18/518884518.db2.gz	JIRNOIFZFASTCI-MUUNZHRXSA-N	0	0	449.554	5.381	50	30		IKEARN
C=CCNC(=O)CSc1nnc(Cc2cccc3ccccc32)n1-c1ccc(C)cc1C	ZINC000012609097	518899722	/nfs/dbraw/zinc/89/97/22/518899722.db2.gz	NMBKBKIZAVZCJG-UHFFFAOYSA-N	0	0	442.588	5.022	50	30		IKEARN
C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)N[C@H](C)c2ccccc2)c1	ZINC000037600794	518902876	/nfs/dbraw/zinc/90/28/76/518902876.db2.gz	WRFOTTVMVDAMPF-HXUWFJFHSA-N	0	0	445.538	5.148	50	30		IKEARN
C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)N[C@@H](C)c2ccccc2)cc1	ZINC000034680145	518903178	/nfs/dbraw/zinc/90/31/78/518903178.db2.gz	SKKPBGOIJDORAO-QFIPXVFZSA-N	0	0	441.575	5.317	50	30		IKEARN
C=CCNC(=O)c1sc2nc(C)c(Cl)c(C)c2c1NC(=O)c1ccc(Cl)cc1	ZINC000012444705	518947236	/nfs/dbraw/zinc/94/72/36/518947236.db2.gz	PATZEHKTCHBHLH-UHFFFAOYSA-N	0	0	434.348	5.388	50	30		IKEARN
C=CCNc1nc(SCC(C)=O)nc2nnc(-c3ccccc3)c(-c3ccccc3)c21	ZINC000019897630	518964257	/nfs/dbraw/zinc/96/42/57/518964257.db2.gz	WPQKRQAYJYMVDC-UHFFFAOYSA-N	0	0	427.533	5.033	50	30		IKEARN
C=CCOC(=O)c1sc(NC(=O)c2sc3cccc(Cl)c3c2Cl)nc1C	ZINC000013426791	518979504	/nfs/dbraw/zinc/97/95/04/518979504.db2.gz	PIBJTKUWLMILKX-UHFFFAOYSA-N	0	0	427.334	5.568	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Br)cc4)cc3o2)cc1	ZINC000102417440	519009274	/nfs/dbraw/zinc/00/92/74/519009274.db2.gz	CMEGZBOVUCXIRX-CVKSISIWSA-N	0	0	433.349	7.305	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3ccc(/N=C/c4ccc(Cl)c([N+](=O)[O-])c4)cc3o2)cc1	ZINC000102417431	519009815	/nfs/dbraw/zinc/00/98/15/519009815.db2.gz	WKKUAIKZLMRIAP-VULFUBBASA-N	0	0	433.895	7.105	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000008396177	519015335	/nfs/dbraw/zinc/01/53/35/519015335.db2.gz	ZOXAJRNZBHQPAZ-ZEHKLFRWSA-N	0	0	440.568	6.677	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000027534766	519015515	/nfs/dbraw/zinc/01/55/15/519015515.db2.gz	IPFXDCQCLKYLTJ-DZNDYGJHSA-N	0	0	426.541	6.056	50	30		IKEARN
C=CCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1	ZINC000009374609	519018264	/nfs/dbraw/zinc/01/82/64/519018264.db2.gz	MCVMEIZKSYOKKH-NKFKGCMQSA-N	0	0	436.536	5.203	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)O/N=C2\CCCC[C@H]2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000008781567	519024415	/nfs/dbraw/zinc/02/44/15/519024415.db2.gz	IHZNGCXIKMSNGQ-XFBWPPDYSA-N	0	0	439.468	5.671	50	30		IKEARN
C=CCOc1ccc(C(=O)Oc2cc3sc(=O)oc3c(-c3ccc(OC)cc3)c2)cc1	ZINC000009430711	519028235	/nfs/dbraw/zinc/02/82/35/519028235.db2.gz	BMGIIAJHHAHCHM-UHFFFAOYSA-N	0	0	434.469	5.314	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1	ZINC000012194185	519029669	/nfs/dbraw/zinc/02/96/69/519029669.db2.gz	RITAFLIKEAQDTQ-IAPPQJPRSA-N	0	0	438.571	6.791	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCC)cc2)cc1	ZINC000012194202	519029849	/nfs/dbraw/zinc/02/98/49/519029849.db2.gz	TXIIIWIVKKBGTQ-XNMGPUDCSA-N	0	0	426.516	5.892	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1	ZINC000012194191	519030167	/nfs/dbraw/zinc/03/01/67/519030167.db2.gz	RITAFLIKEAQDTQ-IXCJQBJRSA-N	0	0	438.571	6.791	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(OCC)cc2)cc1	ZINC000009215968	519030584	/nfs/dbraw/zinc/03/05/84/519030584.db2.gz	TXIIIWIVKKBGTQ-BDYUSTAISA-N	0	0	426.516	5.892	50	30		IKEARN
C=CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(OC)cc4)csc32)cc1OCC	ZINC000046076267	519043705	/nfs/dbraw/zinc/04/37/05/519043705.db2.gz	LAZCWWLVENINBA-IBGZPJMESA-N	0	0	435.545	5.861	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccn2)cc1	ZINC000013570405	519048334	/nfs/dbraw/zinc/04/83/34/519048334.db2.gz	WFQNFNYXSFIFKB-JOCHJYFZSA-N	0	0	446.934	5.815	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1	ZINC000010233176	519059240	/nfs/dbraw/zinc/05/92/40/519059240.db2.gz	SWZZLHQBPWRKOK-OAQYLSRUSA-N	0	0	444.512	5.181	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1	ZINC000009187476	519060348	/nfs/dbraw/zinc/06/03/48/519060348.db2.gz	VBUQIEMARLVDCX-HSZRJFAPSA-N	0	0	442.471	5.021	50	30		IKEARN
C=CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1	ZINC000009187475	519061763	/nfs/dbraw/zinc/06/17/63/519061763.db2.gz	VBUQIEMARLVDCX-QHCPKHFHSA-N	0	0	442.471	5.021	50	30		IKEARN
C=CCOc1ccccc1[C@@H]1CC(=O)Nc2c1c(C)nn2-c1nc2ccc(C)cc2s1	ZINC000033271471	519072604	/nfs/dbraw/zinc/07/26/04/519072604.db2.gz	RDSDHBQRIHOBTQ-KRWDZBQOSA-N	0	0	430.533	5.138	50	30		IKEARN
C=CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1	ZINC000006054353	519076482	/nfs/dbraw/zinc/07/64/82/519076482.db2.gz	XEBUKTNTMJPBNP-ATVHPVEESA-N	0	0	446.391	5.918	50	30		IKEARN
C=CCSc1nc2ccc(/N=C/c3ccc(I)o3)cc2s1	ZINC000002176678	519082152	/nfs/dbraw/zinc/08/21/52/519082152.db2.gz	VGAQLFTUVZXDDQ-RQZCQDPDSA-N	0	0	426.304	5.523	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(-c3ccc(F)cc3)o1)Nc1ccccc1-2	ZINC000002977379	519092412	/nfs/dbraw/zinc/09/24/12/519092412.db2.gz	FHPRVLSVNOPMIM-OAQYLSRUSA-N	0	0	432.480	5.719	50	30		IKEARN
C=CCc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1OC	ZINC000012652783	519126699	/nfs/dbraw/zinc/12/66/99/519126699.db2.gz	ATVFAOIDIAAAQS-ZDLGFXPLSA-N	0	0	449.956	5.631	50	30		IKEARN
C=CCc1ccccc1OCCOc1ccc(C)cc1/C=C1/N=C(c2ccccc2)OC1=O	ZINC000013939999	519145712	/nfs/dbraw/zinc/14/57/12/519145712.db2.gz	HJGMVGQIIYVIKR-LYBHJNIJSA-N	0	0	439.511	5.526	50	30		IKEARN
C=CCn1c(-c2ccccc2)cs/c1=N/N=c1\scc(-c2ccccc2)n1CC=C	ZINC000002676671	519149564	/nfs/dbraw/zinc/14/95/64/519149564.db2.gz	LSOKARJYSPXDOU-MJPLYFDISA-N	0	0	430.602	5.535	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1cccc(Cl)c1	ZINC000008642662	519150465	/nfs/dbraw/zinc/15/04/65/519150465.db2.gz	ARUREGWTVFLOKD-RFBIWTDZSA-N	0	0	445.975	6.541	50	30		IKEARN
C=CCn1c(=O)c2c(-c3cccs3)csc2nc1SCc1ccc([N+](=O)[O-])cc1	ZINC000013059147	519154138	/nfs/dbraw/zinc/15/41/38/519154138.db2.gz	FNTNBJJJULERHH-UHFFFAOYSA-N	0	0	441.559	5.573	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Br)cc1)CCCC3	ZINC000002446874	519159216	/nfs/dbraw/zinc/15/92/16/519159216.db2.gz	LNSLAJSOCVTBMZ-UHFFFAOYSA-N	0	0	447.423	5.578	50	30		IKEARN
C=CCn1c(=O)c2sc(-c3ccccc3)cc2nc1SCc1nc(-c2ccco2)no1	ZINC000012753980	519162975	/nfs/dbraw/zinc/16/29/75/519162975.db2.gz	QBNUWZDXZXOYFU-UHFFFAOYSA-N	0	0	448.529	5.246	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1c[nH]c2ccccc21	ZINC000002660735	519184836	/nfs/dbraw/zinc/18/48/36/519184836.db2.gz	FLMQLEJEVTVLOP-UHFFFAOYSA-N	0	0	438.940	5.153	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@H](C)C(=O)c1ccc(C)c(C)c1	ZINC000013120697	519187091	/nfs/dbraw/zinc/18/70/91/519187091.db2.gz	IVJIROOSUJJIMZ-QGZVFWFLSA-N	0	0	425.529	5.163	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1SC/C(=C/C(=O)C(C)(C)C)C(C)(C)C	ZINC000058174710	519189477	/nfs/dbraw/zinc/18/94/77/519189477.db2.gz	OTKWGKUNSANVAC-VKAVYKQESA-N	0	0	445.604	5.862	50	30		IKEARN
C=CCN1C(=S)N=NC1c1sc(NC(=O)c2ccc(C3CCCCC3)cc2)nc1C	ZINC000012736553	519197888	/nfs/dbraw/zinc/19/78/88/519197888.db2.gz	HIDHERFTZFITPU-UHFFFAOYSA-N	0	0	439.610	5.485	50	30		IKEARN
C=CCn1c(SC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1	ZINC000001821529	519197925	/nfs/dbraw/zinc/19/79/25/519197925.db2.gz	FEDGBLCZXGKHJA-UHFFFAOYSA-N	0	0	442.569	6.646	50	30		IKEARN
C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccnc1	ZINC000020829922	519200128	/nfs/dbraw/zinc/20/01/28/519200128.db2.gz	WKELEQFJIKSXKD-UHFFFAOYSA-N	0	0	439.629	5.112	50	30		IKEARN
C=CCn1c(SCC(=O)N[C@@H](C)CCC)nc2sc(-c3ccccc3)c(C)c2c1=O	ZINC000012801964	519208729	/nfs/dbraw/zinc/20/87/29/519208729.db2.gz	PIKANEIOZXDDNR-HNNXBMFYSA-N	0	0	441.622	5.016	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccccc1Cl	ZINC000002450678	519213260	/nfs/dbraw/zinc/21/32/60/519213260.db2.gz	UAWMEQXXSLVNBZ-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1cc2ccccc2o1	ZINC000010675377	519215372	/nfs/dbraw/zinc/21/53/72/519215372.db2.gz	BEMQWCYTUCLTOS-UHFFFAOYSA-N	0	0	438.940	5.570	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3cccnc32)nnc1-c1ccc(Cl)cc1	ZINC000012789791	519222206	/nfs/dbraw/zinc/22/22/06/519222206.db2.gz	FCBUPLSJXNPJQS-UHFFFAOYSA-N	0	0	435.940	5.064	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)nnc1-c1ccoc1C	ZINC000009582956	519229686	/nfs/dbraw/zinc/22/96/86/519229686.db2.gz	YURDFHNESPVJKY-UHFFFAOYSA-N	0	0	432.549	5.415	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)nnc1C1CCCCC1	ZINC000013028380	519229877	/nfs/dbraw/zinc/22/98/77/519229877.db2.gz	VIMDWTMXQPRABY-FQEVSTJZSA-N	0	0	442.629	5.084	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)c(C)c(C)c2)nc2sc3c(c2c1=O)CCCC3	ZINC000002679411	519230460	/nfs/dbraw/zinc/23/04/60/519230460.db2.gz	FXUQBAZPYUSZCX-UHFFFAOYSA-N	0	0	438.618	5.423	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC	ZINC000009594511	519230506	/nfs/dbraw/zinc/23/05/06/519230506.db2.gz	KLMAUJOKIUCREE-UHFFFAOYSA-N	0	0	441.556	5.782	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)OC)cc2)nc2scc(-c3ccccc3)c2c1=O	ZINC000003251349	519238442	/nfs/dbraw/zinc/23/84/42/519238442.db2.gz	OKGVBTGOTSYDCX-UHFFFAOYSA-N	0	0	448.569	5.390	50	30		IKEARN
C=CCn1c(SCc2ccc(OC)c(F)c2)nnc1-c1ccc(Br)cc1	ZINC000009439367	519239949	/nfs/dbraw/zinc/23/99/49/519239949.db2.gz	WCOZBAJPZKGSLX-UHFFFAOYSA-N	0	0	434.334	5.334	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009497617	519240157	/nfs/dbraw/zinc/24/01/57/519240157.db2.gz	ZVADSQGUTJGYEF-UHFFFAOYSA-N	0	0	432.420	7.028	50	30		IKEARN
C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(F)cc3)c2c1=O	ZINC000001096617	519247122	/nfs/dbraw/zinc/24/71/22/519247122.db2.gz	MNBXINIBNOMQQR-UHFFFAOYSA-N	0	0	429.567	5.507	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)c2c(C)[nH]c3ccccc32)nnc1-c1ccccc1OC	ZINC000013113282	519253692	/nfs/dbraw/zinc/25/36/92/519253692.db2.gz	SBHISCJGSCUUHI-INIZCTEOSA-N	0	0	432.549	5.293	50	30		IKEARN
CC(C)C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000012856320	519259766	/nfs/dbraw/zinc/25/97/66/519259766.db2.gz	BEFUWMVQNXRZDW-AFJIDDCJSA-N	0	0	438.571	7.337	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C/c3cc(Cl)c(OC)c(OC)c3)c12	ZINC000012695405	519265810	/nfs/dbraw/zinc/26/58/10/519265810.db2.gz	WUVIZMHXRPVSSK-ZHACJKMWSA-N	0	0	435.911	5.350	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1	ZINC000009609739	519267270	/nfs/dbraw/zinc/26/72/70/519267270.db2.gz	NAMDDMJRMHHDQM-KRWDZBQOSA-N	0	0	448.617	5.330	50	30		IKEARN
C=CCn1c2ccccc2n2nc(C)c(C(=O)/C=C\c3cc(Cl)c(OC)c(OC)c3)c12	ZINC000096925847	519267965	/nfs/dbraw/zinc/26/79/65/519267965.db2.gz	WUVIZMHXRPVSSK-KHPPLWFESA-N	0	0	435.911	5.350	50	30		IKEARN
C=CCn1cc(OC(=O)c2ccccc2)c2c3nc4ccccc4n3c(-c3ccccc3)nc21	ZINC000002453308	519283502	/nfs/dbraw/zinc/28/35/02/519283502.db2.gz	ONKNLWWQGGGVSA-UHFFFAOYSA-N	0	0	444.494	5.909	50	30		IKEARN
CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1	ZINC000012149824	519345220	/nfs/dbraw/zinc/34/52/20/519345220.db2.gz	ABCAFUMKOZACJB-UHFFFAOYSA-N	0	0	446.550	5.993	50	30		IKEARN
CC(=O)/C(=N\Nc1cccc(C)c1)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000001824208	519353010	/nfs/dbraw/zinc/35/30/10/519353010.db2.gz	JBTUNFLRDJYKFS-SLEBQGDGSA-N	0	0	427.533	5.349	50	30		IKEARN
CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(Oc2ccccc2)c1	ZINC000012856300	519406024	/nfs/dbraw/zinc/40/60/24/519406024.db2.gz	BEFUWMVQNXRZDW-OLILMLBXSA-N	0	0	438.571	7.337	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1cccc(C)c1C	ZINC000012971730	519474041	/nfs/dbraw/zinc/47/40/41/519474041.db2.gz	PCDXDIXRGJAOJW-VAWYXSNFSA-N	0	0	444.478	6.359	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2cc(Cl)ccc2Cl)cs1)c1cccc(C)c1C	ZINC000013004639	519474351	/nfs/dbraw/zinc/47/43/51/519474351.db2.gz	JWKVXIWFKUSJAL-CSKARUKUSA-N	0	0	445.371	6.647	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccco1	ZINC000012381904	519476923	/nfs/dbraw/zinc/47/69/23/519476923.db2.gz	QMJDXUNAWVEDGN-NIYFSFCBSA-N	0	0	426.516	5.836	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000017163298	519583205	/nfs/dbraw/zinc/58/32/05/519583205.db2.gz	VUJKUSLQOGJVTJ-VWLOTQADSA-N	0	0	447.535	5.784	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009008062	519583881	/nfs/dbraw/zinc/58/38/81/519583881.db2.gz	HPKWGWGFCANSHR-VWLOTQADSA-N	0	0	447.535	5.784	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1	ZINC000001481047	519640433	/nfs/dbraw/zinc/64/04/33/519640433.db2.gz	MAZMYUIRJFIAFD-MMTVBGGISA-N	0	0	440.518	6.055	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@@H]3CC[C@@]21C	ZINC000257350704	519645719	/nfs/dbraw/zinc/64/57/19/519645719.db2.gz	ZJFYDPFCQFKJHC-KPZHCCQSSA-N	0	0	430.677	7.740	50	30		IKEARN
CC(C)CCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)Cc1ccccc1C#N	ZINC000035841200	519652670	/nfs/dbraw/zinc/65/26/70/519652670.db2.gz	GUVLCCNFQPGFNR-UHFFFAOYSA-N	0	0	439.525	6.475	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1	ZINC000014606050	519734628	/nfs/dbraw/zinc/73/46/28/519734628.db2.gz	FFFJCFKUYPGQSU-SANMLTNESA-N	0	0	449.570	5.214	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1	ZINC000253505641	519757848	/nfs/dbraw/zinc/75/78/48/519757848.db2.gz	VOETZVYTDQTIBX-BYSIFKIXSA-N	0	0	446.588	5.239	50	30	biogenic	IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@H]32)C1	ZINC000253505649	519757871	/nfs/dbraw/zinc/75/78/71/519757871.db2.gz	VOETZVYTDQTIBX-PRYWJBBPSA-N	0	0	446.588	5.239	50	30	biogenic	IKEARN
CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000036245398	519761976	/nfs/dbraw/zinc/76/19/76/519761976.db2.gz	NTITWBAYXKMOTE-BLEOTABNSA-N	0	0	442.584	6.526	50	30		IKEARN
CC(C)Oc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1	ZINC000013654447	519778583	/nfs/dbraw/zinc/77/85/83/519778583.db2.gz	HCQMJDSGYZKMNP-HKWRFOASSA-N	0	0	428.444	5.947	50	30		IKEARN
CC(C)Oc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccs2)cc1	ZINC000013568550	519781650	/nfs/dbraw/zinc/78/16/50/519781650.db2.gz	VNLHLXBIHDGYKZ-HFJWLAOPSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccs2)cc1	ZINC000013568553	519782017	/nfs/dbraw/zinc/78/20/17/519782017.db2.gz	VNLHLXBIHDGYKZ-DWXRJYCRSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccccc1	ZINC000015906392	519782060	/nfs/dbraw/zinc/78/20/60/519782060.db2.gz	KFHRCXTYVDIAPE-QHCPKHFHSA-N	0	0	426.438	5.949	50	30		IKEARN
CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000012629995	519782131	/nfs/dbraw/zinc/78/21/31/519782131.db2.gz	ZCMMOHVFOJDQGY-QRVIBDJDSA-N	0	0	428.513	5.735	50	30		IKEARN
CC(C)Oc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2	ZINC000013568545	519784918	/nfs/dbraw/zinc/78/49/18/519784918.db2.gz	XNPQQCZYFCCLKP-WGDIFIGCSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421947	519788648	/nfs/dbraw/zinc/78/86/48/519788648.db2.gz	WICGYMIPKFLOTE-CYBMUJFWSA-N	0	0	433.624	5.264	50	30		IKEARN
CC(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3cccs3)s2)cc1	ZINC000008867524	519834303	/nfs/dbraw/zinc/83/43/03/519834303.db2.gz	DSEOJZABDZMXKF-MFKUBSTISA-N	0	0	446.601	6.693	50	30		IKEARN
CC(C)c1ccc(CN(Cc2nc3sc4c(c3c(=O)n2CC#N)CCCC4)C2CC2)cc1	ZINC000057296820	519835778	/nfs/dbraw/zinc/83/57/78/519835778.db2.gz	IGSAAGVNYYTPEM-UHFFFAOYSA-N	0	0	446.620	5.148	50	30		IKEARN
CC(C)c1ccc(NC(=NC(=O)c2ccc(F)cc2)NCCc2c[nH]c3ccccc23)cc1	ZINC000032943367	519836705	/nfs/dbraw/zinc/83/67/05/519836705.db2.gz	JKEMKXREMUPQQP-UHFFFAOYSA-N	0	0	442.538	5.871	50	30		IKEARN
CC(C)c1ccc(OCc2ccc(/C=C/C(=O)c3ccc(Cc4ccccc4)s3)o2)cc1	ZINC000036611175	519838347	/nfs/dbraw/zinc/83/83/47/519838347.db2.gz	KKQTWSYDITWKDE-JQIJEIRASA-N	0	0	442.580	7.530	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000009374102	519840103	/nfs/dbraw/zinc/84/01/03/519840103.db2.gz	NFUIYLGWKYQGAO-UNMCSNQZSA-N	0	0	439.939	5.221	50	30		IKEARN
CC(C)c1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccccc3)C2)cc1	ZINC000009546509	519840234	/nfs/dbraw/zinc/84/02/34/519840234.db2.gz	ACPGPSJEZKUOPU-SKCUWOTOSA-N	0	0	433.555	6.575	50	30		IKEARN
CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000006720431	519870447	/nfs/dbraw/zinc/87/04/47/519870447.db2.gz	ZGGNOOHKJBNGBI-MHZLTWQESA-N	0	0	431.580	5.840	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(C)C	ZINC000098018030	519961530	/nfs/dbraw/zinc/96/15/30/519961530.db2.gz	KINBMIOQBDQNOC-UHFFFAOYSA-N	0	0	426.601	5.448	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl	ZINC000097950785	519963401	/nfs/dbraw/zinc/96/34/01/519963401.db2.gz	RSDDXNATUIZKTN-OAHLLOKOSA-N	0	0	434.622	6.578	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(C)c1)C(Cl)(Cl)Cl	ZINC000097950718	519963665	/nfs/dbraw/zinc/96/36/65/519963665.db2.gz	PXWLNWWENDKUQZ-INIZCTEOSA-N	0	0	438.852	5.454	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC	ZINC000014252121	519968872	/nfs/dbraw/zinc/96/88/72/519968872.db2.gz	YYMMCKTYZLLVOG-SEYXRHQNSA-N	0	0	447.660	7.688	50	30		IKEARN
CCCCCCCC12CCC(C(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)(CC1)CC2	ZINC000002049160	519970654	/nfs/dbraw/zinc/97/06/54/519970654.db2.gz	JYTHJSOYGHZZCH-UHFFFAOYSA-N	0	0	429.604	7.832	50	30		IKEARN
CCCCCCCCCC(=O)N1CCC[C@H]1C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000102997945	519975829	/nfs/dbraw/zinc/97/58/29/519975829.db2.gz	PJGXVAWVRSRVFI-IBGZPJMESA-N	0	0	428.602	5.275	50	30		IKEARN
CCCCCCCCCC(=O)N[C@H](Nc1cccc2ccccc21)C(Cl)(Cl)Cl	ZINC000097950790	519977078	/nfs/dbraw/zinc/97/70/78/519977078.db2.gz	NUENIKSMRXNLSG-NRFANRHFSA-N	0	0	443.846	7.205	50	30		IKEARN
CCCCCCCCCCCC(=O)Nc1nnc(SCc2cccc(OC)c2)s1	ZINC000098021567	519984074	/nfs/dbraw/zinc/98/40/74/519984074.db2.gz	UEOQYAQLEZAYKZ-UHFFFAOYSA-N	0	0	435.659	6.698	50	30		IKEARN
CCCCCCCCCCCC1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000100723328	519986483	/nfs/dbraw/zinc/98/64/83/519986483.db2.gz	QVDQYWSCHHFLLV-UHFFFAOYSA-N	0	0	427.673	7.413	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N(CCCOC)CC(=O)Nc1cc(C)on1	ZINC000103000686	519987585	/nfs/dbraw/zinc/98/75/85/519987585.db2.gz	TZMSPZXNRJBFTO-UHFFFAOYSA-N	0	0	437.625	5.488	50	30		IKEARN
CCCCCCCCCCCCCC(Nc1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000070672739	519988305	/nfs/dbraw/zinc/98/83/05/519988305.db2.gz	CBPKWLIFGPUCSA-UHFFFAOYSA-N	0	0	441.616	6.104	50	30	biogenic	IKEARN
CCCCCCCCCCCCCC(=O)N[C@@H](NC(C)(C)C)C(Cl)(Cl)Cl	ZINC000097976978	519988639	/nfs/dbraw/zinc/98/86/39/519988639.db2.gz	DZKDTGRLPNLYGZ-SFHVURJKSA-N	0	0	429.904	6.888	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccccc1Cl	ZINC000033354495	519993019	/nfs/dbraw/zinc/99/30/19/519993019.db2.gz	DKYGDUUPMLBHGU-UHFFFAOYSA-N	0	0	438.096	8.097	50	30	biogenic	IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(SC)cc1	ZINC000100853202	519994457	/nfs/dbraw/zinc/99/44/57/519994457.db2.gz	FXWPOPNYLDEGAO-UHFFFAOYSA-N	0	0	434.734	8.792	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)C(=S)c1ccc(OC)c(OC)c1	ZINC000101017431	519998126	/nfs/dbraw/zinc/99/81/26/519998126.db2.gz	NKOAWBQSDCZAHN-UHFFFAOYSA-N	0	0	435.718	7.792	50	30		IKEARN
CCCCCCCCCCCCCCCCNc1ncnc2sc3c(c21)CCCC3	ZINC000096021482	520001995	/nfs/dbraw/zinc/00/19/95/520001995.db2.gz	NKULGBGRFQDMQW-UHFFFAOYSA-N	0	0	429.718	8.463	50	30		IKEARN
CCCCCCCCCCCCCCCCSc1ccc(C(=O)OC)cc1[N+](=O)[O-]	ZINC000101016067	520003930	/nfs/dbraw/zinc/00/39/30/520003930.db2.gz	XAZYSNBDKXUVIR-UHFFFAOYSA-N	0	0	437.646	7.955	50	30		IKEARN
CCCCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C)c1)C2=O	ZINC000008448972	520011890	/nfs/dbraw/zinc/01/18/90/520011890.db2.gz	DLJVZDBDEACPBV-UHFFFAOYSA-N	0	0	449.591	6.873	50	30		IKEARN
CCCCCCCCCCCCn1c(SCCC(C)C)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008425691	520014879	/nfs/dbraw/zinc/01/48/79/520014879.db2.gz	KWJPLUQAMNFFRD-UHFFFAOYSA-N	0	0	436.666	5.482	50	30		IKEARN
CCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCC	ZINC000077922757	520018457	/nfs/dbraw/zinc/01/84/57/520018457.db2.gz	BNQWRXQKMFZWNF-UHFFFAOYSA-N	0	0	426.682	7.915	50	30		IKEARN
CCCCCCCCCCOc1ccc(/C=C\C(=O)c2ccc(Br)cc2)cc1	ZINC000105929715	520021033	/nfs/dbraw/zinc/02/10/33/520021033.db2.gz	DMTUOWAZJDFZSU-UNOMPAQXSA-N	0	0	443.425	7.865	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2C)C1	ZINC000097953937	520028063	/nfs/dbraw/zinc/02/80/63/520028063.db2.gz	JVAONTSLNCYECV-HSZRJFAPSA-N	0	0	431.624	7.006	50	30		IKEARN
CCCCCCCCCOC(=O)c1c(N)n(-c2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000102818092	520028968	/nfs/dbraw/zinc/02/89/68/520028968.db2.gz	YPAQBKYKMFJKJN-UHFFFAOYSA-N	0	0	444.579	6.372	50	30		IKEARN
CCCCCCCCCSc1ncnc2c3cc4c(nc3sc21)CC(C)(C)OC4	ZINC000097951139	520029263	/nfs/dbraw/zinc/02/92/63/520029263.db2.gz	HJCOIRSTUPFQQS-UHFFFAOYSA-N	0	0	429.655	6.934	50	30		IKEARN
CCCCCCCCNC(=O)c1ccc(NC(=O)c2ccccc2Br)cc1	ZINC000003049971	520035748	/nfs/dbraw/zinc/03/57/48/520035748.db2.gz	HBDBVCQUXNQZNG-UHFFFAOYSA-N	0	0	431.374	5.792	50	30		IKEARN
CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC	ZINC000059479204	520038771	/nfs/dbraw/zinc/03/87/71/520038771.db2.gz	MIMDHDXOBDPUQW-UHFFFAOYSA-N	0	0	426.682	7.915	50	30		IKEARN
CCCCCCCCOc1ccc(/C=N/n2cnc3c4cc(OC)ccc4[nH]c3c2=O)cc1	ZINC000002274756	520044218	/nfs/dbraw/zinc/04/42/18/520044218.db2.gz	NJFMOJCCFWBABT-OGLMXYFKSA-N	0	0	446.551	5.508	50	30		IKEARN
CCCCCCCCSc1nc(C)nc2c3cc4c(nc3sc21)CC(C)(C)OC4	ZINC000053291931	520045469	/nfs/dbraw/zinc/04/54/69/520045469.db2.gz	XWMSZENHXGPICT-UHFFFAOYSA-N	0	0	429.655	6.852	50	30		IKEARN
CCCCCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(F)cc1	ZINC000050704708	520047186	/nfs/dbraw/zinc/04/71/86/520047186.db2.gz	DVORVOXRCXVUGB-UHFFFAOYSA-N	0	0	428.555	7.453	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)cc2)cc1	ZINC000244947651	520049725	/nfs/dbraw/zinc/04/97/25/520049725.db2.gz	DUORJTVBVQJQNS-QZFRTWIZSA-N	0	0	448.691	8.874	50	30	biogenic	IKEARN
CCCCCCCCn1cc(OC(=O)CCC)c2c3nc4ccccc4n3c(CCC)nc21	ZINC000097955841	520051290	/nfs/dbraw/zinc/05/12/90/520051290.db2.gz	PJVFTTOQYGMEIT-UHFFFAOYSA-N	0	0	448.611	6.856	50	30		IKEARN
CCCCCCCN(Cc1ccc(CC(C)(C)C)cc1)C(=O)Nc1ccc(F)cc1F	ZINC000036330844	520051998	/nfs/dbraw/zinc/05/19/98/520051998.db2.gz	QKJLDOBXDUVGEE-UHFFFAOYSA-N	0	0	430.583	7.558	50	30	investigational	IKEARN
CCCCCCCNC(=O)CCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	ZINC000059681914	520053258	/nfs/dbraw/zinc/05/32/58/520053258.db2.gz	MGGNTFJKZBVEHH-UHFFFAOYSA-N	0	0	449.664	7.093	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21	ZINC000002395971	520054231	/nfs/dbraw/zinc/05/42/31/520054231.db2.gz	JQDAUBHFDRHRGN-UHFFFAOYSA-N	0	0	435.959	5.510	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000101285174	520060413	/nfs/dbraw/zinc/06/04/13/520060413.db2.gz	GGPNJRMHXXUPKQ-HSZRJFAPSA-N	0	0	448.523	5.747	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21	ZINC000002376889	520062541	/nfs/dbraw/zinc/06/25/41/520062541.db2.gz	GDSACPYKDMDFFC-UHFFFAOYSA-N	0	0	432.524	5.292	50	30		IKEARN
CCCCCCCOc1cccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1	ZINC000070698690	520063683	/nfs/dbraw/zinc/06/36/83/520063683.db2.gz	GZOLCLJYUZVNFN-NUKVQWKISA-N	0	0	446.635	6.371	50	30	biogenic	IKEARN
CCCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3	ZINC000053319380	520065573	/nfs/dbraw/zinc/06/55/73/520065573.db2.gz	ZFDKBLLHPFZCGK-UHFFFAOYSA-N	0	0	447.673	7.848	50	30		IKEARN
CCCCCCCc1ccc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1	ZINC000100917918	520070528	/nfs/dbraw/zinc/07/05/28/520070528.db2.gz	HUNXAMJCNBVBKA-DEOSSOPVSA-N	0	0	429.560	5.941	50	30		IKEARN
CCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCCC)cn3)cc2)nc1	ZINC000100640664	520070588	/nfs/dbraw/zinc/07/05/88/520070588.db2.gz	YVKGLXHIFPHOOC-UHFFFAOYSA-N	0	0	428.664	8.836	50	30		IKEARN
CCCCCCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)c2ccccc2)cc1OC	ZINC000016035620	520105817	/nfs/dbraw/zinc/10/58/17/520105817.db2.gz	JZQUDYXBJCQZOK-QHCPKHFHSA-N	0	0	438.593	5.330	50	30		IKEARN
CCC(=[NH+]CCc1ccccc1)c1c(=O)n(-c2nc3ccccc3s2)[n-]c1C(F)(F)F	ZINC000100700502	520176099	/nfs/dbraw/zinc/17/60/99/520176099.db2.gz	XQDIFZJEMMZGMK-YSMPRRRNSA-N	0	0	444.482	5.236	50	30		IKEARN
CCC(=NOC(=O)Nc1cc(Cl)cc(Cl)c1)c1ccc(-c2ccccc2F)cc1	ZINC000012369200	520179542	/nfs/dbraw/zinc/17/95/42/520179542.db2.gz	ADZBNKGIVDPVME-SZXQPVLSSA-N	0	0	431.294	7.162	50	30		IKEARN
CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2C)C2=C1CC(C)(C)CC2=O	ZINC000004562816	520180311	/nfs/dbraw/zinc/18/03/11/520180311.db2.gz	AZLMWOPPVMGINQ-UHFFFAOYSA-N	0	0	433.636	6.871	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000002063671	520206211	/nfs/dbraw/zinc/20/62/11/520206211.db2.gz	YSOPWYFBRTXKDH-LJQANCHMSA-N	0	0	432.358	5.006	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000002073017	520208414	/nfs/dbraw/zinc/20/84/14/520208414.db2.gz	NEUHYIQTLUDKOE-KSFYIVLOSA-N	0	0	441.980	5.716	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1C(F)(F)F	ZINC000002055268	520228458	/nfs/dbraw/zinc/22/84/58/520228458.db2.gz	AYGHXYLBSIVJOB-OAQYLSRUSA-N	0	0	449.513	6.043	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1	ZINC000009310991	520256123	/nfs/dbraw/zinc/25/61/23/520256123.db2.gz	XHRDLOUUSUROGU-IBGZPJMESA-N	0	0	428.370	6.263	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Br)c1	ZINC000019418910	520257327	/nfs/dbraw/zinc/25/73/27/520257327.db2.gz	JCAWEFSPUMOZHL-UHFFFAOYSA-N	0	0	428.370	5.422	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000008544620	520257344	/nfs/dbraw/zinc/25/73/44/520257344.db2.gz	JAWWFVQQVILJMR-RUZDIDTESA-N	0	0	431.535	6.291	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(Cl)ccc1N[C@H]2c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000012856892	520260837	/nfs/dbraw/zinc/26/08/37/520260837.db2.gz	PYHDSFIVPNGLHK-FQEVSTJZSA-N	0	0	432.307	6.124	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)cc1	ZINC000009635939	520261029	/nfs/dbraw/zinc/26/10/29/520261029.db2.gz	FMSCHFWHVYOSSH-QFIPXVFZSA-N	0	0	432.361	6.803	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1ccccn1	ZINC000012384440	520261879	/nfs/dbraw/zinc/26/18/79/520261879.db2.gz	NLCMJXJYNAJVLZ-MHZLTWQESA-N	0	0	437.543	5.467	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2/C=C\c1ccccc1	ZINC000033780139	520262258	/nfs/dbraw/zinc/26/22/58/520262258.db2.gz	MEBYLSQVZSCHEG-FFFOYBKKSA-N	0	0	448.566	6.484	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1cccs1	ZINC000015826294	520262380	/nfs/dbraw/zinc/26/23/80/520262380.db2.gz	HNFFZLOPTYTOMB-JOCHJYFZSA-N	0	0	434.586	6.266	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccc(F)cc1	ZINC000021722166	520262387	/nfs/dbraw/zinc/26/23/87/520262387.db2.gz	ZANWQEGAPSFBSQ-RUZDIDTESA-N	0	0	447.554	6.094	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1	ZINC000000997340	520262647	/nfs/dbraw/zinc/26/26/47/520262647.db2.gz	NZUPJUOBQUUWIH-XMMPIXPASA-N	0	0	446.934	6.390	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@@H]2c1ccccc1	ZINC000021722087	520262824	/nfs/dbraw/zinc/26/28/24/520262824.db2.gz	AAXDOSGNAXKKMX-RUZDIDTESA-N	0	0	429.564	5.955	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)Nc1ccccc1)[C@@H]2c1ccco1	ZINC000020503211	520263884	/nfs/dbraw/zinc/26/38/84/520263884.db2.gz	JMKHRWRTKOJKCW-AREMUKBSSA-N	0	0	441.531	5.535	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(Cc1ccccc1)[C@H]2c1ccccc1Cl	ZINC000009313317	520266380	/nfs/dbraw/zinc/26/63/80/520266380.db2.gz	YLBHACCMDZAHFA-MHZLTWQESA-N	0	0	442.990	7.157	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4ccccc4)nn3[C@H]2c2ccc(F)cc2)C1	ZINC000010035399	520268092	/nfs/dbraw/zinc/26/80/92/520268092.db2.gz	QXNPTXXBRHSOKJ-NRFANRHFSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccccc1OCC(N)=O	ZINC000000684838	520269232	/nfs/dbraw/zinc/26/92/32/520269232.db2.gz	JHFCDXVXPJCLHW-AREMUKBSSA-N	0	0	426.516	5.013	50	30		IKEARN
CC1(C)CC(=O)C=C(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)S1	ZINC000001038113	520271808	/nfs/dbraw/zinc/27/18/08/520271808.db2.gz	VUUDWEYEOVQVIE-UHFFFAOYSA-N	0	0	443.434	5.722	50	30		IKEARN
CC1(C)CC(=O)[C@@H]([C@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1	ZINC000005180184	520275110	/nfs/dbraw/zinc/27/51/10/520275110.db2.gz	BSMWLMCESYEKFA-BXVNPGGSSA-N	0	0	426.560	6.061	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2ccc(C(F)(F)F)cc2)c1=O	ZINC000097474805	520278463	/nfs/dbraw/zinc/27/84/63/520278463.db2.gz	LSXHQQBCFABOJC-YHYXMXQVSA-N	0	0	426.232	5.156	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C\c2cc(OC)ccc2OC)c2nc3ccccc3o2)cc1	ZINC000038204171	520324927	/nfs/dbraw/zinc/32/49/27/520324927.db2.gz	BCKXJZBWRSMESK-OQKWZONESA-N	0	0	443.499	6.057	50	30		IKEARN
CCCOc1ccc(C(=O)/C(=C/c2ccccc2[N+](=O)[O-])c2nc3ccccc3o2)cc1	ZINC000008992510	520325685	/nfs/dbraw/zinc/32/56/85/520325685.db2.gz	HMQNYQUMXHEEJF-SILNSSARSA-N	0	0	428.444	5.948	50	30		IKEARN
CC1(C)CCC[C@@](C)(C#CCN2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)O1	ZINC000020648827	520351058	/nfs/dbraw/zinc/35/10/58/520351058.db2.gz	NSPYZZFXRIZTQP-NDEPHWFRSA-N	0	0	443.591	5.229	50	30		IKEARN
CCOC(=O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1	ZINC000006544783	520391368	/nfs/dbraw/zinc/39/13/68/520391368.db2.gz	YXMGRHSZZFWEFN-XMHGGMMESA-N	0	0	425.278	5.539	50	30		IKEARN
CCOC(=O)C(=NNc1ccc(Br)cc1)c1csc(Nc2ccccc2)n1	ZINC000015636972	520394870	/nfs/dbraw/zinc/39/48/70/520394870.db2.gz	WVXBDDVKNDWLSK-JJIBRWJFSA-N	0	0	445.342	5.029	50	30		IKEARN
CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440877	520432169	/nfs/dbraw/zinc/43/21/69/520432169.db2.gz	QMJRWRUJGMKUMR-QHCPKHFHSA-N	0	0	431.488	5.155	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCc2ccccc2)cc1	ZINC000020027282	520496829	/nfs/dbraw/zinc/49/68/29/520496829.db2.gz	AOGQNRPFLLDBII-VWLOTQADSA-N	0	0	445.559	5.433	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)c(Cl)c1)O2	ZINC000020647295	520497037	/nfs/dbraw/zinc/49/70/37/520497037.db2.gz	AZPMQJLSOPGEAK-HMAPJEAMSA-N	0	0	448.390	6.717	50	30		IKEARN
CCCC[NH+](CCCC)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(OC)cc1OC)O2	ZINC000020648040	520497112	/nfs/dbraw/zinc/49/71/12/520497112.db2.gz	OWNLSVNACKUEPW-IWIPYMOSSA-N	0	0	439.552	5.428	50	30		IKEARN
CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCc1ccccc1	ZINC000009065460	520499247	/nfs/dbraw/zinc/49/92/47/520499247.db2.gz	HXZCTARDRJIIEL-QFIPXVFZSA-N	0	0	443.595	5.002	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(O)cc1C	ZINC000013286337	520556981	/nfs/dbraw/zinc/55/69/81/520556981.db2.gz	KMESQZRQUHUZEG-BEIQUOEZSA-N	0	0	425.579	5.475	50	30		IKEARN
CC1(C)C[C@H](n2c(SCC#N)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1	ZINC000002350870	520559125	/nfs/dbraw/zinc/55/91/25/520559125.db2.gz	CNXKGAYZXKRWOO-GOSISDBHSA-N	0	0	435.593	5.024	50	30	biogenic	IKEARN
CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(Cl)c(Cl)c1	ZINC000100117641	520572548	/nfs/dbraw/zinc/57/25/48/520572548.db2.gz	NKVBMEVULBJSKQ-CMCXOAPSSA-N	0	0	449.381	6.949	50	30		IKEARN
CC1(C)[C@@H](/C=C(\Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1	ZINC000013827939	520627273	/nfs/dbraw/zinc/62/72/73/520627273.db2.gz	ZXQYGBMAQZUVMI-GCMPRSNUSA-N	0	0	449.856	6.544	50	30	in-vitro	IKEARN
CCOc1cc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)ccc1O	ZINC000033097087	520647275	/nfs/dbraw/zinc/64/72/75/520647275.db2.gz	AHQKVZCGGJHCHU-TWILBZOKSA-N	0	0	438.597	5.783	50	30		IKEARN
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccccc1	ZINC000000689050	520692607	/nfs/dbraw/zinc/69/26/07/520692607.db2.gz	WBYPPWIYOVLUKO-UHFFFAOYSA-N	0	0	443.543	5.365	50	30		IKEARN
CCCCOC(=O)c1cc(-c2ccc(/C=C3\Sc4ccccc4C3=O)o2)ccc1Cl	ZINC000013603149	520720776	/nfs/dbraw/zinc/72/07/76/520720776.db2.gz	HVYOIKYEKSBWKE-HMAPJEAMSA-N	0	0	438.932	6.886	50	30		IKEARN
CCOc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2O)C3)ccc1OC	ZINC000021349715	520788150	/nfs/dbraw/zinc/78/81/50/520788150.db2.gz	QBUAXCKLUMGEGR-FYSMJZIKSA-N	0	0	446.503	5.054	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)C2=C(CCCC2=O)N1	ZINC000008415275	520811410	/nfs/dbraw/zinc/81/14/10/520811410.db2.gz	RLAAGAQFHFKTRS-OAQYLSRUSA-N	0	0	444.428	5.451	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccn2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000012416393	520811469	/nfs/dbraw/zinc/81/14/69/520811469.db2.gz	SQHYDVPMWNWVHI-NSYGIPOTSA-N	0	0	441.556	5.143	50	30		IKEARN
CCOc1ccc(-c2csc(C(C#N)=NNc3ccc(Br)cc3)n2)cc1	ZINC000011852447	520811694	/nfs/dbraw/zinc/81/16/94/520811694.db2.gz	HTKHIBVBKJQYSM-JJIBRWJFSA-N	0	0	427.327	5.311	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2OCc2ccccc2)C2=C(CCCC2=O)N1	ZINC000019799458	520815242	/nfs/dbraw/zinc/81/52/42/520815242.db2.gz	WJGIWTPPFQCWIF-RUZDIDTESA-N	0	0	431.532	5.185	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1	ZINC000001082101	520817059	/nfs/dbraw/zinc/81/70/59/520817059.db2.gz	KCENSAJUJSBWMW-JPYJTQIMSA-N	0	0	436.939	5.048	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781282	520819489	/nfs/dbraw/zinc/81/94/89/520819489.db2.gz	VNTBBYYGWZQXCW-UZUQRXQVSA-N	0	0	437.561	5.015	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000792610	520819553	/nfs/dbraw/zinc/81/95/53/520819553.db2.gz	TZQLJEPCNXUWFA-RLWLMLJZSA-N	0	0	442.559	5.319	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019855328	520820330	/nfs/dbraw/zinc/82/03/30/520820330.db2.gz	PUMHXNHZVUZKGS-CJFMBICVSA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001184507	520820398	/nfs/dbraw/zinc/82/03/98/520820398.db2.gz	XWIKZAASTVWJOU-IIBYNOLFSA-N	0	0	427.591	5.370	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001022102	520820423	/nfs/dbraw/zinc/82/04/23/520820423.db2.gz	JMIPJZLQDGJHKC-DCFHFQCYSA-N	0	0	442.559	5.319	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001202576	520820535	/nfs/dbraw/zinc/82/05/35/520820535.db2.gz	VAHSKKMELNMDEV-KBMIEXCESA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000000710572	520823677	/nfs/dbraw/zinc/82/36/77/520823677.db2.gz	NOPGTQHGCKXWIJ-DEOSSOPVSA-N	0	0	433.523	5.216	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000000826317	520825960	/nfs/dbraw/zinc/82/59/60/520825960.db2.gz	GDWRIOUHCKMNGU-JOCHJYFZSA-N	0	0	441.449	5.417	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC	ZINC000008438961	520849437	/nfs/dbraw/zinc/84/94/37/520849437.db2.gz	BMJMLUVREAWAQT-AKCPTTJYSA-N	0	0	436.455	5.347	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2cccc(OC)c2)c2nc3ccccc3o2)cc1	ZINC000009030800	520856997	/nfs/dbraw/zinc/85/69/97/520856997.db2.gz	KWKADBTYZZWNIH-NKFKGCMQSA-N	0	0	427.500	6.439	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2ccccc2Cl)c2nc3ccccc3o2)cc1	ZINC000008437032	520857672	/nfs/dbraw/zinc/85/76/72/520857672.db2.gz	GRRBNEFLAINRPX-FXBPSFAMSA-N	0	0	431.919	7.084	50	30		IKEARN
CCCCOc1ccc(C(=O)/C(=C/c2cccc(Cl)c2)c2nc3ccccc3o2)cc1	ZINC000011859533	520857841	/nfs/dbraw/zinc/85/78/41/520857841.db2.gz	PZLUQDFOQWCIRS-XLNRJJMWSA-N	0	0	431.919	7.084	50	30		IKEARN
CCOc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000013576719	520860111	/nfs/dbraw/zinc/86/01/11/520860111.db2.gz	XZNYWKZYTUABSV-DZNDYGJHSA-N	0	0	444.556	6.293	50	30		IKEARN
CCOc1ccc(C(=O)/C(=C\c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008915575	520872682	/nfs/dbraw/zinc/87/26/82/520872682.db2.gz	ZSBOCSJLGCTJOY-HMMYKYKNSA-N	0	0	429.472	5.667	50	30		IKEARN
CC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccc(F)cc1	ZINC000012416808	520887531	/nfs/dbraw/zinc/88/75/31/520887531.db2.gz	ZJMBHJBTIBZBMZ-UHFFFAOYSA-N	0	0	436.371	5.566	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O	ZINC000051366954	520895300	/nfs/dbraw/zinc/89/53/00/520895300.db2.gz	FMMOZPPXADXNAA-FAZMWWMKSA-N	0	0	448.361	5.222	50	30		IKEARN
CCCCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4)nn32)cc1	ZINC000012589573	520896197	/nfs/dbraw/zinc/89/61/97/520896197.db2.gz	OBMCIYAZZWVEQS-DEOSSOPVSA-N	0	0	442.563	5.782	50	30		IKEARN
CCCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1	ZINC000012410738	520896217	/nfs/dbraw/zinc/89/62/17/520896217.db2.gz	ZBZQSFQNKPWGHL-SANMLTNESA-N	0	0	437.543	6.387	50	30		IKEARN
CCC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000009272294	520896726	/nfs/dbraw/zinc/89/67/26/520896726.db2.gz	NVHYTASQZUFVJY-VOSQQLOXSA-N	0	0	444.398	5.392	50	30		IKEARN
CCOc1ccc(CCNC(=O)c2ccccc2Sc2ccccc2C#N)cc1OCC	ZINC000012759166	520953997	/nfs/dbraw/zinc/95/39/97/520953997.db2.gz	DUFDRRFYXQCPCC-UHFFFAOYSA-N	0	0	446.572	5.479	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2	ZINC000100221266	521015789	/nfs/dbraw/zinc/01/57/89/521015789.db2.gz	HIJAXYPXZLERBN-CVKSISIWSA-N	0	0	445.028	6.492	50	30		IKEARN
CCOc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1	ZINC000006296266	521031838	/nfs/dbraw/zinc/03/18/38/521031838.db2.gz	JIXRALDUESHLDT-UHFFFAOYSA-N	0	0	428.941	5.295	50	30		IKEARN
CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OCc4ccccc4)cc32)CCCC1=O	ZINC000100140305	521069185	/nfs/dbraw/zinc/06/91/85/521069185.db2.gz	GOJIBCJRFNYELA-UHFFFAOYSA-N	0	0	430.548	5.174	50	30		IKEARN
CCOc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1	ZINC000021722326	521091717	/nfs/dbraw/zinc/09/17/17/521091717.db2.gz	MPPAOJDPMZISDT-VWLOTQADSA-N	0	0	443.503	5.891	50	30		IKEARN
CCCC[C@@]1(Br)C(=O)C2=C(N(c3ccccc3)C1=O)[C@@]1(C)CC[C@@H]2C1(C)C	ZINC000008384846	521122507	/nfs/dbraw/zinc/12/25/07/521122507.db2.gz	WEAZETIELYIGMB-PBNUPURSSA-N	0	0	430.386	5.636	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000018254418	521169215	/nfs/dbraw/zinc/16/92/15/521169215.db2.gz	USRVMCCQMYGPRS-AREMUKBSSA-N	0	0	430.592	6.537	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000012648739	521169375	/nfs/dbraw/zinc/16/93/75/521169375.db2.gz	YLNFDTSZCDVHIG-QUGAMOGWSA-N	0	0	446.934	6.244	50	30		IKEARN
CCC(=O)Nc1ccccc1Sc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000012369987	521230204	/nfs/dbraw/zinc/23/02/04/521230204.db2.gz	MCFXVRCRQONACQ-UHFFFAOYSA-N	0	0	433.480	6.200	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000008413556	521232454	/nfs/dbraw/zinc/23/24/54/521232454.db2.gz	WTIZSDUJURQMSX-XMMPIXPASA-N	0	0	445.563	5.031	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	ZINC000000709536	521245359	/nfs/dbraw/zinc/24/53/59/521245359.db2.gz	JQNXMVSIJFLSCI-NGOKVRLYSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000021660455	521248089	/nfs/dbraw/zinc/24/80/89/521248089.db2.gz	IZMNHMUWDJVXOA-HOYKHHGWSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOC(=O)[C@H](Cc1ccc(F)cc1)C(=O)C/C=N/OCc1ccc(Cl)cc1Cl	ZINC000012859061	521254150	/nfs/dbraw/zinc/25/41/50/521254150.db2.gz	MDFJEMXDADDZCP-ZTWLKVPMSA-N	0	0	440.298	5.016	50	30		IKEARN
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC	ZINC000013568497	521268663	/nfs/dbraw/zinc/26/86/63/521268663.db2.gz	APWHKHLFUGVKQB-RTWAWAEBSA-N	0	0	433.548	5.222	50	30		IKEARN
CCOc1ccc2c(c1)C(N=Nc1c(Cl)cncc1Cl)c1cc(OCC)ccc1-2	ZINC000008721884	521285610	/nfs/dbraw/zinc/28/56/10/521285610.db2.gz	SPBFSJOUMHNYED-UHFFFAOYSA-N	0	0	428.319	6.031	50	30		IKEARN
CCOc1ccc2ccccc2c1/C=C1\N=C(SCc2ccccc2Cl)SC1=O	ZINC000015016449	521296666	/nfs/dbraw/zinc/29/66/66/521296666.db2.gz	OQQGBIOKODNGGG-MOSHPQCFSA-N	0	0	439.989	6.796	50	30		IKEARN
CCOc1cccc(CN=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)c1O	ZINC000038187790	521316835	/nfs/dbraw/zinc/31/68/35/521316835.db2.gz	JOJIOOVINFSSSJ-WMMPRDMWSA-N	0	0	438.597	5.783	50	30		IKEARN
CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCC2	ZINC000015946409	521448864	/nfs/dbraw/zinc/44/88/64/521448864.db2.gz	CRDYAJAOFHPMQY-CVKSISIWSA-N	0	0	438.980	6.682	50	30		IKEARN
CCOC(=O)c1cc2c(nc1C)-c1ccc([N+](=O)[O-])cc1/C2=N\c1cccc2ccccc21	ZINC000012410891	521450225	/nfs/dbraw/zinc/45/02/25/521450225.db2.gz	AFNKSGZTBQRVCO-AZPGRJICSA-N	0	0	437.455	5.778	50	30		IKEARN
CCOC(=O)c1ccc(N2C(SC)=N/C(=N\c3cccc(C)c3)C23CCCCC3)cc1	ZINC000012410930	521484103	/nfs/dbraw/zinc/48/41/03/521484103.db2.gz	JCJOSZXCNPTOFQ-RWEWTDSWSA-N	0	0	435.593	6.144	50	30		IKEARN
CCNC(=S)N=NCc1ccc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1	ZINC000004136664	521509489	/nfs/dbraw/zinc/50/94/89/521509489.db2.gz	NNQNRYRVBVWMBP-JZZXMACJSA-N	0	0	427.577	5.272	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(Br)c1	ZINC000013286418	521513349	/nfs/dbraw/zinc/51/33/49/521513349.db2.gz	GJKATFMHINJSFU-HSHHTGOPSA-N	0	0	446.395	5.443	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O	ZINC000096179144	521532996	/nfs/dbraw/zinc/53/29/96/521532996.db2.gz	LIPNXQLBCIZNOH-FPEJUQHSSA-N	0	0	445.544	5.250	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1Cl)C2	ZINC000008846664	521590263	/nfs/dbraw/zinc/59/02/63/521590263.db2.gz	NVTWIXACOHQGCP-XGCWNURASA-N	0	0	444.962	6.718	50	30		IKEARN
CCCc1sc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1Br	ZINC000036611178	521612091	/nfs/dbraw/zinc/61/20/91/521612091.db2.gz	LCKIZAZNPGSHGX-SDNWHVSQSA-N	0	0	441.390	6.938	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccccc2OCC)c(C)n1	ZINC000032972775	521649598	/nfs/dbraw/zinc/64/95/98/521649598.db2.gz	GLFPUZYFJCTTPU-UHFFFAOYSA-N	0	0	447.583	5.015	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)cc(C)c2)c(C)n1	ZINC000032973016	521650320	/nfs/dbraw/zinc/65/03/20/521650320.db2.gz	FOQBHRKWIBFUOS-UHFFFAOYSA-N	0	0	435.547	5.064	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cccc(C)c2C)c(C)n1	ZINC000032973022	521650818	/nfs/dbraw/zinc/65/08/18/521650818.db2.gz	FHYHUBMHTHJINN-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(Br)cc1	ZINC000043761317	521658359	/nfs/dbraw/zinc/65/83/59/521658359.db2.gz	AVFSWZKWOBOOCL-HAVVHWLPSA-N	0	0	434.790	6.842	50	30		IKEARN
CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc([C@H](C#N)c2ccccc2)c(Cl)c1	ZINC000058989389	521692923	/nfs/dbraw/zinc/69/29/23/521692923.db2.gz	NQWXNQWTBURGDJ-HXUWFJFHSA-N	0	0	438.936	5.041	50	30		IKEARN
CCSc1nnc(C(F)(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2)o1	ZINC000036611433	521791481	/nfs/dbraw/zinc/79/14/81/521791481.db2.gz	WXUXPDLOQYTIPZ-LSFURLLWSA-N	0	0	430.839	5.117	50	30		IKEARN
CCSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2c(C)cccc2Cl)o1	ZINC000036611402	521792021	/nfs/dbraw/zinc/79/20/21/521792021.db2.gz	NODUABXAUIRUAN-FSJBWODESA-N	0	0	442.928	5.666	50	30		IKEARN
CCc1ccccc1NC=C1C(=O)c2ccccc2N(Cc2ccc(C)cc2)S1(=O)=O	ZINC000020558820	521850025	/nfs/dbraw/zinc/85/00/25/521850025.db2.gz	IBPARMHKZPYYRG-LFVJCYFKSA-N	0	0	432.545	5.044	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1cccc(Cl)c1	ZINC000036020650	521893587	/nfs/dbraw/zinc/89/35/87/521893587.db2.gz	QEAYPERBFWMVJB-UHFFFAOYSA-N	0	0	447.966	6.102	50	30		IKEARN
COC(=O)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1	ZINC000101936116	521935945	/nfs/dbraw/zinc/93/59/45/521935945.db2.gz	FSXRBMXJBAXAIR-JXKYSLRESA-N	0	0	442.540	5.146	50	30		IKEARN
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1ccc(Cl)cc1Cl	ZINC000013551599	521976134	/nfs/dbraw/zinc/97/61/34/521976134.db2.gz	DOEFHXDBPMGCQF-JJFYIABZSA-N	0	0	443.351	6.911	50	30		IKEARN
COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1	ZINC000013424186	521976971	/nfs/dbraw/zinc/97/69/71/521976971.db2.gz	OERFJZDXUYBERT-HMAPJEAMSA-N	0	0	438.526	5.101	50	30		IKEARN
COc1cc(/C=C\C(=O)c2c(C)nn3c4ccccc4n(C)c23)cc(Cl)c1OC(C)C	ZINC000096925869	521982345	/nfs/dbraw/zinc/98/23/45/521982345.db2.gz	OQQUIKPMQKEFJH-KHPPLWFESA-N	0	0	437.927	5.480	50	30		IKEARN
COC(=O)c1ccc(COc2ccc(/C=C3\CCc4ccccc4C3=O)cc2OC)cc1	ZINC000014359364	522046090	/nfs/dbraw/zinc/04/60/90/522046090.db2.gz	IRKZINSSXVGAGD-PXLXIMEGSA-N	0	0	428.484	5.273	50	30		IKEARN
CC[C@H](C)n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Br)o1	ZINC000015906032	522070219	/nfs/dbraw/zinc/07/02/19/522070219.db2.gz	HOIJNJMZFIVZDO-NSHDSACASA-N	0	0	438.285	5.035	50	30		IKEARN
CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)C=CNc3ccccc3Cl)cc2)n1	ZINC000091695702	522118901	/nfs/dbraw/zinc/11/89/01/522118901.db2.gz	DDRXXVWCZAILBO-VAWYXSNFSA-N	0	0	445.872	6.295	50	30		IKEARN
CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)C=CNc3ccc(Cl)cc3)cc2)n1	ZINC000091695692	522118998	/nfs/dbraw/zinc/11/89/98/522118998.db2.gz	NATDDPSYIFBJRV-VAWYXSNFSA-N	0	0	445.872	6.295	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)cc1	ZINC000000662411	522243916	/nfs/dbraw/zinc/24/39/16/522243916.db2.gz	GDAYKPCAGLNMJO-MHZLTWQESA-N	0	0	437.543	5.569	50	30		IKEARN
CN(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000001066935	522249482	/nfs/dbraw/zinc/24/94/82/522249482.db2.gz	JOSQWVUJSQNGPM-QHCPKHFHSA-N	0	0	446.934	5.185	50	30		IKEARN
COC(=O)c1ccccc1NC(=O)[C@H](C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000095455159	522280332	/nfs/dbraw/zinc/28/03/32/522280332.db2.gz	NOCCVRZBADLXHL-AWEZNQCLSA-N	0	0	446.315	5.149	50	30		IKEARN
CCC1N=NC(=S)N1N=Cc1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1	ZINC000036611350	522780924	/nfs/dbraw/zinc/78/09/24/522780924.db2.gz	DDYQWZFMVVLTKS-IFRROFPPSA-N	0	0	431.732	5.144	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccc(C)cc2)c1	ZINC000035847753	522839161	/nfs/dbraw/zinc/83/91/61/522839161.db2.gz	QZCJBBHLNDSHIS-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O	ZINC000100775912	522869197	/nfs/dbraw/zinc/86/91/97/522869197.db2.gz	LZFWNEIASLXRKR-XYGWBWBKSA-N	0	0	440.543	5.588	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(C)s1	ZINC000009010457	522883749	/nfs/dbraw/zinc/88/37/49/522883749.db2.gz	HGIGHMZGXILPRD-JLCFBVMHSA-N	0	0	427.953	5.245	50	30		IKEARN
COCc1cc(C)nc(N=NCc2ccccc2OCc2cccc3ccccc32)c1C#N	ZINC000013174016	522916281	/nfs/dbraw/zinc/91/62/81/522916281.db2.gz	ZQJUMGUSGGAEAG-MUFRIFMGSA-N	0	0	436.515	5.586	50	30		IKEARN
COCc1cc(C)nc(N=NCc2cccc(OCc3cccc4ccccc43)c2)c1C#N	ZINC000031833869	522919396	/nfs/dbraw/zinc/91/93/96/522919396.db2.gz	NBHYDOIPYNPOQZ-MWLSYYOVSA-N	0	0	436.515	5.586	50	30		IKEARN
COc1cc([C@@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc(OC)c1OC	ZINC000102926259	522921967	/nfs/dbraw/zinc/92/19/67/522921967.db2.gz	RGTFLSSVQLDBIG-NRFANRHFSA-N	0	0	445.515	5.490	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C	ZINC000001439922	522928470	/nfs/dbraw/zinc/92/84/70/522928470.db2.gz	BOTROSLQYSNYBY-MHZLTWQESA-N	0	0	441.527	6.083	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)ccc1O	ZINC000013568561	522964643	/nfs/dbraw/zinc/96/46/43/522964643.db2.gz	SWQKAUBNQMTHIB-WGDIFIGCSA-N	0	0	430.479	5.519	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O	ZINC000013568559	522965485	/nfs/dbraw/zinc/96/54/85/522965485.db2.gz	SWQKAUBNQMTHIB-MRDQGFSESA-N	0	0	430.479	5.519	50	30		IKEARN
COc1cc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)ccc1O	ZINC000028052259	522968296	/nfs/dbraw/zinc/96/82/96/522968296.db2.gz	LLRSHVCWDRHYSA-QRQCRPRQSA-N	0	0	436.895	5.309	50	30		IKEARN
COc1cc([C@H]2c3c(ccc4nc(C)ccc43)NC3=C2C(=O)CCC3)cc(OC)c1OC	ZINC000000718231	522968562	/nfs/dbraw/zinc/96/85/62/522968562.db2.gz	OQNRXDDJICPRGJ-QHCPKHFHSA-N	0	0	430.504	5.134	50	30		IKEARN
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1	ZINC000012419638	522974034	/nfs/dbraw/zinc/97/40/34/522974034.db2.gz	DDVNIZFMKOWAJV-ZVHZXABRSA-N	0	0	428.404	5.522	50	30		IKEARN
COc1cc2c(c(OC)c1)[C@H](c1ccc(Br)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004794661	522994443	/nfs/dbraw/zinc/99/44/43/522994443.db2.gz	ZMXMKVXAUOBSMP-HXUWFJFHSA-N	0	0	442.353	5.667	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(C)cc1	ZINC000035999625	523075955	/nfs/dbraw/zinc/07/59/55/523075955.db2.gz	DJVFQKNCPSZHOP-UHFFFAOYSA-N	0	0	427.548	5.758	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)nc3sc(-c4ccc(C#N)cc4)c(N)c32)cc1	ZINC000012249688	523086359	/nfs/dbraw/zinc/08/63/59/523086359.db2.gz	WGSAXRKJUORQJV-UHFFFAOYSA-N	0	0	439.565	6.821	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)N3CCCC[C@@H]3C)n2)cc1	ZINC000012385125	523103687	/nfs/dbraw/zinc/10/36/87/523103687.db2.gz	RSKKVRFQJUXVDX-AWEZNQCLSA-N	0	0	449.498	5.141	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1	ZINC000103753028	523227502	/nfs/dbraw/zinc/22/75/02/523227502.db2.gz	OVLXHURMZCFJIJ-JFLMPSFJSA-N	0	0	428.875	7.167	50	30		IKEARN
COc1ccc(-c2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731752	523235306	/nfs/dbraw/zinc/23/53/06/523235306.db2.gz	VGBRQKMWBAOVAT-NRFANRHFSA-N	0	0	434.927	5.265	50	30		IKEARN
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)c2ccc(Cl)cc2)cc1OC	ZINC000012500672	523240271	/nfs/dbraw/zinc/24/02/71/523240271.db2.gz	RGMAHYZLFCSNQQ-GXDHUFHOSA-N	0	0	444.918	6.106	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[N@@H+]3CCCC[C@H]3C)C2=O)c2cc(OC)ccc21	ZINC000020649759	523304548	/nfs/dbraw/zinc/30/45/48/523304548.db2.gz	MMZUPYWJHZJXHG-VEMXNMSTSA-N	0	0	446.547	5.366	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21	ZINC000008993423	523305624	/nfs/dbraw/zinc/30/56/24/523305624.db2.gz	KPFGZUKGBBDUER-CVKSISIWSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4ccc(OC)cc4)ccc3C2=O)c2ccccc21	ZINC000009422674	523307402	/nfs/dbraw/zinc/30/74/02/523307402.db2.gz	JTVMDZNYILMNGU-VULFUBBASA-N	0	0	425.484	5.865	50	30		IKEARN
CCn1cc(/C=C2\Oc3cc(OCc4ccccc4)ccc3C2=O)c2cc(OC)ccc21	ZINC000028182556	523308740	/nfs/dbraw/zinc/30/87/40/523308740.db2.gz	QHKGVINCSYUHQP-ZMFRSBBQSA-N	0	0	425.484	5.865	50	30		IKEARN
COc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1	ZINC000007061109	523319907	/nfs/dbraw/zinc/31/99/07/523319907.db2.gz	AQPFSFCGGSNKDH-UHFFFAOYSA-N	0	0	443.572	5.282	50	30	biogenic	IKEARN
COc1ccc(-n2c3ccccc3nc2SCC(=O)N(CCC#N)c2ccccc2)cc1	ZINC000012618678	523324704	/nfs/dbraw/zinc/32/47/04/523324704.db2.gz	ABJWATXAIAYGDG-UHFFFAOYSA-N	0	0	442.544	5.073	50	30		IKEARN
COc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2NC(=O)c2cccc(C#N)c2)cc1	ZINC000023461242	523340214	/nfs/dbraw/zinc/34/02/14/523340214.db2.gz	UUMGMTNGDDBUCR-UHFFFAOYSA-N	0	0	428.879	5.325	50	30		IKEARN
C[N@H+](Cc1ccccc1)Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(Cl)cc1Cl)O2	ZINC000020625310	523343990	/nfs/dbraw/zinc/34/39/90/523343990.db2.gz	KLJAKCYBBICKAM-JJFYIABZSA-N	0	0	440.326	5.947	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008888206	523357212	/nfs/dbraw/zinc/35/72/12/523357212.db2.gz	HYENONJVQALLET-RFHOTIDYSA-N	0	0	426.343	6.727	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000012951715	523358392	/nfs/dbraw/zinc/35/83/92/523358392.db2.gz	UKGQURNMPWDUHZ-RYTXTXLDSA-N	0	0	435.907	5.802	50	30		IKEARN
COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012951693	523358417	/nfs/dbraw/zinc/35/84/17/523358417.db2.gz	NSHLIMBWNHJGRP-UGNLZVGFSA-N	0	0	441.861	5.992	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc3c(c2)OCO3)cc1	ZINC000012951708	523358459	/nfs/dbraw/zinc/35/84/59/523358459.db2.gz	UKGQURNMPWDUHZ-LYBVQYQHSA-N	0	0	435.907	5.802	50	30		IKEARN
COc1ccc(/C(=N\OC(=O)c2ccc(F)cc2F)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012951700	523359034	/nfs/dbraw/zinc/35/90/34/523359034.db2.gz	NSHLIMBWNHJGRP-RFTNNARTSA-N	0	0	441.861	5.992	50	30		IKEARN
COc1ccc(/C(=N\OCc2ccc(Cl)cc2)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008888200	523359036	/nfs/dbraw/zinc/35/90/36/523359036.db2.gz	HYENONJVQALLET-AGIZDPOVSA-N	0	0	426.343	6.727	50	30		IKEARN
COc1ccc(/C(C)=N/Nc2ncc(-c3cc4c(ccc5ccccc54)oc3=O)s2)cc1	ZINC000013896492	523362880	/nfs/dbraw/zinc/36/28/80/523362880.db2.gz	XYEJOTJEMKZVMJ-JFLMPSFJSA-N	0	0	441.512	5.914	50	30		IKEARN
COc1ccc(/C(C)=N/Oc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)cc1	ZINC000008873731	523363025	/nfs/dbraw/zinc/36/30/25/523363025.db2.gz	BGCBIYHSUGAGIE-ORBVJSQLSA-N	0	0	429.320	5.479	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)c(OC)c1	ZINC000005401267	523406715	/nfs/dbraw/zinc/40/67/15/523406715.db2.gz	DXFKNFZSPGMPRA-WYMLVPIESA-N	0	0	432.907	5.651	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000008761962	523419949	/nfs/dbraw/zinc/41/99/49/523419949.db2.gz	LHZZMHLXKOFUGQ-CZCOQVGXSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
CC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000051366833	523421139	/nfs/dbraw/zinc/42/11/39/523421139.db2.gz	OYEUKCYVXSYVKV-RCRZSSQQSA-N	0	0	430.371	5.002	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3cccs3)C4)C2=O)cc1OC	ZINC000028541901	523423353	/nfs/dbraw/zinc/42/33/53/523423353.db2.gz	ZMEZWWGCUFZDNP-YVNNLAQVSA-N	0	0	449.528	5.042	50	30		IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4ccc(C)cc4)ccc3C2=O)c(OC)c1OC	ZINC000011869806	523423997	/nfs/dbraw/zinc/42/39/97/523423997.db2.gz	DNRUZMBZIWTRPE-QRVIBDJDSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
COc1ccc(CN=NC(=S)Nc2ccccc2)cc1COc1ccc(F)cc1F	ZINC000008691611	523441639	/nfs/dbraw/zinc/44/16/39/523441639.db2.gz	JWLFCUTXESSEDM-DHRITJCHSA-N	0	0	427.476	5.284	50	30		IKEARN
COc1ccc(/C=N/NC(=S)N[C@H]2C[C@@H](C)CC(C)(C)C2)cc1OCc1ccccc1	ZINC000012367899	523443257	/nfs/dbraw/zinc/44/32/57/523443257.db2.gz	JZZUWEHFCXEDNH-LIVTULCWSA-N	0	0	439.625	5.287	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c(OC)c1	ZINC000008872765	523446184	/nfs/dbraw/zinc/44/61/84/523446184.db2.gz	PMZDMSVPYBEBED-CVKSISIWSA-N	0	0	449.963	6.594	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC	ZINC000033938389	523457276	/nfs/dbraw/zinc/45/72/76/523457276.db2.gz	NLZRIDQQYQHPRR-GATIEOLUSA-N	0	0	436.821	5.279	50	30		IKEARN
COc1ccc(/N=C2\S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1	ZINC000057223517	523468760	/nfs/dbraw/zinc/46/87/60/523468760.db2.gz	YQOVKDKXADMPFV-BTRCZGFISA-N	0	0	436.533	5.361	50	30		IKEARN
COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1	ZINC000002184923	523468937	/nfs/dbraw/zinc/46/89/37/523468937.db2.gz	ZFCGBTGMOXWFMB-HAHDFKILSA-N	0	0	446.528	5.174	50	30		IKEARN
COc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1	ZINC000033912216	523469493	/nfs/dbraw/zinc/46/94/93/523469493.db2.gz	OAJMJRWJQMVKLI-QDJRPKQISA-N	0	0	445.569	5.874	50	30		IKEARN
COc1ccc(Br)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)c1	ZINC000000696117	523487755	/nfs/dbraw/zinc/48/77/55/523487755.db2.gz	MOWNCQBXBIQIBW-DEOSSOPVSA-N	0	0	434.333	6.284	50	30		IKEARN
COc1ccc(C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000033735845	523535378	/nfs/dbraw/zinc/53/53/78/523535378.db2.gz	KRMZCWQIFNPRJZ-UYRXBGFRSA-N	0	0	445.471	5.286	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(OC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009013609	523539946	/nfs/dbraw/zinc/53/99/46/523539946.db2.gz	QWZBKWLTZDKMOT-KPKJPENVSA-N	0	0	437.835	5.372	50	30		IKEARN
COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2ccc(C(C)C)cc2)C3=O)cc1	ZINC000002103179	523589536	/nfs/dbraw/zinc/58/95/36/523589536.db2.gz	QHFORRWSJISXHY-WGARJPEWSA-N	0	0	428.484	5.697	50	30	biogenic	IKEARN
CC[C@@H]1S/C(=N/N=C/c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000013618189	523607188	/nfs/dbraw/zinc/60/71/88/523607188.db2.gz	OYEUKCYVXSYVKV-JOHJSAGNSA-N	0	0	430.371	5.002	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1sccc1C	ZINC000012463227	523660859	/nfs/dbraw/zinc/66/08/59/523660859.db2.gz	MVOLPQKOUHRUSD-SFTDATJTSA-N	0	0	432.545	5.204	50	30		IKEARN
COc1ccc(C(=O)NC(Nc2ccc(F)c(Cl)c2)(C(F)(F)F)C(F)(F)F)cc1	ZINC000012366812	523683700	/nfs/dbraw/zinc/68/37/00/523683700.db2.gz	CAWMHNKOJWFJOC-UHFFFAOYSA-N	0	0	444.734	5.151	50	30		IKEARN
COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009186774	523790998	/nfs/dbraw/zinc/79/09/98/523790998.db2.gz	CIGXJOQQVYILDJ-DEOSSOPVSA-N	0	0	443.499	5.012	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C\c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000002729625	523875604	/nfs/dbraw/zinc/87/56/04/523875604.db2.gz	RTCHOQLYFPLBED-ZEHKLFRWSA-N	0	0	442.584	6.629	50	30		IKEARN
CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2cccc(Cl)c2)s1	ZINC000036612232	523876197	/nfs/dbraw/zinc/87/61/97/523876197.db2.gz	MAMDDIANZMUKQA-HNNXBMFYSA-N	0	0	438.862	5.270	50	30		IKEARN
CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3cccc(C)c3)S2(=O)=O)cc1	ZINC000020132863	523961476	/nfs/dbraw/zinc/96/14/76/523961476.db2.gz	ZMKUEBFCHWOLAN-LFVJCYFKSA-N	0	0	432.545	5.044	50	30		IKEARN
CCc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(C)cc3)S2(=O)=O)cc1	ZINC000020558822	523962317	/nfs/dbraw/zinc/96/23/17/523962317.db2.gz	JXEQXTZSODARQB-LFVJCYFKSA-N	0	0	432.545	5.044	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000019761159	524006564	/nfs/dbraw/zinc/00/65/64/524006564.db2.gz	JESQQNXVXJKARR-RGIAPHJHSA-N	0	0	433.523	5.529	50	30		IKEARN
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br	ZINC000000710621	524006652	/nfs/dbraw/zinc/00/66/52/524006652.db2.gz	DREGCMXRRNUOIK-RBZFPXEDSA-N	0	0	446.385	5.395	50	30		IKEARN
CCc1ccc(OCc2nnc(Sc3ncccc3C#N)n2[C@H](C)c2ccccc2)cc1	ZINC000012749591	524007835	/nfs/dbraw/zinc/00/78/35/524007835.db2.gz	ZLBDBWDRDPLGIC-GOSISDBHSA-N	0	0	441.560	5.447	50	30		IKEARN
CCc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1	ZINC000021722830	524013643	/nfs/dbraw/zinc/01/36/43/524013643.db2.gz	IAXIKTUSNGNIFA-VWLOTQADSA-N	0	0	448.544	5.211	50	30		IKEARN
CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(Cl)cc4)cnn32)cc1	ZINC000064874157	524034765	/nfs/dbraw/zinc/03/47/65/524034765.db2.gz	DTDXSJZCBRQEGY-HSZRJFAPSA-N	0	0	446.938	5.373	50	30		IKEARN
CCc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1	ZINC000000883356	524040589	/nfs/dbraw/zinc/04/05/89/524040589.db2.gz	PZWAYNKZLXUSCB-QLXKLKPCSA-N	0	0	430.573	6.299	50	30		IKEARN
CCc1cccc(C)c1/N=C1\N=C(SC)N(c2cccc(Cl)c2)C12CCCCC2	ZINC000013739473	524062132	/nfs/dbraw/zinc/06/21/32/524062132.db2.gz	ZCRQKZYLNSBKPG-ROMGYVFFSA-N	0	0	426.029	7.183	50	30		IKEARN
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/COc3ccccc3C2=O)cs1	ZINC000096924517	524067209	/nfs/dbraw/zinc/06/72/09/524067209.db2.gz	CDUGZMACUNZMLE-UYRXBGFRSA-N	0	0	432.545	5.611	50	30		IKEARN
CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C/C(=O)c2cc3ccccc3o2)cs1	ZINC000012784935	524067235	/nfs/dbraw/zinc/06/72/35/524067235.db2.gz	WUSFJMLRSDORPT-BUHFOSPRSA-N	0	0	444.556	6.595	50	30		IKEARN
CNC(=O)CCSc1nc(-c2ccc(Cl)cc2Cl)cc(C(F)(F)F)c1C#N	ZINC000016399460	524069860	/nfs/dbraw/zinc/06/98/60/524069860.db2.gz	PUJZHBSDXUUOEP-UHFFFAOYSA-N	0	0	434.270	5.174	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943217	524071141	/nfs/dbraw/zinc/07/11/41/524071141.db2.gz	PPRZQEBAUUYVGG-UHFFFAOYSA-N	0	0	442.538	5.618	50	30		IKEARN
CCc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984386	524071520	/nfs/dbraw/zinc/07/15/20/524071520.db2.gz	JDJOYNANJLOYEK-UHFFFAOYSA-N	0	0	441.911	5.691	50	30		IKEARN
Cc1ccc(C)c(CSC2=N[C@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1	ZINC000012954246	524106871	/nfs/dbraw/zinc/10/68/71/524106871.db2.gz	INAACLLPXVNCRV-XMMPIXPASA-N	0	0	428.532	5.984	50	30		IKEARN
Cc1ccc(C)c(CSc2nc3n(n2)[C@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1	ZINC000020850426	524107958	/nfs/dbraw/zinc/10/79/58/524107958.db2.gz	VNQDISHFWJTWKJ-HSZRJFAPSA-N	0	0	444.604	5.845	50	30		IKEARN
Cc1ccc(C)c(CSc2nc3n(n2)[C@@H](c2ccccc2)C2C(=O)CC(C)(C)CC2=N3)c1	ZINC000020850429	524108126	/nfs/dbraw/zinc/10/81/26/524108126.db2.gz	VNQDISHFWJTWKJ-QHCPKHFHSA-N	0	0	444.604	5.845	50	30		IKEARN
Cc1ccc(C)c(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c1	ZINC000021722282	524146466	/nfs/dbraw/zinc/14/64/66/524146466.db2.gz	JSJJKZFMYQJYKV-RUZDIDTESA-N	0	0	427.504	6.109	50	30		IKEARN
Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1	ZINC000033529704	524155528	/nfs/dbraw/zinc/15/55/28/524155528.db2.gz	SFLZQGIPXVZJBF-UCQKPKSFSA-N	0	0	425.513	5.337	50	30		IKEARN
Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1	ZINC000002265290	524155964	/nfs/dbraw/zinc/15/59/64/524155964.db2.gz	SKBUAQMUJAYSRN-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(Cl)c2C)c1	ZINC000032943316	524158765	/nfs/dbraw/zinc/15/87/65/524158765.db2.gz	YBHWPCLOHGPSJH-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(Cl)cc2C)c1	ZINC000032943112	524160538	/nfs/dbraw/zinc/16/05/38/524160538.db2.gz	KZQNCXOPGAQGFQ-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)c1	ZINC000000720681	524187372	/nfs/dbraw/zinc/18/73/72/524187372.db2.gz	GTMALCFWCWTLHG-MRDQGFSESA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1	ZINC000021356340	524190825	/nfs/dbraw/zinc/19/08/25/524190825.db2.gz	BVYIGKSZOMPRNC-VWLOTQADSA-N	0	0	448.544	5.266	50	30		IKEARN
Cc1cc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(NC(=O)OC(C)(C)C)cc32)c(=O)[nH]1	ZINC000328594218	524212288	/nfs/dbraw/zinc/21/22/88/524212288.db2.gz	ZMGRJTCZQJJSNY-QGZVFWFLSA-N	0	0	441.528	5.372	50	30		IKEARN
Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(O)c2)C12CCC(C(C)(C)C)CC2	ZINC000009369234	524244201	/nfs/dbraw/zinc/24/42/01/524244201.db2.gz	HGLHBUHWPWIMCS-UHFFFAOYSA-N	0	0	435.637	6.409	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1\C[C@H]([C@H](C)c2cccnc2)Oc2ccc(O)cc21	ZINC000020683607	524300201	/nfs/dbraw/zinc/30/02/01/524300201.db2.gz	KHZHNLYHGABBRR-FPVRUKQKSA-N	0	0	446.576	5.050	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2c(ccc([O-])c2C[NH+](CC(C)C)CC(C)C)C1=O	ZINC000013655116	524317251	/nfs/dbraw/zinc/31/72/51/524317251.db2.gz	BCLQDRIPSAGUPP-RVSCEFSYSA-N	0	0	435.564	5.687	50	30		IKEARN
COc1ccccc1/N=C/C1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C	ZINC000002294002	524328082	/nfs/dbraw/zinc/32/80/82/524328082.db2.gz	CGGREFCLEAARCV-ZOODIOSSSA-N	0	0	437.564	7.403	50	30		IKEARN
Cc1cc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@H]3C2(C#N)C#N)c(C)c1	ZINC000040163703	524335460	/nfs/dbraw/zinc/33/54/60/524335460.db2.gz	YYJOHIQCSCXTOM-DOEKTCAHSA-N	0	0	444.538	5.291	50	30		IKEARN
COc1ccccc1C(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](C)C2)[C@H]1c1ccco1	ZINC000018219501	524345008	/nfs/dbraw/zinc/34/50/08/524345008.db2.gz	WAPNHCQFZGTYRX-IVCQMTBJSA-N	0	0	428.488	5.355	50	30		IKEARN
Cc1cc(C)cc(-c2cc(/C=C/c3cccc(Cl)c3)c(C#N)c3nc4ccccc4n32)c1	ZINC000012566405	524353110	/nfs/dbraw/zinc/35/31/10/524353110.db2.gz	GNZUKEZCCBPZTM-ZHACJKMWSA-N	0	0	433.942	7.467	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)c1	ZINC000035074711	524359809	/nfs/dbraw/zinc/35/98/09/524359809.db2.gz	RREZBSKKLMEWGZ-OEAKJJBVSA-N	0	0	432.520	5.913	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)c1	ZINC000009259643	524360356	/nfs/dbraw/zinc/36/03/56/524360356.db2.gz	QSGOHGPMMNYVBS-MTJSOVHGSA-N	0	0	433.489	5.672	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc(Br)cc1C(=O)/C=C/c1cccs1	ZINC000009379898	524362398	/nfs/dbraw/zinc/36/23/98/524362398.db2.gz	HCSKTCACTQXBIU-MDZDMXLPSA-N	0	0	443.318	5.635	50	30		IKEARN
COc1ccc(NN=C(C(=O)Nc2cc(Cl)ccc2Cl)C(=O)c2ccccc2)cc1	ZINC000100586155	524380372	/nfs/dbraw/zinc/38/03/72/524380372.db2.gz	OVWUWIMLJHZGAT-NHFJDJAPSA-N	0	0	442.302	5.292	50	30		IKEARN
COc1ccc(N2C(SC)=N/C(=N\c3ccc(C)cc3)C23CCC(C(C)(C)C)CC3)cc1	ZINC000020805774	524400984	/nfs/dbraw/zinc/40/09/84/524400984.db2.gz	IAYVGQRLOVVUCZ-COOPMVRXSA-N	0	0	449.664	7.248	50	30		IKEARN
COc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1Cl	ZINC000032984178	524401613	/nfs/dbraw/zinc/40/16/13/524401613.db2.gz	VOHNPCLGMBEFBH-UHFFFAOYSA-N	0	0	439.920	5.307	50	30		IKEARN
C[C@H]1CCc2c(sc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2C#N)C1	ZINC000008456731	524436106	/nfs/dbraw/zinc/43/61/06/524436106.db2.gz	YPWJUYSPRHECOD-LURJTMIESA-N	0	0	438.315	5.151	50	30		IKEARN
Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)c1	ZINC000003041550	524436827	/nfs/dbraw/zinc/43/68/27/524436827.db2.gz	SRQYKYZOVVUVDJ-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccccc3Cl)S2(=O)=O)cc1	ZINC000020558772	524486568	/nfs/dbraw/zinc/48/65/68/524486568.db2.gz	ANHDSTGRRTUDFC-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)cc1	ZINC000020575694	524486583	/nfs/dbraw/zinc/48/65/83/524486583.db2.gz	YUSCFJWLMMCVHY-BKUYFWCQSA-N	0	0	438.574	5.160	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c1C	ZINC000032943455	524530420	/nfs/dbraw/zinc/53/04/20/524530420.db2.gz	VPVNDOHUVQGNRL-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)S/C2=N\c2ccc(O)cc2)c1	ZINC000013286086	524531458	/nfs/dbraw/zinc/53/14/58/524531458.db2.gz	ZRGPRCMJWHCLBQ-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
Cc1ccc(CSC2=Nc3ccccc3C2=NNc2cccc(C(F)(F)F)c2)cc1	ZINC000012954793	524641405	/nfs/dbraw/zinc/64/14/05/524641405.db2.gz	CBFZJKOQXPEEBZ-ANYBSYGZSA-N	0	0	425.479	6.807	50	30		IKEARN
Cc1ccc(C[C@@H]2S/C(=N/N=C/c3ccc(Cl)cc3)N(Cc3ccco3)C2=O)cc1	ZINC000012125081	524667378	/nfs/dbraw/zinc/66/73/78/524667378.db2.gz	DRQXGNCDEPIHFF-NNLCKWJRSA-N	0	0	437.952	5.318	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000018041876	524744858	/nfs/dbraw/zinc/74/48/58/524744858.db2.gz	RATJMDPSPXRKRM-XMMPIXPASA-N	0	0	430.548	5.246	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1	ZINC000002453121	524799383	/nfs/dbraw/zinc/79/93/83/524799383.db2.gz	ULXRMSDTWKSGHD-PXNMLYILSA-N	0	0	442.846	5.268	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c1	ZINC000002451219	524800938	/nfs/dbraw/zinc/80/09/38/524800938.db2.gz	WXRZJEQIJYBMNA-PXNMLYILSA-N	0	0	442.846	5.268	50	30		IKEARN
COc1ccc(OC)c(C(=O)/C=C/c2csc(N(C(C)=O)c3cccc(C)c3C)n2)c1	ZINC000013001629	524802051	/nfs/dbraw/zinc/80/20/51/524802051.db2.gz	DIJKCCCZVIDOIJ-PKNBQFBNSA-N	0	0	436.533	5.358	50	30		IKEARN
Cc1cc(Cl)ccc1NC(=NC(=O)c1ccc(C(C)(C)C)cc1)NCc1ccncc1	ZINC000021534120	524888949	/nfs/dbraw/zinc/88/89/49/524888949.db2.gz	HVNODIIXHYJFNC-UHFFFAOYSA-N	0	0	434.971	5.739	50	30		IKEARN
Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccccc3)S2(=O)=O)cc1Cl	ZINC000020558888	524914598	/nfs/dbraw/zinc/91/45/98/524914598.db2.gz	KRSDRIUFJHUQCL-HYARGMPZSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1ccc(NC=C2C(=O)c3ccccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1	ZINC000020558944	524914995	/nfs/dbraw/zinc/91/49/95/524914995.db2.gz	HUIRGLOPJCPRTO-HMAPJEAMSA-N	0	0	438.936	5.135	50	30		IKEARN
Cc1cccc2cc(CN=Nc3ncnc4scc(-c5ccccc5)c43)c(Cl)nc12	ZINC000013810987	524968977	/nfs/dbraw/zinc/96/89/77/524968977.db2.gz	UICQHTWMDRCNIF-LUOAPIJWSA-N	0	0	429.936	6.314	50	30		IKEARN
COc1ccc(OCc2ccccn2)c(/C=C\C(=O)c2cc(Cl)c(OC)cc2OC)c1	ZINC000096134084	524973917	/nfs/dbraw/zinc/97/39/17/524973917.db2.gz	ZELSVHVZRCIGDC-CLFYSBASSA-N	0	0	439.895	5.236	50	30		IKEARN
C[C@@H](NC(=O)COc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1ccccc1	ZINC000020551331	525117590	/nfs/dbraw/zinc/11/75/90/525117590.db2.gz	MXKVYUBQYKKLMX-SCELWYEFSA-N	0	0	437.337	5.456	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(Cl)c1	ZINC000021722295	525149424	/nfs/dbraw/zinc/14/94/24/525149424.db2.gz	DDDVKZGTRFBVJF-DEOSSOPVSA-N	0	0	447.922	6.454	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850913	525185539	/nfs/dbraw/zinc/18/55/39/525185539.db2.gz	SFTHVDONBHUYLR-QFIPXVFZSA-N	0	0	430.577	5.537	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccccc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850910	525186774	/nfs/dbraw/zinc/18/67/74/525186774.db2.gz	SFTHVDONBHUYLR-JOCHJYFZSA-N	0	0	430.577	5.537	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)Nc3ccccc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013760	525216517	/nfs/dbraw/zinc/21/65/17/525216517.db2.gz	WYWCKUXRFSLLDC-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)cc2)cc1	ZINC000018106874	525230787	/nfs/dbraw/zinc/23/07/87/525230787.db2.gz	WDWAQXJHXSWBCK-UZTOHYMASA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(O)c2)cc1	ZINC000000812874	525230934	/nfs/dbraw/zinc/23/09/34/525230934.db2.gz	NKZJACGFXGJYRH-XRHLQHRESA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)o2)cc1OC	ZINC000013568524	525231419	/nfs/dbraw/zinc/23/14/19/525231419.db2.gz	SZVJJKBBXRRTCE-QLXKLKPCSA-N	0	0	430.504	5.585	50	30		IKEARN
Cc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccco1	ZINC000021722222	525251478	/nfs/dbraw/zinc/25/14/78/525251478.db2.gz	DORAZSQIUSYLDV-VWLOTQADSA-N	0	0	441.531	6.437	50	30		IKEARN
Cc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1C	ZINC000003041326	525264074	/nfs/dbraw/zinc/26/40/74/525264074.db2.gz	COOFCNRDBPOGIN-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@@H]2c1cccc(Cl)c1	ZINC000064874258	525265153	/nfs/dbraw/zinc/26/51/53/525265153.db2.gz	MELTVQQZSJJIPE-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1ccccc1NC(=O)c1cnn2c1N=C1CCCC(=O)C1[C@H]2c1ccc(Cl)cc1	ZINC000064775596	525265351	/nfs/dbraw/zinc/26/53/51/525265351.db2.gz	OZJPBDOYMACUAG-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
COc1ccc([C@@H]2c3c(C)nn(-c4ccc(F)cc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012612052	525277351	/nfs/dbraw/zinc/27/73/51/525277351.db2.gz	XUCXOTNIKLAVIN-HSZRJFAPSA-N	0	0	431.511	5.529	50	30		IKEARN
COc1ccc([C@@]2(N3CCOCC3)Oc3ccccc3C(C#Cc3ccccc3)=C2C)cc1	ZINC000019720500	525284974	/nfs/dbraw/zinc/28/49/74/525284974.db2.gz	CVQOIDCXJPQFCP-LJAQVGFWSA-N	0	0	437.539	5.098	50	30		IKEARN
CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1cccc(O)c1	ZINC000020805789	525342686	/nfs/dbraw/zinc/34/26/86/525342686.db2.gz	FBVWSLBUDIOEED-VYIQYICTSA-N	0	0	435.637	6.945	50	30		IKEARN
COc1ccc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000008876343	525395660	/nfs/dbraw/zinc/39/56/60/525395660.db2.gz	PWWYPAHTCBJJEM-OAQYLSRUSA-N	0	0	445.559	5.352	50	30	biogenic	IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC2=C(C(=O)c4ccccc42)[C@H]3c2ccc(C)cc2)cc1	ZINC000009488029	525398207	/nfs/dbraw/zinc/39/82/07/525398207.db2.gz	ODYMRBPZHOQQTA-IBVKSMDESA-N	0	0	447.534	5.699	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccccc2C)cc1OC	ZINC000028052533	525401050	/nfs/dbraw/zinc/40/10/50/525401050.db2.gz	VHXXFYJDKOXMIE-OSPHWJPCSA-N	0	0	430.504	5.267	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC	ZINC000000883404	525430246	/nfs/dbraw/zinc/43/02/46/525430246.db2.gz	RVKAPMSAJHNMDA-IVCQMTBJSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000000832973	525430315	/nfs/dbraw/zinc/43/03/15/525430315.db2.gz	CERUAOPVNNYCQJ-RUZDIDTESA-N	0	0	428.488	6.066	50	30		IKEARN
COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000102948800	525438021	/nfs/dbraw/zinc/43/80/21/525438021.db2.gz	GVFOMTJSYWRVDJ-DEOSSOPVSA-N	0	0	443.547	5.399	50	30		IKEARN
COc1ccc([C@H]2c3sc4c(c3CCN2Cc2ccccc2C#N)CCCC4)cc1OC	ZINC000021045883	525442998	/nfs/dbraw/zinc/44/29/98/525442998.db2.gz	ZHMYFFHNMLYBPX-SANMLTNESA-N	0	0	444.600	5.663	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@H]21	ZINC000104608064	525533033	/nfs/dbraw/zinc/53/30/33/525533033.db2.gz	SZBWKZHLROZHJQ-OOMZPCAGSA-N	0	0	432.560	5.831	50	30		IKEARN
CSCC[C@@H]1c2c(C)nn(-c3nc4ccccc4s3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000012555255	525557869	/nfs/dbraw/zinc/55/78/69/525557869.db2.gz	YJOQTSVEXFWMEO-CQSZACIVSA-N	0	0	438.622	5.696	50	30		IKEARN
Cc1ccc(S(=O)(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C	ZINC000021722823	525561637	/nfs/dbraw/zinc/56/16/37/525561637.db2.gz	AGQWWMJHABFVAB-RUZDIDTESA-N	0	0	448.544	5.266	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3cccc(Cl)c3Cl)cc2)cc1	ZINC000012537691	525596510	/nfs/dbraw/zinc/59/65/10/525596510.db2.gz	XGPQJRSUMVBXTJ-NTEUORMPSA-N	0	0	446.355	5.999	50	30		IKEARN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1	ZINC000015980615	525597939	/nfs/dbraw/zinc/59/79/39/525597939.db2.gz	UPOMMTKKTGMQLV-GIJQJNRQSA-N	0	0	433.573	5.989	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4C)ccc3C1=O)cn2C	ZINC000008993150	525600429	/nfs/dbraw/zinc/60/04/29/525600429.db2.gz	DJOPIGKWMZNAFR-RPPGKUMJSA-N	0	0	425.484	5.691	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)CCC[C@@H]5[C@H]4CC[C@H]3C2)cc1	ZINC000253597583	525623956	/nfs/dbraw/zinc/62/39/56/525623956.db2.gz	DJKUHJBPRWSFHW-NNRMZFPESA-N	0	0	430.654	6.502	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1	ZINC000257346689	525624079	/nfs/dbraw/zinc/62/40/79/525624079.db2.gz	KNJVWAVLNHNHKV-TUJPBSFRSA-N	0	0	430.654	6.502	50	30		IKEARN
Cc1ccc(Sc2ccc(/C=C/C(=O)c3cc(Cl)ccc3Cl)cc2[N+](=O)[O-])cc1	ZINC000015979116	525670762	/nfs/dbraw/zinc/67/07/62/525670762.db2.gz	OETBLCBTGSWXLS-ONNFQVAWSA-N	0	0	444.339	7.257	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@H](C)c2nc3ccccc3s2)c1C#N	ZINC000057281330	525681608	/nfs/dbraw/zinc/68/16/08/525681608.db2.gz	JUASFONMHUFKQD-GOSISDBHSA-N	0	0	449.624	5.723	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN(C)[C@@H](C)c2nc3ccccc3s2)c1C#N	ZINC000057281327	525681718	/nfs/dbraw/zinc/68/17/18/525681718.db2.gz	JUASFONMHUFKQD-SFHVURJKSA-N	0	0	449.624	5.723	50	30		IKEARN
Cc1ccc(-c2ccc(/C=C/C(=O)c3ccc(NC(=O)c4ccco4)cc3)o2)c([N+](=O)[O-])c1	ZINC000016319797	525743952	/nfs/dbraw/zinc/74/39/52/525743952.db2.gz	LLERUYMPMICCLO-FMIVXFBMSA-N	0	0	442.427	5.905	50	30		IKEARN
Cc1c(Cl)cccc1-c1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3)NC2=O)o1	ZINC000033348160	525748877	/nfs/dbraw/zinc/74/88/77/525748877.db2.gz	VTEIFAQAWSKGIB-YBFXNURJSA-N	0	0	429.328	6.453	50	30		IKEARN
Cc1c(Cl)cccc1NC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O	ZINC000020575619	525758885	/nfs/dbraw/zinc/75/88/85/525758885.db2.gz	LSPXRAHSWSJAFG-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccccc3OCc3ccc(Cl)cc3)n2)cc1	ZINC000009925855	525780884	/nfs/dbraw/zinc/78/08/84/525780884.db2.gz	JQRSPWNTQDGELL-VULFUBBASA-N	0	0	433.964	6.797	50	30		IKEARN
Cc1ccc(-c2csc(Nc3nc4ccccc4nc3N3CCCCCC3)c2C#N)cc1	ZINC000012617061	525783860	/nfs/dbraw/zinc/78/38/60/525783860.db2.gz	VQXKLLXSIRMVMH-UHFFFAOYSA-N	0	0	439.588	6.662	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000001437504	525791880	/nfs/dbraw/zinc/79/18/80/525791880.db2.gz	FZWFXQJDLNGVJB-DCFHFQCYSA-N	0	0	439.515	6.191	50	30		IKEARN
Cc1ccc([C@@H]2c3c([nH]nc3-c3cccc([N+](=O)[O-])c3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020849699	525867234	/nfs/dbraw/zinc/86/72/34/525867234.db2.gz	WPTSZLWFLAHUPM-FQEVSTJZSA-N	0	0	428.492	5.494	50	30		IKEARN
Cc1c(O)ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O	ZINC000013756959	525879640	/nfs/dbraw/zinc/87/96/40/525879640.db2.gz	HDXVTLHCBGSZKL-OPEKNORGSA-N	0	0	439.302	5.769	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O	ZINC000253499189	525913958	/nfs/dbraw/zinc/91/39/58/525913958.db2.gz	HESAJDXBMHQLJH-DMYSZGNESA-N	0	0	445.434	7.293	50	30	biogenic	IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000253498556	525914506	/nfs/dbraw/zinc/91/45/06/525914506.db2.gz	LJQHVTRFOZQNII-LMBKNKKASA-N	0	0	444.537	6.592	50	30		IKEARN
CSc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(SC)cc3)C2=O)cc1	ZINC000015979808	525948563	/nfs/dbraw/zinc/94/85/63/525948563.db2.gz	UEYFSSIOZXZPIA-MUPYBJATSA-N	0	0	442.649	7.744	50	30		IKEARN
Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000008915870	525961887	/nfs/dbraw/zinc/96/18/87/525961887.db2.gz	WYFIMJBZABAQJN-WAMJVRJTSA-N	0	0	437.568	6.323	50	30		IKEARN
Cc1ccc(C=NN=C2c3ccccc3C(=O)C2C(=O)C(c2ccccc2)c2ccccc2)o1	ZINC000100143395	525964049	/nfs/dbraw/zinc/96/40/49/525964049.db2.gz	NIUOLHPWJOKCPA-KNQZIMACSA-N	0	0	446.506	6.252	50	30		IKEARN
Cc1ccc(/N=C2/NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)cc1	ZINC000009720958	525967509	/nfs/dbraw/zinc/96/75/09/525967509.db2.gz	ONUXWNYRPAJSQS-OYKKKHCWSA-N	0	0	441.531	6.029	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000101125907	525970488	/nfs/dbraw/zinc/97/04/88/525970488.db2.gz	LVRAFANJAQSBKR-LBMUFILHSA-N	0	0	429.501	6.020	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1Cl	ZINC000016267632	525971570	/nfs/dbraw/zinc/97/15/70/525971570.db2.gz	MYYLKXGYMBOLAX-ODLFYWEKSA-N	0	0	439.880	5.708	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000002084226	525972211	/nfs/dbraw/zinc/97/22/11/525972211.db2.gz	MMQCPIFJAXNHKY-PNTLFUMMSA-N	0	0	428.557	6.434	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)o1	ZINC000004576312	525982789	/nfs/dbraw/zinc/98/27/89/525982789.db2.gz	YEWBUPCTTJGMFX-HJPURHCSSA-N	0	0	425.550	5.210	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)o1	ZINC000000821077	525983092	/nfs/dbraw/zinc/98/30/92/525983092.db2.gz	BMNWLYWOLFZPFA-DCFHFQCYSA-N	0	0	445.559	5.826	50	30		IKEARN
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)NC2CCCC2)cc1	ZINC000021722111	525985331	/nfs/dbraw/zinc/98/53/31/525985331.db2.gz	RSGYACKTUAFCNT-SANMLTNESA-N	0	0	443.591	6.264	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4F)nn32)cc1	ZINC000020850302	525986624	/nfs/dbraw/zinc/98/66/24/525986624.db2.gz	NUKWBMSLRRIYTB-QFIPXVFZSA-N	0	0	448.567	5.676	50	30		IKEARN
C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)N(CCC#N)c1ccccc1	ZINC000021683166	526007395	/nfs/dbraw/zinc/00/73/95/526007395.db2.gz	OAIWNGQUWHMHFK-OAHLLOKOSA-N	0	0	426.592	5.091	50	30		IKEARN
C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)Nc1sccc1C#N	ZINC000012907278	526008240	/nfs/dbraw/zinc/00/82/40/526008240.db2.gz	NXAJFVFVBFJKQZ-OAHLLOKOSA-N	0	0	443.557	5.258	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)(C)C)cc2)o1	ZINC000008996552	526024626	/nfs/dbraw/zinc/02/46/26/526024626.db2.gz	GQNKIKRBGGKUKO-QFIPXVFZSA-N	0	0	430.504	5.059	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000006406693	526025006	/nfs/dbraw/zinc/02/50/06/526025006.db2.gz	XLTUYEOKLDGWRD-OXJNMPFZSA-N	0	0	446.330	5.059	50	30		IKEARN
Cc1ccc([C@H]2N=C(SCc3cccc(Cl)c3)NC3=C2C(=O)c2ccccc23)cc1	ZINC000012954673	526042307	/nfs/dbraw/zinc/04/23/07/526042307.db2.gz	XZEGGEUKVUWRCR-JOCHJYFZSA-N	0	0	430.960	6.190	50	30		IKEARN
Cc1cc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(C)n1-c1ccccc1	ZINC000012559561	526081583	/nfs/dbraw/zinc/08/15/83/526081583.db2.gz	QXLIVKPDAHNTSA-MOHJPFBDSA-N	0	0	434.564	7.127	50	30		IKEARN
CSc1cccc(NC(=O)CSc2nc(C)c(/N=N/c3ccccc3)c(C)c2C#N)c1	ZINC000012369922	526114938	/nfs/dbraw/zinc/11/49/38/526114938.db2.gz	OXNFNJVJJUJGIZ-BYYHNAKLSA-N	0	0	447.589	6.438	50	30		IKEARN
Cc1ccc2c(c1)C(N=Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@H](c1ccccc1)O2	ZINC000031939355	526137682	/nfs/dbraw/zinc/13/76/82/526137682.db2.gz	BQQIHSWUTSRNBS-DHHFVULLSA-N	0	0	445.975	7.112	50	30		IKEARN
Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000012652108	526144405	/nfs/dbraw/zinc/14/44/05/526144405.db2.gz	IMIYEASXSPIHHA-AREMUKBSSA-N	0	0	442.946	6.469	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2C)o1	ZINC000036611378	526226559	/nfs/dbraw/zinc/22/65/59/526226559.db2.gz	QPMOZBKJMZHMJW-SSDVNMTOSA-N	0	0	428.901	5.276	50	30		IKEARN
CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2c(Cl)cccc2Cl)o1	ZINC000036611429	526227017	/nfs/dbraw/zinc/22/70/17/526227017.db2.gz	UHSIPOQOJKSDIE-QPSGOUHRSA-N	0	0	433.267	5.299	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000036611359	526227364	/nfs/dbraw/zinc/22/73/64/526227364.db2.gz	DRIVNZNFPPZHPG-LSHDLFTRSA-N	0	0	449.319	5.621	50	30		IKEARN
CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cccc(C)n2)=C(C)NC2=C1C(=O)CCC2	ZINC000004125670	526234473	/nfs/dbraw/zinc/23/44/73/526234473.db2.gz	XJGKXBLESHAYIE-FQEVSTJZSA-N	0	0	439.606	5.088	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000021946988	526239355	/nfs/dbraw/zinc/23/93/55/526239355.db2.gz	AYHFYRCMZUUNLD-CMTIAEDTSA-N	0	0	433.486	5.544	50	30		IKEARN
Cc1ccc2nc(-c3cc(/N=C\c4cc(Br)ccc4O)ccc3Cl)oc2c1	ZINC000012462629	526239674	/nfs/dbraw/zinc/23/96/74/526239674.db2.gz	XNAJEYYOLNWTDP-MYKKPKGFSA-N	0	0	441.712	6.675	50	30		IKEARN
Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000036026141	526241238	/nfs/dbraw/zinc/24/12/38/526241238.db2.gz	AYHFYRCMZUUNLD-WEWMWRJBSA-N	0	0	433.486	5.544	50	30		IKEARN
C[C@H]1CCCC[N@@H+]1Cc1c2c(ccc1[O-])C(=O)/C(=C/c1ccc(-c3ccccc3)cc1)O2	ZINC000020646954	526251274	/nfs/dbraw/zinc/25/12/74/526251274.db2.gz	WUEDDSYVZIQZJQ-VPBNWZFVSA-N	0	0	425.528	6.050	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1)c1ccc(Br)cc1	ZINC000009184949	526270959	/nfs/dbraw/zinc/27/09/59/526270959.db2.gz	FVKHOZHJJZLNMD-HXUWFJFHSA-N	0	0	434.289	5.232	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2	ZINC000018197134	526295673	/nfs/dbraw/zinc/29/56/73/526295673.db2.gz	ZETNUWLLGHAJBB-QHCPKHFHSA-N	0	0	439.342	6.078	50	30		IKEARN
S=c1[n-]nc(-c2ccccc2Br)n1N=Cc1ccc(-c2ccccc2)cc1	ZINC000013583145	526386890	/nfs/dbraw/zinc/38/68/90/526386890.db2.gz	MXVRVSJUBMZXDA-OEAKJJBVSA-N	0	0	435.350	5.919	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Br)c1	ZINC000002327041	526389493	/nfs/dbraw/zinc/38/94/93/526389493.db2.gz	VTNNTZKPGDKDRD-UFWORHAWSA-N	0	0	428.142	5.185	50	30		IKEARN
S=C1N=NC(c2ccco2)N1N=Cc1ccc(COc2ccc(Cl)c(Cl)c2)o1	ZINC000020617905	526389814	/nfs/dbraw/zinc/38/98/14/526389814.db2.gz	CWHCOFTZMDOUMZ-ZVBGSRNCSA-N	0	0	435.292	5.188	50	30		IKEARN
O=C(O/N=C1/c2ccccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O)c1ccccc1	ZINC000012959556	526414051	/nfs/dbraw/zinc/41/40/51/526414051.db2.gz	WZCQWJGPPYAHDH-QQTULTPQSA-N	0	0	425.271	5.101	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccccc2Cl)[C@H](C(=O)c2cccs2)N2c3ccccc3C=C[C@H]21	ZINC000012524510	526430845	/nfs/dbraw/zinc/43/08/45/526430845.db2.gz	VUAKNUODZRBLQK-YTFSRNRJSA-N	0	0	441.943	5.686	50	30		IKEARN
O=C(O[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000012261623	526432313	/nfs/dbraw/zinc/43/23/13/526432313.db2.gz	NMXGNMKXWUAPGX-MRXNPFEDSA-N	0	0	449.322	5.040	50	30		IKEARN
O=C(Oc1ccc(/C=C2/C(=O)ON=C2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	ZINC000008854183	526438422	/nfs/dbraw/zinc/43/84/22/526438422.db2.gz	AZNOABHQADOCLH-DEDYPNTBSA-N	0	0	438.266	5.557	50	30		IKEARN
O=C(Oc1ccc(C=NNc2ccc([N+](=O)[O-])cc2)cc1)c1ccc(Br)cc1	ZINC000009056632	526438884	/nfs/dbraw/zinc/43/88/84/526438884.db2.gz	LMYUSXAYMQYZDE-LPYMAVHISA-N	0	0	440.253	5.023	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1	ZINC000002597712	526439134	/nfs/dbraw/zinc/43/91/34/526439134.db2.gz	BWOZGKJWHSAGAP-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O)N(c1ccccc1)c1ccccc1	ZINC000009282703	526443613	/nfs/dbraw/zinc/44/36/13/526443613.db2.gz	RCRYHULEPCAXRH-UQQQWYQISA-N	0	0	434.451	6.035	50	30		IKEARN
N#CCCn1cc(C(=O)CN2CCC[C@@H](c3nc4ccccc4s3)C2)c2ccccc21	ZINC000057373593	526466901	/nfs/dbraw/zinc/46/69/01/526466901.db2.gz	DZJQAODQUJZJTC-GOSISDBHSA-N	0	0	428.561	5.227	50	30		IKEARN
N#CCOc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1	ZINC000015226275	526472773	/nfs/dbraw/zinc/47/27/73/526472773.db2.gz	JXKSAHBKOVSBDM-OGLMXYFKSA-N	0	0	429.545	5.210	50	30		IKEARN
N#CCOc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1	ZINC000065501767	526475381	/nfs/dbraw/zinc/47/53/81/526475381.db2.gz	WAAXOQKMXLZIDV-XNTDXEJSSA-N	0	0	425.922	5.352	50	30		IKEARN
N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1	ZINC000044088059	526479965	/nfs/dbraw/zinc/47/99/65/526479965.db2.gz	RXZQXJNBDKIATL-UHFFFAOYSA-N	0	0	444.265	6.360	50	30		IKEARN
N#Cc1c(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cn2ccccc12	ZINC000014728656	526518149	/nfs/dbraw/zinc/51/81/49/526518149.db2.gz	KBHILAZQLPHJAS-UHFFFAOYSA-N	0	0	425.492	5.490	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(-c2ccc(Cl)cc2)cc1/C=C/c1cccc(Cl)c1	ZINC000012566410	526533362	/nfs/dbraw/zinc/53/33/62/526533362.db2.gz	FSWMXHBUCZOOAA-CMDGGOBGSA-N	0	0	440.333	7.503	50	30		IKEARN
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)/C=C/C=C/c1ccc(N(C)C)cc1	ZINC000043798958	526564989	/nfs/dbraw/zinc/56/49/89/526564989.db2.gz	FOGDMDKUICLTOJ-YDFGWWAZSA-N	0	0	442.506	6.656	50	30		IKEARN
N#Cc1ccc(-c2nc(-c3ccc4c(c3)Sc3ccccc3C(=O)N4C3CC3)no2)cc1	ZINC000035453836	526582906	/nfs/dbraw/zinc/58/29/06/526582906.db2.gz	LWYMPALLEMYFKX-UHFFFAOYSA-N	0	0	436.496	5.549	50	30		IKEARN
O=C(c1cc(-c2cccs2)nc2ccccc21)N1CCS/C1=N\Cc1ccccc1	ZINC000012529023	526596123	/nfs/dbraw/zinc/59/61/23/526596123.db2.gz	JXMSAJLELJCKCQ-IZHYLOQSSA-N	0	0	429.570	5.709	50	30		IKEARN
Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000020607090	526611993	/nfs/dbraw/zinc/61/19/93/526611993.db2.gz	GVLSWSACVYVIHL-OAHLLOKOSA-N	0	0	436.606	5.850	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)C3(c4cccc(Cl)c4)CC3)s2)cc1	ZINC000024828890	526632771	/nfs/dbraw/zinc/63/27/71/526632771.db2.gz	CQUUELPIYDTSEW-UHFFFAOYSA-N	0	0	426.954	5.026	50	30		IKEARN
N#Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1Cl	ZINC000009665720	526652670	/nfs/dbraw/zinc/65/26/70/526652670.db2.gz	YPUIHMBVIPWPLV-UHFFFAOYSA-N	0	0	445.935	5.190	50	30		IKEARN
O=C(Nc1csnc1-c1ccccc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1	ZINC000328596637	526692080	/nfs/dbraw/zinc/69/20/80/526692080.db2.gz	KGIOMXASEFSRJL-UHFFFAOYSA-N	0	0	427.476	5.229	50	30		IKEARN
O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000012652157	526776278	/nfs/dbraw/zinc/77/62/78/526776278.db2.gz	FZEASFVXNGYIKW-DEOSSOPVSA-N	0	0	447.922	5.823	50	30		IKEARN
O=C(c1cccc2ccccc21)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1	ZINC000012652174	526785876	/nfs/dbraw/zinc/78/58/76/526785876.db2.gz	GRHIJDUPTQCUDF-GDLZYMKVSA-N	0	0	444.534	6.661	50	30		IKEARN
N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	ZINC000012369702	526805500	/nfs/dbraw/zinc/80/55/00/526805500.db2.gz	CNQUYUITIVYHLE-UHFFFAOYSA-N	0	0	435.789	5.023	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1cccc(F)c1	ZINC000020503322	526827160	/nfs/dbraw/zinc/82/71/60/526827160.db2.gz	YQQHZCIANJHEGK-VWLOTQADSA-N	0	0	431.467	5.038	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1cccc(F)c1	ZINC000021722750	526827369	/nfs/dbraw/zinc/82/73/69/526827369.db2.gz	VPGWWVZGGHPBTM-RUZDIDTESA-N	0	0	447.535	5.506	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccccc1F	ZINC000020503317	526827443	/nfs/dbraw/zinc/82/74/43/526827443.db2.gz	NTHACJRDXJMIET-VWLOTQADSA-N	0	0	431.467	5.038	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCC1	ZINC000021721998	526827595	/nfs/dbraw/zinc/82/75/95/526827595.db2.gz	UNHZBGQFDSEKHE-RUZDIDTESA-N	0	0	435.593	5.177	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1	ZINC000021722026	526827846	/nfs/dbraw/zinc/82/78/46/526827846.db2.gz	BJDHASRHBIEXCH-RUZDIDTESA-N	0	0	429.545	5.367	50	30		IKEARN
Cc1sc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C#N)c1-c1ccc(F)cc1	ZINC000017096218	526879284	/nfs/dbraw/zinc/87/92/84/526879284.db2.gz	MZSJLYHGFWMKJX-UHFFFAOYSA-N	0	0	428.916	6.184	50	30		IKEARN
Clc1ccc(C=NN=c2nc3[nH]onc-3nc2Nc2ccccc2Cl)c(Cl)c1	ZINC000012375655	526940861	/nfs/dbraw/zinc/94/08/61/526940861.db2.gz	YKVQKBLXZWFFQB-ODCIPOBUSA-N	0	0	434.674	5.163	50	30		IKEARN
O=C1/C(=C\c2ccc(O)cc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12	ZINC000009323995	526946425	/nfs/dbraw/zinc/94/64/25/526946425.db2.gz	WUBWAPCCYPOPQB-DOGKOTLKSA-N	0	0	439.540	5.720	50	30		IKEARN
O=C1/C(=N/c2ccc3ccccc3c2)c2ccccc2N1CN1CCN(c2ccccc2)CC1	ZINC000020064288	526948439	/nfs/dbraw/zinc/94/84/39/526948439.db2.gz	HCPLFFKKJFDTIF-SJCQXOIGSA-N	0	0	446.554	5.087	50	30		IKEARN
Clc1ccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)cc1	ZINC000012960554	526949586	/nfs/dbraw/zinc/94/95/86/526949586.db2.gz	ZBIUZBBZNFPLQB-GNVQSUKOSA-N	0	0	426.947	7.055	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4Cl)nn3[C@@H](c3cccs3)C12	ZINC000020134193	526969352	/nfs/dbraw/zinc/96/93/52/526969352.db2.gz	LRGBAIZHJAXDMZ-SFHVURJKSA-N	0	0	446.960	5.446	50	30		IKEARN
Clc1ccccc1/C=N/c1ccc(Cc2ccc(/N=C/c3ccccc3Cl)cc2)cc1	ZINC000001882084	526988034	/nfs/dbraw/zinc/98/80/34/526988034.db2.gz	DNPWJNYWWYZJCF-GFTXTJKWSA-N	0	0	443.377	8.085	50	30		IKEARN
Cc1nc(NC(=O)c2ccccc2-c2ccccc2C#N)sc1-c1nccn1C(F)F	ZINC000012579863	526994416	/nfs/dbraw/zinc/99/44/16/526994416.db2.gz	SRDMVRHLNNOCSZ-UHFFFAOYSA-N	0	0	435.459	5.501	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1	ZINC000003048688	527022414	/nfs/dbraw/zinc/02/24/14/527022414.db2.gz	LATLKJNZKMSGOO-HXUWFJFHSA-N	0	0	434.582	5.653	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2	ZINC000001080231	527023358	/nfs/dbraw/zinc/02/33/58/527023358.db2.gz	LPASXEOEVJVMQJ-PPHZAIPVSA-N	0	0	446.506	5.922	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2	ZINC000000672596	527024791	/nfs/dbraw/zinc/02/47/91/527024791.db2.gz	JKOMNYJZWAZQKC-AVRWGWEMSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1cccc(Br)c1)Nc1ccccc1N2	ZINC000000672597	527032822	/nfs/dbraw/zinc/03/28/22/527032822.db2.gz	JKOMNYJZWAZQKC-IQGLISFBSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=Nc3nc(C(F)(F)F)nn3[C@@H](c3c[nH]c4ccccc43)C12	ZINC000009329706	527033089	/nfs/dbraw/zinc/03/30/89/527033089.db2.gz	CKVDPHQYKOMKDF-SZNDQCEHSA-N	0	0	449.436	5.194	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000033349561	527042314	/nfs/dbraw/zinc/04/23/14/527042314.db2.gz	LWDUSPVLVHAFCZ-GZTJUZNOSA-N	0	0	436.493	5.338	50	30		IKEARN
O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccccc1OC1CCCC1	ZINC000008398375	527043004	/nfs/dbraw/zinc/04/30/04/527043004.db2.gz	WGTKSOJNPQSDIT-UYRXBGFRSA-N	0	0	432.467	5.918	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)s1	ZINC000015016307	527043610	/nfs/dbraw/zinc/04/36/10/527043610.db2.gz	HZQUTHQUCZTWHX-XFFZJAGNSA-N	0	0	433.274	5.421	50	30		IKEARN
O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1cccc2ccccc21	ZINC000002245990	527099810	/nfs/dbraw/zinc/09/98/10/527099810.db2.gz	KQZPTMMEYMZIIN-HSZRJFAPSA-N	0	0	445.316	6.679	50	30		IKEARN
O=C1[C@H](c2ccccc2)S/C(=N/N=C/c2ccco2)N1c1cccc(C(F)(F)F)c1	ZINC000015931764	527116631	/nfs/dbraw/zinc/11/66/31/527116631.db2.gz	XRBJQNHZTSZWOT-ZUGVYDNOSA-N	0	0	429.423	5.510	50	30		IKEARN
O=C1c2c(ccc(Br)c2Cl)NC1=CNc1ccccc1Br	ZINC000100833218	527121013	/nfs/dbraw/zinc/12/10/13/527121013.db2.gz	ISONCOVTRLKJHC-KPKJPENVSA-N	0	0	428.511	5.427	50	30		IKEARN
O=C1c2ccc(OC/C=C/c3ccccc3)cc2O/C1=C\c1ccc(Br)cc1	ZINC000013655312	527122543	/nfs/dbraw/zinc/12/25/43/527122543.db2.gz	OCBVDSLODJQWGD-MOURARDWSA-N	0	0	433.301	6.158	50	30		IKEARN
O=C1c2ccc3c(c2O/C1=C\c1cccnc1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)O3	ZINC000218078855	527124277	/nfs/dbraw/zinc/12/42/77/527124277.db2.gz	BXNOBDTXRLWMJR-ASTMVQESSA-N	0	0	438.266	5.446	50	30	biogenic	IKEARN
O=C1c2ccc([N+](=O)[O-])cc2N[C@H](c2ccc(Cl)cc2)N1/N=C/c1ccc(Cl)cc1	ZINC000002192414	527124824	/nfs/dbraw/zinc/12/48/24/527124824.db2.gz	ULGSDNISNXSKFH-VWXZLZIGSA-N	0	0	441.274	5.502	50	30		IKEARN
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc(F)cc1	ZINC000012600888	527132788	/nfs/dbraw/zinc/13/27/88/527132788.db2.gz	LJWULEZOSMQOMP-NTEUORMPSA-N	0	0	446.319	7.008	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000104155746	527132876	/nfs/dbraw/zinc/13/28/76/527132876.db2.gz	JZRVPEZFYKMXSK-UUOWRZLLSA-N	0	0	437.926	6.876	50	30		IKEARN
O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1ccccc1F	ZINC000020575731	527138083	/nfs/dbraw/zinc/13/80/83/527138083.db2.gz	QALWZCUVRFWZPP-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
O=C1c2sccc2N(Cc2ccc(Cl)cc2)S(=O)(=O)C1=CNc1cccc(F)c1	ZINC000020575732	527138637	/nfs/dbraw/zinc/13/86/37/527138637.db2.gz	BGNAUJZHPGAUOR-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2ncccc2c1	ZINC000006177579	527140439	/nfs/dbraw/zinc/14/04/39/527140439.db2.gz	QNDXIMOAPNZAPA-GXDHUFHOSA-N	0	0	434.926	7.308	50	30		IKEARN
Cn1cc(/C=C2\Oc3cc(OCc4c(F)cccc4Cl)ccc3C2=O)c2ccccc21	ZINC000028182509	527145230	/nfs/dbraw/zinc/14/52/30/527145230.db2.gz	LCLAOJOKGFXBDV-MYKKPKGFSA-N	0	0	433.866	6.166	50	30		IKEARN
Cn1cc(/C=C2/Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21	ZINC000008990765	527145385	/nfs/dbraw/zinc/14/53/85/527145385.db2.gz	PDIMBRULMIXPCZ-YSURURNPSA-N	0	0	433.866	6.166	50	30		IKEARN
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnn(-c2ccccc2F)c1C(F)(F)F	ZINC000012877205	527240403	/nfs/dbraw/zinc/24/04/03/527240403.db2.gz	CNASYUVHRPIVJI-UHFFFAOYSA-N	0	0	433.283	5.181	50	30		IKEARN
O=[N+]([O-])c1cc(-c2ccc(/C=N/c3nc4ccccn4c3-c3ccco3)o2)ccc1Cl	ZINC000013108242	527324813	/nfs/dbraw/zinc/32/48/13/527324813.db2.gz	AYBYEPHXICIWIQ-ZMOGYAJESA-N	0	0	432.823	6.167	50	30		IKEARN
O=C(Nc1cccc(C#Cc2ccccc2)c1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	ZINC000012785444	527326372	/nfs/dbraw/zinc/32/63/72/527326372.db2.gz	VMFYJWNUCJQFPV-UHFFFAOYSA-N	0	0	449.407	5.682	50	30		IKEARN
O=[N+]([O-])c1ccc(/C(=N\OCCOc2ccccc2)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000012960306	527343700	/nfs/dbraw/zinc/34/37/00/527343700.db2.gz	NKAJMJNCVXJYNQ-NOBPMBFOSA-N	0	0	436.895	5.852	50	30		IKEARN
O=[N+]([O-])c1cccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c1	ZINC000033921177	527381799	/nfs/dbraw/zinc/38/17/99/527381799.db2.gz	DEXHNMVTDNITDK-FFFWXYFFSA-N	0	0	447.266	5.876	50	30		IKEARN
O=C(N[C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000328591745	527402325	/nfs/dbraw/zinc/40/23/25/527402325.db2.gz	DNLFLPZEPUJELO-SIKLNZKXSA-N	0	0	445.466	5.046	50	30		IKEARN
O=[N+]([O-])c1ccccc1OC/C(=N/OCc1ccc(Cl)cc1Cl)c1ccccc1	ZINC000012959341	527404527	/nfs/dbraw/zinc/40/45/27/527404527.db2.gz	FKJCKTPLZULWMM-CLCOLTQESA-N	0	0	431.275	5.902	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000012347986	527455676	/nfs/dbraw/zinc/45/56/76/527455676.db2.gz	BLVYYHHPVIVNLD-DEOSSOPVSA-N	0	0	433.511	5.397	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3cccs3)C1)[C@@H]2c1ccccc1	ZINC000018197474	527455747	/nfs/dbraw/zinc/45/57/47/527455747.db2.gz	HACHTJIALLNKIG-JTSKRJEESA-N	0	0	439.540	5.185	50	30		IKEARN
O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1C1CCCCC1)CCC3	ZINC000013739548	527459171	/nfs/dbraw/zinc/45/91/71/527459171.db2.gz	LENOKWAEAAILME-ZMOGYAJESA-N	0	0	426.973	5.551	50	30		IKEARN
O=C1NC(=Nc2cc(F)c(F)c(F)c2)C(=Cc2cccc(Oc3ncccn3)c2)S1	ZINC000072401092	527514812	/nfs/dbraw/zinc/51/48/12/527514812.db2.gz	HAQJNSZVJYAWHE-PXNMLYILSA-N	0	0	428.395	5.418	50	30		IKEARN
Cc1nn(-c2ccc(C)cc2)c2c1[C@@H](c1cccc(Cl)c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000018196670	527523260	/nfs/dbraw/zinc/52/32/60/527523260.db2.gz	LCNYUJAGWVECER-HSZRJFAPSA-N	0	0	431.967	6.343	50	30		IKEARN
O=C(Nc1sc2c(c1C=NNc1ccc3ccccc3c1)CCCC2)c1ccccc1	ZINC000008399951	527539617	/nfs/dbraw/zinc/53/96/17/527539617.db2.gz	LCAYHXHPNCUWRB-WPWMEQJKSA-N	0	0	425.557	6.478	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)C1=C(CCCC1=O)N2	ZINC000021658686	527553434	/nfs/dbraw/zinc/55/34/34/527553434.db2.gz	IEMLITWKPKFISU-OAQYLSRUSA-N	0	0	434.337	5.508	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000013569344	527553703	/nfs/dbraw/zinc/55/37/03/527553703.db2.gz	NJBKABMZUCSEPZ-IBVKSMDESA-N	0	0	448.526	5.240	50	30		IKEARN
O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1	ZINC000016400614	527596524	/nfs/dbraw/zinc/59/65/24/527596524.db2.gz	SAPBNQKUSMETLU-AATRIKPKSA-N	0	0	438.165	6.295	50	30		IKEARN
O=C(C=CNc1nc(-c2ccc(OC(F)F)cc2)cs1)C12CC3CC(CC(C3)C1)C2	ZINC000020608497	527598550	/nfs/dbraw/zinc/59/85/50/527598550.db2.gz	ONFNDVCFTDPORB-AATRIKPKSA-N	0	0	430.520	6.123	50	30		IKEARN
O=C(/C=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccc2noc(-c3ccccc3)c2c1	ZINC000036636064	527605011	/nfs/dbraw/zinc/60/50/11/527605011.db2.gz	VEBUKCVSTGFGCS-JLHYYAGUSA-N	0	0	436.423	6.559	50	30		IKEARN
O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(C2CCCCC2)cc1	ZINC000334162613	527616838	/nfs/dbraw/zinc/61/68/38/527616838.db2.gz	COQSTYJJLXBXGJ-VXLYETTFSA-N	0	0	430.975	7.863	50	30		IKEARN
O=C(/C=C/c1cccc(NC(=O)c2ccccc2Cl)c1)c1cccc(N2CCCC2=O)c1	ZINC000021629922	527626145	/nfs/dbraw/zinc/62/61/45/527626145.db2.gz	OCBAMWUIDNQYKH-BUHFOSPRSA-N	0	0	444.918	5.615	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccccc1Cl)Nc1ccc(C(C)C)cc1	ZINC000032972633	527628858	/nfs/dbraw/zinc/62/88/58/527628858.db2.gz	VCLAUTLGADWFIE-UHFFFAOYSA-N	0	0	437.975	5.212	50	30		IKEARN
O=C(C=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21	ZINC000001149637	527630480	/nfs/dbraw/zinc/63/04/80/527630480.db2.gz	FQTBATMWPPXGOH-QVNLTAIFSA-N	0	0	433.507	5.247	50	30		IKEARN
O=C(/C=C/c1ccccc1)c1ccc(-n2cc(-c3ccccc3)cc2-c2ccccc2)cc1	ZINC000051330221	527634329	/nfs/dbraw/zinc/63/43/29/527634329.db2.gz	GOYDATJWHOBNAF-LTGZKZEYSA-N	0	0	425.531	7.707	50	30		IKEARN
O=C(/C=C/c1cccs1)c1cc(F)ccc1OC(=O)c1ccccc1Br	ZINC000009216925	527641825	/nfs/dbraw/zinc/64/18/25/527641825.db2.gz	NUZCXSNXWIIMJK-CMDGGOBGSA-N	0	0	431.282	5.765	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Br)cc1	ZINC000013301908	527645935	/nfs/dbraw/zinc/64/59/35/527645935.db2.gz	PHAVBHNQANEVDS-JLHYYAGUSA-N	0	0	435.346	6.259	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-c2ccccc2)cc1	ZINC000012563831	527646507	/nfs/dbraw/zinc/64/65/07/527646507.db2.gz	YLRDWQFHZSNJRS-ISLYRVAYSA-N	0	0	432.548	7.164	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1	ZINC000096794646	527653903	/nfs/dbraw/zinc/65/39/03/527653903.db2.gz	YGQOEVZOLKDXFJ-YVMONPNESA-N	0	0	428.315	5.986	50	30		IKEARN
O=C(/C=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	ZINC000097993042	527656099	/nfs/dbraw/zinc/65/60/99/527656099.db2.gz	UPEHYTOWTMODBR-OQYWKCLKSA-N	0	0	432.234	6.729	50	30		IKEARN
O=C(/C=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1	ZINC000022239194	527659953	/nfs/dbraw/zinc/65/99/53/527659953.db2.gz	AHIQZHNJTIRWLG-PFONDFGASA-N	0	0	429.317	6.198	50	30		IKEARN
O=C(C/C=N\OCc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1	ZINC000012960340	527671093	/nfs/dbraw/zinc/67/10/93/527671093.db2.gz	XDPRGOJTXJCCBP-MXAYSNPKSA-N	0	0	429.303	6.317	50	30		IKEARN
FC(F)(F)c1cccc(Oc2ccc(/C=N/OCc3ccc(Cl)cc3Cl)cn2)c1	ZINC000012957129	527686457	/nfs/dbraw/zinc/68/64/57/527686457.db2.gz	SGFPPAUJSVTUQR-LUOAPIJWSA-N	0	0	441.236	6.750	50	30		IKEARN
FC(F)(F)c1cnc(C(N=Nc2ccc(Cl)nn2)c2ccc(Cl)cc2)c(Cl)c1	ZINC000012957213	527688448	/nfs/dbraw/zinc/68/84/48/527688448.db2.gz	FPCPWWYEHXWIIH-RWPZCVJISA-N	0	0	446.647	5.715	50	30		IKEARN
FC(F)=C(F)OC(F)(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	ZINC000095676684	527691612	/nfs/dbraw/zinc/69/16/12/527691612.db2.gz	RJBJXVAPYONTFE-SCSAIBSYSA-N	0	0	432.054	5.666	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	ZINC000000626641	555512890	/nfs/dbraw/zinc/51/28/90/555512890.db2.gz	CIBONHSIKNWTJP-HXUWFJFHSA-N	0	0	434.363	5.837	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(-c2ccccc2Cl)o1	ZINC000000629431	555514092	/nfs/dbraw/zinc/51/40/92/555514092.db2.gz	OPWOXWDHDBXTSO-UHFFFAOYSA-N	0	0	449.978	6.573	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(Cl)c2)cc1	ZINC000000630726	555514633	/nfs/dbraw/zinc/51/46/33/555514633.db2.gz	HEGVWABNIAPBMT-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(-c3ccc(Br)cc3)o1)C1=C(CCCC1=O)N2	ZINC000000636894	555516975	/nfs/dbraw/zinc/51/69/75/555516975.db2.gz	DDCVWIWOPKYPHM-UHFFFAOYSA-N	0	0	438.321	5.410	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OC(C)C	ZINC000000650589	555522709	/nfs/dbraw/zinc/52/27/09/555522709.db2.gz	RDMVENMIXQUDIF-RUZDIDTESA-N	0	0	446.547	5.089	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1ccc(OCc2ccc(F)cc2)c(Br)c1	ZINC000000665477	555528298	/nfs/dbraw/zinc/52/82/98/555528298.db2.gz	CCTSKGHGVJQBGG-UHFFFAOYSA-N	0	0	437.264	5.630	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000000666737	555528958	/nfs/dbraw/zinc/52/89/58/555528958.db2.gz	TZHQCUTUDAQUHL-RLWLMLJZSA-N	0	0	445.559	5.256	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl	ZINC000000669403	555530207	/nfs/dbraw/zinc/53/02/07/555530207.db2.gz	YKXVKWNYSYPDTF-QHCPKHFHSA-N	0	0	443.374	6.546	50	30		IKEARN
CCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2	ZINC000000672259	555531821	/nfs/dbraw/zinc/53/18/21/555531821.db2.gz	KUVCTWBIVUECOM-HMILPKGGSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccc(OC)cc1)C2	ZINC000000672251	555531847	/nfs/dbraw/zinc/53/18/47/555531847.db2.gz	KUVCTWBIVUECOM-GDJIYFAZSA-N	0	0	440.543	6.073	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc4c(c2)OCO4)C3)s1	ZINC000000678590	555536089	/nfs/dbraw/zinc/53/60/89/555536089.db2.gz	HTMLOCJJKALHQD-LMKMVOKYSA-N	0	0	430.529	5.765	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c[nH]c3ccccc32)cc1	ZINC000000681730	555537472	/nfs/dbraw/zinc/53/74/72/555537472.db2.gz	SGENHWCBNUIGCF-KWMCUTETSA-N	0	0	435.527	6.156	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3cccc([N+](=O)[O-])c3)C2)[C@@H]1c1ccco1	ZINC000000681736	555537680	/nfs/dbraw/zinc/53/76/80/555537680.db2.gz	MNMDEHXZKFJNTK-NSYGIPOTSA-N	0	0	443.459	5.108	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)n1	ZINC000000688448	555541327	/nfs/dbraw/zinc/54/13/27/555541327.db2.gz	MWLRZUAGMWOGSB-NRFANRHFSA-N	0	0	442.346	5.303	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(C)s2)cc1OC	ZINC000000709635	555546432	/nfs/dbraw/zinc/54/64/32/555546432.db2.gz	SQPJLGCMLIETMA-MRDQGFSESA-N	0	0	446.572	6.053	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(C(F)(F)F)cc1)Nc1ccccc1N2	ZINC000000709501	555546450	/nfs/dbraw/zinc/54/64/50/555546450.db2.gz	KMNOZBRXYDIKND-CJAUYULYSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1[N+](=O)[O-])Nc1ccccc1N2	ZINC000000709467	555546511	/nfs/dbraw/zinc/54/65/11/555546511.db2.gz	HBJPZHCWYVMFSK-PUAOIOHZSA-N	0	0	445.906	6.228	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O	ZINC000000709478	555546557	/nfs/dbraw/zinc/54/65/57/555546557.db2.gz	UEXIRONLZCSIGY-DEOSSOPVSA-N	0	0	430.504	5.267	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1Br)Nc1ccccc1N2	ZINC000000709508	555546562	/nfs/dbraw/zinc/54/65/62/555546562.db2.gz	ASSBIDWZDQGTAA-GKVSMKOHSA-N	0	0	445.360	6.429	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(O)c2)cc1OC	ZINC000000709643	555546832	/nfs/dbraw/zinc/54/68/32/555546832.db2.gz	MTEXHNHGKQLPMQ-CLYVBNDRSA-N	0	0	442.515	5.389	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1coc3ccccc3c1=O)Nc1ccccc1N2	ZINC000000709775	555546865	/nfs/dbraw/zinc/54/68/65/555546865.db2.gz	KKFOCULDYZFJPV-XRHLQHRESA-N	0	0	434.495	5.773	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)cc1OC	ZINC000000709672	555546885	/nfs/dbraw/zinc/54/68/85/555546885.db2.gz	BMGCNEXJQXCUPY-QYBDOPJKSA-N	0	0	427.504	5.078	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000710782	555547079	/nfs/dbraw/zinc/54/70/79/555547079.db2.gz	WUMXPTFQJQQTPD-NPMXOYFQSA-N	0	0	440.490	6.746	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2	ZINC000000717698	555549175	/nfs/dbraw/zinc/54/91/75/555549175.db2.gz	UZUXXFJQRCTHNQ-HJPURHCSSA-N	0	0	437.561	5.070	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@@H](c1cccs1)C2	ZINC000000717697	555549231	/nfs/dbraw/zinc/54/92/31/555549231.db2.gz	UZUXXFJQRCTHNQ-QMHKHESXSA-N	0	0	437.561	5.070	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1cccs1)C2	ZINC000000717695	555549241	/nfs/dbraw/zinc/54/92/41/555549241.db2.gz	UZUXXFJQRCTHNQ-WAIKUNEKSA-N	0	0	437.561	5.070	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc1O	ZINC000000718067	555549355	/nfs/dbraw/zinc/54/93/55/555549355.db2.gz	LEWZYXRJQLNBGU-DXPJPUQTSA-N	0	0	446.934	6.034	50	30	biogenic,in-vitro	IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC	ZINC000000720129	555549694	/nfs/dbraw/zinc/54/96/94/555549694.db2.gz	SUQRXGNRUNKAAR-MYYSRTQBSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)c(OC)c1	ZINC000000720525	555549730	/nfs/dbraw/zinc/54/97/30/555549730.db2.gz	GFHWUBIEAVZQDB-SGANQWHYSA-N	0	0	432.545	5.745	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1	ZINC000000720678	555549972	/nfs/dbraw/zinc/54/99/72/555549972.db2.gz	GTMALCFWCWTLHG-QUGAMOGWSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000000721236	555550226	/nfs/dbraw/zinc/55/02/26/555550226.db2.gz	QMPAZLQZGXTCEK-LWMHEAGWSA-N	0	0	425.484	5.186	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cc2c(cc1Br)OCO2	ZINC000000756486	555554155	/nfs/dbraw/zinc/55/41/55/555554155.db2.gz	LBXRTSABDOEHLK-NRFANRHFSA-N	0	0	441.325	5.400	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781188	555555058	/nfs/dbraw/zinc/55/50/58/555555058.db2.gz	VCCPBBWFNKCBSJ-KSFYIVLOSA-N	0	0	439.602	5.657	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781187	555555072	/nfs/dbraw/zinc/55/50/72/555555072.db2.gz	VCCPBBWFNKCBSJ-ZHRRBRCNSA-N	0	0	439.602	5.657	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781256	555555128	/nfs/dbraw/zinc/55/51/28/555555128.db2.gz	LNQPVILKDZBTBG-AOMKIAJQSA-N	0	0	425.525	5.200	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000000781285	555555245	/nfs/dbraw/zinc/55/52/45/555555245.db2.gz	VNTBBYYGWZQXCW-SBUREZEXSA-N	0	0	437.561	5.015	50	30		IKEARN
Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccncc2)cc1C	ZINC000000796358	555558027	/nfs/dbraw/zinc/55/80/27/555558027.db2.gz	ZPGMSDHMRPCEOZ-UHFFFAOYSA-N	0	0	429.549	5.195	50	30		IKEARN
COc1ccc(-c2oc(/N=C/c3ccc(O)cc3O)c(C#N)c2-c2ccc(OC)cc2)cc1	ZINC000000805321	555560033	/nfs/dbraw/zinc/56/00/33/555560033.db2.gz	ZWONKGKGRLMVDS-RWPZCVJISA-N	0	0	440.455	5.664	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000000808704	555560328	/nfs/dbraw/zinc/56/03/28/555560328.db2.gz	RYGONUJZKYOZNN-MMTVBGGISA-N	0	0	440.543	6.073	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)c(O)c2)cc1	ZINC000000812877	555561190	/nfs/dbraw/zinc/56/11/90/555561190.db2.gz	NKZJACGFXGJYRH-CLYVBNDRSA-N	0	0	442.515	5.389	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(Cl)c1O	ZINC000000812932	555561229	/nfs/dbraw/zinc/56/12/29/555561229.db2.gz	OSQNVTKXOKFBHH-LMKMVOKYSA-N	0	0	446.934	6.034	50	30	in-vitro	IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl	ZINC000000815897	555562067	/nfs/dbraw/zinc/56/20/67/555562067.db2.gz	SRSOJXJDJDRYLG-LFBSBKMHSA-N	0	0	431.319	5.224	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1OC	ZINC000000815786	555562083	/nfs/dbraw/zinc/56/20/83/555562083.db2.gz	NOXGFUIHZRXLNU-XHCCPWGMSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1O	ZINC000000815818	555562087	/nfs/dbraw/zinc/56/20/87/555562087.db2.gz	ZUFFGJVOIPXCQQ-UZTOHYMASA-N	0	0	426.516	5.689	50	30		IKEARN
CC(=O)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000000815809	555562144	/nfs/dbraw/zinc/56/21/44/555562144.db2.gz	TZUWKRAYJMAJJN-CRICUBBOSA-N	0	0	430.529	5.653	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(F)cc1	ZINC000000844130	555568429	/nfs/dbraw/zinc/56/84/29/555568429.db2.gz	SJNPZJQFLYAIKK-GAJHUEQPSA-N	0	0	439.914	5.404	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(SC)cc2)cc1	ZINC000000856556	555571469	/nfs/dbraw/zinc/57/14/69/555571469.db2.gz	LZWMCIHUFKFIJD-WINIVTDRSA-N	0	0	442.584	6.397	50	30		IKEARN
COc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000000861345	555572359	/nfs/dbraw/zinc/57/23/59/555572359.db2.gz	FAGKBBGHAXKAHP-MRDQGFSESA-N	0	0	430.935	6.328	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000000861349	555572750	/nfs/dbraw/zinc/57/27/50/555572750.db2.gz	IXPGNTPEPUTNDM-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
Cc1ccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CC(C)(C)C3)o1	ZINC000000864952	555573538	/nfs/dbraw/zinc/57/35/38/555573538.db2.gz	DRRRJIXDFCOCNZ-RUZDIDTESA-N	0	0	426.516	6.041	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2F)cc1	ZINC000000883135	555578092	/nfs/dbraw/zinc/57/80/92/555578092.db2.gz	LBODXLCIFUOJRU-AKJBCIBTSA-N	0	0	432.470	5.953	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(O)cc2)cc1OC	ZINC000000883249	555578117	/nfs/dbraw/zinc/57/81/17/555578117.db2.gz	NOHJYOJEXDRYDO-XRHLQHRESA-N	0	0	442.515	5.389	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1	ZINC000000883141	555578159	/nfs/dbraw/zinc/57/81/59/555578159.db2.gz	LBODXLCIFUOJRU-DXPJPUQTSA-N	0	0	432.470	5.953	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1	ZINC000000949374	555588742	/nfs/dbraw/zinc/58/87/42/555588742.db2.gz	WHOUHYVNOIUUCL-UHFFFAOYSA-N	0	0	429.354	5.849	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2	ZINC000000970924	555591564	/nfs/dbraw/zinc/59/15/64/555591564.db2.gz	CSZDKWFUAMZIAD-GKVSMKOHSA-N	0	0	434.461	6.685	50	30		IKEARN
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000000979665	555593125	/nfs/dbraw/zinc/59/31/25/555593125.db2.gz	NPGCYKHHXMQEJR-UHFFFAOYSA-N	0	0	437.580	5.409	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1	ZINC000000986587	555594955	/nfs/dbraw/zinc/59/49/55/555594955.db2.gz	ZTASUGYKTPNPGU-AFMDSPMNSA-N	0	0	442.584	6.305	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@H]2c1ccccc1F	ZINC000000994273	555598108	/nfs/dbraw/zinc/59/81/08/555598108.db2.gz	IDEJIUWRQXBXJY-FQEVSTJZSA-N	0	0	432.417	5.531	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(Cl)cccc1Cl	ZINC000000997879	555599312	/nfs/dbraw/zinc/59/93/12/555599312.db2.gz	VGODSZIIWZSODU-QFIPXVFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccc(Cl)cc2)C2=C(CCCC2=O)N1	ZINC000001010072	555601694	/nfs/dbraw/zinc/60/16/94/555601694.db2.gz	DXFSOTSALOYCFM-OAQYLSRUSA-N	0	0	449.963	5.556	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)ON=C1CSC(C)SC1	ZINC000001024001	555603990	/nfs/dbraw/zinc/60/39/90/555603990.db2.gz	FXAPPZKKIJNVFW-UHFFFAOYSA-N	0	0	432.354	5.687	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2	ZINC000001041020	555610022	/nfs/dbraw/zinc/61/00/22/555610022.db2.gz	BCPIAOICEJLSCK-VWLOTQADSA-N	0	0	426.564	5.556	50	30		IKEARN
COc1cccc(/C=N/c2cc(/N=C/c3cccc(OC)c3O)cc(C(F)(F)F)c2)c1O	ZINC000001048197	555611772	/nfs/dbraw/zinc/61/17/72/555611772.db2.gz	HUJYZMXLPFPJOW-ZDMXEENZSA-N	0	0	444.409	5.635	50	30		IKEARN
Cc1ccc(O/C(=N/C2(C(Cl)(Cl)Cl)Oc3ccccc3O2)C(F)(F)F)cc1	ZINC000001050512	555612966	/nfs/dbraw/zinc/61/29/66/555612966.db2.gz	ICGBZBANGVXHDJ-ZVHZXABRSA-N	0	0	440.632	5.830	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccs1	ZINC000001066833	555618736	/nfs/dbraw/zinc/61/87/36/555618736.db2.gz	SEFUVLYZRQMWHS-OYHNWAKOSA-N	0	0	427.953	5.326	50	30		IKEARN
COc1ccccc1[C@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccccc1F	ZINC000001074521	555623256	/nfs/dbraw/zinc/62/32/56/555623256.db2.gz	XDKMKSMRMGPQFU-CRICUBBOSA-N	0	0	449.522	5.148	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001077209	555624586	/nfs/dbraw/zinc/62/45/86/555624586.db2.gz	RBQJCXIQDJZMJG-DCFHFQCYSA-N	0	0	426.585	6.696	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000001077000	555624593	/nfs/dbraw/zinc/62/45/93/555624593.db2.gz	QEBMURGLDOWRRC-FATZIPQQSA-N	0	0	441.383	7.034	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000001077003	555624656	/nfs/dbraw/zinc/62/46/56/555624656.db2.gz	QEBMURGLDOWRRC-QKFKETGDSA-N	0	0	441.383	7.034	50	30		IKEARN
Cn1cccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)c1ccccc1	ZINC000001084147	555626206	/nfs/dbraw/zinc/62/62/06/555626206.db2.gz	IASDRNVNEONLOG-RUZDIDTESA-N	0	0	425.532	5.482	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1	ZINC000001082102	555626212	/nfs/dbraw/zinc/62/62/12/555626212.db2.gz	KCENSAJUJSBWMW-FDDCHVKYSA-N	0	0	436.939	5.048	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107161	555629569	/nfs/dbraw/zinc/62/95/69/555629569.db2.gz	RFRLKHBOFUCJLI-GKVSMKOHSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001107176	555629624	/nfs/dbraw/zinc/62/96/24/555629624.db2.gz	KVBFJHWUHYHGJR-CRICUBBOSA-N	0	0	445.906	6.228	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001120524	555637276	/nfs/dbraw/zinc/63/72/76/555637276.db2.gz	COVPLLUFWZDQIK-FYYLOGMGSA-N	0	0	433.548	5.050	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001123519	555639047	/nfs/dbraw/zinc/63/90/47/555639047.db2.gz	BHOVGMRNGZGRNQ-NIYFSFCBSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2[N+](=O)[O-])cc1	ZINC000001123570	555639121	/nfs/dbraw/zinc/63/91/21/555639121.db2.gz	CJXMQLAXIVLDAD-QYBDOPJKSA-N	0	0	425.488	5.883	50	30		IKEARN
NC1=C(C(=O)c2ccccc2)[C@H](c2cccs2)C2=C(CCCC2=O)N1c1ccccc1	ZINC000001126438	555641067	/nfs/dbraw/zinc/64/10/67/555641067.db2.gz	DEYAMEJWYONLPR-HSZRJFAPSA-N	0	0	426.541	5.412	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1	ZINC000001130160	555643968	/nfs/dbraw/zinc/64/39/68/555643968.db2.gz	SAXCBFNQTZAPLH-DVECYGJZSA-N	0	0	433.573	5.333	50	30		IKEARN
Cc1ccc(C(=O)C2=C(N)N(c3cccnc3)C3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1	ZINC000001130416	555644166	/nfs/dbraw/zinc/64/41/66/555644166.db2.gz	RSQCHAOFARIGAM-QHCPKHFHSA-N	0	0	441.556	5.116	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000001132841	555645729	/nfs/dbraw/zinc/64/57/29/555645729.db2.gz	OAGBZAFLRCGTBD-YCRPNKLZSA-N	0	0	445.437	5.223	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000001132870	555645755	/nfs/dbraw/zinc/64/57/55/555645755.db2.gz	QHBICNYMJNTCBC-XCLFUZPHSA-N	0	0	432.303	5.121	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000001132872	555645774	/nfs/dbraw/zinc/64/57/74/555645774.db2.gz	QHBICNYMJNTCBC-RNODOKPDSA-N	0	0	432.303	5.121	50	30		IKEARN
CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001135008	555646567	/nfs/dbraw/zinc/64/65/67/555646567.db2.gz	KWZFNXJXMQGOAQ-PIKZIKFNSA-N	0	0	437.543	5.933	50	30		IKEARN
CC(=O)Nc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000001135007	555646606	/nfs/dbraw/zinc/64/66/06/555646606.db2.gz	KWZFNXJXMQGOAQ-KMRXNPHXSA-N	0	0	437.543	5.933	50	30		IKEARN
O=C1Nc2ccccc2/C1=C1/S/C(=N\c2ccc(F)cc2)N(c2ccc(F)cc2)C1=O	ZINC000001136722	555647183	/nfs/dbraw/zinc/64/71/83/555647183.db2.gz	XXXZJQNYFCICPR-LWHDSRAQSA-N	0	0	433.439	5.096	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc(Br)cc1	ZINC000001146419	555653774	/nfs/dbraw/zinc/65/37/74/555653774.db2.gz	PLXXREVEQJNVMN-UHFFFAOYSA-N	0	0	449.300	5.499	50	30		IKEARN
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000001147919	555654722	/nfs/dbraw/zinc/65/47/22/555654722.db2.gz	AWIYDOPOGWXPKE-GKVSMKOHSA-N	0	0	429.451	5.713	50	30		IKEARN
O=C1CCCC2=C1C(c1cccc(OCc3ccc([N+](=O)[O-])cc3)c1)C1=C(CCCC1=O)O2	ZINC000001157975	555660180	/nfs/dbraw/zinc/66/01/80/555660180.db2.gz	UEVIYBPWEKTELK-UHFFFAOYSA-N	0	0	445.471	5.302	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1cccc(Br)c1	ZINC000001171356	555666793	/nfs/dbraw/zinc/66/67/93/555666793.db2.gz	YTQYBNLISSVMAD-QHCPKHFHSA-N	0	0	433.349	6.307	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccsc2)C2=C(CCCC2=O)N1	ZINC000001175441	555669429	/nfs/dbraw/zinc/66/94/29/555669429.db2.gz	ABSKUYHPUOTOHA-IBGZPJMESA-N	0	0	432.467	5.374	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000001184508	555673435	/nfs/dbraw/zinc/67/34/35/555673435.db2.gz	XWIKZAASTVWJOU-IERDGZPVSA-N	0	0	427.591	5.370	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl	ZINC000001201879	555678813	/nfs/dbraw/zinc/67/88/13/555678813.db2.gz	NICAULMNTWUNIH-IVZQSRNASA-N	0	0	442.342	5.528	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202585	555679095	/nfs/dbraw/zinc/67/90/95/555679095.db2.gz	VAHSKKMELNMDEV-DFBJGRDBSA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202514	555679104	/nfs/dbraw/zinc/67/91/04/555679104.db2.gz	JEBIZTUAMZAJHH-HFZDXXHNSA-N	0	0	427.544	5.534	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202719	555679430	/nfs/dbraw/zinc/67/94/30/555679430.db2.gz	BRXDEBWFHMZQRS-FNZWTVRRSA-N	0	0	445.534	5.673	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(F)c2)cc1	ZINC000001204087	555679657	/nfs/dbraw/zinc/67/96/57/555679657.db2.gz	NOCCFNHRVZGIOG-DEOSSOPVSA-N	0	0	449.522	5.182	50	30		IKEARN
Cc1ccc2c(c1)N[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000001216813	555684241	/nfs/dbraw/zinc/68/42/41/555684241.db2.gz	XLAHUQIIMZNDHU-BCHFMIIMSA-N	0	0	425.488	5.883	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCc1ccccc1	ZINC000001219402	555685353	/nfs/dbraw/zinc/68/53/53/555685353.db2.gz	FMXRLXNNXMDUPU-XMMPIXPASA-N	0	0	437.495	5.007	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccccc4Cl)nn3[C@H](c3cccc(F)c3)C12	ZINC000001283583	555689029	/nfs/dbraw/zinc/68/90/29/555689029.db2.gz	PLNBLLCZNYBXKP-HXUWFJFHSA-N	0	0	440.931	5.385	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2)C1C(=O)c1ccccc1	ZINC000001431392	555696492	/nfs/dbraw/zinc/69/64/92/555696492.db2.gz	AKLNFTWAEIPCCY-QFIPXVFZSA-N	0	0	444.332	5.971	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccc(OC)c2)C3)c1	ZINC000001434811	555696869	/nfs/dbraw/zinc/69/68/69/555696869.db2.gz	UEJVMKHATLIVQX-WTYVLRPYSA-N	0	0	440.543	6.073	50	30		IKEARN
CSc1nnc(N2C(=O)C[C@@H](c3ccccc3Cl)C3=C2CC(C)(C)CC3=O)s1	ZINC000001445851	555698729	/nfs/dbraw/zinc/69/87/29/555698729.db2.gz	QSXDDHOJLANZIU-LBPRGKRZSA-N	0	0	433.986	5.077	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2	ZINC000001445920	555699018	/nfs/dbraw/zinc/69/90/18/555699018.db2.gz	ZFRJQLJGTOIGFV-QYBDOPJKSA-N	0	0	435.479	6.120	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2	ZINC000001445919	555699052	/nfs/dbraw/zinc/69/90/52/555699052.db2.gz	ZFRJQLJGTOIGFV-HFJWLAOPSA-N	0	0	435.479	6.120	50	30		IKEARN
CN(C)c1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000001459246	555700241	/nfs/dbraw/zinc/70/02/41/555700241.db2.gz	AWCFAQPUAJPTMI-PPHZAIPVSA-N	0	0	427.523	5.871	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000001458721	555700274	/nfs/dbraw/zinc/70/02/74/555700274.db2.gz	VJVHKTKWGJZVPO-BDYUSTAISA-N	0	0	431.535	6.396	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(-c2ccccc2)cc1	ZINC000001458719	555700340	/nfs/dbraw/zinc/70/03/40/555700340.db2.gz	VJVHKTKWGJZVPO-XNMGPUDCSA-N	0	0	431.535	6.396	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000001467859	555701117	/nfs/dbraw/zinc/70/11/17/555701117.db2.gz	KGWJKHNQEUXZHS-HFJWLAOPSA-N	0	0	441.487	5.583	50	30		IKEARN
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000001764016	555712804	/nfs/dbraw/zinc/71/28/04/555712804.db2.gz	GYFJFORLMLPDHU-OAQYLSRUSA-N	0	0	443.981	5.481	50	30		IKEARN
COc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C/c3ccccc3OC)cc2)cc1	ZINC000001882088	555722242	/nfs/dbraw/zinc/72/22/42/555722242.db2.gz	HKYJFJYBGMISHG-CZYCKNNWSA-N	0	0	436.511	6.997	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC	ZINC000002030976	555727942	/nfs/dbraw/zinc/72/79/42/555727942.db2.gz	QXWKCICSFIXFJP-HSZRJFAPSA-N	0	0	441.568	5.041	50	30		IKEARN
CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccc(O)cc31)O2	ZINC000002049080	555728361	/nfs/dbraw/zinc/72/83/61/555728361.db2.gz	ROWVTODRWLDREG-LJAQVGFWSA-N	0	0	442.603	7.495	50	30		IKEARN
Clc1ccccc1/C=N/c1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1	ZINC000002051778	555729221	/nfs/dbraw/zinc/72/92/21/555729221.db2.gz	NXJXNXLKSDAELX-TWKHWXDSSA-N	0	0	433.942	7.610	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000002055496	555730563	/nfs/dbraw/zinc/73/05/63/555730563.db2.gz	MIGNWMISBXVCAV-HXUWFJFHSA-N	0	0	447.959	5.002	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C	ZINC000002055452	555730600	/nfs/dbraw/zinc/73/06/00/555730600.db2.gz	AHEKUNMMNLALIW-XMMPIXPASA-N	0	0	439.596	5.811	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C[C@@H]2CCCO2)C1=O	ZINC000002057535	555731057	/nfs/dbraw/zinc/73/10/57/555731057.db2.gz	SYSLHZGKUNLUIS-OTZCALNNSA-N	0	0	442.968	5.522	50	30		IKEARN
Cc1ccc(/N=C/c2ccc(OCc3ccccc3)cc2)cc1I	ZINC000002059557	555731442	/nfs/dbraw/zinc/73/14/42/555731442.db2.gz	SQECGMGRURQSPK-OEAKJJBVSA-N	0	0	427.285	5.929	50	30		IKEARN
CC1(C)C[C@@H](n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)CCO1	ZINC000002060632	555731668	/nfs/dbraw/zinc/73/16/68/555731668.db2.gz	XHTPKSASFCGETM-IBGZPJMESA-N	0	0	449.620	5.414	50	30		IKEARN
CCCCCCCOC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1	ZINC000002062753	555732462	/nfs/dbraw/zinc/73/24/62/555732462.db2.gz	WXDSFPLZUYEPTP-UHFFFAOYSA-N	0	0	434.319	5.921	50	30		IKEARN
C=CCOc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000002063383	555732708	/nfs/dbraw/zinc/73/27/08/555732708.db2.gz	BWUFOBOFNRYJEX-MUUNZHRXSA-N	0	0	439.555	6.723	50	30		IKEARN
Cc1cccc(N2C3=C(C(=O)c4ccccc43)[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)c1	ZINC000002063453	555732721	/nfs/dbraw/zinc/73/27/21/555732721.db2.gz	MFLUFMCINVVGNQ-AREMUKBSSA-N	0	0	445.562	6.850	50	30		IKEARN
C=CCOc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000002063384	555732787	/nfs/dbraw/zinc/73/27/87/555732787.db2.gz	BWUFOBOFNRYJEX-NDEPHWFRSA-N	0	0	439.555	6.723	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000002066317	555733314	/nfs/dbraw/zinc/73/33/14/555733314.db2.gz	UOHPYJANHWBUCN-XMMPIXPASA-N	0	0	438.612	5.480	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC	ZINC000002066956	555733684	/nfs/dbraw/zinc/73/36/84/555733684.db2.gz	VMRRVSTVCGTUNH-QHCPKHFHSA-N	0	0	425.569	5.423	50	30		IKEARN
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Cl)c(Cl)c1	ZINC000002066928	555733695	/nfs/dbraw/zinc/73/36/95/555733695.db2.gz	RCXMEQWTKYVIIY-QLNITERQSA-N	0	0	448.400	6.154	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4o3)cc2C)c1O	ZINC000002067733	555733967	/nfs/dbraw/zinc/73/39/67/555733967.db2.gz	BTERVLSHRYNREA-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
O=C(Oc1ccc(/C=C2\Sc3ccccc3C2=O)cc1)c1cc(Cl)ccc1Cl	ZINC000002068760	555734023	/nfs/dbraw/zinc/73/40/23/555734023.db2.gz	FWVAUVWZIOZWNX-JAIQZWGSSA-N	0	0	427.308	6.542	50	30		IKEARN
Clc1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1Cl	ZINC000002067906	555734039	/nfs/dbraw/zinc/73/40/39/555734039.db2.gz	FAGKMJJHPRBFMV-BHGWPJFGSA-N	0	0	446.131	7.315	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1OCCCC	ZINC000002069363	555734241	/nfs/dbraw/zinc/73/42/41/555734241.db2.gz	UFXODLYHZPYKRY-XMMPIXPASA-N	0	0	425.569	5.567	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000002069357	555734261	/nfs/dbraw/zinc/73/42/61/555734261.db2.gz	JOVBHZCZJRRXEQ-HSZRJFAPSA-N	0	0	441.568	5.041	50	30		IKEARN
CCOC(=O)C(=NNc1ccc(C)cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1	ZINC000002073218	555735330	/nfs/dbraw/zinc/73/53/30/555735330.db2.gz	OFDGIRDYFFEQAE-SZXQPVLSSA-N	0	0	449.532	5.217	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccccc2Cl)C(=O)N1c1ccccc1CC	ZINC000002081788	555738405	/nfs/dbraw/zinc/73/84/05/555738405.db2.gz	ZLIKNLUFMVQUGZ-NMRWETQTSA-N	0	0	447.003	7.273	50	30		IKEARN
CCCOc1ccccc1/C=C1\S/C(=N\c2ccccc2C)N(c2ccccc2C)C1=O	ZINC000002082317	555738666	/nfs/dbraw/zinc/73/86/66/555738666.db2.gz	OOPHUGDEBSWVEU-ZEHKLFRWSA-N	0	0	442.584	6.901	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C	ZINC000002093014	555741439	/nfs/dbraw/zinc/74/14/39/555741439.db2.gz	XYNRMYPDJUIFHA-YWROOUKNSA-N	0	0	429.501	6.020	50	30		IKEARN
COc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC	ZINC000002095657	555741974	/nfs/dbraw/zinc/74/19/74/555741974.db2.gz	RBRZIZZMGSUBAI-JXKYSLRESA-N	0	0	444.556	6.129	50	30		IKEARN
Cc1nn(C)cc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CC[C@H](C(C)(C)C)C2	ZINC000002112732	555744433	/nfs/dbraw/zinc/74/44/33/555744433.db2.gz	SVHWGRXZNDGIFN-NEOOYVHHSA-N	0	0	440.657	5.754	50	30		IKEARN
CCCCCCCSc1nc(=O)c2sc3c(c2n1Cc1ccccc1)CCCC3	ZINC000002127310	555745933	/nfs/dbraw/zinc/74/59/33/555745933.db2.gz	MCIBFYLGUGOLHO-UHFFFAOYSA-N	0	0	426.651	6.448	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1C	ZINC000002125556	555745940	/nfs/dbraw/zinc/74/59/40/555745940.db2.gz	BAQGGTWHWFIMHJ-LMTJQJACSA-N	0	0	428.557	5.676	50	30		IKEARN
CCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2	ZINC000002128275	555745943	/nfs/dbraw/zinc/74/59/43/555745943.db2.gz	YRMZPQARRFYNIE-UHFFFAOYSA-N	0	0	436.592	6.656	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc12	ZINC000002141525	555748263	/nfs/dbraw/zinc/74/82/63/555748263.db2.gz	QXBDYDYTACEPOV-PFMNSIPKSA-N	0	0	432.545	5.489	50	30		IKEARN
O=C(Oc1cccc(C(F)(F)F)c1)c1cnn2c1nc(C(F)(F)F)cc2C(F)(F)F	ZINC000002142260	555748435	/nfs/dbraw/zinc/74/84/35/555748435.db2.gz	JTCUHEXZNMQKPF-UHFFFAOYSA-N	0	0	443.225	5.005	50	30		IKEARN
Clc1ccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1	ZINC000002166300	555751461	/nfs/dbraw/zinc/75/14/61/555751461.db2.gz	VXBTWDQTPZPEPN-MZJWZYIUSA-N	0	0	433.294	7.812	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(CC(C)C)C2=O)cc(Cl)c1O	ZINC000002174465	555752384	/nfs/dbraw/zinc/75/23/84/555752384.db2.gz	YASOULSQRVOPLY-WRANEOQNSA-N	0	0	430.957	5.704	50	30		IKEARN
Cc1cccc(NC2=NC(=S)N(c3ccc(C)cc3Br)C23CCCCC3)c1	ZINC000002187642	555755466	/nfs/dbraw/zinc/75/54/66/555755466.db2.gz	INXQBBLOWACHNY-UHFFFAOYSA-N	0	0	442.426	6.605	50	30		IKEARN
CCCCCCCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1	ZINC000002187612	555755482	/nfs/dbraw/zinc/75/54/82/555755482.db2.gz	RRUPSCUCZSIRMV-UHFFFAOYSA-N	0	0	437.587	7.054	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)ccc1O	ZINC000002188165	555755903	/nfs/dbraw/zinc/75/59/03/555755903.db2.gz	WOBPYWLILPGBNJ-GZAOZUBMSA-N	0	0	430.529	5.826	50	30		IKEARN
O=C(NC(=O)c1c(F)cccc1F)Nc1ccccc1SC(F)(F)C(F)(F)F	ZINC000002191524	555756507	/nfs/dbraw/zinc/75/65/07/555756507.db2.gz	LGTQKCOWVXLPKJ-UHFFFAOYSA-N	0	0	426.313	5.174	50	30		IKEARN
COCCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)S/C1=N\c1ccccc1	ZINC000002252645	555762534	/nfs/dbraw/zinc/76/25/34/555762534.db2.gz	YAQQDEQVRJHYNY-OBUXZSPNSA-N	0	0	431.561	5.345	50	30		IKEARN
COc1ccc2c(c1)C(=C1SC(C(C)=O)=C(c3ccccc3)S1)C(=S)C(C)(C)N2	ZINC000002270495	555764087	/nfs/dbraw/zinc/76/40/87/555764087.db2.gz	CEGRGVVMJBBEEU-RELWKKBWSA-N	0	0	439.627	6.376	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@H](c3ccc(OCc4ccccc4)cc3)C12	ZINC000002291771	555765897	/nfs/dbraw/zinc/76/58/97/555765897.db2.gz	WEEQQYKTLFDLGJ-GDLZYMKVSA-N	0	0	447.559	7.132	50	30		IKEARN
COc1ccc(/N=C/C2=C(c3cccs3)Oc3ccccc3[C@H]2c2ccccc2C)cc1	ZINC000002294338	555766320	/nfs/dbraw/zinc/76/63/20/555766320.db2.gz	VFZJJXPBAFCJGD-ZOODIOSSSA-N	0	0	437.564	7.403	50	30		IKEARN
Cc1ccccc1C(=O)NC(Nc1ccc(F)c(Cl)c1)(C(F)(F)F)C(F)(F)F	ZINC000002300596	555766592	/nfs/dbraw/zinc/76/65/92/555766592.db2.gz	FYXUEULASVHMRB-UHFFFAOYSA-N	0	0	428.735	5.450	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000002462439	555782947	/nfs/dbraw/zinc/78/29/47/555782947.db2.gz	XEXSXBVLADCZJZ-IBVKSMDESA-N	0	0	443.543	5.240	50	30		IKEARN
Fc1ccc(NC(=S)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1	ZINC000002506451	555784794	/nfs/dbraw/zinc/78/47/94/555784794.db2.gz	IYTCTXLMCSANFW-VULFUBBASA-N	0	0	433.487	5.138	50	30		IKEARN
O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(F)cc2)cc1)c1ccccc1Cl	ZINC000002506507	555785062	/nfs/dbraw/zinc/78/50/62/555785062.db2.gz	JWTFZWZJSWNPDV-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
CCNC(=S)N/N=C/c1c(OC(=O)c2ccc(Cl)cc2Cl)ccc2ccccc21	ZINC000002531256	555786172	/nfs/dbraw/zinc/78/61/72/555786172.db2.gz	OONUYPXTIXJMHD-BRJLIKDPSA-N	0	0	446.359	5.184	50	30		IKEARN
O=C(Oc1cccc(/C=N/NC(=S)Nc2cccc(Cl)c2)c1)c1ccc(Cl)cc1	ZINC000002542587	555786739	/nfs/dbraw/zinc/78/67/39/555786739.db2.gz	RHPMDYYWMWPGAL-ZMOGYAJESA-N	0	0	444.343	5.533	50	30		IKEARN
C=C1SC(Nc2ccc(Sc3ncc(C(F)(F)F)cc3Cl)cc2)=NC1(C)C	ZINC000002562197	555787559	/nfs/dbraw/zinc/78/75/59/555787559.db2.gz	SRJXHAUIZZZEGT-UHFFFAOYSA-N	0	0	429.920	6.521	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@H](c1ccccc1)N(Cc1ccccc1F)CC2	ZINC000034667496	555791715	/nfs/dbraw/zinc/79/17/15/555791715.db2.gz	YPWTUUKWFBFQLO-HRFSGMKKSA-N	0	0	444.550	5.043	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccccc1F	ZINC000002727245	555803144	/nfs/dbraw/zinc/80/31/44/555803144.db2.gz	MYDTUXQZYKGFBP-NSYGIPOTSA-N	0	0	449.522	5.149	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(C)cc1	ZINC000002740694	555807429	/nfs/dbraw/zinc/80/74/29/555807429.db2.gz	PKAPHACYLSPAAN-DVECYGJZSA-N	0	0	435.951	5.573	50	30		IKEARN
O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Cl)cc1Cl	ZINC000002743198	555807609	/nfs/dbraw/zinc/80/76/09/555807609.db2.gz	RWICWDKYSUSCFU-AUWJEWJLSA-N	0	0	428.138	5.648	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1	ZINC000002757848	555811461	/nfs/dbraw/zinc/81/14/61/555811461.db2.gz	RWXTWGDPYNQHNG-BWKNWUBXSA-N	0	0	447.600	5.345	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000002757849	555811560	/nfs/dbraw/zinc/81/15/60/555811560.db2.gz	RWXTWGDPYNQHNG-PXDATVDWSA-N	0	0	447.600	5.345	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(CC)cc1	ZINC000002757374	555811563	/nfs/dbraw/zinc/81/15/63/555811563.db2.gz	LROSTCZLJWODRG-GJZUVCINSA-N	0	0	429.560	5.564	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000002758043	555811859	/nfs/dbraw/zinc/81/18/59/555811859.db2.gz	URHCQHNCKYUNEI-DVECYGJZSA-N	0	0	435.951	5.653	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1Cl	ZINC000002775344	555817534	/nfs/dbraw/zinc/81/75/34/555817534.db2.gz	ZFAYHMDKIHHFJC-KOSHJBKYSA-N	0	0	435.951	5.655	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccc(Cl)c1	ZINC000002784244	555820108	/nfs/dbraw/zinc/82/01/08/555820108.db2.gz	YNMSAXPRGZAOGJ-CYFREDJKSA-N	0	0	435.951	5.655	50	30		IKEARN
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002784240	555820163	/nfs/dbraw/zinc/82/01/63/555820163.db2.gz	HRYVBDGISUPMBJ-AREMUKBSSA-N	0	0	445.559	5.400	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc2c(cc1Cl)OCO2	ZINC000002801388	555824421	/nfs/dbraw/zinc/82/44/21/555824421.db2.gz	JTOFCINAFOCETG-OAQYLSRUSA-N	0	0	445.943	5.016	50	30		IKEARN
C=CCOc1ccc(-c2nc(C(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1OC	ZINC000034712240	555825521	/nfs/dbraw/zinc/82/55/21/555825521.db2.gz	MUQFGMPMIVBGPL-UHFFFAOYSA-N	0	0	434.439	5.655	50	30		IKEARN
COc1ccc(OC)c(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1	ZINC000002807305	555826644	/nfs/dbraw/zinc/82/66/44/555826644.db2.gz	YVSUAAIWHCGNFG-LMTJQJACSA-N	0	0	444.556	6.129	50	30		IKEARN
CSc1nnc(-c2ccccc2)n1/N=C/c1ccccc1OCc1ccccc1Cl	ZINC000002825162	555830998	/nfs/dbraw/zinc/83/09/98/555830998.db2.gz	YYCMIARIGDHWHY-MFKUBSTISA-N	0	0	434.952	5.782	50	30		IKEARN
CCN1C(=O)/C(=C/c2cn(CCC#N)nc2-c2ccc(-c3ccccc3)cc2)SC1=S	ZINC000002829584	555831607	/nfs/dbraw/zinc/83/16/07/555831607.db2.gz	ZJSPWCKAOBIAGW-QNGOZBTKSA-N	0	0	444.585	5.352	50	30		IKEARN
COc1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(OC)cc4)c(C)c3)cc2C)cc1	ZINC000002832060	555832086	/nfs/dbraw/zinc/83/20/86/555832086.db2.gz	QFJKAORJZKYRHP-GKTLAHRSSA-N	0	0	448.566	7.489	50	30		IKEARN
C=CCOc1ccc(/C=C2\N=C(SCc3ccc(Cl)cc3)SC2=O)cc1OC	ZINC000002834222	555832395	/nfs/dbraw/zinc/83/23/95/555832395.db2.gz	FLHPFACYVWRMEQ-BOPFTXTBSA-N	0	0	431.966	5.817	50	30		IKEARN
Cc1ccc(/N=C/c2cccc(Cl)c2Cl)cc1/N=C/c1cccc(Cl)c1Cl	ZINC000002842442	555836391	/nfs/dbraw/zinc/83/63/91/555836391.db2.gz	YZCVYJDAQDHUHU-LYXAAFRTSA-N	0	0	436.169	8.110	50	30		IKEARN
CCOc1ccccc1/C=N/c1ccc(-c2ccc(/N=C/c3ccccc3OCC)cc2)cc1	ZINC000002842605	555836418	/nfs/dbraw/zinc/83/64/18/555836418.db2.gz	CSDMZJYOJGBKIW-RWRHWQIFSA-N	0	0	448.566	7.652	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000002844516	555836998	/nfs/dbraw/zinc/83/69/98/555836998.db2.gz	HSRHEDXSOZKCBK-YCRPNKLZSA-N	0	0	445.437	5.223	50	30		IKEARN
N#CCCn1cc(CN(Cc2ccccc2)C(=O)c2ccccc2)c(-c2ccc(F)cc2)n1	ZINC000002845772	555837652	/nfs/dbraw/zinc/83/76/52/555837652.db2.gz	CNDJEGRUBVFCCK-UHFFFAOYSA-N	0	0	438.506	5.445	50	30		IKEARN
CC(=O)Nc1c(SC(F)(F)F)cc(SC(F)(F)F)cc1SC(F)(F)F	ZINC000002846214	555837702	/nfs/dbraw/zinc/83/77/02/555837702.db2.gz	GOYPLDCRGURLEF-UHFFFAOYSA-N	0	0	435.358	6.481	50	30		IKEARN
CCOc1ccccc1/C=N/c1ccccc1-c1ccccc1/N=C/c1ccccc1OCC	ZINC000002848736	555838385	/nfs/dbraw/zinc/83/83/85/555838385.db2.gz	VKVCVJLKALCPEZ-RWRHWQIFSA-N	0	0	448.566	7.652	50	30		IKEARN
Cc1cccc(OCCOc2ccc(Cl)cc2/C=N/NC(=S)Nc2ccccc2)c1	ZINC000002850022	555838936	/nfs/dbraw/zinc/83/89/36/555838936.db2.gz	GUWVYLYHOQMPDP-PCLIKHOPSA-N	0	0	439.968	5.427	50	30		IKEARN
CCOc1ccc(/C=N/c2ccccc2-c2ccccc2/N=C/c2ccc(OCC)cc2)cc1	ZINC000002854202	555840811	/nfs/dbraw/zinc/84/08/11/555840811.db2.gz	LXLMGRXYJQOHBY-RWRHWQIFSA-N	0	0	448.566	7.652	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)NC(Nc2ccc(Cl)cc2Cl)=N1	ZINC000002861678	555845161	/nfs/dbraw/zinc/84/51/61/555845161.db2.gz	FJCSJUUHDWLHCA-AWEZNQCLSA-N	0	0	446.121	5.245	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(OC(C)C)cc2)C2=C(CCCC2=O)N1	ZINC000002868468	555848395	/nfs/dbraw/zinc/84/83/95/555848395.db2.gz	KZRBESXBLONNEJ-RUZDIDTESA-N	0	0	431.532	5.185	50	30		IKEARN
CCCCCCCc1ccc2c(N)c(C(=O)c3ccc(Br)cc3)sc2n1	ZINC000002901009	555860580	/nfs/dbraw/zinc/86/05/80/555860580.db2.gz	YZVSKPTVTFPSMJ-UHFFFAOYSA-N	0	0	431.399	6.385	50	30		IKEARN
Cc1ccc(O)c(/C=N/n2c(=O)c3c4c(sc3nc2-c2ccccc2C)CCCC4)c1	ZINC000002986743	555874317	/nfs/dbraw/zinc/87/43/17/555874317.db2.gz	DIEPOURRBYOICO-VULFUBBASA-N	0	0	429.545	5.208	50	30		IKEARN
O=[N+]([O-])c1ccc2nc(Sc3ccc(/C=N/c4ccc5ccccc5c4)o3)sc2c1	ZINC000003086566	555885117	/nfs/dbraw/zinc/88/51/17/555885117.db2.gz	PEHXXUAUQOOUQS-YDZHTSKRSA-N	0	0	431.498	6.853	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000003098420	555886400	/nfs/dbraw/zinc/88/64/00/555886400.db2.gz	IOUHODBDRMQFMG-NRFANRHFSA-N	0	0	448.390	6.083	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000003098422	555886440	/nfs/dbraw/zinc/88/64/40/555886440.db2.gz	VBHXRBFTMHYHBI-NRFANRHFSA-N	0	0	448.390	6.083	50	30		IKEARN
O=C(/C=C\c1ccccc1)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1	ZINC000097332911	555888285	/nfs/dbraw/zinc/88/82/85/555888285.db2.gz	CZUHWWTWBZXVCQ-JAIQZWGSSA-N	0	0	428.491	6.967	50	30		IKEARN
FC(F)(F)c1cccc(-c2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c1	ZINC000003125872	555889639	/nfs/dbraw/zinc/88/96/39/555889639.db2.gz	QHPZTXRNCXXCRP-UHFFFAOYSA-N	0	0	426.238	6.460	50	30		IKEARN
O=C(O/N=C/c1ncc(C(F)(F)F)cc1Sc1ccc(Cl)cc1)c1ccccc1	ZINC000003127561	555889898	/nfs/dbraw/zinc/88/98/98/555889898.db2.gz	UIYRKOIVCWOBQA-RPPGKUMJSA-N	0	0	436.842	6.096	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1ccc(N(C)C)cc1	ZINC000003135292	555890923	/nfs/dbraw/zinc/89/09/23/555890923.db2.gz	RJZCDTOIBANVHY-FOKLQQMPSA-N	0	0	433.295	5.605	50	30		IKEARN
CCOC(=O)c1cc(CC(C)C)sc1/N=C/c1c2c(ccc1O)oc1c2CCCC1	ZINC000003150637	555892379	/nfs/dbraw/zinc/89/23/79/555892379.db2.gz	NQNZIIHCSWWMBK-DHRITJCHSA-N	0	0	425.550	6.205	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(Cl)ccc1Cl)C2=O	ZINC000003195760	555896866	/nfs/dbraw/zinc/89/68/66/555896866.db2.gz	IBGIWYVQVOTBTG-UHFFFAOYSA-N	0	0	448.346	6.311	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc3ccccc31)C2=O	ZINC000003196751	555897176	/nfs/dbraw/zinc/89/71/76/555897176.db2.gz	XBOZAJCIZDUTDR-UHFFFAOYSA-N	0	0	429.516	6.158	50	30		IKEARN
COc1ccc([C@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000034799366	555918702	/nfs/dbraw/zinc/91/87/02/555918702.db2.gz	QMPAZLQZGXTCEK-YQACCMODSA-N	0	0	425.484	5.186	50	30		IKEARN
CCOC(=O)CC1=CS/C(=N/c2cc(C(F)(F)F)ccc2Cl)N(C(C)(C)C)N1	ZINC000003326637	555920974	/nfs/dbraw/zinc/92/09/74/555920974.db2.gz	XYLHOJGYGPBDSJ-XQNSMLJCSA-N	0	0	435.899	5.493	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1cccs1	ZINC000003639486	555943047	/nfs/dbraw/zinc/94/30/47/555943047.db2.gz	AISMWPYDQOWCRL-GYCJOSAFSA-N	0	0	437.561	5.072	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@@H]1c1cccs1	ZINC000003639482	555943094	/nfs/dbraw/zinc/94/30/94/555943094.db2.gz	AISMWPYDQOWCRL-UPCLLVRISA-N	0	0	437.561	5.072	50	30		IKEARN
Cc1ccc(C(=O)C2=C3Sc4ccccc4N3C[C@@H](C(=O)c3ccc(C)cc3)C2)cc1	ZINC000003648539	555943900	/nfs/dbraw/zinc/94/39/00/555943900.db2.gz	WNIMNXOYTCWXFQ-NRFANRHFSA-N	0	0	425.553	6.213	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1	ZINC000003768575	555945997	/nfs/dbraw/zinc/94/59/97/555945997.db2.gz	CAUZIJFGNYRKKO-ZMRQUTOFSA-N	0	0	447.482	5.160	50	30		IKEARN
COc1ccc(C[NH+]=Cc2c(=O)n(-c3nc4ccccc4s3)[n-]c2-c2ccccc2)cc1	ZINC000003878056	555950255	/nfs/dbraw/zinc/95/02/55/555950255.db2.gz	SLMOBIACZVPCCS-WGOQTCKBSA-N	0	0	440.528	5.070	50	30		IKEARN
O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(-c2ccccc2)cc1	ZINC000004030937	555953895	/nfs/dbraw/zinc/95/38/95/555953895.db2.gz	KIFCNWJRTXNGKJ-ILUFSXPBSA-N	0	0	428.535	7.100	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc3ccccc32)cc1	ZINC000004046888	555955296	/nfs/dbraw/zinc/95/52/96/555955296.db2.gz	IBSKXRMGHUTOPQ-DFXYEROKSA-N	0	0	446.550	6.828	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000004047855	555955592	/nfs/dbraw/zinc/95/55/92/555955592.db2.gz	AGQNVTZMIXEHKC-KPURRNSFSA-N	0	0	437.587	6.512	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004060374	555956483	/nfs/dbraw/zinc/95/64/83/555956483.db2.gz	KXTDPSFRKVEGGC-FQRUVTKNSA-N	0	0	445.559	5.400	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004061668	555956929	/nfs/dbraw/zinc/95/69/29/555956929.db2.gz	SEXTWCBGUMZWDP-DEOSSOPVSA-N	0	0	437.580	5.565	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2c(F)cccc2Cl)cc1	ZINC000004064502	555957243	/nfs/dbraw/zinc/95/72/43/555957243.db2.gz	XSNLCTYJONDVHU-YHAMSUFESA-N	0	0	448.925	6.467	50	30	biogenic,in-vitro	IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=C1[C@H](c1ccccc1Cl)Nc1ccccc1N2	ZINC000004065501	555957399	/nfs/dbraw/zinc/95/73/99/555957399.db2.gz	WPJSWEYGXJTELH-LMKMVOKYSA-N	0	0	435.354	6.973	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1	ZINC000004065121	555957410	/nfs/dbraw/zinc/95/74/10/555957410.db2.gz	HFWYMXXBUFGSLR-XHCCPWGMSA-N	0	0	444.962	6.718	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccccc1Cl)Nc1ccccc1N2	ZINC000004065503	555957495	/nfs/dbraw/zinc/95/74/95/555957495.db2.gz	WPJSWEYGXJTELH-PUAOIOHZSA-N	0	0	435.354	6.973	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)c1	ZINC000004075115	555958336	/nfs/dbraw/zinc/95/83/36/555958336.db2.gz	CFAAYVLWXFPNFY-DNOBIOAJSA-N	0	0	440.499	5.403	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000004078025	555958341	/nfs/dbraw/zinc/95/83/41/555958341.db2.gz	NNEXSNHINRWDGU-PUAOIOHZSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000004078857	555958595	/nfs/dbraw/zinc/95/85/95/555958595.db2.gz	LBSCKXDYZKHMGB-WGDIFIGCSA-N	0	0	444.918	6.048	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1ccc(OC(F)(F)F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000004081153	555958872	/nfs/dbraw/zinc/95/88/72/555958872.db2.gz	WWIXZOWECVWWJU-QFIPXVFZSA-N	0	0	430.470	6.424	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000004082012	555958885	/nfs/dbraw/zinc/95/88/85/555958885.db2.gz	GUPPYNAVRNACFU-GKVSMKOHSA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1N2	ZINC000004082564	555958944	/nfs/dbraw/zinc/95/89/44/555958944.db2.gz	ZVNIIVXBILHVGW-CPJLOUKISA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2	ZINC000004082978	555959291	/nfs/dbraw/zinc/95/92/91/555959291.db2.gz	ODDZZRWZCIJQFO-NJHZRGNWSA-N	0	0	442.562	7.333	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(CC)cc1	ZINC000004115233	555963705	/nfs/dbraw/zinc/96/37/05/555963705.db2.gz	RTTVSPBXTUERDY-JOCHJYFZSA-N	0	0	427.610	5.149	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1	ZINC000004180918	555974264	/nfs/dbraw/zinc/97/42/64/555974264.db2.gz	UZCIMOZMIPOQJY-JOCHJYFZSA-N	0	0	439.353	5.612	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Br)c1	ZINC000004180917	555974278	/nfs/dbraw/zinc/97/42/78/555974278.db2.gz	UZCIMOZMIPOQJY-QFIPXVFZSA-N	0	0	439.353	5.612	50	30		IKEARN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1)C(F)(F)F	ZINC000004199804	555975679	/nfs/dbraw/zinc/97/56/79/555975679.db2.gz	WDXYBELJSVHFQV-YEJXKQKISA-N	0	0	442.393	5.336	50	30		IKEARN
S=C(N/N=C/c1cccc(OCc2cccc(Br)c2)c1)NC1CCCCC1	ZINC000004209599	555976362	/nfs/dbraw/zinc/97/63/62/555976362.db2.gz	HXZRKLBIKUDOFD-OEAKJJBVSA-N	0	0	446.414	5.159	50	30		IKEARN
S=C(N/N=C/c1cc(OCc2ccccc2)ccc1Br)NC1CCCCC1	ZINC000004210611	555976370	/nfs/dbraw/zinc/97/63/70/555976370.db2.gz	LQJUAGNRPLPPQA-OEAKJJBVSA-N	0	0	446.414	5.159	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004349871	555988908	/nfs/dbraw/zinc/98/89/08/555988908.db2.gz	BCHULALFBLLPAM-VWLOTQADSA-N	0	0	428.576	5.800	50	30		IKEARN
COc1cc(/C=C2/S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1	ZINC000004471304	555995733	/nfs/dbraw/zinc/99/57/33/555995733.db2.gz	XAJZRDVQUQZTAJ-HZHRSRAPSA-N	0	0	430.529	5.474	50	30		IKEARN
COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccccc2)c(Cl)c1	ZINC000004546930	556000464	/nfs/dbraw/zinc/00/04/64/556000464.db2.gz	RZWAHTGGSSNXIY-FTJBHMTQSA-N	0	0	439.942	7.166	50	30		IKEARN
COc1ccc([C@@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1	ZINC000004546626	556000548	/nfs/dbraw/zinc/00/05/48/556000548.db2.gz	BDJDWCPJUGITMR-SXOMAYOGSA-N	0	0	439.942	7.166	50	30		IKEARN
CCOC(=O)N1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1	ZINC000004547547	556000557	/nfs/dbraw/zinc/00/05/57/556000557.db2.gz	KCXADVDUJSRDAW-RPCRKUJJSA-N	0	0	447.534	6.501	50	30		IKEARN
CCOc1ccc(/C(CCCCCCC/C(=N/O)c2ccc(OCC)cc2)=N\O)cc1	ZINC000004577884	556002687	/nfs/dbraw/zinc/00/26/87/556002687.db2.gz	FOUGSWFUINRTOL-DSOYXUETSA-N	0	0	426.557	6.272	50	30		IKEARN
CCN(CC)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccco2)cc1	ZINC000005092549	556032020	/nfs/dbraw/zinc/03/20/20/556032020.db2.gz	KNSLAUYCFAAQEL-XHCCPWGMSA-N	0	0	427.548	6.105	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1	ZINC000005091641	556032087	/nfs/dbraw/zinc/03/20/87/556032087.db2.gz	QGINGTOFZBVZKJ-RUZDIDTESA-N	0	0	431.580	5.552	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C	ZINC000006077000	556074832	/nfs/dbraw/zinc/07/48/32/556074832.db2.gz	LALRTYWBIYNSER-MUUNZHRXSA-N	0	0	441.571	6.945	50	30		IKEARN
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)ccc1OC	ZINC000006089739	556076221	/nfs/dbraw/zinc/07/62/21/556076221.db2.gz	UYDAAXFSHMLTJY-QUGAMOGWSA-N	0	0	446.572	6.135	50	30		IKEARN
Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1cc(C)cc(C)c1	ZINC000006194042	556080021	/nfs/dbraw/zinc/08/00/21/556080021.db2.gz	FMFVVFBZIDXXLZ-YDZHTSKRSA-N	0	0	428.317	6.066	50	30		IKEARN
COC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCc3ccccc3)cc2)C1=O	ZINC000006394510	556086650	/nfs/dbraw/zinc/08/66/50/556086650.db2.gz	OLJRMDRLLOHXIE-JWGURIENSA-N	0	0	443.524	5.419	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)[C@H]3c2ccco2)cc1	ZINC000006498940	556091780	/nfs/dbraw/zinc/09/17/80/556091780.db2.gz	VKWBHSAKGOIDEP-QYBDOPJKSA-N	0	0	428.488	5.209	50	30		IKEARN
O=C1[C@@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000002671063	556118258	/nfs/dbraw/zinc/11/82/58/556118258.db2.gz	PENRTCCVDAAWQS-IPQBESIJSA-N	0	0	427.356	6.372	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	ZINC000002671717	556118444	/nfs/dbraw/zinc/11/84/44/556118444.db2.gz	QUSNHTFPYFAUBN-STZFKDTASA-N	0	0	447.585	5.244	50	30		IKEARN
COc1ccc(NC(=O)c2ccccc2)cc1/N=C/c1ccc(C#Cc2ccccc2)cc1	ZINC000002839608	556146124	/nfs/dbraw/zinc/14/61/24/556146124.db2.gz	LSBPYXKCEDTPQA-MWAVMZGNSA-N	0	0	430.507	6.098	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)c2ccc(C)c(C)c2)nc2scc(-c3ccccc3)c2c1=O	ZINC000002889472	556147495	/nfs/dbraw/zinc/14/74/95/556147495.db2.gz	RYUSSUBNRWFJSI-UHFFFAOYSA-N	0	0	446.597	5.903	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cccc(OCCCOc3ccc(Cl)cc3)c2)SC1=S	ZINC000002848057	556147834	/nfs/dbraw/zinc/14/78/34/556147834.db2.gz	BNQCOUHNXZVGDO-HKWRFOASSA-N	0	0	445.993	5.575	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)SC1=S	ZINC000002847999	556147856	/nfs/dbraw/zinc/14/78/56/556147856.db2.gz	COVOOJUONFCUBA-WQRHYEAKSA-N	0	0	436.385	5.960	50	30		IKEARN
CCCCCCCCCCCCCCc1ccc(/N=N/c2ccc(N)c3ccccc23)cc1	ZINC000008383667	556159444	/nfs/dbraw/zinc/15/94/44/556159444.db2.gz	JQZMFOKYTVTCEW-ULIFNZDWSA-N	0	0	443.679	10.081	50	30		IKEARN
Brc1cccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1	ZINC000008384857	556160609	/nfs/dbraw/zinc/16/06/09/556160609.db2.gz	BKGCJBMQNKPMLM-BUVRLJJBSA-N	0	0	430.309	5.414	50	30		IKEARN
Cc1ccc(C)c([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1	ZINC000008384603	556160619	/nfs/dbraw/zinc/16/06/19/556160619.db2.gz	OQZASONRRBHPCD-KWXIBIRDSA-N	0	0	429.523	5.588	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)S/C1=N\c1cccc2ccccc21	ZINC000008385144	556161254	/nfs/dbraw/zinc/16/12/54/556161254.db2.gz	SIDJDATZBYQNHC-YMVPSHTBSA-N	0	0	431.561	5.437	50	30		IKEARN
CCCCCCCCCCCc1nc(C2CCC(C3CCC(CCC)CC3)CC2)no1	ZINC000008386761	556162188	/nfs/dbraw/zinc/16/21/88/556162188.db2.gz	RIXQJSGEDVFAPF-UHFFFAOYSA-N	0	0	430.721	9.023	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C/c2cccc(Cl)c2Cl)c1=O	ZINC000008398035	556164578	/nfs/dbraw/zinc/16/45/78/556164578.db2.gz	VIYIJBDAHBFZCU-RMKNXTFCSA-N	0	0	427.125	5.444	50	30		IKEARN
COc1ccccc1/C=C/C(=O)c1ccc2c3c1cccc3C(=O)N(c1ccccc1)C2=O	ZINC000008398123	556164769	/nfs/dbraw/zinc/16/47/69/556164769.db2.gz	DGBLIWLOEONNDJ-SAPNQHFASA-N	0	0	433.463	5.545	50	30		IKEARN
Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl	ZINC000008398493	556164770	/nfs/dbraw/zinc/16/47/70/556164770.db2.gz	KDEOOYRWKMDXQY-ZVHZXABRSA-N	0	0	442.354	5.358	50	30		IKEARN
COc1ccc(/N=C(/N2CCCCC2)[P@@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1	ZINC000008399051	556165119	/nfs/dbraw/zinc/16/51/19/556165119.db2.gz	CVZBIJNKNBIRMM-RFVFIGINSA-N	0	0	448.592	5.966	50	30		IKEARN
COc1ccc(/C=N/N=C2\SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1	ZINC000008399225	556165307	/nfs/dbraw/zinc/16/53/07/556165307.db2.gz	NFRLCTNVQZPKGY-HTGQBARJSA-N	0	0	449.624	6.033	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1C(=O)/C=C/c1ccc(NC(=O)c2ccc(C)cc2)cc1	ZINC000008399521	556165334	/nfs/dbraw/zinc/16/53/34/556165334.db2.gz	GCFVKOAPCXXDLM-KPKJPENVSA-N	0	0	440.326	6.459	50	30		IKEARN
Clc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1	ZINC000003044451	556166744	/nfs/dbraw/zinc/16/67/44/556166744.db2.gz	UIIULSYEYPJGOT-STBIYBPSSA-N	0	0	438.914	7.478	50	30		IKEARN
CCCCCCCCCCCc1nnc(NC(=O)c2cccc(Br)c2)s1	ZINC000008407134	556166761	/nfs/dbraw/zinc/16/67/61/556166761.db2.gz	RXJPIDNNBARJLU-UHFFFAOYSA-N	0	0	438.435	6.626	50	30		IKEARN
CCCCCCCCCCCCNc1nc(CC(C)C)nc2cc(OC)c(OC)cc21	ZINC000008416998	556167702	/nfs/dbraw/zinc/16/77/02/556167702.db2.gz	DYNQIWMPBCNRPQ-UHFFFAOYSA-N	0	0	429.649	7.178	50	30		IKEARN
CCCCCCCCCCCCn1c(SCCCCC)nc2c1c(=O)[nH]c(=O)n2C	ZINC000008425690	556168286	/nfs/dbraw/zinc/16/82/86/556168286.db2.gz	ZBQXCSRSUCMDQH-UHFFFAOYSA-N	0	0	436.666	5.627	50	30		IKEARN
O=C(/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1	ZINC000008425324	556168313	/nfs/dbraw/zinc/16/83/13/556168313.db2.gz	PPDRQVRXHGAUNP-LFIBNONCSA-N	0	0	439.216	6.651	50	30		IKEARN
Clc1ccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c(Cl)c1	ZINC000008427524	556169943	/nfs/dbraw/zinc/16/99/43/556169943.db2.gz	RSYYKYVSEDRBCR-OPEKNORGSA-N	0	0	435.141	7.366	50	30		IKEARN
CCCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000008430432	556170315	/nfs/dbraw/zinc/17/03/15/556170315.db2.gz	OMNIURFCWDFEAJ-QYBDOPJKSA-N	0	0	430.573	6.516	50	30		IKEARN
CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000008430438	556170475	/nfs/dbraw/zinc/17/04/75/556170475.db2.gz	OMNIURFCWDFEAJ-WXTAPIANSA-N	0	0	430.573	6.516	50	30		IKEARN
CN(C)c1ccc(/C=N/Nc2nc3sc4c(c3c(=O)n2C2CCCCC2)CCCC4)cc1	ZINC000008431515	556171063	/nfs/dbraw/zinc/17/10/63/556171063.db2.gz	IGNIFCVXTVNJLV-WGOQTCKBSA-N	0	0	449.624	5.354	50	30		IKEARN
CCCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1	ZINC000008431734	556171447	/nfs/dbraw/zinc/17/14/47/556171447.db2.gz	IZGYIPCECYBTOM-AREMUKBSSA-N	0	0	432.564	6.028	50	30		IKEARN
CCCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)cc1	ZINC000008432106	556171548	/nfs/dbraw/zinc/17/15/48/556171548.db2.gz	AJHDJVAAGJGEJD-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
CCCCCCCCCCCCSc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000008432930	556172493	/nfs/dbraw/zinc/17/24/93/556172493.db2.gz	PZKXDISQWWDGIK-UHFFFAOYSA-N	0	0	449.661	5.995	50	30		IKEARN
COc1ccc(/C=N/c2ccc(-c3cc(-c4ccccc4)c4cc(Cl)ccc4n3)cc2)cc1	ZINC000008435128	556173062	/nfs/dbraw/zinc/17/30/62/556173062.db2.gz	IAVIUQBSFAIHJI-ZCTHSVRISA-N	0	0	448.953	7.981	50	30		IKEARN
CCCCOc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2)cc1	ZINC000008435064	556173101	/nfs/dbraw/zinc/17/31/01/556173101.db2.gz	VFLYQKHOKFQGFC-TURZUDJPSA-N	0	0	438.531	6.141	50	30		IKEARN
N#C[C@@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F	ZINC000008436871	556173343	/nfs/dbraw/zinc/17/33/43/556173343.db2.gz	YAKPJLAZXNJRPL-VIFPVBQESA-N	0	0	432.602	5.165	50	30		IKEARN
O=C(C=Cc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)[C@H]1c1ccccc1Cl	ZINC000008438693	556174835	/nfs/dbraw/zinc/17/48/35/556174835.db2.gz	AYRZFHJNKMIXRS-QDEBQFNMSA-N	0	0	429.903	5.518	50	30		IKEARN
CCCCc1ccc(N=C2C=C(Nc3ccc(CCCC)cc3)C(=O)c3ccccc32)cc1	ZINC000008439345	556175410	/nfs/dbraw/zinc/17/54/10/556175410.db2.gz	XFHRUCDNXCSWNQ-PNOGMODKSA-N	0	0	436.599	7.685	50	30		IKEARN
CCCCCCCCCCCCCCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2	ZINC000008439671	556175823	/nfs/dbraw/zinc/17/58/23/556175823.db2.gz	RQAWSOYWLYUMKE-UHFFFAOYSA-N	0	0	441.681	7.237	50	30		IKEARN
CCCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000008440801	556176534	/nfs/dbraw/zinc/17/65/34/556176534.db2.gz	CYYVWSFVWZGQGP-NRFANRHFSA-N	0	0	437.517	5.299	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC	ZINC000008441977	556177122	/nfs/dbraw/zinc/17/71/22/556177122.db2.gz	TVHUKQMPMAEWIL-ACCUITESSA-N	0	0	432.907	5.651	50	30		IKEARN
Cc1cccc(Nc2nc(N=NCc3ccc(F)cc3)nc(N3CCC(C)CC3)n2)c1C	ZINC000008442991	556177991	/nfs/dbraw/zinc/17/79/91/556177991.db2.gz	QYJBGIAESQEYCL-CVKSISIWSA-N	0	0	433.535	5.053	50	30		IKEARN
CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)c1	ZINC000008443849	556178344	/nfs/dbraw/zinc/17/83/44/556178344.db2.gz	ZQSRUMGIKOTNIK-AREMUKBSSA-N	0	0	432.564	6.028	50	30		IKEARN
COc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC	ZINC000008444015	556178687	/nfs/dbraw/zinc/17/86/87/556178687.db2.gz	SIGQVFHJILUFKR-BGPOSVGRSA-N	0	0	449.330	5.858	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000008448578	556180745	/nfs/dbraw/zinc/18/07/45/556180745.db2.gz	YXTPEHBSPSFMKJ-ZLNRFVROSA-N	0	0	425.488	5.171	50	30		IKEARN
C/N=C1/S/C(=C\c2cn(CCOc3cc(C)ccc3C(C)C)c3ccccc23)C(=O)N1C	ZINC000008450476	556181242	/nfs/dbraw/zinc/18/12/42/556181242.db2.gz	BFYQUYGGYFENII-VIADFIPNSA-N	0	0	447.604	5.684	50	30		IKEARN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)N(C)C2=O)o1	ZINC000008452577	556183077	/nfs/dbraw/zinc/18/30/77/556183077.db2.gz	OXUQISYJXBUFNT-DYEBMTOPSA-N	0	0	435.461	5.097	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(C3=N/C(=C\c4ccco4)C(=O)O3)cc2)cc1	ZINC000008453806	556184633	/nfs/dbraw/zinc/18/46/33/556184633.db2.gz	MLVAAFTVDLTTCG-QOMWVZHYSA-N	0	0	427.544	7.194	50	30		IKEARN
Cc1c(/C=C2/S/C(=N\c3ccc(Br)cc3C)NC2=O)c2ccccc2n1C	ZINC000008454168	556184972	/nfs/dbraw/zinc/18/49/72/556184972.db2.gz	DBVAMRSOMAHRCU-YBFXNURJSA-N	0	0	440.366	5.449	50	30		IKEARN
O=C1/C(=C\c2cccc(Cl)c2Cl)S/C(=N/c2ccccc2)N1c1ccccc1	ZINC000008456347	556185888	/nfs/dbraw/zinc/18/58/88/556185888.db2.gz	UKBNRNSJEYFUED-RTTTWQGVSA-N	0	0	425.340	6.802	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\C=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C	ZINC000008456770	556186202	/nfs/dbraw/zinc/18/62/02/556186202.db2.gz	RHQRPBLOUIICFI-LFELVLOKSA-N	0	0	445.500	6.169	50	30		IKEARN
COc1ccc(/C=C/C(=O)C23CC4CC(CC(C4)C2)C3)cc1Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000008456687	556186220	/nfs/dbraw/zinc/18/62/20/556186220.db2.gz	QNPMMGIKKSPCBU-FNORWQNLSA-N	0	0	449.551	5.264	50	30		IKEARN
C=C1S/C(=N\c2ccccc2Cl)N(C(=O)c2cc(OC)c(OC)c(OC)c2)C1(C)C	ZINC000008617985	556192953	/nfs/dbraw/zinc/19/29/53/556192953.db2.gz	BGECDPQPDUUSHA-FLFQWRMESA-N	0	0	446.956	5.535	50	30		IKEARN
COC(=O)c1sc(SC)c2c1CC(C)(C)C/C2=N\OC(=O)c1ccc(Cl)cc1	ZINC000008637218	556195382	/nfs/dbraw/zinc/19/53/82/556195382.db2.gz	CYFCOWCNPQRJMW-HYARGMPZSA-N	0	0	437.970	5.444	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)ccc1Cl	ZINC000008715758	556202046	/nfs/dbraw/zinc/20/20/46/556202046.db2.gz	FEBHIZUUQWYEBB-XMMPIXPASA-N	0	0	445.946	6.555	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000008741464	556206919	/nfs/dbraw/zinc/20/69/19/556206919.db2.gz	VXPYLFGBYLCGDV-OAQYLSRUSA-N	0	0	432.545	5.219	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1	ZINC000008743730	556208170	/nfs/dbraw/zinc/20/81/70/556208170.db2.gz	LDHOXZFJHVNDOU-HXUWFJFHSA-N	0	0	446.553	5.703	50	30		IKEARN
Cc1cccc(Nc2nc3no[nH]c-3nc2=NN=Cc2cccc(Cl)c2Cl)c1C	ZINC000008809784	556216667	/nfs/dbraw/zinc/21/66/67/556216667.db2.gz	COMNVLNYTAEYJU-LSFURLLWSA-N	0	0	428.283	5.126	50	30		IKEARN
Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@H]2c2cccc3ccccc32)s1	ZINC000008829005	556224809	/nfs/dbraw/zinc/22/48/09/556224809.db2.gz	XFVDJYLPGSKDJT-NRFANRHFSA-N	0	0	444.589	6.180	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1	ZINC000008856902	556227715	/nfs/dbraw/zinc/22/77/15/556227715.db2.gz	RJURTOCYQLFIPM-GYCJOSAFSA-N	0	0	437.561	5.497	50	30		IKEARN
O=S(=O)(c1ccc(/N=C/c2c3ccccc3cc3ccccc32)cc1)N1CCCCCC1	ZINC000008873719	556230238	/nfs/dbraw/zinc/23/02/38/556230238.db2.gz	GEEZGDJNVNWPOH-VFCFBJKWSA-N	0	0	442.584	6.308	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000008913920	556231629	/nfs/dbraw/zinc/23/16/29/556231629.db2.gz	PXAXTOAIXMWOIW-LJQANCHMSA-N	0	0	438.936	5.703	50	30		IKEARN
COc1cccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1	ZINC000008913998	556232182	/nfs/dbraw/zinc/23/21/82/556232182.db2.gz	FVWWBSVRCAEWET-PIKZIKFNSA-N	0	0	438.527	5.616	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000008973178	556237651	/nfs/dbraw/zinc/23/76/51/556237651.db2.gz	LGCLOXHLFLSDOV-KOSHJBKYSA-N	0	0	437.926	6.035	50	30		IKEARN
CCOc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(OC)cc1	ZINC000008974623	556237973	/nfs/dbraw/zinc/23/79/73/556237973.db2.gz	RKAPRONBLMDNBI-VKGTZQKMSA-N	0	0	440.543	6.073	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2cccc(Br)c2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000009007666	556239960	/nfs/dbraw/zinc/23/99/60/556239960.db2.gz	PCRKUKVZFKDURX-HXUWFJFHSA-N	0	0	434.289	5.232	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1OC	ZINC000009007926	556240197	/nfs/dbraw/zinc/24/01/97/556240197.db2.gz	CFXRUWIAACZKTI-RUZDIDTESA-N	0	0	434.536	5.257	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000009008063	556240288	/nfs/dbraw/zinc/24/02/88/556240288.db2.gz	HPKWGWGFCANSHR-RUZDIDTESA-N	0	0	447.535	5.784	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1OC	ZINC000009007925	556240292	/nfs/dbraw/zinc/24/02/92/556240292.db2.gz	CFXRUWIAACZKTI-VWLOTQADSA-N	0	0	434.536	5.257	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009019285	556241313	/nfs/dbraw/zinc/24/13/13/556241313.db2.gz	JGSXFYJLSDWPHZ-OMHSXHNCSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000009042852	556242352	/nfs/dbraw/zinc/24/23/52/556242352.db2.gz	BVALXJPFVYPUFN-QFIPXVFZSA-N	0	0	446.572	5.975	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000009046140	556242788	/nfs/dbraw/zinc/24/27/88/556242788.db2.gz	MZMZUYCKJBITOA-VWLOTQADSA-N	0	0	436.983	6.673	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1	ZINC000009067900	556244923	/nfs/dbraw/zinc/24/49/23/556244923.db2.gz	CCIVEXPTYGLIBW-SANMLTNESA-N	0	0	432.564	6.116	50	30	biogenic	IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(Cl)cc2)cc1OC	ZINC000009089009	556245773	/nfs/dbraw/zinc/24/57/73/556245773.db2.gz	PTGBUASYOOSAHH-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccc(OC)cc1	ZINC000009108588	556247073	/nfs/dbraw/zinc/24/70/73/556247073.db2.gz	IVLPLGXVTUYFOW-ZTOMLWHTSA-N	0	0	438.571	6.479	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(Oc2ccccc2)c1	ZINC000009123184	556248186	/nfs/dbraw/zinc/24/81/86/556248186.db2.gz	YSXMGWOQEKTMTN-DEOSSOPVSA-N	0	0	443.499	5.094	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000009261275	556268976	/nfs/dbraw/zinc/26/89/76/556268976.db2.gz	PKOYJLPSDKGFEU-UDWIEESQSA-N	0	0	425.916	5.778	50	30		IKEARN
C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCOC)C1=O	ZINC000009261551	556269191	/nfs/dbraw/zinc/26/91/91/556269191.db2.gz	GLMWMVMHVCLXCJ-KWPJTZOTSA-N	0	0	442.540	5.102	50	30		IKEARN
Cc1cccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1	ZINC000009261512	556269233	/nfs/dbraw/zinc/26/92/33/556269233.db2.gz	CBSRRWYSANEKAR-LDADJPATSA-N	0	0	426.950	6.284	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccccc1	ZINC000009264174	556270076	/nfs/dbraw/zinc/27/00/76/556270076.db2.gz	JPBLRQVNZTYZAI-RUZDIDTESA-N	0	0	443.934	6.552	50	30		IKEARN
COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000009264182	556270113	/nfs/dbraw/zinc/27/01/13/556270113.db2.gz	GXZVAFZNBOLXDS-MHZLTWQESA-N	0	0	438.527	5.824	50	30		IKEARN
O=C(c1ccc(Cl)cc1)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccccc1	ZINC000009264159	556270161	/nfs/dbraw/zinc/27/01/61/556270161.db2.gz	ODPHRYGXPPCFJO-VWLOTQADSA-N	0	0	428.919	6.161	50	30		IKEARN
CCCNC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)C2[C@H]1c1ccccc1	ZINC000009264281	556270344	/nfs/dbraw/zinc/27/03/44/556270344.db2.gz	IXTIJJBSFVIQTD-NIYFSFCBSA-N	0	0	441.531	5.773	50	30		IKEARN
COc1ccccc1[C@H]1C2C(=O)C[C@H](c3ccco3)CC2=Nc2ccccc2N1C(C)=O	ZINC000009264312	556270363	/nfs/dbraw/zinc/27/03/63/556270363.db2.gz	GHIOUXPTYCHIBO-QUGAMOGWSA-N	0	0	428.488	5.209	50	30		IKEARN
O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000009264373	556270391	/nfs/dbraw/zinc/27/03/91/556270391.db2.gz	IZHRCDYDYOIOKV-IVCQMTBJSA-N	0	0	440.455	5.680	50	30		IKEARN
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)c1ccc(C)cc1	ZINC000009264183	556270453	/nfs/dbraw/zinc/27/04/53/556270453.db2.gz	GXZVAFZNBOLXDS-HHHXNRCGSA-N	0	0	438.527	5.824	50	30		IKEARN
O=C1c2ccccc2C2=C1C(c1cc3c(cc1[N+](=O)[O-])OCO3)Sc1ccccc1N2	ZINC000009291133	556273926	/nfs/dbraw/zinc/27/39/26/556273926.db2.gz	ZCHQGVZQXKGEJO-QHCPKHFHSA-N	0	0	430.441	5.190	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000009331518	556282736	/nfs/dbraw/zinc/28/27/36/556282736.db2.gz	NVADBJPISFMYEC-HXUWFJFHSA-N	0	0	434.835	5.031	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1	ZINC000009331651	556283177	/nfs/dbraw/zinc/28/31/77/556283177.db2.gz	QWNPCODHPVHDLX-ZMOGYAJESA-N	0	0	425.344	6.090	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000009363624	556285695	/nfs/dbraw/zinc/28/56/95/556285695.db2.gz	SVVJYRCQROMLLJ-HXUWFJFHSA-N	0	0	434.289	5.232	50	30		IKEARN
CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccc2)cc1	ZINC000009374793	556286795	/nfs/dbraw/zinc/28/67/95/556286795.db2.gz	PYQIFMUZXFIOCF-XMMPIXPASA-N	0	0	442.515	5.039	50	30		IKEARN
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(C(C)(C)C)cc1	ZINC000009375076	556286798	/nfs/dbraw/zinc/28/67/98/556286798.db2.gz	DPXYSGGAJFIYSL-OAQYLSRUSA-N	0	0	441.955	5.252	50	30		IKEARN
CCCN1c2ccccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1	ZINC000009459741	556293212	/nfs/dbraw/zinc/29/32/12/556293212.db2.gz	IVLPLGXVTUYFOW-KPURRNSFSA-N	0	0	438.571	6.479	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCCC1)[C@@H]2c1ccco1	ZINC000009504740	556295911	/nfs/dbraw/zinc/29/59/11/556295911.db2.gz	NMTCAHBUBMEBCI-AREMUKBSSA-N	0	0	447.579	5.345	50	30		IKEARN
O=C1C[C@@H](c2ccc(Cl)cc2)CC2=Nc3nc4ccccc4n3[C@H](c3cccs3)C12	ZINC000009546495	556297360	/nfs/dbraw/zinc/29/73/60/556297360.db2.gz	BZZXKWMOGQKOBW-NPMXOYFQSA-N	0	0	431.948	6.167	50	30		IKEARN
O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3ccccc3F)C12	ZINC000009546527	556297381	/nfs/dbraw/zinc/29/73/81/556297381.db2.gz	ASXJGZULURUIJB-IVCQMTBJSA-N	0	0	443.909	6.245	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccc(Cl)c3)C12	ZINC000009546524	556297399	/nfs/dbraw/zinc/29/73/99/556297399.db2.gz	LDLXGEDURBQYLF-WNSKOXEYSA-N	0	0	431.948	6.167	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N([C@H]1OC(=O)c3ccccc31)[C@@H]2c1ccco1	ZINC000009556393	556298058	/nfs/dbraw/zinc/29/80/58/556298058.db2.gz	PKBRESAPLDCYQM-RPBOFIJWSA-N	0	0	440.499	5.765	50	30		IKEARN
O=c1oc2ccc(Br)cc2cc1-c1csc(N=NCc2ccccc2)n1	ZINC000013739373	556298135	/nfs/dbraw/zinc/29/81/35/556298135.db2.gz	OZJRFEAUNYUULH-UFFVCSGVSA-N	0	0	426.295	5.125	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000009559912	556298893	/nfs/dbraw/zinc/29/88/93/556298893.db2.gz	HRGKDTWDANVPNH-LSDHHAIUSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)c(Cl)c2)cc1OC	ZINC000009559910	556298932	/nfs/dbraw/zinc/29/89/32/556298932.db2.gz	HRGKDTWDANVPNH-GJZGRUSLSA-N	0	0	446.330	5.015	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cccc(Cl)c2Cl)cc1OC	ZINC000009560021	556299170	/nfs/dbraw/zinc/29/91/70/556299170.db2.gz	XNQSIZHVUSNFFG-HIFRSBDPSA-N	0	0	446.330	5.015	50	30		IKEARN
O=C1C[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560029	556299213	/nfs/dbraw/zinc/29/92/13/556299213.db2.gz	ZUWADTXKBCRFAB-CJNGLKHVSA-N	0	0	430.729	5.107	50	30		IKEARN
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560065	556299508	/nfs/dbraw/zinc/29/95/08/556299508.db2.gz	LWURXLAWGAYRRJ-GCJKJVERSA-N	0	0	443.930	6.137	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000009680429	556306143	/nfs/dbraw/zinc/30/61/43/556306143.db2.gz	DVWBBQPDRSRDCA-QHCPKHFHSA-N	0	0	429.347	6.300	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1	ZINC000009762894	556308598	/nfs/dbraw/zinc/30/85/98/556308598.db2.gz	DUNRWRKRPPMHOD-HSZRJFAPSA-N	0	0	439.353	5.756	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1cccc(Br)c1	ZINC000009762893	556308673	/nfs/dbraw/zinc/30/86/73/556308673.db2.gz	DUNRWRKRPPMHOD-QHCPKHFHSA-N	0	0	439.353	5.756	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC(C)C)cc1	ZINC000009805262	556308963	/nfs/dbraw/zinc/30/89/63/556308963.db2.gz	DLMCFGIKAGDIIT-PBBNMVCDSA-N	0	0	438.571	6.762	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCc1ccccc1	ZINC000009805458	556309335	/nfs/dbraw/zinc/30/93/35/556309335.db2.gz	VDJBKAVGXYKTKC-VULFUBBASA-N	0	0	433.508	5.983	50	30		IKEARN
CN(C)c1ccc([C@@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009861330	556314663	/nfs/dbraw/zinc/31/46/63/556314663.db2.gz	DVWAKHSJMLPFLW-HHHXNRCGSA-N	0	0	437.543	5.573	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2Cl)nc1	ZINC000009861130	556314680	/nfs/dbraw/zinc/31/46/80/556314680.db2.gz	UDMMNQOSUANUMY-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1Cl	ZINC000009925840	556316654	/nfs/dbraw/zinc/31/66/54/556316654.db2.gz	NQRMWFSMERYDMX-AFUMVMLFSA-N	0	0	433.920	6.129	50	30		IKEARN
COc1ccc(CC(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1	ZINC000009971383	556319548	/nfs/dbraw/zinc/31/95/48/556319548.db2.gz	XDXOHXLWLKACDI-NRFANRHFSA-N	0	0	439.342	6.147	50	30		IKEARN
CC1(C)CC(=O)C([C@@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1	ZINC000009975019	556319785	/nfs/dbraw/zinc/31/97/85/556319785.db2.gz	ORJOZNAROYTULK-SFHVURJKSA-N	0	0	435.347	6.314	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc(OC)c1OC	ZINC000009972235	556319850	/nfs/dbraw/zinc/31/98/50/556319850.db2.gz	VOONULXUNBRPOD-SGANQWHYSA-N	0	0	446.503	5.285	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)Nc3cccc(F)c3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013762	556322364	/nfs/dbraw/zinc/32/23/64/556322364.db2.gz	ZYXZJJXBBBQEEO-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013729	556322381	/nfs/dbraw/zinc/32/23/81/556322381.db2.gz	IKGZULVYGBZODF-DEOSSOPVSA-N	0	0	447.554	5.134	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3/C=C/c3ccccc3)C2)cc1	ZINC000010035374	556322987	/nfs/dbraw/zinc/32/29/87/556322987.db2.gz	LFSSYFWGTHSGLA-DWEGMBIRSA-N	0	0	447.538	6.126	50	30		IKEARN
C[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccc(Cl)cc1)[C@@H]2c1ccco1	ZINC000010035318	556323171	/nfs/dbraw/zinc/32/31/71/556323171.db2.gz	KDUKQIGZEHYLQG-IZHWHUGBSA-N	0	0	432.907	6.000	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cccc(Oc4ccccc4)c3)C12	ZINC000010059709	556324062	/nfs/dbraw/zinc/32/40/62/556324062.db2.gz	TZGRFSWZCQAQBE-NDEPHWFRSA-N	0	0	433.532	7.345	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000013881092	556325962	/nfs/dbraw/zinc/32/59/62/556325962.db2.gz	BPRGRPBFRSPLDW-UUYOSTAYSA-N	0	0	446.532	5.511	50	30		IKEARN
Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1	ZINC000013881563	556326326	/nfs/dbraw/zinc/32/63/26/556326326.db2.gz	WDDOOQVKKGTHIE-PDGQHHTCSA-N	0	0	432.530	5.507	50	30		IKEARN
Cc1cc(C)cc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1	ZINC000013881567	556326338	/nfs/dbraw/zinc/32/63/38/556326338.db2.gz	KZIINDMBOKQGRM-UNOMPAQXSA-N	0	0	446.557	5.816	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(Br)s1	ZINC000013893777	556327881	/nfs/dbraw/zinc/32/78/81/556327881.db2.gz	JFKLCDVPSGHJRM-QFIPXVFZSA-N	0	0	438.390	6.973	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OCc1ccccc1	ZINC000013894311	556328196	/nfs/dbraw/zinc/32/81/96/556328196.db2.gz	IDPKXTSIWGQAMZ-WGOQTCKBSA-N	0	0	429.545	6.152	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)ccc1OC(C)=O	ZINC000013914807	556332205	/nfs/dbraw/zinc/33/22/05/556332205.db2.gz	NUZZFSGDPCXNQZ-HYARGMPZSA-N	0	0	432.501	5.055	50	30		IKEARN
CCOc1ccc2c(c1)S/C(=C\N/N=C/c1ccc(OCc3ccccc3)cc1)N2C	ZINC000013939841	556337342	/nfs/dbraw/zinc/33/73/42/556337342.db2.gz	OAKMWEHGFGSNHW-WUDIEWAJSA-N	0	0	431.561	5.629	50	30		IKEARN
O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	ZINC000013943560	556341001	/nfs/dbraw/zinc/34/10/01/556341001.db2.gz	LWDUSPVLVHAFCZ-BOPFTXTBSA-N	0	0	436.493	5.338	50	30		IKEARN
CNc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccccc4Cl)nn32)cc1	ZINC000032816938	556393068	/nfs/dbraw/zinc/39/30/68/556393068.db2.gz	UZPHVHRVKJFAAY-OAQYLSRUSA-N	0	0	433.943	5.298	50	30		IKEARN
Cn1nc(C(F)(F)F)c(-c2cccc(C(F)(F)F)c2)c1NC(=O)Nc1ccc(F)cc1	ZINC000012340425	556403372	/nfs/dbraw/zinc/40/33/72/556403372.db2.gz	FIEPNTXWDAOXCG-UHFFFAOYSA-N	0	0	446.326	5.908	50	30		IKEARN
O=C(ONC=Nc1ncc(-c2ccc(Br)s2)s1)c1ccc(Cl)cc1	ZINC000012370120	556403689	/nfs/dbraw/zinc/40/36/89/556403689.db2.gz	AWAKSRMSKOEJQG-UHFFFAOYSA-N	0	0	442.747	5.500	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCc1cccs1	ZINC000032624514	556411441	/nfs/dbraw/zinc/41/14/41/556411441.db2.gz	KIEHKSGTPQOZGQ-UHFFFAOYSA-N	0	0	435.936	6.162	50	30		IKEARN
Cc1ccsc1[C@H]1c2c(C)nn(-c3cccc(Cl)c3)c2NC2=C1C(=O)CC(C)(C)C2	ZINC000014361055	556414757	/nfs/dbraw/zinc/41/47/57/556414757.db2.gz	CTAKUWBJEVMYHL-NRFANRHFSA-N	0	0	437.996	6.405	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)NC1CCCC1)[C@@H]2c1cccs1	ZINC000014606472	556429766	/nfs/dbraw/zinc/42/97/66/556429766.db2.gz	QOPUNIBTSAKGCW-RUZDIDTESA-N	0	0	449.620	5.423	50	30		IKEARN
COc1cccc(/C=C2/S/C(=N\c3cc(C)ccc3C)NC2=O)c1OCc1ccccc1	ZINC000027904228	556434824	/nfs/dbraw/zinc/43/48/24/556434824.db2.gz	AGSZEXNLOBCDSE-HZHRSRAPSA-N	0	0	444.556	5.783	50	30		IKEARN
CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2cccc(Cl)c2)NC1=O	ZINC000015015819	556485174	/nfs/dbraw/zinc/48/51/74/556485174.db2.gz	GIXPQIOBZPHESM-SXGWCWSVSA-N	0	0	437.746	5.393	50	30		IKEARN
CCCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1	ZINC000015016480	556485736	/nfs/dbraw/zinc/48/57/36/556485736.db2.gz	ZWLSZZMDIAAWDV-ATVHPVEESA-N	0	0	448.407	6.142	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(OC2CCCC2)c1	ZINC000015016386	556485808	/nfs/dbraw/zinc/48/58/08/556485808.db2.gz	YFKHYGLIMXDITI-UNOMPAQXSA-N	0	0	432.467	5.918	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1OC	ZINC000015018514	556487072	/nfs/dbraw/zinc/48/70/72/556487072.db2.gz	VXKPTNQQVWLWBT-CENQWQLUSA-N	0	0	446.528	5.521	50	30		IKEARN
CC(C)N1c2ccccc2/C(=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)C1=O	ZINC000015019367	556487724	/nfs/dbraw/zinc/48/77/24/556487724.db2.gz	JEYCGKAETNYKFZ-HPNDGRJYSA-N	0	0	447.560	5.026	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21	ZINC000013532463	556512622	/nfs/dbraw/zinc/51/26/22/556512622.db2.gz	PDVGYBUXCSPYFL-QLWRNEEHSA-N	0	0	443.930	5.303	50	30		IKEARN
O=C(Cn1cc(/C=C2/Sc3ccccc3C2=O)c2ccccc21)Nc1ccc(F)cc1	ZINC000015230451	556512967	/nfs/dbraw/zinc/51/29/67/556512967.db2.gz	NHFOAOTXEVMVEZ-YDZHTSKRSA-N	0	0	428.488	5.749	50	30		IKEARN
CCOc1cc(/C=C2\Cc3ccccc3C2=O)ccc1OCc1ccc(Br)cc1	ZINC000015231470	556513014	/nfs/dbraw/zinc/51/30/14/556513014.db2.gz	JOUAWDKRAPQDIH-DEDYPNTBSA-N	0	0	449.344	6.249	50	30		IKEARN
COCc1cc(C)nc2sc(C(=O)N(c3ccccc3)c3ccccc3)c(N=[N+]=[N-])c21	ZINC000015239991	556513280	/nfs/dbraw/zinc/51/32/80/556513280.db2.gz	FZSCFTQDYWPPFB-UHFFFAOYSA-N	0	0	429.505	6.671	50	30		IKEARN
COc1cccc(/N=C/c2ccc(OC(=O)/C=C/c3ccc(Br)cc3)cc2)c1	ZINC000003081522	556518551	/nfs/dbraw/zinc/51/85/51/556518551.db2.gz	ILOPUQYPAWQKGW-RMQWKZBYSA-N	0	0	436.305	5.827	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1ccc(Cl)cc1Cl	ZINC000003082722	556518681	/nfs/dbraw/zinc/51/86/81/556518681.db2.gz	WPBUGVVFDCKJKX-BHGWPJFGSA-N	0	0	449.677	6.525	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c(C)c1Cl	ZINC000003085039	556518952	/nfs/dbraw/zinc/51/89/52/556518952.db2.gz	HQVLTBGGPRFZOU-NSKAYECMSA-N	0	0	445.733	7.528	50	30		IKEARN
O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1ccc(Cl)cc1	ZINC000003089277	556519295	/nfs/dbraw/zinc/51/92/95/556519295.db2.gz	CYFFTDVXRPMTAM-UHFFFAOYSA-N	0	0	429.719	5.890	50	30		IKEARN
O=C(Oc1ccccc1/C=N/c1cccc2ccccc21)c1sc2ccccc2c1Cl	ZINC000003095192	556519673	/nfs/dbraw/zinc/51/96/73/556519673.db2.gz	WPTJANLCUFAVQJ-LQKURTRISA-N	0	0	441.939	7.678	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1Oc1ccccc1	ZINC000003095302	556519677	/nfs/dbraw/zinc/51/96/77/556519677.db2.gz	XOQBPIUIDJODPO-BRJLIKDPSA-N	0	0	436.227	6.716	50	30		IKEARN
Cc1ccc2oc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)nc2c1	ZINC000003087356	556519679	/nfs/dbraw/zinc/51/96/79/556519679.db2.gz	KWGMAMGXLJLIDC-BRJLIKDPSA-N	0	0	435.321	6.639	50	30		IKEARN
CN(/N=C\c1ccccc1)c1nc(-c2ccccc2)cc(-c2ccc(Br)cc2)n1	ZINC000032496239	556538054	/nfs/dbraw/zinc/53/80/54/556538054.db2.gz	OIXXOTGEBALDMB-ONUIUJJFSA-N	0	0	443.348	6.043	50	30		IKEARN
O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cccc(C#Cc2ccccn2)c1	ZINC000032905221	556547806	/nfs/dbraw/zinc/54/78/06/556547806.db2.gz	CSYZQTNJHSSNIL-UHFFFAOYSA-N	0	0	434.495	5.078	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000015836437	556555569	/nfs/dbraw/zinc/55/55/69/556555569.db2.gz	XDBFHSYJDSNEQP-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
O=C(C=CNc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1	ZINC000015836417	556555599	/nfs/dbraw/zinc/55/55/99/556555599.db2.gz	OXDWGZIBHOXAEB-SEYXRHQNSA-N	0	0	447.343	5.603	50	30		IKEARN
N#Cc1ccc(Cc2cnc(NC(=O)COC(c3ccccc3)c3ccccc3)s2)cc1	ZINC000032907003	556560267	/nfs/dbraw/zinc/56/02/67/556560267.db2.gz	QWQNYFXAMTYCHY-UHFFFAOYSA-N	0	0	439.540	5.350	50	30		IKEARN
O=C1c2cc(Cl)ccc2SC/C1=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1	ZINC000033365075	556563114	/nfs/dbraw/zinc/56/31/14/556563114.db2.gz	DQIAQQOZLPCXNR-JYRVWZFOSA-N	0	0	436.907	7.459	50	30		IKEARN
CC1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1	ZINC000015911967	556563168	/nfs/dbraw/zinc/56/31/68/556563168.db2.gz	LPROPTXJOKMABJ-HSZRJFAPSA-N	0	0	432.907	5.430	50	30		IKEARN
CCOc1ccc(-n2c(Sc3ncccc3C#N)nnc2-c2ccccc2Cl)cc1	ZINC000032907700	556563313	/nfs/dbraw/zinc/56/33/13/556563313.db2.gz	QOMCYXRCAPANGB-UHFFFAOYSA-N	0	0	433.924	5.404	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C	ZINC000015930050	556565058	/nfs/dbraw/zinc/56/50/58/556565058.db2.gz	GLNJMEZRLIUPJR-QUSCMMCHSA-N	0	0	432.501	5.229	50	30		IKEARN
Cc1ccc(NC(=NNc2ccc([N+](=O)[O-])cc2)P(=O)(OC(C)C)OC(C)C)cc1	ZINC000015937638	556566306	/nfs/dbraw/zinc/56/63/06/556566306.db2.gz	LJEBYCSLFNZBGO-UHFFFAOYSA-N	0	0	434.433	5.551	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C(C)=O)cc1	ZINC000015945273	556566636	/nfs/dbraw/zinc/56/66/36/556566636.db2.gz	LLRYHZAZHYKABI-ZMPCKTLKSA-N	0	0	437.590	5.663	50	30		IKEARN
O=[N+]([O-])c1ccc(COc2cccc(CN=Nc3c(F)c(F)c(F)c(F)c3F)c2)cc1	ZINC000015945076	556566659	/nfs/dbraw/zinc/56/66/59/556566659.db2.gz	BTSCXLVQNOJKAZ-JQAMDZJQSA-N	0	0	437.324	5.315	50	30		IKEARN
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccc(Cl)c2)CCC3)cc1OC	ZINC000015945641	556566876	/nfs/dbraw/zinc/56/68/76/556566876.db2.gz	PLJVIQLKUKORMK-DHRITJCHSA-N	0	0	440.952	5.910	50	30		IKEARN
COC(=O)c1ccc(NC(=O)c2c(/N=C/c3cccc(OC)c3)sc3c2CCCC3)cc1	ZINC000015945836	556567110	/nfs/dbraw/zinc/56/71/10/556567110.db2.gz	BBKFIXLRMXOYLI-CVKSISIWSA-N	0	0	448.544	5.425	50	30		IKEARN
COc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(F)cc2)CCCC3)c(OC)c1	ZINC000015946403	556567321	/nfs/dbraw/zinc/56/73/21/556567321.db2.gz	KZHDBPLBMFTQDT-VULFUBBASA-N	0	0	438.524	5.786	50	30		IKEARN
O=C(Nc1cccc2ccccc21)c1c(/N=C/c2ccc(F)cc2)sc2c1CCCC2	ZINC000015946419	556567373	/nfs/dbraw/zinc/56/73/73/556567373.db2.gz	KCAQPYHZYTULAT-LQKURTRISA-N	0	0	428.532	6.922	50	30		IKEARN
Cc1ccccc1NC(=O)c1c(/N=C/c2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2	ZINC000015946469	556567393	/nfs/dbraw/zinc/56/73/93/556567393.db2.gz	ZJIQKEVCHBYUGA-ZNUIVASASA-N	0	0	448.607	7.350	50	30		IKEARN
N#C[C@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1	ZINC000015981205	556570870	/nfs/dbraw/zinc/57/08/70/556570870.db2.gz	VYDHBACIMLOFSS-SANMLTNESA-N	0	0	429.350	7.159	50	30		IKEARN
Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2/C=N/c2ccc(N(C)C)cc2)cc1	ZINC000015986516	556571226	/nfs/dbraw/zinc/57/12/26/556571226.db2.gz	IAVGIVYSGXFYDR-WPWMEQJKSA-N	0	0	425.488	5.686	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N32)c(C)c1	ZINC000016034309	556577354	/nfs/dbraw/zinc/57/73/54/556577354.db2.gz	HJULPICYDRMERV-NXCFDTQHSA-N	0	0	448.501	5.122	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ncccc4N32)c(C)c1	ZINC000016034311	556577389	/nfs/dbraw/zinc/57/73/89/556577389.db2.gz	HJULPICYDRMERV-GSDHBNRESA-N	0	0	448.501	5.122	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)c(C)c1	ZINC000016034359	556577417	/nfs/dbraw/zinc/57/74/17/556577417.db2.gz	WKOKHHOWWHAYEC-SDHOMARFSA-N	0	0	435.552	5.649	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccc(Cl)cc2)[C@H]1c1ccncc1	ZINC000016034236	556577420	/nfs/dbraw/zinc/57/74/20/556577420.db2.gz	OXCIYJZVMDHYKH-RBZQAINGSA-N	0	0	436.902	5.019	50	30		IKEARN
C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	ZINC000034688512	556580923	/nfs/dbraw/zinc/58/09/23/556580923.db2.gz	AWIUKRRXXLKOBR-OTZYPNAKSA-N	0	0	448.910	5.015	50	30		IKEARN
O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21	ZINC000016156395	556585787	/nfs/dbraw/zinc/58/57/87/556585787.db2.gz	FQTBATMWPPXGOH-UUIZBEJXSA-N	0	0	433.507	5.247	50	30		IKEARN
CCc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1	ZINC000016161392	556586296	/nfs/dbraw/zinc/58/62/96/556586296.db2.gz	CGZXFUMXAHIPDM-NDENLUEZSA-N	0	0	443.355	6.707	50	30		IKEARN
CN1C(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)S/C1=N/c1cccc2ccccc21	ZINC000016189438	556588481	/nfs/dbraw/zinc/58/84/81/556588481.db2.gz	BQLAPSVLVYMZJW-ZKZPFDSASA-N	0	0	439.540	5.583	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2)c1C	ZINC000032971617	556589260	/nfs/dbraw/zinc/58/92/60/556589260.db2.gz	VNPKFWPOMNAIPX-UHFFFAOYSA-N	0	0	431.584	5.215	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c1C	ZINC000032971659	556589600	/nfs/dbraw/zinc/58/96/00/556589600.db2.gz	ZYPKGSWOEGHCFN-UHFFFAOYSA-N	0	0	449.574	5.355	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2cc(C)ccc2C)c1C	ZINC000032971759	556589610	/nfs/dbraw/zinc/58/96/10/556589610.db2.gz	SCQYUNJKVADRGD-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccc(C)cc2C)c1C	ZINC000032972025	556589865	/nfs/dbraw/zinc/58/98/65/556589865.db2.gz	FFMCGBNKNLOXLS-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c1C	ZINC000032972115	556590057	/nfs/dbraw/zinc/59/00/57/556590057.db2.gz	PIZDEQXNLRFMJD-UHFFFAOYSA-N	0	0	441.938	5.019	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccc(OCC)cc2)c(C)n1	ZINC000032972764	556591118	/nfs/dbraw/zinc/59/11/18/556591118.db2.gz	QEOAJPSFLOSQIU-UHFFFAOYSA-N	0	0	447.583	5.015	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccccc2OCC)c(C)n1	ZINC000032972778	556591497	/nfs/dbraw/zinc/59/14/97/556591497.db2.gz	VAEKPQKVHCCFML-UHFFFAOYSA-N	0	0	447.583	5.015	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2cccc(Cl)c2C)c(C)n1	ZINC000032972846	556591519	/nfs/dbraw/zinc/59/15/19/556591519.db2.gz	FKHMUZYRQWENAY-UHFFFAOYSA-N	0	0	441.938	5.101	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2cc(C)ccc2C)c(C)n1	ZINC000032972867	556591706	/nfs/dbraw/zinc/59/17/06/556591706.db2.gz	DKKAUQWBYNBETQ-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)cc(C)c2)c(C)n1	ZINC000032973013	556591982	/nfs/dbraw/zinc/59/19/82/556591982.db2.gz	JTBSHGQHSYSOFT-UHFFFAOYSA-N	0	0	431.584	5.233	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2ccccc2CC)c(C)n1	ZINC000032972979	556591993	/nfs/dbraw/zinc/59/19/93/556591993.db2.gz	GCCGCXMUYDPMCG-UHFFFAOYSA-N	0	0	431.584	5.179	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(C)c2)Nc2ccccc2CC)c(C)n1	ZINC000032972975	556592020	/nfs/dbraw/zinc/59/20/20/556592020.db2.gz	VJKOBMVUMRJRGT-UHFFFAOYSA-N	0	0	431.584	5.179	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cccc(Cl)c2)c(C)n1	ZINC000032972929	556592606	/nfs/dbraw/zinc/59/26/06/556592606.db2.gz	OWUVCSUHZYZYSN-UHFFFAOYSA-N	0	0	441.938	5.101	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(Cl)c2)c(C)n1	ZINC000032972928	556592693	/nfs/dbraw/zinc/59/26/93/556592693.db2.gz	DRMQAGSJKOGZLG-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(Cl)cc2C)c(C)n1	ZINC000032973122	556593193	/nfs/dbraw/zinc/59/31/93/556593193.db2.gz	AITSCUVZAQVFHI-UHFFFAOYSA-N	0	0	441.938	5.101	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973288	556593672	/nfs/dbraw/zinc/59/36/72/556593672.db2.gz	MRZKIIRYDFUAJQ-UHFFFAOYSA-N	0	0	449.574	5.223	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C(CCCC2=O)N1	ZINC000016294212	556598910	/nfs/dbraw/zinc/59/89/10/556598910.db2.gz	RYMSTZOJZHSMKA-OAQYLSRUSA-N	0	0	444.428	5.451	50	30		IKEARN
Cc1ccccc1S(=O)(=O)N=C(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1	ZINC000016319332	556600119	/nfs/dbraw/zinc/60/01/19/556600119.db2.gz	BBUCUPOEXUDFOO-UHFFFAOYSA-N	0	0	434.439	5.141	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(Cl)c2)c2ccccc2S1(=O)=O	ZINC000032984243	556603588	/nfs/dbraw/zinc/60/35/88/556603588.db2.gz	CCHWZHHYSAGSNN-UHFFFAOYSA-N	0	0	430.312	5.643	50	30		IKEARN
COc1ccc(N2C=C(C(=O)c3ccc(C)cc3C)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984415	556603668	/nfs/dbraw/zinc/60/36/68/556603668.db2.gz	QOSPNDYUXUXLCM-UHFFFAOYSA-N	0	0	437.492	5.101	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3cc(C)cc(C)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984294	556604024	/nfs/dbraw/zinc/60/40/24/556604024.db2.gz	LKMHBWYSBBAYCP-UHFFFAOYSA-N	0	0	433.529	5.352	50	30		IKEARN
CCCCc1ccc(N2C=C(C(=O)c3ccccc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984322	556604052	/nfs/dbraw/zinc/60/40/52/556604052.db2.gz	YVPJTMMOKMCAHS-UHFFFAOYSA-N	0	0	435.520	5.818	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(Cl)cc2)c2cc(F)ccc2S1(=O)=O	ZINC000032984402	556604216	/nfs/dbraw/zinc/60/42/16/556604216.db2.gz	DEQVUTZBCFGVJT-UHFFFAOYSA-N	0	0	448.302	5.782	50	30		IKEARN
Cc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984385	556604232	/nfs/dbraw/zinc/60/42/32/556604232.db2.gz	RTQNUFLFSSFFMC-UHFFFAOYSA-N	0	0	427.884	5.437	50	30		IKEARN
CCc1ccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984387	556604248	/nfs/dbraw/zinc/60/42/48/556604248.db2.gz	RVVGQYWXSIWWRL-UHFFFAOYSA-N	0	0	441.911	5.691	50	30		IKEARN
CCOc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(C)=O	ZINC000016393243	556604768	/nfs/dbraw/zinc/60/47/68/556604768.db2.gz	SUMCZHBAUZFVPT-VWLOTQADSA-N	0	0	427.500	5.728	50	30		IKEARN
Fc1ccccc1Cn1cc(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2ccccc21	ZINC000016450199	556609528	/nfs/dbraw/zinc/60/95/28/556609528.db2.gz	OCLZJAXSUFFYAO-GESPGMLMSA-N	0	0	433.355	5.970	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1	ZINC000032916750	556615653	/nfs/dbraw/zinc/61/56/53/556615653.db2.gz	LTXNXMNFENGWCH-LPYMAVHISA-N	0	0	435.980	6.256	50	30		IKEARN
CCCCCOc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	ZINC000016663461	556621274	/nfs/dbraw/zinc/62/12/74/556621274.db2.gz	CROQEAYCVFSDRH-VFCFBJKWSA-N	0	0	437.547	6.221	50	30		IKEARN
COc1ccc(OCC(=O)Nc2ccc(C(=O)/C=C\c3ccc(SC)cc3)cc2)cc1	ZINC000033694115	556622588	/nfs/dbraw/zinc/62/25/88/556622588.db2.gz	WKYOUHBZULHIMX-BNCCVWRVSA-N	0	0	433.529	5.331	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)c(O)c1	ZINC000005030922	556623304	/nfs/dbraw/zinc/62/33/04/556623304.db2.gz	KSYANNGOWZDSSO-SANMLTNESA-N	0	0	433.596	6.077	50	30		IKEARN
Cc1ccc(-c2nc(N=NCc3ccccc3)sc2NC(=O)Cc2ccccc2)cc1	ZINC000016753103	556638107	/nfs/dbraw/zinc/63/81/07/556638107.db2.gz	JBTXPTNPQQMLMY-YZSQISJMSA-N	0	0	426.545	5.746	50	30		IKEARN
CCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000016807390	556644430	/nfs/dbraw/zinc/64/44/30/556644430.db2.gz	QTVGNHNGDIGMKF-LJQANCHMSA-N	0	0	437.609	5.596	50	30		IKEARN
CC(C)Sc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CC(C)(C)CC1=O)N2	ZINC000016807383	556644508	/nfs/dbraw/zinc/64/45/08/556644508.db2.gz	VAEOSPLUXZLREG-MRXNPFEDSA-N	0	0	429.973	5.124	50	30		IKEARN
Cc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4F)nc3NC3=C2C(=O)CCC3)cc1	ZINC000017041237	556653943	/nfs/dbraw/zinc/65/39/43/556653943.db2.gz	HAQHFPKDKNJNHC-HXUWFJFHSA-N	0	0	447.535	5.487	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1	ZINC000017043881	556654030	/nfs/dbraw/zinc/65/40/30/556654030.db2.gz	XXOXHKPAFDFNLX-KPURRNSFSA-N	0	0	436.555	6.306	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@H]1c1ccc(C)cc1	ZINC000017043877	556654119	/nfs/dbraw/zinc/65/41/19/556654119.db2.gz	XXOXHKPAFDFNLX-PZGXJGMVSA-N	0	0	436.555	6.306	50	30		IKEARN
CCCNC(=O)c1ccsc1/N=C/c1cc(Br)ccc1OCCC(C)C	ZINC000017101239	556665956	/nfs/dbraw/zinc/66/59/56/556665956.db2.gz	KZVWVXWCPKWMCT-YDZHTSKRSA-N	0	0	437.403	5.826	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000017163301	556670836	/nfs/dbraw/zinc/67/08/36/556670836.db2.gz	VUJKUSLQOGJVTJ-RUZDIDTESA-N	0	0	447.535	5.784	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccccc2CC)N(CC)C1=O	ZINC000017167085	556671216	/nfs/dbraw/zinc/67/12/16/556671216.db2.gz	UCDIRXNTFIAGTA-IXTCTEKTSA-N	0	0	444.600	6.815	50	30		IKEARN
O=C1c2ccccc2C(=O)C(n2nnc3ccccc32)=C1Nc1ccc(Br)cc1	ZINC000017179842	556671743	/nfs/dbraw/zinc/67/17/43/556671743.db2.gz	CFDIVWHVFIILTB-CLCOLTQESA-N	0	0	445.276	5.047	50	30		IKEARN
COc1ccc(/N=C(/N2CCCCC2)P(=O)(N2CCCCC2)N2CCCCC2)cc1	ZINC000017186158	556672033	/nfs/dbraw/zinc/67/20/33/556672033.db2.gz	STMWIRUKXDCINS-VHXPQNKSSA-N	0	0	432.549	5.334	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccccc1F	ZINC000011914358	556673828	/nfs/dbraw/zinc/67/38/28/556673828.db2.gz	ZDZRPDQAASTLEJ-QFIPXVFZSA-N	0	0	425.500	5.239	50	30		IKEARN
CCN(Cc1ccc(C#N)cc1F)Cn1nc(Nc2ccc(C)c(C)c2)sc1=S	ZINC000032935415	556678140	/nfs/dbraw/zinc/67/81/40/556678140.db2.gz	DBECQIOQVRLLAQ-UHFFFAOYSA-N	0	0	427.574	5.525	50	30		IKEARN
Cc1ccc2c(Cl)cc(Cl)c(OC/C(=N/c3ccccc3)Nc3ccccc3)c2n1	ZINC000013524563	556678145	/nfs/dbraw/zinc/67/81/45/556678145.db2.gz	DVFIYRYYIFQQHX-UHFFFAOYSA-N	0	0	436.342	7.071	50	30		IKEARN
Cc1ccccc1OCCSc1nc(-c2ccccc2Cl)c2c(c1C#N)CCCC2	ZINC000013524504	556678158	/nfs/dbraw/zinc/67/81/58/556678158.db2.gz	WWGPSTWYSPSANR-UHFFFAOYSA-N	0	0	434.992	6.632	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1	ZINC000017783296	556679276	/nfs/dbraw/zinc/67/92/76/556679276.db2.gz	GFBWHKMHZFPNDT-OYHNWAKOSA-N	0	0	427.591	5.431	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cc(C)sc1SC	ZINC000017821568	556679648	/nfs/dbraw/zinc/67/96/48/556679648.db2.gz	QSWKHWCARMUOIP-KKSFZXQISA-N	0	0	439.602	5.313	50	30		IKEARN
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)[C@H](c3ccc(Br)cc3)[C@@H]1CC2	ZINC000018029681	556682008	/nfs/dbraw/zinc/68/20/08/556682008.db2.gz	WORYLAZEPKLIAL-BUSFYLHUSA-N	0	0	439.353	5.274	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2	ZINC000018059796	556682415	/nfs/dbraw/zinc/68/24/15/556682415.db2.gz	RYVDBLNLUOGLOD-OYHNWAKOSA-N	0	0	427.887	5.628	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1	ZINC000018068182	556682794	/nfs/dbraw/zinc/68/27/94/556682794.db2.gz	RFGAFOURCLUOMA-NFQMXDRXSA-N	0	0	442.946	6.261	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(OC)cc2)cc1	ZINC000018106879	556684116	/nfs/dbraw/zinc/68/41/16/556684116.db2.gz	WDWAQXJHXSWBCK-PPHZAIPVSA-N	0	0	426.516	5.683	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	ZINC000018125799	556684395	/nfs/dbraw/zinc/68/43/95/556684395.db2.gz	RYVDBLNLUOGLOD-IVZQSRNASA-N	0	0	427.887	5.628	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)C2CC2)[C@H]3c2ccco2)cc1	ZINC000018130683	556684399	/nfs/dbraw/zinc/68/43/99/556684399.db2.gz	BFVILGZACDUFHH-HRFSGMKKSA-N	0	0	438.527	5.899	50	30		IKEARN
Cc1nn(-c2ccccn2)c2c1C(=Nc1ccc(C)cc1)C(=CNc1ccc(C)cc1)CC2	ZINC000018140210	556684672	/nfs/dbraw/zinc/68/46/72/556684672.db2.gz	PUPPBZVRWXBMAI-MPIXVDDRSA-N	0	0	433.559	6.256	50	30		IKEARN
Cc1cc(C)nc(NC(=NC(=O)c2ccccc2)Nc2cc(C(F)(F)F)ccc2Cl)n1	ZINC000018136959	556684757	/nfs/dbraw/zinc/68/47/57/556684757.db2.gz	NCIMNZMGIASSGZ-UHFFFAOYSA-N	0	0	447.848	5.486	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	ZINC000018143422	556685000	/nfs/dbraw/zinc/68/50/00/556685000.db2.gz	UXXFGVKPOTVQKM-PPHZAIPVSA-N	0	0	426.516	5.683	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC	ZINC000018244439	556687959	/nfs/dbraw/zinc/68/79/59/556687959.db2.gz	PAFKFZIOUCPJCQ-RUZDIDTESA-N	0	0	434.536	5.257	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(=O)C2[C@@H]1c1ccc(F)cc1	ZINC000018285627	556689428	/nfs/dbraw/zinc/68/94/28/556689428.db2.gz	BXNREIQYHKIHTL-MMTVBGGISA-N	0	0	440.518	6.136	50	30		IKEARN
CC(C)(C)c1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cc(C(C)(C)C)c1O	ZINC000018324068	556689731	/nfs/dbraw/zinc/68/97/31/556689731.db2.gz	HVSHJMSHWGEBHG-VWLOTQADSA-N	0	0	446.635	7.209	50	30		IKEARN
Cc1cc(/C=C2/C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000013552421	556696738	/nfs/dbraw/zinc/69/67/38/556696738.db2.gz	OFIKLJVQMWKART-HMAPJEAMSA-N	0	0	440.572	5.712	50	30		IKEARN
C=CCOc1ccc2c(c1)oc(=O)c(-c1cccc(Br)c1)c2-c1ccccc1	ZINC000002529938	556697407	/nfs/dbraw/zinc/69/74/07/556697407.db2.gz	NPJZMRPTNZLSMF-UHFFFAOYSA-N	0	0	433.301	6.454	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(SC)cc2)ccc1O	ZINC000033026453	556703201	/nfs/dbraw/zinc/70/32/01/556703201.db2.gz	ITOCUDZKPBQEBU-WAIKUNEKSA-N	0	0	448.544	5.377	50	30		IKEARN
Cc1ccc(C)c(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)c1	ZINC000033027027	556704043	/nfs/dbraw/zinc/70/40/43/556704043.db2.gz	XKYMMEMDVANRIZ-UHFFFAOYSA-N	0	0	433.895	6.268	50	30		IKEARN
Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccc5c(c4)OCO5)o3)o2)cc1C	ZINC000033027090	556704443	/nfs/dbraw/zinc/70/44/43/556704443.db2.gz	ROWCCQQMNMVLCZ-UHFFFAOYSA-N	0	0	443.459	5.343	50	30		IKEARN
C[C@@H]1CN(c2oc(-c3ccc(COc4ccc5ccccc5c4)o3)nc2C#N)C[C@H](C)O1	ZINC000033027111	556704476	/nfs/dbraw/zinc/70/44/76/556704476.db2.gz	BLWHKQOPCPKCEV-CALCHBBNSA-N	0	0	429.476	5.152	50	30		IKEARN
Cc1nc(-c2ccccc2)sc1-c1cc(-c2ccccc2)c(C#N)c(Br)n1	ZINC000221569779	556719585	/nfs/dbraw/zinc/71/95/85/556719585.db2.gz	URHCYJZENOXJPR-UHFFFAOYSA-N	0	0	432.346	6.482	50	30		IKEARN
O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccc(Cl)c1	ZINC000013728493	556721142	/nfs/dbraw/zinc/72/11/42/556721142.db2.gz	UDMXQIUVWKMNJZ-QFIPXVFZSA-N	0	0	444.874	5.260	50	30		IKEARN
C=C(C)C(=O)Oc1ccc(OC(=O)c2ccc(OCCCCCC)c([N+](=O)[O-])c2)cc1	ZINC000013778762	556731695	/nfs/dbraw/zinc/73/16/95/556731695.db2.gz	XZCDGMWDDCPSTP-UHFFFAOYSA-N	0	0	427.453	5.255	50	30		IKEARN
Cc1ccc([C@H]2c3ccccc3OC(c3cccs3)=C2/C=C\C(=O)c2ccccc2)cc1	ZINC000033924531	556733226	/nfs/dbraw/zinc/73/32/26/556733226.db2.gz	SWUMXSRWWQVLQO-QPIKWOFCSA-N	0	0	434.560	7.431	50	30		IKEARN
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1	ZINC000013880907	556748483	/nfs/dbraw/zinc/74/84/83/556748483.db2.gz	YFYLWYGYFQGQBR-UUYOSTAYSA-N	0	0	445.569	5.034	50	30		IKEARN
COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)c(OC)c1	ZINC000072333067	556749640	/nfs/dbraw/zinc/74/96/40/556749640.db2.gz	LGWIRWAGRWOHLZ-DEOSSOPVSA-N	0	0	443.547	5.399	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccccc1)OCCCO4	ZINC000005353907	556767374	/nfs/dbraw/zinc/76/73/74/556767374.db2.gz	VRSUVUBTXIPLIS-OAQYLSRUSA-N	0	0	427.544	5.488	50	30		IKEARN
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O	ZINC000034112425	556770181	/nfs/dbraw/zinc/77/01/81/556770181.db2.gz	GAKVNINHIOJQFK-HFWLGXHLSA-N	0	0	442.477	6.410	50	30		IKEARN
N#Cc1ccc(COCC2CCN(C(=O)C3c4ccccc4Oc4ccccc43)CC2)cc1	ZINC000206599563	556770456	/nfs/dbraw/zinc/77/04/56/556770456.db2.gz	VZDKXYAPBWJDSZ-UHFFFAOYSA-N	0	0	438.527	5.251	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000019535386	556793932	/nfs/dbraw/zinc/79/39/32/556793932.db2.gz	IENQBFXOQIWOAP-HSZRJFAPSA-N	0	0	435.951	5.687	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CCCC2=O)N1	ZINC000019535510	556793935	/nfs/dbraw/zinc/79/39/35/556793935.db2.gz	DKOWFPXWOGZNDE-OAQYLSRUSA-N	0	0	442.342	5.705	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@H](c2cccc(Br)c2)C2=C(CCCC2=O)N1	ZINC000019535939	556794053	/nfs/dbraw/zinc/79/40/53/556794053.db2.gz	WEUPWBNKPHPDRU-NRFANRHFSA-N	0	0	444.369	5.293	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(-c4ccco4)o3)sc2C1	ZINC000002396213	556799354	/nfs/dbraw/zinc/79/93/54/556799354.db2.gz	WELYEHZSADMFIF-GFCCVEGCSA-N	0	0	442.566	5.145	50	30		IKEARN
NC1=C(c2nc3ccccc3s2)C(=O)[C@H](c2ccccc2)N1CCc1ccc(Cl)cc1	ZINC000003319732	556810262	/nfs/dbraw/zinc/81/02/62/556810262.db2.gz	BFEJYERATGLZED-QFIPXVFZSA-N	0	0	445.975	5.446	50	30		IKEARN
N#Cc1c(NC(=O)COC(=O)/C=C/c2cccc(C(F)(F)F)c2)sc2c1CCCCC2	ZINC000003294461	556810781	/nfs/dbraw/zinc/81/07/81/556810781.db2.gz	OELJSOLXWGDWBQ-MDZDMXLPSA-N	0	0	448.466	5.103	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl)CCCCC2	ZINC000003294851	556810994	/nfs/dbraw/zinc/81/09/94/556810994.db2.gz	CJXVHELQIMGMNP-UHFFFAOYSA-N	0	0	445.919	5.687	50	30		IKEARN
C=CCn1c(SCCOc2cc(C)ccc2C)nc2scc(-c3ccco3)c2c1=O	ZINC000003299062	556811290	/nfs/dbraw/zinc/81/12/90/556811290.db2.gz	FVOPHRIBCFYQJV-UHFFFAOYSA-N	0	0	438.574	5.692	50	30		IKEARN
N#Cc1ccc(COC(=O)c2cc(-c3ccc(OC(F)F)cc3)nc3ccccc32)cc1	ZINC000003363194	556811775	/nfs/dbraw/zinc/81/17/75/556811775.db2.gz	YSOBXKNBLPPNSY-UHFFFAOYSA-N	0	0	430.410	5.732	50	30		IKEARN
CCCCCCCc1ccc(C(=O)Oc2cccc(NC(=O)Cc3ccccc3)c2)cc1	ZINC000097944599	556815171	/nfs/dbraw/zinc/81/51/71/556815171.db2.gz	JYGMJIMYZUHPLV-UHFFFAOYSA-N	0	0	429.560	6.600	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(Br)cc3C)NC2=O)cc1Cl	ZINC000096475749	556816964	/nfs/dbraw/zinc/81/69/64/556816964.db2.gz	JGMVFJLFZKPFLZ-SXGWCWSVSA-N	0	0	437.746	5.311	50	30		IKEARN
COc1cccc(-c2nc3cc(/N=C/c4ccc(OCc5ccccc5)cc4)ccc3o2)c1	ZINC000003117110	556826936	/nfs/dbraw/zinc/82/69/36/556826936.db2.gz	YGNUWVNSNHDXQG-RDRPBHBLSA-N	0	0	434.495	6.833	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005593079	556827281	/nfs/dbraw/zinc/82/72/81/556827281.db2.gz	QBJPUYTWPQBQQS-XMMPIXPASA-N	0	0	427.548	5.780	50	30		IKEARN
CCn1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccccc3Br)c2)n1	ZINC000019633259	556833488	/nfs/dbraw/zinc/83/34/88/556833488.db2.gz	KIMMQRYZDSYUGN-CSKARUKUSA-N	0	0	441.325	5.149	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1	ZINC000019635426	556834724	/nfs/dbraw/zinc/83/47/24/556834724.db2.gz	GJXNZLWSOVVDNT-OYHNWAKOSA-N	0	0	442.342	5.528	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(O)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019638554	556836467	/nfs/dbraw/zinc/83/64/67/556836467.db2.gz	MDKPGMFAWUMHKT-RXFWQSSRSA-N	0	0	443.543	5.240	50	30		IKEARN
O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000019638855	556836654	/nfs/dbraw/zinc/83/66/54/556836654.db2.gz	GVSWZUGWKHMTRH-DZNDYGJHSA-N	0	0	443.572	6.074	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(C(=O)OC)cc1	ZINC000096609628	556837394	/nfs/dbraw/zinc/83/73/94/556837394.db2.gz	OBPBUAWGQFZUQD-MDRWVBAWSA-N	0	0	435.332	5.404	50	30		IKEARN
O=C(Oc1ccc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	ZINC000096602401	556838019	/nfs/dbraw/zinc/83/80/19/556838019.db2.gz	AZNOABHQADOCLH-MOSHPQCFSA-N	0	0	438.266	5.557	50	30		IKEARN
N#Cc1ccc2[nH]cc(CN3CCN([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1	ZINC000096602334	556838031	/nfs/dbraw/zinc/83/80/31/556838031.db2.gz	VHUNBHULBDDDBS-HHHXNRCGSA-N	0	0	440.978	5.600	50	30		IKEARN
N#Cc1ccc2[nH]cc(CN3CCN([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2c1	ZINC000096602333	556838059	/nfs/dbraw/zinc/83/80/59/556838059.db2.gz	VHUNBHULBDDDBS-MHZLTWQESA-N	0	0	440.978	5.600	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C	ZINC000019643810	556838515	/nfs/dbraw/zinc/83/85/15/556838515.db2.gz	PVKTZYSQXFLDJZ-FNZWTVRRSA-N	0	0	445.559	5.399	50	30		IKEARN
CCCCCCCCCCCCCCCCN1C(=O)C(O)=C(C(C)=O)[C@@H]1c1ccccc1	ZINC000097951296	556848528	/nfs/dbraw/zinc/84/85/28/556848528.db2.gz	ZVXXFMFDGXVLQZ-SANMLTNESA-N	0	0	441.656	7.452	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(C)cc2)C1	ZINC000097952917	556849790	/nfs/dbraw/zinc/84/97/90/556849790.db2.gz	RNKOBFACQDCZQT-QHCPKHFHSA-N	0	0	431.624	7.006	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc21	ZINC000097952912	556850006	/nfs/dbraw/zinc/85/00/06/556850006.db2.gz	PNJRESPOMHBQTP-UHFFFAOYSA-N	0	0	444.535	5.486	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cccc(CC)c2)c2nc3ccccc3nc21	ZINC000097952664	556850023	/nfs/dbraw/zinc/85/00/23/556850023.db2.gz	PRWNBFUWWKNCPB-UHFFFAOYSA-N	0	0	430.552	5.846	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(OC)cc2)C1	ZINC000097954202	556850179	/nfs/dbraw/zinc/85/01/79/556850179.db2.gz	JAOWTFRJFOYGJG-QFIPXVFZSA-N	0	0	447.623	6.706	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccccc2OC)C1	ZINC000097954775	556850181	/nfs/dbraw/zinc/85/01/81/556850181.db2.gz	HLPJGEFAZYYPTN-OAQYLSRUSA-N	0	0	433.596	6.316	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000097954741	556850185	/nfs/dbraw/zinc/85/01/85/556850185.db2.gz	QUYKQUBUXJYEIT-NRFANRHFSA-N	0	0	433.596	6.316	50	30		IKEARN
CCCCCCCCCCn1c2ccccc2nc1[C@H]1CC(=O)N(c2cccc(C)c2)C1	ZINC000097954160	556850202	/nfs/dbraw/zinc/85/02/02/556850202.db2.gz	XUOVDNGQFJTUMM-QHCPKHFHSA-N	0	0	431.624	7.006	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(OC)c2)C1	ZINC000097954740	556850252	/nfs/dbraw/zinc/85/02/52/556850252.db2.gz	QUYKQUBUXJYEIT-OAQYLSRUSA-N	0	0	433.596	6.316	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OCc4cccc(OC)c4)ccc3C2=O)c2ccccc21	ZINC000008991936	556853320	/nfs/dbraw/zinc/85/33/20/556853320.db2.gz	RIOAIJQUVPDBRR-VULFUBBASA-N	0	0	425.484	5.865	50	30		IKEARN
CC(C)(C)C1CCC(OC(=O)CCCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1	ZINC000004689333	556881834	/nfs/dbraw/zinc/88/18/34/556881834.db2.gz	GUYBZSDNFAZOAG-UHFFFAOYSA-N	0	0	430.614	5.755	50	30		IKEARN
Cn1c2ccccc2nc1-c1ccccc1N=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1	ZINC000004714762	556888810	/nfs/dbraw/zinc/88/88/10/556888810.db2.gz	VBQURYDSCJHWGG-UHFFFAOYSA-N	0	0	425.576	6.841	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004712787	556890374	/nfs/dbraw/zinc/89/03/74/556890374.db2.gz	JTFHIBPPUAYFMW-QHCPKHFHSA-N	0	0	425.569	5.423	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2)cc1	ZINC000019762179	556906202	/nfs/dbraw/zinc/90/62/02/556906202.db2.gz	VSCKTDPFELJHJH-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000019762475	556906881	/nfs/dbraw/zinc/90/68/81/556906881.db2.gz	ZWMDYDWSLZDAAN-CPJSRVTESA-N	0	0	431.532	5.008	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019762432	556906981	/nfs/dbraw/zinc/90/69/81/556906981.db2.gz	YWGBWEAQQLRIII-UFHPHHKVSA-N	0	0	449.550	5.792	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019798392	556916720	/nfs/dbraw/zinc/91/67/20/556916720.db2.gz	CBUBAZFLWZEAAB-XMMPIXPASA-N	0	0	449.978	5.730	50	30		IKEARN
C=CCOc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OCC)c2ccccc2C3=O)cc1Cl	ZINC000019804664	556917963	/nfs/dbraw/zinc/91/79/63/556917963.db2.gz	FZBOJNQJTOHFSM-OAQYLSRUSA-N	0	0	435.907	5.036	50	30		IKEARN
C/C(=N\N1CCN(C2c3ccccc3-c3ccccc32)CC1)c1ccc(Cl)cc1Cl	ZINC000019808848	556918380	/nfs/dbraw/zinc/91/83/80/556918380.db2.gz	ZMZKOUTWWJXFQD-OGLMXYFKSA-N	0	0	436.386	6.105	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccs2)cc1	ZINC000019831169	556926526	/nfs/dbraw/zinc/92/65/26/556926526.db2.gz	HPZJEKCONPWXKY-QHCPKHFHSA-N	0	0	437.561	5.104	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019832355	556927348	/nfs/dbraw/zinc/92/73/48/556927348.db2.gz	PDSNKZYSTISUEI-MHECFPHRSA-N	0	0	435.951	5.653	50	30		IKEARN
CSc1ccc([C@@H]2C(C(=O)Nc3ccccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019840531	556929349	/nfs/dbraw/zinc/92/93/49/556929349.db2.gz	KOCLNSLPPORYAS-JOCHJYFZSA-N	0	0	433.577	5.046	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1	ZINC000019879803	556936434	/nfs/dbraw/zinc/93/64/34/556936434.db2.gz	XTGBMTDYYFWIIP-BYEGDDEQSA-N	0	0	438.597	5.696	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc3ccccc32)SC(=Cc2ccc(OC)cc2)C1=O	ZINC000019925488	556944553	/nfs/dbraw/zinc/94/45/53/556944553.db2.gz	HSHLYGHTOOIUME-QNGOZBTKSA-N	0	0	431.513	5.392	50	30		IKEARN
CC(=O)C1=C(C)N[C@H](c2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000019943870	556953942	/nfs/dbraw/zinc/95/39/42/556953942.db2.gz	FOUPCSKNFATMEY-MOPGFXCFSA-N	0	0	430.162	6.096	50	30		IKEARN
CCCCCCCCCCCCCCCCNc1ccc(/N=N/c2ccc(C#N)cc2)cc1	ZINC000097958710	556977990	/nfs/dbraw/zinc/97/79/90/556977990.db2.gz	VWVBMGVPJZJOFW-ULIFNZDWSA-N	0	0	446.683	9.867	50	30		IKEARN
CCCCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1	ZINC000097968818	556989171	/nfs/dbraw/zinc/98/91/71/556989171.db2.gz	RJNNANDABJZSRA-GHMPKOMJSA-N	0	0	432.608	6.903	50	30		IKEARN
CCCCCCCCOc1ccc(C=C2SC(Nc3cccc(C)c3C)=NC2=O)cc1	ZINC000097968962	556989318	/nfs/dbraw/zinc/98/93/18/556989318.db2.gz	ONSUEHPOAPMAFD-MOHJPFBDSA-N	0	0	436.621	7.125	50	30		IKEARN
CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000020175985	556995211	/nfs/dbraw/zinc/99/52/11/556995211.db2.gz	JXVXKLQLAMETLE-ZVHZXABRSA-N	0	0	448.504	5.628	50	30		IKEARN
O=C1C=C(NCCSCc2cccc(C(F)(F)F)c2)C[C@@H](c2ccc(Cl)cc2)C1	ZINC000020224098	557000909	/nfs/dbraw/zinc/00/09/09/557000909.db2.gz	SDOCCHAPCBQVFS-QGZVFWFLSA-N	0	0	439.930	6.212	50	30		IKEARN
COc1cc(OC)cc(/C(O)=N/c2c(=O)oc3ccccc3c2NCc2ccccc2)c1	ZINC000020228106	557001069	/nfs/dbraw/zinc/00/10/69/557001069.db2.gz	HAYUNQMYPKIQBG-UHFFFAOYSA-N	0	0	430.460	5.059	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(-c2ccc(OC)cc2)c2nc3ccccc3nc21	ZINC000097998493	557004208	/nfs/dbraw/zinc/00/42/08/557004208.db2.gz	QWHWDDAPTMQSDM-UHFFFAOYSA-N	0	0	446.551	5.682	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3Cl)C(=O)O2)cc1	ZINC000097997729	557004304	/nfs/dbraw/zinc/00/43/04/557004304.db2.gz	SHIATAAJJMYXAO-CLCOLTQESA-N	0	0	439.983	7.204	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)cc1	ZINC000097997737	557004376	/nfs/dbraw/zinc/00/43/76/557004376.db2.gz	KRXMUTUJIGCAJY-QQTULTPQSA-N	0	0	435.564	6.559	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl	ZINC000020322688	557007740	/nfs/dbraw/zinc/00/77/40/557007740.db2.gz	LJCYWJFELCCEMQ-OYHNWAKOSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@H]1c1ccccc1Cl	ZINC000020322706	557007770	/nfs/dbraw/zinc/00/77/70/557007770.db2.gz	LJCYWJFELCCEMQ-QRQCRPRQSA-N	0	0	425.887	5.014	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(F)cc3)C2)[C@@H]1c1ccccc1Cl	ZINC000020322700	557007778	/nfs/dbraw/zinc/00/77/78/557007778.db2.gz	LJCYWJFELCCEMQ-IVZQSRNASA-N	0	0	425.887	5.014	50	30		IKEARN
Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)c(C)c1	ZINC000020357021	557011160	/nfs/dbraw/zinc/01/11/60/557011160.db2.gz	GVRGFCVKOQVXOF-HHHXNRCGSA-N	0	0	441.531	5.515	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(Cl)cc2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943037	557011698	/nfs/dbraw/zinc/01/16/98/557011698.db2.gz	AUCHPVCYSGQBDS-UHFFFAOYSA-N	0	0	444.966	5.824	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(C(=O)N2CCOCC2)cc1	ZINC000098000407	557011881	/nfs/dbraw/zinc/01/18/81/557011881.db2.gz	VYPIGRKSKPXRRY-UHFFFAOYSA-N	0	0	431.661	7.019	50	30		IKEARN
Oc1ccccc1/C=N\c1ccccc1SCc1csc(-c2ccc(Cl)cc2)n1	ZINC000020414108	557014455	/nfs/dbraw/zinc/01/44/55/557014455.db2.gz	ZBTVKKASNMLSID-MXAYSNPKSA-N	0	0	436.989	7.212	50	30		IKEARN
COc1ccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)cc1	ZINC000032943155	557017233	/nfs/dbraw/zinc/01/72/33/557017233.db2.gz	FSYAWSZYTICOOL-UHFFFAOYSA-N	0	0	432.568	5.274	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1	ZINC000010681994	557017544	/nfs/dbraw/zinc/01/75/44/557017544.db2.gz	BIGHCOMNBBKPBH-UHFFFAOYSA-N	0	0	444.560	5.487	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2C)cc1F	ZINC000032943215	557017920	/nfs/dbraw/zinc/01/79/20/557017920.db2.gz	FHLFTOJVXPRJGL-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1c(F)cccc1F)NCCc1c[nH]c2ccccc12	ZINC000032943384	557019185	/nfs/dbraw/zinc/01/91/85/557019185.db2.gz	VXTGTMXWMGVSOJ-UHFFFAOYSA-N	0	0	446.501	5.449	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1F	ZINC000032943441	557019534	/nfs/dbraw/zinc/01/95/34/557019534.db2.gz	ALBWMSXSPSRSOR-UHFFFAOYSA-N	0	0	432.474	5.195	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)CC(C)C	ZINC000098017925	557026417	/nfs/dbraw/zinc/02/64/17/557026417.db2.gz	TXFDYBWNCCANNX-UHFFFAOYSA-N	0	0	440.628	5.696	50	30		IKEARN
N#Cc1c(NC(=O)CCSc2ccccc2)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153774	557028562	/nfs/dbraw/zinc/02/85/62/557028562.db2.gz	ABIXYRSBGKSYGC-UHFFFAOYSA-N	0	0	433.602	5.299	50	30		IKEARN
N#Cc1c(NC(=O)Cc2cccc3ccccc32)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153767	557028786	/nfs/dbraw/zinc/02/87/86/557028786.db2.gz	GDNKOYARACQRRG-UHFFFAOYSA-N	0	0	437.568	5.512	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1nc3ccccc3s1)CN(Cc1ccccc1)CC2	ZINC000023153770	557028867	/nfs/dbraw/zinc/02/88/67/557028867.db2.gz	OJOBWDNYXMIABG-UHFFFAOYSA-N	0	0	430.558	5.040	50	30		IKEARN
CCCCCCCCCC(=O)Nc1nnc(SCC(=O)c2cccc(OC)c2)s1	ZINC000098021369	557029073	/nfs/dbraw/zinc/02/90/73/557029073.db2.gz	ZIYNLPMENTVWDI-UHFFFAOYSA-N	0	0	435.615	5.601	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cc(C)cc(C)c2)c1	ZINC000098021359	557029087	/nfs/dbraw/zinc/02/90/87/557029087.db2.gz	MUPAZVCNIQMCQQ-SANMLTNESA-N	0	0	438.637	6.771	50	30		IKEARN
CCCCCCCCC(=O)N1CCN(c2nc(C)nc(C)c2Cc2ccccc2F)CC1	ZINC000098021297	557029164	/nfs/dbraw/zinc/02/91/64/557029164.db2.gz	AVSLVHUCXSIMBW-UHFFFAOYSA-N	0	0	440.607	5.223	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)cc1	ZINC000098021314	557029182	/nfs/dbraw/zinc/02/91/82/557029182.db2.gz	BBFGQDJEHFMWER-VWLOTQADSA-N	0	0	442.600	6.684	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1	ZINC000098021498	557029392	/nfs/dbraw/zinc/02/93/92/557029392.db2.gz	OIGFNNCBOPHFKK-RUZDIDTESA-N	0	0	442.600	6.602	50	30		IKEARN
CCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(C)c(F)c2)c1	ZINC000098021499	557029405	/nfs/dbraw/zinc/02/94/05/557029405.db2.gz	OIGFNNCBOPHFKK-VWLOTQADSA-N	0	0	442.600	6.602	50	30		IKEARN
Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000023175877	557037068	/nfs/dbraw/zinc/03/70/68/557037068.db2.gz	ZIHDJTLTMKKKEZ-YRNVUSSQSA-N	0	0	438.439	5.743	50	30		IKEARN
CCCCCCCCCCc1ccc(-c2ccc(SCCCCCCCC)cc2)nc1	ZINC000098044745	557046009	/nfs/dbraw/zinc/04/60/09/557046009.db2.gz	ZJCVQXGDYXKXRB-UHFFFAOYSA-N	0	0	439.753	9.884	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1	ZINC000098048304	557046479	/nfs/dbraw/zinc/04/64/79/557046479.db2.gz	JJYFJZQCMBXZID-UHFFFAOYSA-N	0	0	435.395	7.325	50	30	biogenic	IKEARN
CCCCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1	ZINC000098046262	557046607	/nfs/dbraw/zinc/04/66/07/557046607.db2.gz	KNFWDEOYRQGUQA-QFIPXVFZSA-N	0	0	425.956	6.279	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nc2c3ccccc3[nH]c2c1=O	ZINC000017271238	557049225	/nfs/dbraw/zinc/04/92/25/557049225.db2.gz	HRSJUOHIBFUUKQ-UHFFFAOYSA-N	0	0	446.576	5.137	50	30		IKEARN
Clc1ccc(C=NN=c2cc(N3CCCCCC3)[nH]c(N3CCCCCC3)n2)cc1	ZINC000004738244	557058435	/nfs/dbraw/zinc/05/84/35/557058435.db2.gz	MEENJTHHQSMUCL-XIEYBQDHSA-N	0	0	426.996	5.337	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(N2CCOCC2)c1	ZINC000048303093	557064751	/nfs/dbraw/zinc/06/47/51/557064751.db2.gz	YGQOEVZOLKDXFJ-VMPITWQZSA-N	0	0	428.315	5.986	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1C	ZINC000033293968	557072284	/nfs/dbraw/zinc/07/22/84/557072284.db2.gz	HXPAHSAEJQQVQZ-XDHOZWIPSA-N	0	0	446.557	5.816	50	30		IKEARN
CC(C)CCCCOc1ccc(/C=N/N=C/c2ccc(OCCCCC(C)C)cc2)cc1	ZINC000004752103	557076707	/nfs/dbraw/zinc/07/67/07/557076707.db2.gz	TXHYCHHZIMRKFD-VFIVCBTMSA-N	0	0	436.640	7.550	50	30		IKEARN
CCc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321100	557105745	/nfs/dbraw/zinc/10/57/45/557105745.db2.gz	WBGLFIYLTVLZBJ-KOSHJBKYSA-N	0	0	430.504	5.218	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1OC	ZINC000033321069	557105749	/nfs/dbraw/zinc/10/57/49/557105749.db2.gz	HNDMICIJUBJPRI-HOYKHHGWSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1cc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC	ZINC000033321071	557105793	/nfs/dbraw/zinc/10/57/93/557105793.db2.gz	HNDMICIJUBJPRI-MHECFPHRSA-N	0	0	430.504	5.349	50	30		IKEARN
Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1	ZINC000017721782	557112258	/nfs/dbraw/zinc/11/22/58/557112258.db2.gz	ORXNONNFHLAHLN-PMICNGQHSA-N	0	0	439.471	5.583	50	30		IKEARN
O=C1/C(=N\c2ccc(Cl)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1	ZINC000033338160	557118871	/nfs/dbraw/zinc/11/88/71/557118871.db2.gz	QDEOGOZAGMTWLH-WCTVFOPTSA-N	0	0	443.978	5.720	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2c(C)cc(C)cc2C)SC1=S	ZINC000002672937	557119167	/nfs/dbraw/zinc/11/91/67/557119167.db2.gz	YPFSBZWLDOGRRX-STZFKDTASA-N	0	0	445.613	5.852	50	30		IKEARN
Cc1cc(OCCCC(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)ccc1Cl	ZINC000014903909	557119920	/nfs/dbraw/zinc/11/99/20/557119920.db2.gz	HMHPHVRPFVTEOC-UHFFFAOYSA-N	0	0	438.911	5.102	50	30		IKEARN
CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OCc2ccc(Cl)cc2)cc1	ZINC000014923676	557121561	/nfs/dbraw/zinc/12/15/61/557121561.db2.gz	HLKNSBFYTFERQX-OEAKJJBVSA-N	0	0	440.843	5.572	50	30		IKEARN
COc1cc2c(cc1OC)-c1c(C#N)c(-c3ccc(C)cc3)c(C(=O)c3ccccc3)n1CC2	ZINC000000624411	557121724	/nfs/dbraw/zinc/12/17/24/557121724.db2.gz	BGQVBRJXDWLQKK-UHFFFAOYSA-N	0	0	448.522	5.807	50	30		IKEARN
Cc1ccc([C@@H]2c3c(=O)[nH]c(SCc4cccc(C)c4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000004793368	557125543	/nfs/dbraw/zinc/12/55/43/557125543.db2.gz	IJYDOFLNIGXWJM-NRFANRHFSA-N	0	0	443.572	5.656	50	30		IKEARN
C=C(C)COc1ccc(/C=C2/N=C(c3ccccc3Br)OC2=O)cc1OCC	ZINC000000651595	557126882	/nfs/dbraw/zinc/12/68/82/557126882.db2.gz	WIQOQWWTANIOJY-WOJGMQOQSA-N	0	0	442.309	5.147	50	30		IKEARN
CCCC/N=C(/C=C1\SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1	ZINC000033352283	557128111	/nfs/dbraw/zinc/12/81/11/557128111.db2.gz	OPWCBPGPXAQPKY-JPVVWYJXSA-N	0	0	430.042	6.546	50	30		IKEARN
Cc1c(-c2ccccc2)sc2ncnc(N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)c12	ZINC000023983748	557129493	/nfs/dbraw/zinc/12/94/93/557129493.db2.gz	PITXMMKNYWDFQJ-NRFANRHFSA-N	0	0	443.551	5.193	50	30		IKEARN
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(F)cc3)c(N)c2[C@H]1c1ccc(Cl)cc1	ZINC000000658609	557130269	/nfs/dbraw/zinc/13/02/69/557130269.db2.gz	YNENGFDBOHXUCG-SFHVURJKSA-N	0	0	440.927	5.774	50	30		IKEARN
Cc1cccc(N2N=C(C(=O)Nc3nnc(-c4ccc(C(C)C)cc4)s3)CCC2=O)c1	ZINC000024092801	557136500	/nfs/dbraw/zinc/13/65/00/557136500.db2.gz	IAOWWRNFZXULQO-UHFFFAOYSA-N	0	0	433.537	5.408	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(=O)C(=O)N(CCc2ccccc2)[C@@H]1c1ccc(F)cc1	ZINC000000709280	557140599	/nfs/dbraw/zinc/14/05/99/557140599.db2.gz	GERFIDXGUNWYFX-JOCHJYFZSA-N	0	0	435.882	5.300	50	30		IKEARN
Oc1ccccc1/C=N/c1ccccc1OCOc1ccccc1/N=C/c1ccccc1O	ZINC000003146717	557144269	/nfs/dbraw/zinc/14/42/69/557144269.db2.gz	RMQMPNIWQXZDMF-POAOKBCDSA-N	0	0	438.483	6.014	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc2c1OCO2	ZINC000000714507	557147755	/nfs/dbraw/zinc/14/77/55/557147755.db2.gz	NCBBMZHTJFJXIK-VWLOTQADSA-N	0	0	427.500	5.887	50	30		IKEARN
N#Cc1ccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccccc5)cc4C3=O)cc2)cc1	ZINC000000725810	557151248	/nfs/dbraw/zinc/15/12/48/557151248.db2.gz	AQMKLXSQQHTPPR-UHFFFAOYSA-N	0	0	432.435	5.943	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1sc2ccccc2c1Cl	ZINC000000727909	557157086	/nfs/dbraw/zinc/15/70/86/557157086.db2.gz	QSSDXYKFFJCJEN-UHFFFAOYSA-N	0	0	425.966	5.974	50	30		IKEARN
O=S(=O)(N=C(Nc1ccccc1Sc1ccccc1)c1ccccc1)c1ccccc1	ZINC000006190041	557157178	/nfs/dbraw/zinc/15/71/78/557157178.db2.gz	KWXSYEXLIUYYFC-UHFFFAOYSA-N	0	0	444.581	6.085	50	30		IKEARN
CCCCCCCCCCCCCCCCCCSc1nnc(/N=C/N(C)C)s1	ZINC000095703689	557159948	/nfs/dbraw/zinc/15/99/48/557159948.db2.gz	UOIOYMOADILWCN-DARPEHSRSA-N	0	0	440.767	8.113	50	30		IKEARN
CC(=O)c1c(C)nc2c(C#N)c(C)n(-c3ccc(Br)cc3)c2c1-c1ccccc1	ZINC000000755421	557167989	/nfs/dbraw/zinc/16/79/89/557167989.db2.gz	OURUMQFGSQPXBG-UHFFFAOYSA-N	0	0	444.332	6.146	50	30		IKEARN
CC1(C)Cc2c(C#N)c(NC(=O)C(Cc3ccccc3)Cc3ccccc3)sc2CO1	ZINC000000751908	557168199	/nfs/dbraw/zinc/16/81/99/557168199.db2.gz	FLGUZZODZIZBHP-UHFFFAOYSA-N	0	0	430.573	5.511	50	30		IKEARN
CCOC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000000751976	557168299	/nfs/dbraw/zinc/16/82/99/557168299.db2.gz	CBZXKVRFVKYQGY-AREMUKBSSA-N	0	0	444.556	5.056	50	30		IKEARN
N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCCN1C(=O)c2ccccc2C1=O	ZINC000000755434	557169979	/nfs/dbraw/zinc/16/99/79/557169979.db2.gz	QEEQVJKCGUQBLE-UHFFFAOYSA-N	0	0	443.503	5.025	50	30		IKEARN
C=CC[C@]1(C#N)C(SC)=NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000000755585	557169984	/nfs/dbraw/zinc/16/99/84/557169984.db2.gz	ASKWCVANZBJACO-DENIHFKCSA-N	0	0	443.410	6.037	50	30		IKEARN
N#Cc1c(SCC(=O)c2cccs2)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000000756926	557170362	/nfs/dbraw/zinc/17/03/62/557170362.db2.gz	PCUUBMDHVSPNLY-UHFFFAOYSA-N	0	0	436.558	6.524	50	30		IKEARN
C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O	ZINC000100163363	557180472	/nfs/dbraw/zinc/18/04/72/557180472.db2.gz	ZGLHBRQAEXKACO-XJRQOBMKSA-N	0	0	428.657	5.727	50	30	endogenous,in-man	IKEARN
C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C	ZINC000009261540	557184307	/nfs/dbraw/zinc/18/43/07/557184307.db2.gz	CWDMSIQLYQLERE-HXUWFJFHSA-N	0	0	441.000	5.537	50	30		IKEARN
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(N=Nc1cccnc1)C(=O)c1ccccc1	ZINC000100843253	557191160	/nfs/dbraw/zinc/19/11/60/557191160.db2.gz	OSQSWUNBYNSBTR-MIXAMLLLSA-N	0	0	446.816	5.043	50	30		IKEARN
COc1cc(/C=N/c2ccc(Br)cc2)ccc1OC(=O)Oc1ccccc1	ZINC000100852757	557192832	/nfs/dbraw/zinc/19/28/32/557192832.db2.gz	VRBQIFYPUQPNBP-OEAKJJBVSA-N	0	0	426.266	5.786	50	30		IKEARN
CCCCCCCCCOc1ccc(/N=C/c2ccc(O[C@@H]3COCC=C3C)cc2)cc1	ZINC000100864083	557194811	/nfs/dbraw/zinc/19/48/11/557194811.db2.gz	XNUMMXZDRSMRNZ-HLYLYWOTSA-N	0	0	435.608	7.291	50	30		IKEARN
O=C1[C@H](Cc2ccc(F)cc2)S/C(=N/N=C/c2ccc(Cl)cc2)N1Cc1ccco1	ZINC000100878555	557197887	/nfs/dbraw/zinc/19/78/87/557197887.db2.gz	DCUGRKVJPDVMFU-PQSQLZRBSA-N	0	0	441.915	5.149	50	30		IKEARN
CCCCCCCCCOc1ccc(/C=N/c2ccc(O[C@H]3COCC=C3C)cc2)cc1	ZINC000100886820	557198257	/nfs/dbraw/zinc/19/82/57/557198257.db2.gz	SDTKHWMFHXSCKR-QZPVIKGESA-N	0	0	435.608	7.291	50	30		IKEARN
CCCCCCCCc1ccc(CCc2ccc(-c3ccc(Br)cc3)cc2)cc1	ZINC000100910961	557200049	/nfs/dbraw/zinc/20/00/49/557200049.db2.gz	VPIFMVGSYFBAQH-UHFFFAOYSA-N	0	0	449.476	8.804	50	30		IKEARN
O=C1N/C(=N\N=C\c2ccc(-c3cccc(Cl)c3)o2)S[C@@H]1Cc1cccc(Cl)c1	ZINC000011565467	557201538	/nfs/dbraw/zinc/20/15/38/557201538.db2.gz	GERDBPIXVJGFRW-QVHMZZSFSA-N	0	0	444.343	5.418	50	30		IKEARN
Cc1cc(C)c(S(=O)(=O)Oc2ccc(/N=C/c3cccc(C(F)(F)F)c3)cc2)c(C)c1	ZINC000100933638	557202659	/nfs/dbraw/zinc/20/26/59/557202659.db2.gz	IQGIUFDQXGHOGG-MZJWZYIUSA-N	0	0	447.478	6.149	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccncc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000000792609	557203589	/nfs/dbraw/zinc/20/35/89/557203589.db2.gz	TZQLJEPCNXUWFA-QFQXNSOFSA-N	0	0	442.559	5.319	50	30		IKEARN
N#Cc1ccc(/C=N/c2ccc(Oc3ccc(/N=C/c4ccc(C#N)cc4)cc3)cc2)cc1	ZINC000096609276	557203632	/nfs/dbraw/zinc/20/36/32/557203632.db2.gz	VMOGIYKUYBXASL-GKTLAHRSSA-N	0	0	426.479	6.723	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)c2nc3ccccc3o2)cc1	ZINC000011614476	557208881	/nfs/dbraw/zinc/20/88/81/557208881.db2.gz	VYHJWELMMIXHGU-KDCJDZRUSA-N	0	0	426.428	6.072	50	30		IKEARN
CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2)cc1	ZINC000100982901	557209839	/nfs/dbraw/zinc/20/98/39/557209839.db2.gz	XJLLISDVTIVJIN-UHFFFAOYSA-N	0	0	445.401	6.781	50	30	biogenic	IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@@H]1CC=CCC1	ZINC000169678648	557209999	/nfs/dbraw/zinc/20/99/99/557209999.db2.gz	SBXTZUYFCSRDJV-HRFSGMKKSA-N	0	0	447.623	5.299	50	30		IKEARN
O=C(/C=C/c1ccccc1Cl)c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000025558046	557214021	/nfs/dbraw/zinc/21/40/21/557214021.db2.gz	FGWISKKKODKKDN-VGOFMYFVSA-N	0	0	433.312	5.657	50	30		IKEARN
Oc1ccc(Br)cc1/C=N/c1nc(-c2ccc(Br)cc2)cs1	ZINC000025559349	557214382	/nfs/dbraw/zinc/21/43/82/557214382.db2.gz	ZTHWQBQYPKAUHJ-UFWORHAWSA-N	0	0	438.144	5.791	50	30		IKEARN
COc1ccc(-c2csc(N(/N=C(\C)c3ccc(Cl)cc3)c3ccccc3)n2)cc1	ZINC000025560155	557214833	/nfs/dbraw/zinc/21/48/33/557214833.db2.gz	HMWDMYDZIWYAKP-WPWMEQJKSA-N	0	0	433.964	7.034	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OC)c(Cl)c2)S/C1=N/c1ccc(OCC)cc1	ZINC000097464885	557218834	/nfs/dbraw/zinc/21/88/34/557218834.db2.gz	DLGWNTCNKOEYDP-POHHJLCXSA-N	0	0	430.957	5.761	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(OCC)cc1	ZINC000097464920	557218887	/nfs/dbraw/zinc/21/88/87/557218887.db2.gz	SKXGJPMPICTUNM-YFGQCYJXSA-N	0	0	440.565	5.507	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Br)cc2)cc1	ZINC000101069915	557223648	/nfs/dbraw/zinc/22/36/48/557223648.db2.gz	XPVJOZGNWYXKME-JBCNATCCSA-N	0	0	448.316	5.384	50	30		IKEARN
CC1=CC(C)(C)[N+](CCCC(=O)[O-])=c2cc3c(cc21)=Cc1ccc(N(C)C)cc1C3(C)C	ZINC000025759825	557224621	/nfs/dbraw/zinc/22/46/21/557224621.db2.gz	YASIJCFIVBXZFO-UHFFFAOYSA-O	0	0	431.600	5.437	50	30	in-vitro	IKEARN
COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1cccc(C)c1	ZINC000000809687	557228900	/nfs/dbraw/zinc/22/89/00/557228900.db2.gz	FUIGBCCUVSGYPQ-UHFFFAOYSA-N	0	0	443.543	5.284	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)Oc1ccc(/N=N/c2ccccc2)cc1	ZINC000097943423	557229932	/nfs/dbraw/zinc/22/99/32/557229932.db2.gz	FJBLWLWXKDTUKE-QVIHXGFCSA-N	0	0	436.640	9.489	50	30		IKEARN
CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl	ZINC000097950784	557230593	/nfs/dbraw/zinc/23/05/93/557230593.db2.gz	RSDDXNATUIZKTN-HNNXBMFYSA-N	0	0	434.622	6.578	50	30		IKEARN
CCCCCCCC(=O)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl	ZINC000097950877	557230680	/nfs/dbraw/zinc/23/06/80/557230680.db2.gz	KVYUSCFINZSFTB-HNNXBMFYSA-N	0	0	434.622	6.578	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N[C@@H](Nc1ccccc1)C(Cl)(Cl)Cl	ZINC000097950797	557230697	/nfs/dbraw/zinc/23/06/97/557230697.db2.gz	XZTKKQSXYVCNGS-OAQYLSRUSA-N	0	0	449.894	7.612	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@@H]2SCC(=O)N2c2ccc(CC)cc2)cc1	ZINC000098021392	557232305	/nfs/dbraw/zinc/23/23/05/557232305.db2.gz	QCVFHRMQHKDPKF-SANMLTNESA-N	0	0	438.637	6.717	50	30		IKEARN
CCCCCCCCCCCCCCOc1ccccc1NCn1nnc2ccccc21	ZINC000098050352	557232550	/nfs/dbraw/zinc/23/25/50/557232550.db2.gz	FGTQEUXJKFEIEW-UHFFFAOYSA-N	0	0	436.644	7.581	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Cl)c([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100003719	557236949	/nfs/dbraw/zinc/23/69/49/557236949.db2.gz	QUYQBEJRYLGLOV-IBGZPJMESA-N	0	0	447.915	5.107	50	30		IKEARN
CC1(C)CC(=O)C(C(c2cccc(C(F)(F)F)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100023893	557237630	/nfs/dbraw/zinc/23/76/30/557237630.db2.gz	TVQRBQCRQCJQFS-IBGZPJMESA-N	0	0	436.470	5.565	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1cnn3c1nc(-c1ccccc1)cc3C(F)F)CCCC2	ZINC000000815306	557238001	/nfs/dbraw/zinc/23/80/01/557238001.db2.gz	ANLLCJAVLKNCLU-UHFFFAOYSA-N	0	0	449.486	5.398	50	30		IKEARN
CCOC(=O)c1ccc(/N=C/N(Cc2ccccc2)c2ccc(C(=O)OCC)cc2)cc1	ZINC000100042728	557238951	/nfs/dbraw/zinc/23/89/51/557238951.db2.gz	WHRPFDOAMQIPQF-ZXVVBBHZSA-N	0	0	430.504	5.407	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000018143552	557242974	/nfs/dbraw/zinc/24/29/74/557242974.db2.gz	FHNUQLHNFJIHEW-LJQANCHMSA-N	0	0	434.879	6.026	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1Br	ZINC000018154557	557243807	/nfs/dbraw/zinc/24/38/07/557243807.db2.gz	OWEFIUSTMCYYBI-IBGZPJMESA-N	0	0	434.333	6.227	50	30		IKEARN
C(#Cc1cccc(-c2nc(-c3ccccc3)c(-c3cnc4ccccc4c3)[nH]2)c1)c1ccccc1	ZINC000018194171	557247243	/nfs/dbraw/zinc/24/72/43/557247243.db2.gz	PHTBGZJRFVQPKD-UHFFFAOYSA-N	0	0	447.541	7.359	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3	ZINC000018196234	557247949	/nfs/dbraw/zinc/24/79/49/557247949.db2.gz	JIBVDMOFOBRWAP-QKFKETGDSA-N	0	0	435.932	6.088	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)N2	ZINC000018196918	557248307	/nfs/dbraw/zinc/24/83/07/557248307.db2.gz	DPPKVWONRSMZNE-HHHXNRCGSA-N	0	0	441.527	5.847	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1cccc(OCc3ccccc3)c1)c1cc3c(cc1N2)OCO3	ZINC000018196827	557248434	/nfs/dbraw/zinc/24/84/34/557248434.db2.gz	METSHPXHVXMWDW-SANMLTNESA-N	0	0	425.484	5.559	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1cccc(OCc3ccccc3)c1)C1=C(CCCC1=O)N2	ZINC000018197153	557248683	/nfs/dbraw/zinc/24/86/83/557248683.db2.gz	KIAOTBPHMURIHE-MHZLTWQESA-N	0	0	441.527	5.847	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(CCCC1=O)N2	ZINC000018197158	557248695	/nfs/dbraw/zinc/24/86/95/557248695.db2.gz	IJBQHCMRVOKICQ-AREMUKBSSA-N	0	0	427.500	6.061	50	30		IKEARN
Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)s1	ZINC000018200816	557249386	/nfs/dbraw/zinc/24/93/86/557249386.db2.gz	DWXRYRSWBFAUSL-IVZQSRNASA-N	0	0	443.528	5.087	50	30		IKEARN
Cc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)s1	ZINC000018200820	557249400	/nfs/dbraw/zinc/24/94/00/557249400.db2.gz	DWXRYRSWBFAUSL-OYHNWAKOSA-N	0	0	443.528	5.087	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(C[C@@H](c3cccs3)CC1=O)N2	ZINC000018199729	557251087	/nfs/dbraw/zinc/25/10/87/557251087.db2.gz	VLYFPWGBPONZCI-HOYKHHGWSA-N	0	0	438.556	5.595	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2n[nH]c(C)c2[C@@H]3c2ccccc2Cl)cc1OC	ZINC000018199315	557251173	/nfs/dbraw/zinc/25/11/73/557251173.db2.gz	FGWIEEWJNLXGFK-CMJOXMDJSA-N	0	0	449.938	5.347	50	30		IKEARN
Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)S2)c1	ZINC000018255032	557254455	/nfs/dbraw/zinc/25/44/55/557254455.db2.gz	CBSRRWYSANEKAR-PDGQHHTCSA-N	0	0	426.950	6.284	50	30		IKEARN
CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(=O)C2[C@H]1c1c[nH]c2ccccc21	ZINC000018285127	557255993	/nfs/dbraw/zinc/25/59/93/557255993.db2.gz	XTDJTDQSFSJBQM-HHHXNRCGSA-N	0	0	441.575	6.357	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCc1ccc(C(C)(C)C)cc1	ZINC000100285341	557256605	/nfs/dbraw/zinc/25/66/05/557256605.db2.gz	QRGBGXFVUZSUBB-UHFFFAOYSA-N	0	0	429.733	8.862	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000101166010	557257810	/nfs/dbraw/zinc/25/78/10/557257810.db2.gz	PLAMASJBLAMQKA-XLNRJJMWSA-N	0	0	425.550	6.372	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)ccc1O	ZINC000027229159	557258913	/nfs/dbraw/zinc/25/89/13/557258913.db2.gz	JRROZVREZHGKHW-LZYBPNLTSA-N	0	0	442.846	5.355	50	30		IKEARN
CC1(C)CC(=O)C(C(=S)Nc2ccc(Cl)cc2Cl)=C(NCc2ccccc2)C1	ZINC000100430240	557261136	/nfs/dbraw/zinc/26/11/36/557261136.db2.gz	BGMKMKGJZSQBNF-UHFFFAOYSA-N	0	0	433.404	6.166	50	30		IKEARN
CCCCCCCCCCCC[C@H]1CCCCC1=NOC(=O)Nc1ccccc1Cl	ZINC000100442506	557261399	/nfs/dbraw/zinc/26/13/99/557261399.db2.gz	XIVDVFMFBDHNHZ-RNDJKCMBSA-N	0	0	435.052	8.746	50	30		IKEARN
O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2cccc(-c3nc4ccccc4s3)c2)c1	ZINC000100502405	557262774	/nfs/dbraw/zinc/26/27/74/557262774.db2.gz	YLAYICMIVDQPCF-AFUMVMLFSA-N	0	0	425.469	6.481	50	30		IKEARN
COc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O	ZINC000100507617	557262938	/nfs/dbraw/zinc/26/29/38/557262938.db2.gz	XBBPKCDGNMQZIT-BHGWPJFGSA-N	0	0	441.256	5.861	50	30		IKEARN
Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1	ZINC000100507095	557262958	/nfs/dbraw/zinc/26/29/58/557262958.db2.gz	OJNACHLJDKKELK-OPEKNORGSA-N	0	0	429.432	5.808	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccs2)C2=C(CCCC2=O)N1	ZINC000027547489	557265233	/nfs/dbraw/zinc/26/52/33/557265233.db2.gz	IIUOTKYMYVTEIO-HXUWFJFHSA-N	0	0	432.467	5.374	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(NC(=O)c4ccccc4)cnn3[C@@H]2c2ccc(Cl)cc2)C1	ZINC000027562064	557265567	/nfs/dbraw/zinc/26/55/67/557265567.db2.gz	LEPOKOHCWPBDRU-JOCHJYFZSA-N	0	0	446.938	5.447	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000000820460	557267500	/nfs/dbraw/zinc/26/75/00/557267500.db2.gz	JTIQQTDBHFYHSA-SANMLTNESA-N	0	0	443.543	6.175	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(N(C)C)cc1	ZINC000101285120	557267603	/nfs/dbraw/zinc/26/76/03/557267603.db2.gz	DQHQGHHKZDCYJW-RUZDIDTESA-N	0	0	446.595	5.905	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1ccccc1OC(F)F	ZINC000101284793	557267662	/nfs/dbraw/zinc/26/76/62/557267662.db2.gz	SZGZIWUUEJACFQ-LJQANCHMSA-N	0	0	434.487	5.072	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F	ZINC000101286266	557267845	/nfs/dbraw/zinc/26/78/45/557267845.db2.gz	GULLFLAQKKWZIN-XMMPIXPASA-N	0	0	435.543	6.368	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1	ZINC000101286285	557267967	/nfs/dbraw/zinc/26/79/67/557267967.db2.gz	YFKFCZWLMGYMRR-VWLOTQADSA-N	0	0	447.579	6.238	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1	ZINC000101286294	557268003	/nfs/dbraw/zinc/26/80/03/557268003.db2.gz	ZKTBALKEUPJCNQ-DEOSSOPVSA-N	0	0	435.543	6.368	50	30		IKEARN
CCCCCCCCCC(=O)Oc1ccc(C(=O)/C=C/c2cccc3ccccc23)cc1	ZINC000008383716	557268832	/nfs/dbraw/zinc/26/88/32/557268832.db2.gz	KPCYFTMFPHNVDZ-ZBJSNUHESA-N	0	0	428.572	7.782	50	30		IKEARN
CCCCCCCCCCCNc1c(CCCC)c(C)c(C#N)c2nc3ccccc3n21	ZINC000100693292	557270131	/nfs/dbraw/zinc/27/01/31/557270131.db2.gz	UODXDQMZUTUBOD-UHFFFAOYSA-N	0	0	432.656	7.953	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Br)cc1	ZINC000000830033	557272587	/nfs/dbraw/zinc/27/25/87/557272587.db2.gz	DGVQUIVMQBNTKQ-PZJWPPBQSA-N	0	0	434.333	5.491	50	30		IKEARN
CCCCCCCCCCCCCCCCCC1=Nc2cc(C)c(C)cc2NC(=O)C1	ZINC000100758598	557275940	/nfs/dbraw/zinc/27/59/40/557275940.db2.gz	MKJKUEHPZFTIMK-UHFFFAOYSA-N	0	0	426.689	8.980	50	30		IKEARN
COc1ccc(Cl)cc1NC1=C(c2ccc(C(F)(F)F)cc2)C(=O)c2ccccc21	ZINC000101363992	557277132	/nfs/dbraw/zinc/27/71/32/557277132.db2.gz	IRDIYIBIRAATJW-UHFFFAOYSA-N	0	0	429.825	6.544	50	30		IKEARN
Cc1cccc(NC(=O)CC2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1C	ZINC000100971578	557279970	/nfs/dbraw/zinc/27/99/70/557279970.db2.gz	ZRCJIXRZXOCBDR-PSCYQSDVSA-N	0	0	429.545	5.468	50	30		IKEARN
COc1ccc(NC2=C(c3ccc(C(F)(F)F)cc3)C(=O)c3ccccc32)cc1Cl	ZINC000101091755	557282745	/nfs/dbraw/zinc/28/27/45/557282745.db2.gz	OVVWNDSODUYOKU-UHFFFAOYSA-N	0	0	429.825	6.544	50	30		IKEARN
CCc1ccc(/N=C2\S/C(=C/c3ccc(OC)c(Br)c3)C(=O)N2C)cc1	ZINC000101513546	557293417	/nfs/dbraw/zinc/29/34/17/557293417.db2.gz	MKGALFJXTVPANF-FTIPTLOASA-N	0	0	431.355	5.254	50	30		IKEARN
CCCCCCCCCCCCCCCCCCN(C)C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000101507669	557293487	/nfs/dbraw/zinc/29/34/87/557293487.db2.gz	DPQZQCCRBBTKJP-UHFFFAOYSA-N	0	0	432.649	7.928	50	30		IKEARN
C(=N/c1ccccc1)\C1=C(c2ccccc2)S[C@H](c2ccccc2)C(Cc2ccccc2)=C1	ZINC000101670023	557294785	/nfs/dbraw/zinc/29/47/85/557294785.db2.gz	YNKQRWKIVXESQW-VZAHMOCCSA-N	0	0	443.615	8.457	50	30		IKEARN
CCCCCCCCCC(=O)N1c2ccccc2NC(=O)[C@@H]1CC(=O)Nc1ccc(C)cc1	ZINC000102078986	557298518	/nfs/dbraw/zinc/29/85/18/557298518.db2.gz	AYVPSHFJZDNOFB-DEOSSOPVSA-N	0	0	449.595	5.818	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O	ZINC000101855457	557300826	/nfs/dbraw/zinc/30/08/26/557300826.db2.gz	KAHOQLSJMYOJGP-STZFKDTASA-N	0	0	444.443	5.040	50	30		IKEARN
Cc1cc2c(cc1/C=N\c1sc3c(c1C(=O)NCc1ccccc1)CCCC3)OCO2	ZINC000102789253	557308402	/nfs/dbraw/zinc/30/84/02/557308402.db2.gz	FFCURMFIGBFHIR-VYYCAZPPSA-N	0	0	432.545	5.345	50	30		IKEARN
COc1ccccc1-n1c(=S)ss/c1=N\C(=N\c1ccccc1)c1ccccc1	ZINC000101973154	557309466	/nfs/dbraw/zinc/30/94/66/557309466.db2.gz	WZPNTZCQCFDFLM-PQBHCXAESA-N	0	0	435.599	6.018	50	30		IKEARN
C=CCn1c(=O)c2ccccc2nc1SCC(=O)N(c1ccccc1)c1ccccc1	ZINC000002840461	557311141	/nfs/dbraw/zinc/31/11/41/557311141.db2.gz	KFHWGXHBYJLNJS-UHFFFAOYSA-N	0	0	427.529	5.040	50	30		IKEARN
O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1	ZINC000002820071	557312494	/nfs/dbraw/zinc/31/24/94/557312494.db2.gz	ZIYNVZDYXRHSCO-UHFFFAOYSA-N	0	0	434.461	5.068	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1	ZINC000002849432	557313065	/nfs/dbraw/zinc/31/30/65/557313065.db2.gz	YTXHSGWEYYTSOK-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
COc1ccc(/N=C2\c3cccc4c3N(C2=O)C(C)(C)C[C@]4(C)c2ccc(Cl)cc2)cc1	ZINC000100117589	557314906	/nfs/dbraw/zinc/31/49/06/557314906.db2.gz	IUDYNTLFXDEGGH-MOKCZAGSSA-N	0	0	444.962	6.304	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1	ZINC000002861754	557315860	/nfs/dbraw/zinc/31/58/60/557315860.db2.gz	RJPBTZFJAQJMLE-MRXNPFEDSA-N	0	0	426.973	5.209	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C)c(F)c2)Nc2cc(C)ccc2C)c(C)n1	ZINC000032972877	557319749	/nfs/dbraw/zinc/31/97/49/557319749.db2.gz	YGTKJDUOILVOKE-UHFFFAOYSA-N	0	0	435.547	5.064	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cc(C)ccc2C)c1C	ZINC000032973233	557319792	/nfs/dbraw/zinc/31/97/92/557319792.db2.gz	SFFXZCFKVSPIBR-UHFFFAOYSA-N	0	0	445.611	5.194	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102401891	557320888	/nfs/dbraw/zinc/32/08/88/557320888.db2.gz	OGZLREXKACVGNC-SBXHHDGASA-N	0	0	445.946	6.398	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCc2ccccc2)cc1	ZINC000102401971	557320900	/nfs/dbraw/zinc/32/09/00/557320900.db2.gz	KSLNEJOAAJBDPU-ZCCPQQFYSA-N	0	0	425.528	5.474	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1Cl	ZINC000102401892	557321079	/nfs/dbraw/zinc/32/10/79/557321079.db2.gz	OGZLREXKACVGNC-NXLSWJSLSA-N	0	0	445.946	6.398	50	30		IKEARN
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OCC	ZINC000002860844	557323362	/nfs/dbraw/zinc/32/33/62/557323362.db2.gz	DWIADNCTRTYKSW-UHFFFAOYSA-N	0	0	447.373	5.619	50	30	aggregator	IKEARN
C=CCN1C(=O)/C(=C\c2ccccc2OC[C@@H](C)COc2ccccc2)SC1=S	ZINC000002847970	557325046	/nfs/dbraw/zinc/32/50/46/557325046.db2.gz	JQZSDQWCPXHKOE-JPOGYNCRSA-N	0	0	425.575	5.168	50	30		IKEARN
Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4Cl)NC3=O)o2)cc1Cl	ZINC000033347648	557333818	/nfs/dbraw/zinc/33/38/18/557333818.db2.gz	RMJKYYMMAZHFKE-YBFXNURJSA-N	0	0	429.328	6.453	50	30		IKEARN
CCC(=O)C1=C(NCCc2c(C)[nH]c3ccc(OC(F)(F)F)cc32)CC(C)(C)CC1=O	ZINC000100140103	557333913	/nfs/dbraw/zinc/33/39/13/557333913.db2.gz	GTPOHGYCKBLNLH-UHFFFAOYSA-N	0	0	436.474	5.129	50	30		IKEARN
Cc1ccc(Sc2nc(-c3ccccc3)[nH]c2C=Nc2cccc(C(F)(F)F)c2)cc1	ZINC000100143796	557334167	/nfs/dbraw/zinc/33/41/67/557334167.db2.gz	FWCZZUHFIYRBKN-RWPZCVJISA-N	0	0	437.490	7.306	50	30		IKEARN
COc1ccc(-c2nc(/N=C\c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000014406263	557337492	/nfs/dbraw/zinc/33/74/92/557337492.db2.gz	RSAOEYAJYLAAKS-OYKKKHCWSA-N	0	0	431.473	5.850	50	30		IKEARN
CCc1ccc(NC=CC(=O)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	ZINC000100161211	557338749	/nfs/dbraw/zinc/33/87/49/557338749.db2.gz	PGGMBRRMXMNRAX-OUKQBFOZSA-N	0	0	426.343	6.943	50	30		IKEARN
Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccc(Br)cc3)c(-c3ccccc3)c2c1	ZINC000033411225	557338755	/nfs/dbraw/zinc/33/87/55/557338755.db2.gz	VPOOTIZUKSQPMW-GXDHUFHOSA-N	0	0	444.328	6.162	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cccc(-c3cn4cc(C(F)(F)F)cc(Cl)c4n3)c2)cc1	ZINC000263639700	557340080	/nfs/dbraw/zinc/34/00/80/557340080.db2.gz	DYVQVXYESFCJEC-UHFFFAOYSA-N	0	0	440.812	5.797	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102535852	557345207	/nfs/dbraw/zinc/34/52/07/557345207.db2.gz	LHBNCNIDBBNVIY-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1	ZINC000102536710	557345743	/nfs/dbraw/zinc/34/57/43/557345743.db2.gz	MZSMBVNVHXRFAN-CVCLFZMUSA-N	0	0	439.939	5.064	50	30		IKEARN
Cc1ccc2sc(-c3ccc(/N=C/c4cc(C)cc(Br)c4O)cc3)nc2c1	ZINC000003113030	557347114	/nfs/dbraw/zinc/34/71/14/557347114.db2.gz	UVKBLMZBHLJRFO-WYMPLXKRSA-N	0	0	437.362	6.799	50	30		IKEARN
CCCCn1c(/N=C/c2ccccc2Cl)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176604	557347716	/nfs/dbraw/zinc/34/77/16/557347716.db2.gz	BMURNLAVBXYSJY-AJBULDERSA-N	0	0	437.974	7.898	50	30		IKEARN
CCCCn1c(/N=C/c2ccc(OC)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176688	557347755	/nfs/dbraw/zinc/34/77/55/557347755.db2.gz	MQGCWLKJWMTVCH-NJZRLIGZSA-N	0	0	433.555	7.253	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000102542088	557348450	/nfs/dbraw/zinc/34/84/50/557348450.db2.gz	PSLUQRXRSBXHTG-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
CC(C)(C)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2F)n(-c2ccc(C#N)cc2)n1	ZINC000023426887	557353759	/nfs/dbraw/zinc/35/37/59/557353759.db2.gz	LCLIOLWIPGYONJ-UHFFFAOYSA-N	0	0	430.405	5.452	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023428789	557354800	/nfs/dbraw/zinc/35/48/00/557354800.db2.gz	GQJFOHAWFTVEQG-QFIPXVFZSA-N	0	0	439.603	6.018	50	30		IKEARN
C=C(C)CN(CC)C(=O)c1ccc(-n2nc(C(=O)OCC)cc2-c2ccccc2C)cc1	ZINC000023428525	557354860	/nfs/dbraw/zinc/35/48/60/557354860.db2.gz	CLFFJRLRMBKLBF-UHFFFAOYSA-N	0	0	431.536	5.063	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H](C)C3)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023428784	557354873	/nfs/dbraw/zinc/35/48/73/557354873.db2.gz	GQJFOHAWFTVEQG-JOCHJYFZSA-N	0	0	439.603	6.018	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H]1SC2c3ccccc3C1c1ccccc12	ZINC000102579517	557355130	/nfs/dbraw/zinc/35/51/30/557355130.db2.gz	QJNFXQRNAOKHEU-YMAMQOFZSA-N	0	0	442.346	6.805	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000102586959	557356131	/nfs/dbraw/zinc/35/61/31/557356131.db2.gz	QCSDCGJXIZDHRH-HOGKFDNTSA-N	0	0	449.934	5.852	50	30		IKEARN
CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000023451821	557357345	/nfs/dbraw/zinc/35/73/45/557357345.db2.gz	OZCVHGHABQKEGM-SANMLTNESA-N	0	0	444.556	5.436	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102601615	557357801	/nfs/dbraw/zinc/35/78/01/557357801.db2.gz	PGFHTKZSXLUQRR-ZHHPLPSFSA-N	0	0	431.919	5.313	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1	ZINC000102624458	557359922	/nfs/dbraw/zinc/35/99/22/557359922.db2.gz	BYABYNRGWUNXIM-HOGKFDNTSA-N	0	0	431.875	5.169	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000102609744	557360664	/nfs/dbraw/zinc/36/06/64/557360664.db2.gz	CKNKAYBXZNYPSZ-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(Cl)cc4)CC3)c2c1	ZINC000044167603	557365213	/nfs/dbraw/zinc/36/52/13/557365213.db2.gz	GLVMUJAQJFWFBS-UHFFFAOYSA-N	0	0	434.927	5.014	50	30		IKEARN
CC/N=C1/S/C(=C/c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1CC	ZINC000100203510	557366582	/nfs/dbraw/zinc/36/65/82/557366582.db2.gz	JFBIQWUQAAUWBX-JKDHJYAGSA-N	0	0	428.863	5.931	50	30		IKEARN
CCN1c2ccccc2S/C1=C/C=C1\S/C(=N\c2cccc3ncccc23)N(C)C1=O	ZINC000100202143	557366594	/nfs/dbraw/zinc/36/65/94/557366594.db2.gz	MLYQSWJIORZOBV-QWLBQPIGSA-N	0	0	444.585	5.785	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccccc3)sc2c1	ZINC000102720578	557368728	/nfs/dbraw/zinc/36/87/28/557368728.db2.gz	CZGHKPKGYRKNFM-HOGKFDNTSA-N	0	0	440.524	5.485	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1	ZINC000102721274	557368855	/nfs/dbraw/zinc/36/88/55/557368855.db2.gz	DRSYIQCDSLXEDX-MRJHHRETSA-N	0	0	444.512	5.386	50	30		IKEARN
CCCCCCOc1ccc(/C=N/N=C2\NC(=O)[C@H](Cc3ccc(CC)cc3)S2)cc1	ZINC000011690583	557369860	/nfs/dbraw/zinc/36/98/60/557369860.db2.gz	HOBDPAANGFGAPM-HXTHCWADSA-N	0	0	437.609	5.372	50	30		IKEARN
CCCCCCCCOc1ccc([C@H]2SCC(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000102739128	557380241	/nfs/dbraw/zinc/38/02/41/557380241.db2.gz	GVESSIJGULWZFX-XMMPIXPASA-N	0	0	432.029	7.166	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccc(F)cc2)C1=O	ZINC000033925804	557385362	/nfs/dbraw/zinc/38/53/62/557385362.db2.gz	FMMOZPPXADXNAA-USMIYEOCSA-N	0	0	448.361	5.222	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3cccs3)sc2c1	ZINC000102804446	557386334	/nfs/dbraw/zinc/38/63/34/557386334.db2.gz	AJLACHGHSQMVBT-YDJIHCHBSA-N	0	0	446.553	5.547	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccc(C)cc3)sc2c1	ZINC000102804588	557386487	/nfs/dbraw/zinc/38/64/87/557386487.db2.gz	FLFRERCQPCCDRT-MRJHHRETSA-N	0	0	444.512	5.386	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccco3)sc2c1	ZINC000102805145	557386854	/nfs/dbraw/zinc/38/68/54/557386854.db2.gz	HGMBSJAACADSDG-YDJIHCHBSA-N	0	0	430.485	5.078	50	30		IKEARN
CCOc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Br)c2O)cc1	ZINC000100242772	557389334	/nfs/dbraw/zinc/38/93/34/557389334.db2.gz	OGGDUGLWAWCOEE-AFUMVMLFSA-N	0	0	444.756	6.548	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102799492	557389745	/nfs/dbraw/zinc/38/97/45/557389745.db2.gz	OHNABPLQJBPFML-MRJHHRETSA-N	0	0	448.544	5.292	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000102801311	557390924	/nfs/dbraw/zinc/39/09/24/557390924.db2.gz	MCFRKMOPESMPQG-HOGKFDNTSA-N	0	0	431.875	5.169	50	30		IKEARN
O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000102802893	557391251	/nfs/dbraw/zinc/39/12/51/557391251.db2.gz	LIPAXNJFABKUHE-GHNGSUTGSA-N	0	0	445.327	5.072	50	30		IKEARN
CN(C)C=NC(=O)[C@H](c1ccc(C(=O)c2ccccc2)cc1)c1ccc(Cl)cc1Cl	ZINC000100256129	557395980	/nfs/dbraw/zinc/39/59/80/557395980.db2.gz	HYVHLYUDGMAOET-TVYAFPLLSA-N	0	0	439.342	5.473	50	30		IKEARN
Cn1c2ccccc2c(/C=N/c2ccc(Cl)cc2)c1Oc1cccc(C(F)(F)F)c1	ZINC000100265814	557396945	/nfs/dbraw/zinc/39/69/45/557396945.db2.gz	ZOBPGPXJWNCDRF-CCVNUDIWSA-N	0	0	428.841	7.393	50	30		IKEARN
COc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000100298086	557398568	/nfs/dbraw/zinc/39/85/68/557398568.db2.gz	YNYOPHJNYDOHFX-HUOZHCEOSA-N	0	0	430.529	5.074	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@@H]2c1ccc(C#N)cc1	ZINC000102857498	557398789	/nfs/dbraw/zinc/39/87/89/557398789.db2.gz	NALGZXZFZNYTQS-HHHXNRCGSA-N	0	0	447.538	6.665	50	30		IKEARN
O=C(C=C1Nc2ccccc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	ZINC000100330993	557400143	/nfs/dbraw/zinc/40/01/43/557400143.db2.gz	BYFFOBTUCVRBOH-JZTLMNBPSA-N	0	0	435.310	6.364	50	30		IKEARN
COc1ccc(/N=C2\c3cc(C)ccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1	ZINC000100346770	557400474	/nfs/dbraw/zinc/40/04/74/557400474.db2.gz	GFMRIRCQPBRVQF-XTCLZLMSSA-N	0	0	425.315	5.978	50	30		IKEARN
Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000102860984	557401655	/nfs/dbraw/zinc/40/16/55/557401655.db2.gz	HJUJNWSQBWVYSQ-HOGKFDNTSA-N	0	0	440.524	5.539	50	30		IKEARN
O=C(C=CNc1ccc(I)cc1)c1cnc(-c2ccccc2)s1	ZINC000100419175	557402060	/nfs/dbraw/zinc/40/20/60/557402060.db2.gz	NXDDUILOTWHCFG-ZHACJKMWSA-N	0	0	432.286	5.223	50	30		IKEARN
COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cccc2C)cc1	ZINC000102861993	557402500	/nfs/dbraw/zinc/40/25/00/557402500.db2.gz	WPFSWIYUIWYJLL-FBQPMGKKSA-N	0	0	429.472	5.026	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000100439819	557403332	/nfs/dbraw/zinc/40/33/32/557403332.db2.gz	SRZSCRJSEZOMRE-NHFXJNLRSA-N	0	0	434.289	5.075	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2F)cc1	ZINC000102864337	557403716	/nfs/dbraw/zinc/40/37/16/557403716.db2.gz	ZUYXSMSVFBPRLK-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000102876755	557406513	/nfs/dbraw/zinc/40/65/13/557406513.db2.gz	TUTRMMMLFJNFFY-AYWGPLOBSA-N	0	0	426.516	5.001	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2	ZINC000102882306	557408452	/nfs/dbraw/zinc/40/84/52/557408452.db2.gz	RNPXVCHPKMMSBO-QRQCRPRQSA-N	0	0	427.887	6.469	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc(Cl)c2)sc1C	ZINC000102928312	557410488	/nfs/dbraw/zinc/41/04/88/557410488.db2.gz	AIPXHOOUQFXYBZ-WOOAAIBNSA-N	0	0	438.936	5.348	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102926895	557410544	/nfs/dbraw/zinc/41/05/44/557410544.db2.gz	RLAGPHLQUNLSAP-HFEWCJDKSA-N	0	0	440.524	5.539	50	30		IKEARN
O=C(C1=C(O)C(=O)N(Cc2ccco2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1	ZINC000102928762	557410860	/nfs/dbraw/zinc/41/08/60/557410860.db2.gz	CWFYZPLFQJOJOV-WOOAAIBNSA-N	0	0	428.271	5.208	50	30		IKEARN
CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257360752	557412714	/nfs/dbraw/zinc/41/27/14/557412714.db2.gz	DOMWKUIIPQCAJU-DATQYPTJSA-N	0	0	428.613	5.970	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N1CCS[C@H]1c1cc(OC)ccc1OC	ZINC000103000778	557415073	/nfs/dbraw/zinc/41/50/73/557415073.db2.gz	BLPSQMIHQCCWPL-VWLOTQADSA-N	0	0	435.674	6.979	50	30		IKEARN
CCCCCCCCCC(=O)N1CCC[C@@H]1C(=O)Nc1nnc(-c2ccccc2)s1	ZINC000102997942	557415084	/nfs/dbraw/zinc/41/50/84/557415084.db2.gz	PJGXVAWVRSRVFI-LJQANCHMSA-N	0	0	428.602	5.275	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)C[C@H]1CCCO1	ZINC000103000679	557415102	/nfs/dbraw/zinc/41/51/02/557415102.db2.gz	CSBDKMOBKAWYRC-JOCHJYFZSA-N	0	0	449.636	5.630	50	30		IKEARN
CCCCCCCCCC(=O)N(CC(=O)Nc1nc(-c2ccccc2)cs1)CC(C)C	ZINC000102997779	557415151	/nfs/dbraw/zinc/41/51/51/557415151.db2.gz	YHBBXKZNCDKMDP-UHFFFAOYSA-N	0	0	443.657	6.374	50	30		IKEARN
CCCCCCCCS(=O)(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1	ZINC000103013429	557415401	/nfs/dbraw/zinc/41/54/01/557415401.db2.gz	KFDSSMHTXZURHV-HSZRJFAPSA-N	0	0	440.609	6.322	50	30		IKEARN
CCCCCCCC(=O)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C1CC1	ZINC000102991162	557415774	/nfs/dbraw/zinc/41/57/74/557415774.db2.gz	UBTZOPDANHLIQO-UHFFFAOYSA-N	0	0	447.572	5.445	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O	ZINC000033618412	557422225	/nfs/dbraw/zinc/42/22/25/557422225.db2.gz	GDUBPGLBPMQIEE-UCQKPKSFSA-N	0	0	428.513	5.737	50	30		IKEARN
CCCCCCCCOCC12CO[C@H](c3ccc(F)cc3)N1[C@@H](c1ccc(F)cc1)OC2	ZINC000103678693	557440114	/nfs/dbraw/zinc/44/01/14/557440114.db2.gz	CVIAQUAIMWJTQD-JWQCQUIFSA-N	0	0	445.550	6.141	50	30		IKEARN
COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@H]1c1ccc(Br)cc1	ZINC000103971333	557446445	/nfs/dbraw/zinc/44/64/45/557446445.db2.gz	ZXOVSPPEKNYKJJ-MHDUUTITSA-N	0	0	439.353	5.274	50	30		IKEARN
COc1ccc2c(c1)CC[C@@H]1C2=NN(/C(C)=C\C(C)=O)[C@@H]1c1ccc(Br)cc1	ZINC000103971328	557446525	/nfs/dbraw/zinc/44/65/25/557446525.db2.gz	ZXOVSPPEKNYKJJ-WQWKFTHLSA-N	0	0	439.353	5.274	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C([O-])c3ccc(Cl)cc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000104101305	557450327	/nfs/dbraw/zinc/45/03/27/557450327.db2.gz	RMIMPNSDTLFUQX-MRJHHRETSA-N	0	0	437.854	5.114	50	30		IKEARN
C=CCNC(=O)[C@@H](C)Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1cccc(C)c1)CC2	ZINC000105022716	557473061	/nfs/dbraw/zinc/47/30/61/557473061.db2.gz	KDWPIOPOLORVBC-SKCUWOTOSA-N	0	0	440.587	5.212	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)cc1	ZINC000000580180	557475956	/nfs/dbraw/zinc/47/59/56/557475956.db2.gz	BMHURWSUBZKZTK-LJQANCHMSA-N	0	0	428.370	6.263	50	30		IKEARN
Clc1ccc(/C=C2\CCC/C(=C\c3ccc(Cl)cc3Cl)C23CO3)c(Cl)c1	ZINC000051330043	557497544	/nfs/dbraw/zinc/49/75/44/557497544.db2.gz	DMTMKPWKVSZUIE-BVXMOGEKSA-N	0	0	426.170	7.720	50	30		IKEARN
Cc1cc(C)cc(C#C/C=C\c2cc3c(-c4cc(C)cc(C)c4)cccc3c3ccccc23)c1	ZINC000214207383	557522913	/nfs/dbraw/zinc/52/29/13/557522913.db2.gz	MTEFTDGYUVZCHJ-WDZFZDKYSA-N	0	0	436.598	8.959	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(Br)cc2)cc1)c1cccc2ccccc21	ZINC000003166764	557531670	/nfs/dbraw/zinc/53/16/70/557531670.db2.gz	RKHKMGBHAZFGNB-WGOQTCKBSA-N	0	0	430.301	6.572	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)cc1	ZINC000044858795	557537953	/nfs/dbraw/zinc/53/79/53/557537953.db2.gz	VGYLRCWJVYHHDT-QHCPKHFHSA-N	0	0	426.520	5.102	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@@H]2c2ccccc2Cl)C1	ZINC000044858734	557537961	/nfs/dbraw/zinc/53/79/61/557537961.db2.gz	BGHYQLSWPWJYOO-JOCHJYFZSA-N	0	0	446.938	5.447	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccccc2Cl)C1	ZINC000044858731	557537981	/nfs/dbraw/zinc/53/79/81/557537981.db2.gz	BGHYQLSWPWJYOO-QFIPXVFZSA-N	0	0	446.938	5.447	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2c(C(=O)Nc3ccccc3)cnn21	ZINC000044858687	557538083	/nfs/dbraw/zinc/53/80/83/557538083.db2.gz	VBWCYYYQVWBYBQ-HSZRJFAPSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1	ZINC000044858814	557538087	/nfs/dbraw/zinc/53/80/87/557538087.db2.gz	MMRRFQVNMZCMQB-HSZRJFAPSA-N	0	0	426.520	5.102	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2c(C(=O)Nc3ccc(Cl)cc3)cnn21	ZINC000044858992	557538300	/nfs/dbraw/zinc/53/83/00/557538300.db2.gz	GBDIRQJVQJYWOC-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1	ZINC000044859015	557538332	/nfs/dbraw/zinc/53/83/32/557538332.db2.gz	BGSVWTIYZFRPOW-XMMPIXPASA-N	0	0	426.520	5.028	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccc(Cl)cc2)cc1	ZINC000044859250	557538529	/nfs/dbraw/zinc/53/85/29/557538529.db2.gz	NOCIDEHBIOFWPP-QFIPXVFZSA-N	0	0	432.911	5.119	50	30		IKEARN
CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000013362170	557538843	/nfs/dbraw/zinc/53/88/43/557538843.db2.gz	GGQIDQJAIYDGEX-BOCLCLQSSA-N	0	0	427.585	5.436	50	30	biogenic	IKEARN
CC[C@@H](C)c1ccc(NC(=NC(=O)c2cc(OC)cc(OC)c2)NCc2ccncc2)cc1	ZINC000045940306	557548820	/nfs/dbraw/zinc/54/88/20/557548820.db2.gz	YZGUTVVOQRALER-GOSISDBHSA-N	0	0	446.551	5.010	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(C)c(C)c2)cc1	ZINC000045940329	557548858	/nfs/dbraw/zinc/54/88/58/557548858.db2.gz	GYDXSLGWQHMPBK-UHFFFAOYSA-N	0	0	430.552	5.275	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2	ZINC000002978063	557686733	/nfs/dbraw/zinc/68/67/33/557686733.db2.gz	ZKKNTWLVCALTMT-HSZRJFAPSA-N	0	0	447.608	5.946	50	30		IKEARN
CCOc1ccc2nc(SCC(=O)Nc3ccc4sc(C)nc4c3)c(C#N)cc2c1	ZINC000000862108	557835834	/nfs/dbraw/zinc/83/58/34/557835834.db2.gz	MFNVZNHTMZWDDD-UHFFFAOYSA-N	0	0	434.546	5.154	50	30		IKEARN
N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1	ZINC000000865633	557839529	/nfs/dbraw/zinc/83/95/29/557839529.db2.gz	DBSYBNNTKIBHEC-HOTGVXAUSA-N	0	0	445.832	5.321	50	30		IKEARN
N#Cc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1	ZINC000000865635	557839542	/nfs/dbraw/zinc/83/95/42/557839542.db2.gz	DBSYBNNTKIBHEC-JKSUJKDBSA-N	0	0	445.832	5.321	50	30		IKEARN
N#Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1	ZINC000005800906	557849174	/nfs/dbraw/zinc/84/91/74/557849174.db2.gz	FVNUFSFLIJWVGT-RWEWTDSWSA-N	0	0	441.288	5.843	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000253501157	560038853	/nfs/dbraw/zinc/03/88/53/560038853.db2.gz	UOCUEIOMIAYZNI-JNNMJWCVSA-N	0	0	428.613	5.468	50	30	biogenic,in-vitro	IKEARN
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H]1OC1(C)C	ZINC000005195411	560201323	/nfs/dbraw/zinc/20/13/23/560201323.db2.gz	QYIMSPSDBYKPPY-DLBGYGIOSA-N	0	0	426.729	9.816	50	30	in-vitro	IKEARN
COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc32)c(C#N)c1C	ZINC000000669387	562918933	/nfs/dbraw/zinc/91/89/33/562918933.db2.gz	GLSVKWAKZYLJCD-UHFFFAOYSA-N	0	0	427.485	5.182	50	30		IKEARN
Cc1ccnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)n1	ZINC000000983552	562919885	/nfs/dbraw/zinc/91/98/85/562919885.db2.gz	KUMNMCKEKMGNPU-UHFFFAOYSA-N	0	0	426.501	5.315	50	30	aggregator	IKEARN
COc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@H]3c3cccnc3)C2)cc1	ZINC000001001502	562919971	/nfs/dbraw/zinc/91/99/71/562919971.db2.gz	VQEAGRYMZHFYAX-HRFSGMKKSA-N	0	0	439.515	5.011	50	30		IKEARN
C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1	ZINC000001079741	562920381	/nfs/dbraw/zinc/92/03/81/562920381.db2.gz	LETQRGJZQHUQTM-UHFFFAOYSA-N	0	0	426.545	5.676	50	30		IKEARN
N#Cc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc43)n2)cc1	ZINC000003375417	562935057	/nfs/dbraw/zinc/93/50/57/562935057.db2.gz	XVWXPKINFLUORP-UHFFFAOYSA-N	0	0	438.537	6.211	50	30		IKEARN
Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1	ZINC000003533897	562936430	/nfs/dbraw/zinc/93/64/30/562936430.db2.gz	WAECGTWOOYRXNL-UHFFFAOYSA-N	0	0	434.590	5.453	50	30	aggregator	IKEARN
C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003671902	562937584	/nfs/dbraw/zinc/93/75/84/562937584.db2.gz	NYARXXACJSSEKL-SBUREZEXSA-N	0	0	428.985	5.703	50	30		IKEARN
Brc1ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1	ZINC000004552025	562943356	/nfs/dbraw/zinc/94/33/56/562943356.db2.gz	IJYBZIUXKUAZCE-PCLIKHOPSA-N	0	0	429.321	6.019	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000006015221	562945892	/nfs/dbraw/zinc/94/58/92/562945892.db2.gz	JAWWFVQQVILJMR-VWLOTQADSA-N	0	0	431.535	6.291	50	30		IKEARN
O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc3ccccc32)cc1)c1cccc2ccccc21	ZINC000008426899	562949383	/nfs/dbraw/zinc/94/93/83/562949383.db2.gz	FRJUSNJBEHTICZ-FLFKKZLDSA-N	0	0	438.526	7.785	50	30		IKEARN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccccc3)n2)cc1	ZINC000008606776	562957125	/nfs/dbraw/zinc/95/71/25/562957125.db2.gz	DHLIXXMVTHHQKG-UHFFFAOYSA-N	0	0	427.451	5.678	50	30		IKEARN
CCCCOC(=O)c1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1	ZINC000008856949	562965256	/nfs/dbraw/zinc/96/52/56/562965256.db2.gz	OESZIVKODCNPPK-UHFFFAOYSA-N	0	0	427.500	5.829	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000009007936	562966565	/nfs/dbraw/zinc/96/65/65/562966565.db2.gz	FZEOTGVBCDNKDA-HXUWFJFHSA-N	0	0	430.485	5.289	50	30		IKEARN
O=C(OCC#CCSc1nnc(-c2cccc3ccccc32)o1)c1ccc(Cl)cc1	ZINC000009209574	562968185	/nfs/dbraw/zinc/96/81/85/562968185.db2.gz	ARXGQLDPZZWOCY-UHFFFAOYSA-N	0	0	434.904	5.496	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1	ZINC000009433197	562970850	/nfs/dbraw/zinc/97/08/50/562970850.db2.gz	YEBLZTWALSQZMT-XZOQPEGZSA-N	0	0	429.545	5.195	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(C#N)c2)[C@@H]1c1cccs1	ZINC000009433198	562970854	/nfs/dbraw/zinc/97/08/54/562970854.db2.gz	YEBLZTWALSQZMT-GOTSBHOMSA-N	0	0	429.545	5.195	50	30		IKEARN
Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1	ZINC000009720866	562976076	/nfs/dbraw/zinc/97/60/76/562976076.db2.gz	BZLMOUWVCAOJSG-MTJSOVHGSA-N	0	0	432.505	5.202	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000012870139	562983294	/nfs/dbraw/zinc/98/32/94/562983294.db2.gz	MQYXUWHLBZFQQO-HEQGEZKBSA-N	0	0	426.729	8.025	50	30	biogenic,in-vitro	IKEARN
C/C(=C\CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C)CC/C=C(\C)CC[C@@H]1OC1(C)C	ZINC000013509871	562991076	/nfs/dbraw/zinc/99/10/76/562991076.db2.gz	KABSNIWLJXCBGG-OQSIWNGOSA-N	0	0	442.728	9.027	50	30	in-vitro	IKEARN
Cc1cccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)c1	ZINC000013739576	563002956	/nfs/dbraw/zinc/00/29/56/563002956.db2.gz	RNPHZSIDLTYYAZ-NRFANRHFSA-N	0	0	433.558	6.054	50	30	aggregator	IKEARN
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c2c1O[C@H](c1ccc(O)cc1O)CC2=O	ZINC000014711629	563014921	/nfs/dbraw/zinc/01/49/21/563014921.db2.gz	LTTQKYMNTNISSZ-MWTRTKDXSA-N	0	0	438.520	5.610	50	30	biogenic,in-vivo	IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)NC2=O)cc1	ZINC000097967027	568615497	/nfs/dbraw/zinc/61/54/97/568615497.db2.gz	VZSYPWDRMWQWJW-XLNRJJMWSA-N	0	0	443.012	6.971	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccccc1Cl	ZINC000247754977	568617886	/nfs/dbraw/zinc/61/78/86/568617886.db2.gz	VUAKNUODZRBLQK-DNVJHFABSA-N	0	0	441.943	5.686	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C#N)c1-c1ccc(C)cc1	ZINC000025143275	568639804	/nfs/dbraw/zinc/63/98/04/568639804.db2.gz	LXVGPURCCSEBOD-UHFFFAOYSA-N	0	0	437.543	6.377	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccc(C#N)cc1)n2Cc1cccc(F)c1	ZINC000025142473	568639898	/nfs/dbraw/zinc/63/98/98/568639898.db2.gz	AWUYEWDSNFNYHM-UHFFFAOYSA-N	0	0	445.519	5.564	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2C)c1-c1ccc(C#N)cc1	ZINC000025142935	568640198	/nfs/dbraw/zinc/64/01/98/568640198.db2.gz	LIZIBMMDNJRBMY-UHFFFAOYSA-N	0	0	437.543	6.377	50	30		IKEARN
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(C)c(C)c1	ZINC000000939696	568640641	/nfs/dbraw/zinc/64/06/41/568640641.db2.gz	INXSGCDONIBKPE-UHFFFAOYSA-N	0	0	426.520	5.524	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccc(C#N)cc2)c1-c1ccc(C#N)cc1	ZINC000025146575	568641234	/nfs/dbraw/zinc/64/12/34/568641234.db2.gz	NOYFZQXWMBTZPN-UHFFFAOYSA-N	0	0	448.526	5.941	50	30		IKEARN
C=CCn1c(SCc2cccc(C)c2)nnc1-c1cc(-c2ccccc2)nc2ccccc21	ZINC000025161569	568646933	/nfs/dbraw/zinc/64/69/33/568646933.db2.gz	HIIQOUXAWPPVHP-UHFFFAOYSA-N	0	0	448.595	6.947	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc32)c1C#N	ZINC000000995660	568648236	/nfs/dbraw/zinc/64/82/36/568648236.db2.gz	WPTJWOGAVGZBRN-UHFFFAOYSA-N	0	0	427.529	5.967	50	30		IKEARN
CC1=CN2[C@H](c3ccccc31)C(C#N)(C#N)[C@H](c1cccc(F)c1)[C@H]2C(=O)c1ccccc1	ZINC000001022234	568653254	/nfs/dbraw/zinc/65/32/54/568653254.db2.gz	YKULJWZFIDEUIU-CMTIAEDTSA-N	0	0	433.486	5.626	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)CN(Cc3ccccc3)Cc3ccccc3)sc2C1	ZINC000001036512	568653721	/nfs/dbraw/zinc/65/37/21/568653721.db2.gz	QRNONDXEJHGLFS-LJQANCHMSA-N	0	0	429.589	5.385	50	30		IKEARN
N#Cc1c(OCC(=O)c2ccccc2)nc(-c2ccc([N+](=O)[O-])cc2)cc1-c1cccs1	ZINC000001035608	568653764	/nfs/dbraw/zinc/65/37/64/568653764.db2.gz	TYVKYMISJFYYLC-UHFFFAOYSA-N	0	0	441.468	5.519	50	30		IKEARN
CSc1c(C#N)c(-c2cccs2)nn1CNC(=O)Nc1ccccc1C(F)(F)F	ZINC000001037395	568653797	/nfs/dbraw/zinc/65/37/97/568653797.db2.gz	MYOMUPFKDPQJRB-UHFFFAOYSA-N	0	0	437.472	5.003	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(C(F)(F)F)cc(-c3cccs3)c2C#N)nc1	ZINC000001056214	568654054	/nfs/dbraw/zinc/65/40/54/568654054.db2.gz	RXJQMPCEWLEYON-UHFFFAOYSA-N	0	0	434.468	5.135	50	30		IKEARN
COc1ccc(-c2csc(NC(=O)c3c(C)onc3-c3ccccc3)c2C#N)cc1OC	ZINC000001056597	568654669	/nfs/dbraw/zinc/65/46/69/568654669.db2.gz	RVFPCJWZJRQRAJ-UHFFFAOYSA-N	0	0	445.500	5.520	50	30		IKEARN
Cc1ccc(-c2cc(C(=O)Nc3sccc3C#N)c3cc(Br)ccc3n2)cc1	ZINC000001073846	568654703	/nfs/dbraw/zinc/65/47/03/568654703.db2.gz	ZPDKASZRHSCFBV-UHFFFAOYSA-N	0	0	448.345	6.158	50	30		IKEARN
COc1cc(C(=O)Nc2sc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1	ZINC000001069853	568655488	/nfs/dbraw/zinc/65/54/88/568655488.db2.gz	DLBWWWZMDZWVOO-UHFFFAOYSA-N	0	0	426.925	5.730	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)c(=O)n(-c2ccccc2)n1C	ZINC000001061555	568655869	/nfs/dbraw/zinc/65/58/69/568655869.db2.gz	BNFMYPUFWPKDLP-AFUMVMLFSA-N	0	0	430.464	5.020	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3Cl)cc2s1)NC1CC1	ZINC000001065607	568655997	/nfs/dbraw/zinc/65/59/97/568655997.db2.gz	SNALJFXDKBFKCA-LSFURLLWSA-N	0	0	436.389	5.724	50	30		IKEARN
Cc1ccc(NC2=C(C(=O)c3ccco3)[C@H](c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000001076110	568656816	/nfs/dbraw/zinc/65/68/16/568656816.db2.gz	OBXAAWFCOTYJHK-SANMLTNESA-N	0	0	434.495	5.925	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000001080214	568657039	/nfs/dbraw/zinc/65/70/39/568657039.db2.gz	LUHXGQBPZJLMON-RBTNQOKQSA-N	0	0	446.550	6.592	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n32)cc1OC	ZINC000001080691	568657227	/nfs/dbraw/zinc/65/72/27/568657227.db2.gz	SQLADVRSVCXJAH-XMMPIXPASA-N	0	0	425.488	5.225	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000001097817	568658695	/nfs/dbraw/zinc/65/86/95/568658695.db2.gz	PHBSIRLDUCKWOM-DEOSSOPVSA-N	0	0	426.516	5.292	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc4c(Br)cccc34)sc2C1	ZINC000001127678	568659766	/nfs/dbraw/zinc/65/97/66/568659766.db2.gz	NFVHGMOUROWBMV-LBPRGKRZSA-N	0	0	425.351	5.913	50	30		IKEARN
O=C(C=Cc1ccccc1)C[C@]1(O)C(=O)N(Cc2cccc3ccccc32)c2ccccc21	ZINC000001149633	568662429	/nfs/dbraw/zinc/66/24/29/568662429.db2.gz	FQTBATMWPPXGOH-CPRQQSDPSA-N	0	0	433.507	5.247	50	30		IKEARN
O=C(Oc1ccccc1/C=C1\Sc2ccccc2C1=O)c1ccc(Br)o1	ZINC000001165312	568664635	/nfs/dbraw/zinc/66/46/35/568664635.db2.gz	DJLKLTPGRDBWDI-BOPFTXTBSA-N	0	0	427.275	5.591	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S	ZINC000001165806	568664684	/nfs/dbraw/zinc/66/46/84/568664684.db2.gz	DRGHAVSWFHPYRO-STZFKDTASA-N	0	0	431.586	5.543	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])c1	ZINC000001197983	568736725	/nfs/dbraw/zinc/73/67/25/568736725.db2.gz	HWDIOQVTFRUWJI-ZXYASIKESA-N	0	0	440.455	5.086	50	30		IKEARN
CC(C)Cc1ccc(S(=O)(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	ZINC000005944673	568739223	/nfs/dbraw/zinc/73/92/23/568739223.db2.gz	LXAPIBVDKDUBHI-WPWMEQJKSA-N	0	0	445.588	5.201	50	30		IKEARN
C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@H]1CCSc1nnc(-c2ccc(OC)cc2)o1	ZINC000005977490	568739680	/nfs/dbraw/zinc/73/96/80/568739680.db2.gz	YRGLKFYABDJLHS-BKSPAHHJSA-N	0	0	426.626	7.026	50	30		IKEARN
C#CCOc1nc(F)c(Cl)c2c1Oc1cc(Br)c(Br)cc1O2	ZINC000001902305	568742257	/nfs/dbraw/zinc/74/22/57/568742257.db2.gz	JWSBDNZFDDYDCE-UHFFFAOYSA-N	0	0	449.457	5.309	50	30		IKEARN
N#C[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)[C@@H](O)c1ccc(-c2ccccc2)cc1	ZINC000012526610	568742550	/nfs/dbraw/zinc/74/25/50/568742550.db2.gz	MQMNMFLOTFXECD-OZXSUGGESA-N	0	0	431.967	5.002	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C3c4ccccc4Oc4ccccc43)sc2C1	ZINC000002081835	568742570	/nfs/dbraw/zinc/74/25/70/568742570.db2.gz	HGVVCJMXERAYRS-INIZCTEOSA-N	0	0	442.584	6.647	50	30		IKEARN
COc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1	ZINC000003300701	568745504	/nfs/dbraw/zinc/74/55/04/568745504.db2.gz	SADHRQDADJZCDP-UHFFFAOYSA-N	0	0	437.503	5.468	50	30		IKEARN
C=CCN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000003433646	568749468	/nfs/dbraw/zinc/74/94/68/568749468.db2.gz	MDYPZPDZGSUGSY-UHFFFAOYSA-N	0	0	434.304	5.858	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003627461	568751823	/nfs/dbraw/zinc/75/18/23/568751823.db2.gz	KXNMAIAKSBGCKU-QKKBWIMNSA-N	0	0	435.014	5.765	50	30		IKEARN
CC(Nc1ccccc1)=C1C(=O)C=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1	ZINC000003620948	568751873	/nfs/dbraw/zinc/75/18/73/568751873.db2.gz	NXPSCNHCWFSEKP-WVWWYIFQSA-N	0	0	444.372	7.625	50	30		IKEARN
CCCSc1nnc(N2C(=O)C[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000003629011	568751929	/nfs/dbraw/zinc/75/19/29/568751929.db2.gz	QAGHSTAHQODNSJ-OAHLLOKOSA-N	0	0	445.585	5.343	50	30		IKEARN
CCCCCCCOC(=O)c1ccc(N2C(=O)c3ccc4c5c(ccc(c53)C2=O)CC4)cc1	ZINC000003659774	568752872	/nfs/dbraw/zinc/75/28/72/568752872.db2.gz	HGNPWTPPIXHBOA-UHFFFAOYSA-N	0	0	441.527	5.866	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2	ZINC000003664882	568753642	/nfs/dbraw/zinc/75/36/42/568753642.db2.gz	CWPKVJRKDYJFFN-MUDYCTQHSA-N	0	0	433.382	7.879	50	30		IKEARN
C=CCc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1	ZINC000003660974	568753892	/nfs/dbraw/zinc/75/38/92/568753892.db2.gz	HPLVLGURSHDTID-JVWAILMASA-N	0	0	434.377	7.124	50	30		IKEARN
Clc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)c(Cl)c1	ZINC000031854535	568758492	/nfs/dbraw/zinc/75/84/92/568758492.db2.gz	VQRATKFZUBQMEW-ZBKNUEDVSA-N	0	0	427.154	6.325	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000004027529	568758944	/nfs/dbraw/zinc/75/89/44/568758944.db2.gz	UOCUEIOMIAYZNI-CQYYKXISSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc4c3[C@H](CC(C)C)CC(=O)O4)C1=O)cn2C	ZINC000263584852	568758977	/nfs/dbraw/zinc/75/89/77/568758977.db2.gz	BOVLCVNHEUDVOJ-GRKWUUPQSA-N	0	0	431.488	5.242	50	30	biogenic	IKEARN
COc1ccccc1/C=C1\Oc2c(ccc3c2[C@H](c2ccc4ncccc4c2)CC(=O)O3)C1=O	ZINC000263586473	568759518	/nfs/dbraw/zinc/75/95/18/568759518.db2.gz	UTXXZOLHNGBYPU-CFKHXJFWSA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
Cc1ccc([C@H]2CC(=O)C3C(=Nc4ccccc4N(C(=O)C4CC4)[C@H]3c3cccnc3)C2)cc1	ZINC000004035916	568759704	/nfs/dbraw/zinc/75/97/04/568759704.db2.gz	CQFWKIXFDAHDJB-DFHRPNOPSA-N	0	0	449.554	5.701	50	30		IKEARN
COc1ccc(/C=C2\S/C(=N\c3ccc(OC)cc3)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000001235740	568762352	/nfs/dbraw/zinc/76/23/52/568762352.db2.gz	MEVSHNUCCHKUCQ-JTUXUYRKSA-N	0	0	446.528	5.521	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(F)cc1	ZINC000004105619	568775403	/nfs/dbraw/zinc/77/54/03/568775403.db2.gz	ZUGRIJCPIJANTG-NPGCFZLRSA-N	0	0	447.560	6.313	50	30		IKEARN
CN1c2ccccc2S/C1=C1\S/C(=N\Cc2ccccc2)N(c2ccc(F)cc2)C1=O	ZINC000004105639	568775449	/nfs/dbraw/zinc/77/54/49/568775449.db2.gz	RFEVNYPIKBENJP-NPGCFZLRSA-N	0	0	447.560	5.873	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(F)cc2)cc1	ZINC000004105624	568775466	/nfs/dbraw/zinc/77/54/66/568775466.db2.gz	FXWQUBPOHIDIGV-NPGCFZLRSA-N	0	0	447.560	6.313	50	30		IKEARN
COc1ccc(N=C(N2CCCCC2)[P@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1	ZINC000263621579	568778331	/nfs/dbraw/zinc/77/83/31/568778331.db2.gz	CVZBIJNKNBIRMM-WJOKGBTCSA-N	0	0	448.592	5.966	50	30		IKEARN
C=CCn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC(C)(C)SC3	ZINC000001295589	568778627	/nfs/dbraw/zinc/77/86/27/568778627.db2.gz	SMAMKPXYTTVUED-UHFFFAOYSA-N	0	0	444.647	5.513	50	30		IKEARN
COc1c(Br)cc(Br)cc1C=NN=c1[nH]c2ccccc2s1	ZINC000004133085	568781267	/nfs/dbraw/zinc/78/12/67/568781267.db2.gz	ANEHNMDAGHNGFH-QGMBQPNBSA-N	0	0	441.148	5.276	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3c[nH]c4ccccc34)[C@@H]2c2ccccc2)cc1	ZINC000001414684	568790271	/nfs/dbraw/zinc/79/02/71/568790271.db2.gz	CNOCCSRKDOGPAD-RUZDIDTESA-N	0	0	436.511	5.297	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N\c1ccccc1C	ZINC000001416212	568790503	/nfs/dbraw/zinc/79/05/03/568790503.db2.gz	ADNVSXDVQBDWNQ-YEUWRSSNSA-N	0	0	448.375	5.448	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2c(C)cc(C)cc2C)S/C1=N\c1cc(C)ccc1C	ZINC000001416228	568790588	/nfs/dbraw/zinc/79/05/88/568790588.db2.gz	NWBGBTNMXMVFRS-WTVYTQLBSA-N	0	0	435.593	5.375	50	30		IKEARN
CN(C)c1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000001421740	568793162	/nfs/dbraw/zinc/79/31/62/568793162.db2.gz	CKRGZYBCQPGMIS-NFQMXDRXSA-N	0	0	434.539	6.457	50	30		IKEARN
CC(=O)C1=C(C)N[C@H](c2ccc(Cl)cc2Cl)N[C@@H]1c1ccc(Cl)cc1Cl	ZINC000019202040	568793976	/nfs/dbraw/zinc/79/39/76/568793976.db2.gz	ILQVPHGLJPFAMX-MOPGFXCFSA-N	0	0	430.162	6.096	50	30		IKEARN
CN(C)N1C(=O)C[C@@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	ZINC000001429782	568794317	/nfs/dbraw/zinc/79/43/17/568794317.db2.gz	XMIISBOWIQSXLS-YJBOKZPZSA-N	0	0	429.347	5.187	50	30		IKEARN
CN(C)N1C(=O)C[C@H](c2ccc(Cl)cc2Cl)C2=C1C[C@H](c1ccccc1)CC2=O	ZINC000001429781	568794318	/nfs/dbraw/zinc/79/43/18/568794318.db2.gz	XMIISBOWIQSXLS-MAUKXSAKSA-N	0	0	429.347	5.187	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccccc1	ZINC000001429560	568794395	/nfs/dbraw/zinc/79/43/95/568794395.db2.gz	IHGYYADFBJAGFF-GOSISDBHSA-N	0	0	430.573	5.662	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001430893	568794586	/nfs/dbraw/zinc/79/45/86/568794586.db2.gz	YHTBTTRBHANPDE-SFHVURJKSA-N	0	0	432.545	5.035	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000001430962	568794656	/nfs/dbraw/zinc/79/46/56/568794656.db2.gz	LATHMBIBTZXTOU-OBDYRVMHSA-N	0	0	433.486	5.544	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCCC3)C(=O)C[C@H]2c1ccccc1	ZINC000001430165	568794717	/nfs/dbraw/zinc/79/47/17/568794717.db2.gz	TWQHCAPSVFNBOC-IBGZPJMESA-N	0	0	444.600	6.052	50	30		IKEARN
N#C[C@@H](C(=O)c1ccc(Oc2ccccc2Br)nc1)c1nc2ccccc2[nH]1	ZINC000084583261	568798970	/nfs/dbraw/zinc/79/89/70/568798970.db2.gz	NYBCDIGZGKTETQ-AWEZNQCLSA-N	0	0	433.265	5.003	50	30		IKEARN
C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)cc1	ZINC000084638138	568799373	/nfs/dbraw/zinc/79/93/73/568799373.db2.gz	BLTIHWGPYWAVMY-HXUWFJFHSA-N	0	0	431.458	5.380	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1cccc(Cl)c1	ZINC000100504626	568803590	/nfs/dbraw/zinc/80/35/90/568803590.db2.gz	ARUREGWTVFLOKD-IMVLJIQESA-N	0	0	445.975	6.541	50	30		IKEARN
COc1cccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(Cl)cc2)c1	ZINC000001439853	568804534	/nfs/dbraw/zinc/80/45/34/568804534.db2.gz	WZOYIUBDCZQEMK-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2	ZINC000008452650	568812911	/nfs/dbraw/zinc/81/29/11/568812911.db2.gz	VFNQPQLDBNDLTA-VAXXYWNWSA-N	0	0	448.636	6.666	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C(C)(C)C)C3	ZINC000008432067	568813158	/nfs/dbraw/zinc/81/31/58/568813158.db2.gz	JQHKDFZWAHJFST-HNNXBMFYSA-N	0	0	440.634	5.885	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000009307994	568818204	/nfs/dbraw/zinc/81/82/04/568818204.db2.gz	CAZJAXJYRUJWTK-UHFFFAOYSA-N	0	0	449.624	5.225	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cc2ccccc2o1	ZINC000009260882	568818234	/nfs/dbraw/zinc/81/82/34/568818234.db2.gz	UQUGPFBQPXCJMS-UHFFFAOYSA-N	0	0	434.521	5.007	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(OC)cc1	ZINC000009307687	568818424	/nfs/dbraw/zinc/81/84/24/568818424.db2.gz	ICJXFUSADYNFLR-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccc(OC)cc1	ZINC000009500127	568819006	/nfs/dbraw/zinc/81/90/06/568819006.db2.gz	GCLOHTQTTGDKKA-QGZVFWFLSA-N	0	0	436.581	5.384	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(C)o3)sc2c1	ZINC000001455683	568819166	/nfs/dbraw/zinc/81/91/66/568819166.db2.gz	FEHGALZIAVUEEC-OAQYLSRUSA-N	0	0	444.512	5.543	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccc(C)o3)sc2c1	ZINC000001455682	568819216	/nfs/dbraw/zinc/81/92/16/568819216.db2.gz	FEHGALZIAVUEEC-NRFANRHFSA-N	0	0	444.512	5.543	50	30		IKEARN
CC1=NN(c2ccccc2)C(=O)/C1=C1\OC(c2ccccc2)=C(C(=O)c2ccccc2)S1	ZINC000085428992	568820001	/nfs/dbraw/zinc/82/00/01/568820001.db2.gz	ZVUDDBULJVDKPH-YYADALCUSA-N	0	0	438.508	5.636	50	30		IKEARN
CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000006075289	568820647	/nfs/dbraw/zinc/82/06/47/568820647.db2.gz	RYHCNYOWNHBIFP-UHFFFAOYSA-N	0	0	431.517	5.801	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S	ZINC000013895859	568824230	/nfs/dbraw/zinc/82/42/30/568824230.db2.gz	CQZFZPYXZWRERE-KGENOOAVSA-N	0	0	425.575	5.360	50	30		IKEARN
C=CCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O	ZINC000013898574	568824257	/nfs/dbraw/zinc/82/42/57/568824257.db2.gz	KOFFAKITKZDDMI-HAHDFKILSA-N	0	0	431.513	5.650	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O	ZINC000013941741	568824525	/nfs/dbraw/zinc/82/45/25/568824525.db2.gz	KHDQWVJXNZMYPA-XDHOZWIPSA-N	0	0	442.334	5.006	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@@H]1c1ccc(C)cc1	ZINC000001481045	568824600	/nfs/dbraw/zinc/82/46/00/568824600.db2.gz	MAZMYUIRJFIAFD-NGOKVRLYSA-N	0	0	440.518	6.055	50	30		IKEARN
C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O	ZINC000013942405	568824735	/nfs/dbraw/zinc/82/47/35/568824735.db2.gz	FUCVNNBMKSFKFK-CPNJWEJPSA-N	0	0	442.518	5.110	50	30		IKEARN
C=CCN(Cc1ccc(Br)s1)Cc1nc2sc3c(c2c(N)n1)CCCC3	ZINC000014071334	568824749	/nfs/dbraw/zinc/82/47/49/568824749.db2.gz	PQLDUCXWNNVWHT-UHFFFAOYSA-N	0	0	449.443	5.165	50	30		IKEARN
C=CCOc1ccc(CN(C)[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)cc1	ZINC000014093188	568824814	/nfs/dbraw/zinc/82/48/14/568824814.db2.gz	TWJFKMXPIDEABY-SANMLTNESA-N	0	0	428.532	5.266	50	30		IKEARN
C=CCOc1ccc(Br)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C	ZINC000013914967	568824826	/nfs/dbraw/zinc/82/48/26/568824826.db2.gz	DODPBQFRKSZQEO-PDGQHHTCSA-N	0	0	431.717	5.473	50	30		IKEARN
C=CCn1c(SCC(=O)c2cccc3ccccc32)nnc1[C@H]1COc2ccccc2O1	ZINC000014141884	568824969	/nfs/dbraw/zinc/82/49/69/568824969.db2.gz	JZBFCHKJWBTICL-HSZRJFAPSA-N	0	0	443.528	5.105	50	30		IKEARN
C=CCCC(=O)N1CCOc2c(cc(-c3csc4ccccc34)cc2O[C@@H]2CCOC2)C1	ZINC000014966050	568827632	/nfs/dbraw/zinc/82/76/32/568827632.db2.gz	HNNODYHRTBGTRI-HXUWFJFHSA-N	0	0	449.572	5.423	50	30		IKEARN
O=C(C=CNc1ccccc1NS(=O)(=O)Cc1ccccc1)c1cccc2ccccc21	ZINC000006110641	568828528	/nfs/dbraw/zinc/82/85/28/568828528.db2.gz	ZEJGIGFNRJDNIW-ISLYRVAYSA-N	0	0	442.540	5.590	50	30		IKEARN
C=CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(F)cc4)N=C3C)o2)cc1	ZINC000016115955	568829227	/nfs/dbraw/zinc/82/92/27/568829227.db2.gz	KDKUDKHEJXMNLI-JCMHNJIXSA-N	0	0	430.435	5.235	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1OCC	ZINC000016689000	568829919	/nfs/dbraw/zinc/82/99/19/568829919.db2.gz	HPZHFLVPEDXEJI-ZHZULCJRSA-N	0	0	427.547	5.065	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1csc2c1CCCC2	ZINC000000644874	568832065	/nfs/dbraw/zinc/83/20/65/568832065.db2.gz	SFDMNEBVLLVUJG-UHFFFAOYSA-N	0	0	445.013	5.456	50	30		IKEARN
C=CCn1c2ccccc2n2c1nc(-c1ccc(OC)cc1)c2C(=S)Nc1ccccc1	ZINC000000854901	568832458	/nfs/dbraw/zinc/83/24/58/568832458.db2.gz	XJTBMISVABPISP-UHFFFAOYSA-N	0	0	438.556	5.938	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)SC1=S	ZINC000000975338	568832514	/nfs/dbraw/zinc/83/25/14/568832514.db2.gz	CUXIXMQHPVSDDF-XDHOZWIPSA-N	0	0	431.966	5.315	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc(OC)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3	ZINC000000985911	568832535	/nfs/dbraw/zinc/83/25/35/568832535.db2.gz	BDJRADCDPIEVTP-HNNXBMFYSA-N	0	0	426.607	5.460	50	30		IKEARN
C=C(C)Cn1c(SCc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CC[C@@H](C)C3	ZINC000000985908	568832610	/nfs/dbraw/zinc/83/26/10/568832610.db2.gz	KVVDLBFCGSPPLS-CQSZACIVSA-N	0	0	440.590	5.180	50	30		IKEARN
Cc1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)s1	ZINC000018084439	568832944	/nfs/dbraw/zinc/83/29/44/568832944.db2.gz	MTCXQSFIPHYFDJ-QFIPXVFZSA-N	0	0	435.593	5.311	50	30		IKEARN
C=CCN1C(=S)N=NC1c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N	ZINC000001033663	568832947	/nfs/dbraw/zinc/83/29/47/568832947.db2.gz	ACQLXFZADYYOAJ-UHFFFAOYSA-N	0	0	442.573	5.341	50	30		IKEARN
C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O	ZINC000001167034	568833061	/nfs/dbraw/zinc/83/30/61/568833061.db2.gz	ZFBOJNLGBOGCPG-WOJGMQOQSA-N	0	0	448.327	5.251	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(SC)c2)nnc1-c1ccc(Cl)cc1	ZINC000001118007	568833122	/nfs/dbraw/zinc/83/31/22/568833122.db2.gz	MWNJVILOCMXLBA-UHFFFAOYSA-N	0	0	430.986	5.237	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2ccccc2cc1O	ZINC000001160028	568833133	/nfs/dbraw/zinc/83/31/33/568833133.db2.gz	GLFMXWGDOFVUTH-UHFFFAOYSA-N	0	0	444.560	5.338	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl	ZINC000001148863	568833156	/nfs/dbraw/zinc/83/31/56/568833156.db2.gz	LODKRMBLTSNCEK-UHFFFAOYSA-N	0	0	443.956	6.113	50	30		IKEARN
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1	ZINC000001160535	568833239	/nfs/dbraw/zinc/83/32/39/568833239.db2.gz	VLSNUPWPFQCMSZ-UHFFFAOYSA-N	0	0	431.502	5.505	50	30		IKEARN
C=CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC	ZINC000001791342	568834087	/nfs/dbraw/zinc/83/40/87/568834087.db2.gz	ZLPXLILHGYTHOS-DEOSSOPVSA-N	0	0	441.556	5.856	50	30		IKEARN
C#CCOc1c(Cl)cc(C=C2SC(Nc3cc(C)cc(C)c3)=NC2=O)cc1OCC	ZINC000002176004	568834618	/nfs/dbraw/zinc/83/46/18/568834618.db2.gz	KODLHJUTWZDHFO-MOSHPQCFSA-N	0	0	440.952	5.450	50	30		IKEARN
C=CCSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccc(Cl)cc1Cl	ZINC000002181044	568834667	/nfs/dbraw/zinc/83/46/67/568834667.db2.gz	GGBTUGCPINYJSP-UHFFFAOYSA-N	0	0	445.396	6.699	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@H](C)CC)cc2)nnc1-c1ccccc1OC	ZINC000002200769	568834829	/nfs/dbraw/zinc/83/48/29/568834829.db2.gz	YNNYLZUSEGXQDF-QGZVFWFLSA-N	0	0	436.581	5.384	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1	ZINC000002203109	568834883	/nfs/dbraw/zinc/83/48/83/568834883.db2.gz	BUFNDFFDMNUHLT-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1	ZINC000002431100	568835810	/nfs/dbraw/zinc/83/58/10/568835810.db2.gz	HJYLFSRIFGEXAK-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(C)c1	ZINC000002452598	568835929	/nfs/dbraw/zinc/83/59/29/568835929.db2.gz	RGTYBJAMGZOYPJ-UHFFFAOYSA-N	0	0	426.973	5.441	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cccc(Cl)c1	ZINC000002454460	568835949	/nfs/dbraw/zinc/83/59/49/568835949.db2.gz	ZVZXBCAAEFDURB-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002452810	568835978	/nfs/dbraw/zinc/83/59/78/568835978.db2.gz	CGNAIAUXNHSTRB-UHFFFAOYSA-N	0	0	434.609	5.722	50	30		IKEARN
O=C1N/C(=N\c2ccc(Br)cc2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1	ZINC000001220856	568836591	/nfs/dbraw/zinc/83/65/91/568836591.db2.gz	MFFDKMQSIXVXRN-CQSZACIVSA-N	0	0	430.154	5.218	50	30		IKEARN
CC(C)(C)CC(C)(C)c1ccc(OCCOS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000001761762	568842030	/nfs/dbraw/zinc/84/20/30/568842030.db2.gz	JAILCIAACZEEST-UHFFFAOYSA-N	0	0	435.542	5.093	50	30		IKEARN
COc1ccc([N+](=O)[O-])cc1/N=C/c1ccc(/C=N/c2cc([N+](=O)[O-])ccc2OC)cc1	ZINC000002164912	568842233	/nfs/dbraw/zinc/84/22/33/568842233.db2.gz	KYTLMSUVQQERIA-RNIAWFEPSA-N	0	0	434.408	5.021	50	30		IKEARN
Brc1cccc(/N=C/c2ccc(/C=N/c3cccc(Br)c3)cc2)c1	ZINC000002170815	568842244	/nfs/dbraw/zinc/84/22/44/568842244.db2.gz	HTCRDSPMLZYKHL-RNIAWFEPSA-N	0	0	442.154	6.713	50	30		IKEARN
O=C(/C=C/c1ccc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000025693386	568842747	/nfs/dbraw/zinc/84/27/47/568842747.db2.gz	SXMAMABIMAQBRJ-PHEQNACWSA-N	0	0	428.400	5.295	50	30		IKEARN
COc1ccc(-c2ccc(C3C4=C(CC(C)(C)CC4=O)NC4=C3C(=O)CC(C)(C)C4)o2)cc1	ZINC000025694735	568842770	/nfs/dbraw/zinc/84/27/70/568842770.db2.gz	GRWCASRCDQYMNO-UHFFFAOYSA-N	0	0	445.559	5.928	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000100821518	568843410	/nfs/dbraw/zinc/84/34/10/568843410.db2.gz	DNYSZZKSMTVIKE-UHFFFAOYSA-N	0	0	442.622	6.102	50	30		IKEARN
C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1	ZINC000071786332	568843515	/nfs/dbraw/zinc/84/35/15/568843515.db2.gz	CQXWQXWSQQSTQB-PQSSVSIVSA-N	0	0	428.594	5.253	50	30		IKEARN
C=C[C@]1(C)C[C@H]([C@@]2(C)C3=C(CCC3=O)CC[C@@H]2C)O[C@@H](S(=O)(=O)c2ccccc2)C1	ZINC000071786333	568843517	/nfs/dbraw/zinc/84/35/17/568843517.db2.gz	CQXWQXWSQQSTQB-LQNAPZDISA-N	0	0	428.594	5.253	50	30		IKEARN
CCCCCCCCCCCCCCCCN(C)S(=O)(=O)c1ccc(NN)cc1	ZINC000101016831	568843543	/nfs/dbraw/zinc/84/35/43/568843543.db2.gz	JGQIXXYPXISIQT-UHFFFAOYSA-N	0	0	425.683	6.074	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000101016625	568843574	/nfs/dbraw/zinc/84/35/74/568843574.db2.gz	WRLACBJNDHQJRX-UHFFFAOYSA-N	0	0	441.634	6.858	50	30		IKEARN
CCCCCCCC/C=C/CCCCCCCCC(CC)(C(=O)OCC)C(=O)OCC	ZINC000102314618	568843675	/nfs/dbraw/zinc/84/36/75/568843675.db2.gz	UJXAEQUPRRGRMR-FOCLMDBBSA-N	0	0	438.693	7.937	50	30		IKEARN
CCCCCCCCCCCCCCCC[C@H](S)C(=O)Nc1ccc(Cl)cc1	ZINC000101017936	568843703	/nfs/dbraw/zinc/84/37/03/568843703.db2.gz	SGYOJHLVFNCXPP-QHCPKHFHSA-N	0	0	426.110	8.448	50	30		IKEARN
CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(NN)c(Cl)c1	ZINC000101017749	568843712	/nfs/dbraw/zinc/84/37/12/568843712.db2.gz	ZQWSSTSVUYICSB-UHFFFAOYSA-N	0	0	431.086	6.881	50	30		IKEARN
CCOC(=O)[C@@H](CC)Sc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N	ZINC000006134576	568844824	/nfs/dbraw/zinc/84/48/24/568844824.db2.gz	JJLIDQBSPIEYDR-XMMPIXPASA-N	0	0	446.572	6.120	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(F)c1	ZINC000006137170	568845216	/nfs/dbraw/zinc/84/52/16/568845216.db2.gz	VYESIIKCKJBLMG-HSZRJFAPSA-N	0	0	434.511	5.077	50	30		IKEARN
CC(C)(C)/N=C1\[C@@H](N2CCSCC2)C(C)(C)C(=S)N1c1cccc(C(F)(F)F)c1	ZINC000015861717	568848137	/nfs/dbraw/zinc/84/81/37/568848137.db2.gz	VYVNJZHNYZKNOM-GUTJXLKISA-N	0	0	443.604	5.493	50	30		IKEARN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@H]([NH+]3CCCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861781	568848150	/nfs/dbraw/zinc/84/81/50/568848150.db2.gz	SMXIDLKERQIBJL-YVAKIUAWSA-N	0	0	448.680	6.242	50	30		IKEARN
N#Cc1ccc(N2C(=S)C3(CCCCC3)[C@@H]([NH+]3CCCC3)/C2=N\C2CCCCC2)cc1	ZINC000015861764	568848200	/nfs/dbraw/zinc/84/82/00/568848200.db2.gz	HYJDMDBZIMBCOQ-OSQOMCJFSA-N	0	0	434.653	5.852	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)NC1CCCCCC1	ZINC000015867228	568850948	/nfs/dbraw/zinc/85/09/48/568850948.db2.gz	IEXMAOLARYSGDZ-AREMUKBSSA-N	0	0	449.620	5.567	50	30		IKEARN
C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2	ZINC000017100052	568851044	/nfs/dbraw/zinc/85/10/44/568851044.db2.gz	WZRFKWAYTCQKRC-UHFFFAOYSA-N	0	0	436.433	6.671	50	30		IKEARN
CCOC(=O)c1c(NC(=O)C#Cc2ccccc2)sc2c1CCCCCCCCCC2	ZINC000017101636	568851298	/nfs/dbraw/zinc/85/12/98/568851298.db2.gz	KFJOJQZVIATMTP-UHFFFAOYSA-N	0	0	437.605	6.134	50	30		IKEARN
CC1=C(C#Cc2ccccc2)c2ccccc2O[C@]1(NCc1ccccc1)c1ccccc1	ZINC000019534895	568854464	/nfs/dbraw/zinc/85/44/64/568854464.db2.gz	IHOKZJJHJWKVFD-HKBQPEDESA-N	0	0	427.547	6.547	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3ccc(Cl)cc3)c2c1	ZINC000015880444	568854645	/nfs/dbraw/zinc/85/46/45/568854645.db2.gz	WXUTVTXRDTXMIQ-UHFFFAOYSA-N	0	0	447.918	6.969	50	30		IKEARN
COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)C#Cc1ccccc1	ZINC000019638805	568854826	/nfs/dbraw/zinc/85/48/26/568854826.db2.gz	IWFKAMGOHJBITP-UHFFFAOYSA-N	0	0	443.568	6.240	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccc2c(c1)OCO2	ZINC000019647806	568854830	/nfs/dbraw/zinc/85/48/30/568854830.db2.gz	XEBVHXQNBRVIBL-UHFFFAOYSA-N	0	0	448.573	5.584	50	30		IKEARN
C=CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccc2c(c1)OCO2	ZINC000019647790	568854845	/nfs/dbraw/zinc/85/48/45/568854845.db2.gz	GGAJTNGEMJEYEH-UHFFFAOYSA-N	0	0	448.573	5.584	50	30		IKEARN
C=CCn1c(SCC(=O)NC2CCCCCC2)nnc1[C@@H](C)Oc1ccccc1Cl	ZINC000019648417	568854892	/nfs/dbraw/zinc/85/48/92/568854892.db2.gz	JPIXIAMXHWIBGF-MRXNPFEDSA-N	0	0	449.020	5.189	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1OCC	ZINC000019645416	568854969	/nfs/dbraw/zinc/85/49/69/568854969.db2.gz	PXIRWKZGOHHEMV-UHFFFAOYSA-N	0	0	446.935	5.053	50	30		IKEARN
Cc1ccc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3n2Cc2ccc(C#N)cc2)cc1	ZINC000015912064	568858742	/nfs/dbraw/zinc/85/87/42/568858742.db2.gz	NHUSKOBTZZRGRI-RUZDIDTESA-N	0	0	436.559	5.782	50	30		IKEARN
COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N	ZINC000015945144	568859268	/nfs/dbraw/zinc/85/92/68/568859268.db2.gz	AYNZBADDFOWZNC-UCQKPKSFSA-N	0	0	442.496	5.387	50	30		IKEARN
O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)CCC/C1=C\c1cc([N+](=O)[O-])ccc1Cl	ZINC000025692775	568862094	/nfs/dbraw/zinc/86/20/94/568862094.db2.gz	MWEWOCIGOBYNOF-QHKWOANTSA-N	0	0	433.247	6.030	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)CC)s/c1=N\c1ccc(Br)cc1	ZINC000027015972	568862823	/nfs/dbraw/zinc/86/28/23/568862823.db2.gz	WIRHSNSGLHTARS-LNVKXUELSA-N	0	0	442.382	5.746	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S	ZINC000027018217	568863037	/nfs/dbraw/zinc/86/30/37/568863037.db2.gz	ULGOPIMUDONJBH-QNGOZBTKSA-N	0	0	447.585	5.325	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cc(C)ccc2C)SC1=S	ZINC000033315759	568866442	/nfs/dbraw/zinc/86/64/42/568866442.db2.gz	DRGHAVSWFHPYRO-KGENOOAVSA-N	0	0	431.586	5.543	50	30		IKEARN
C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)c(C)c2)SC1=S	ZINC000033422561	568866459	/nfs/dbraw/zinc/86/64/59/568866459.db2.gz	QUSNHTFPYFAUBN-KGENOOAVSA-N	0	0	447.585	5.244	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccccc3C(F)(F)F)c(OC)c2)n1	ZINC000034712595	568867249	/nfs/dbraw/zinc/86/72/49/568867249.db2.gz	XZZJKGMOAUHDDF-UHFFFAOYSA-N	0	0	448.466	5.332	50	30		IKEARN
C=CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O	ZINC000035351796	568880510	/nfs/dbraw/zinc/88/05/10/568880510.db2.gz	QSMHDNDAYHFFEK-UNOMPAQXSA-N	0	0	447.915	5.679	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCC(=O)N1CCCCC1	ZINC000016399918	568887550	/nfs/dbraw/zinc/88/75/50/568887550.db2.gz	FBCVSGWZMNGIPU-UHFFFAOYSA-N	0	0	439.890	5.397	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCCC(=O)Nc1ccccc1O	ZINC000016400692	568887978	/nfs/dbraw/zinc/88/79/78/568887978.db2.gz	ZETQDHKYDWHHLR-UHFFFAOYSA-N	0	0	443.450	5.466	50	30		IKEARN
CN(c1ccccc1)c1ccc(/C=C/C(=O)c2cccc(Br)c2)cc1[N+](=O)[O-]	ZINC000015980345	568894074	/nfs/dbraw/zinc/89/40/74/568894074.db2.gz	KYCAUWPEFHRGQC-ACCUITESSA-N	0	0	437.293	6.021	50	30		IKEARN
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(OC)cc3OC)cc2[N+](=O)[O-])cc1	ZINC000015978903	568894136	/nfs/dbraw/zinc/89/41/36/568894136.db2.gz	KUBBNCXFWHQVPJ-UUILKARUSA-N	0	0	435.432	5.309	50	30		IKEARN
O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	ZINC000015979219	568894151	/nfs/dbraw/zinc/89/41/51/568894151.db2.gz	UPEHYTOWTMODBR-XLUWADSXSA-N	0	0	432.234	6.729	50	30		IKEARN
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccc(C(C)(C)C)cc3)cc2[N+](=O)[O-])cc1	ZINC000016035569	568894166	/nfs/dbraw/zinc/89/41/66/568894166.db2.gz	YDYMOCFTSGSEFB-PJQLUOCWSA-N	0	0	431.488	6.589	50	30		IKEARN
COc1cc(/C=C/C(=O)c2ccc(OC(F)F)cc2OC(F)F)ccc1OC(F)F	ZINC000015979222	568894194	/nfs/dbraw/zinc/89/41/94/568894194.db2.gz	XMJHMAUYYGJJRA-QHHAFSJGSA-N	0	0	436.304	5.396	50	30		IKEARN
CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(Oc3ccccc3)cc2)cc1	ZINC000015979651	568894197	/nfs/dbraw/zinc/89/41/97/568894197.db2.gz	DIZBDXWPJIBTTP-XDHOZWIPSA-N	0	0	435.545	5.406	50	30		IKEARN
C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)c1C#N	ZINC000006427643	568897588	/nfs/dbraw/zinc/89/75/88/568897588.db2.gz	NSMQBOKQDWPGQI-CYBMUJFWSA-N	0	0	437.462	5.271	50	30		IKEARN
CC(C)(C)c1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O	ZINC000001740225	568898076	/nfs/dbraw/zinc/89/80/76/568898076.db2.gz	XOPUESJIOIAWEL-WPWMEQJKSA-N	0	0	428.020	5.797	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3/c4ccccc4NC3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000001750623	568904694	/nfs/dbraw/zinc/90/46/94/568904694.db2.gz	IZYQENPJHGQEQI-LWTODMHQSA-N	0	0	425.513	5.434	50	30		IKEARN
COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1c(F)cccc1Cl	ZINC000001755795	568904853	/nfs/dbraw/zinc/90/48/53/568904853.db2.gz	KBOOIAOTRZIBMM-SFQUDFHCSA-N	0	0	437.854	5.411	50	30		IKEARN
N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1c(F)cccc1F	ZINC000006444494	568906897	/nfs/dbraw/zinc/90/68/97/568906897.db2.gz	PDFQRSXQJZGMQF-UHFFFAOYSA-N	0	0	439.531	5.430	50	30		IKEARN
COc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1OC	ZINC000001780536	568906932	/nfs/dbraw/zinc/90/69/32/568906932.db2.gz	VJIUMSSKWJMACP-PCLIKHOPSA-N	0	0	430.533	5.137	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(Cl)cc1	ZINC000001794181	568908189	/nfs/dbraw/zinc/90/81/89/568908189.db2.gz	PWXUTGAJAPLZBT-UHFFFAOYSA-N	0	0	444.943	5.915	50	30		IKEARN
CCCCCCCCCn1c2ccccc2nc1NCc1cc(Br)ccc1O	ZINC000001819977	568915671	/nfs/dbraw/zinc/91/56/71/568915671.db2.gz	HDHJZGKHWSQGMF-UHFFFAOYSA-N	0	0	444.417	6.867	50	30		IKEARN
Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1	ZINC000001882778	568917448	/nfs/dbraw/zinc/91/74/48/568917448.db2.gz	FLTACQQLRBRVJI-VULFUBBASA-N	0	0	443.300	6.867	50	30		IKEARN
CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Oc2ccccc2)cc1	ZINC000026841471	568917924	/nfs/dbraw/zinc/91/79/24/568917924.db2.gz	BOMAOFOTBQZVIL-XMMPIXPASA-N	0	0	443.499	5.394	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NC(C)c4ccc([N+](=O)[O-])cc4)c3c2C1	ZINC000006462304	568918553	/nfs/dbraw/zinc/91/85/53/568918553.db2.gz	UNCNVXBRFJEQID-IMVGLAPISA-N	0	0	437.569	5.977	50	30		IKEARN
C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CC)C3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006463058	568919477	/nfs/dbraw/zinc/91/94/77/568919477.db2.gz	KCOCLJMVEVDUEN-UHFFFAOYSA-N	0	0	431.576	5.404	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)c(Cl)c1	ZINC000006474355	568920025	/nfs/dbraw/zinc/92/00/25/568920025.db2.gz	RQPVNTINGDYDHN-UHFFFAOYSA-N	0	0	447.390	7.886	50	30		IKEARN
Oc1ccc2ccccc2c1CN=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1	ZINC000006473777	568920034	/nfs/dbraw/zinc/92/00/34/568920034.db2.gz	JFIAYZDAWAEUOS-WPWMEQJKSA-N	0	0	447.502	5.664	50	30		IKEARN
Cc1ccc2nc(-c3ccc(/N=C/C=C/c4cccc(Br)c4)cc3)sc2c1	ZINC000001922501	568923223	/nfs/dbraw/zinc/92/32/23/568923223.db2.gz	QKFFKRJETNUNJC-BZCVXYEQSA-N	0	0	433.374	7.450	50	30		IKEARN
CCc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1	ZINC000001922382	568923273	/nfs/dbraw/zinc/92/32/73/568923273.db2.gz	OUAPJIBRTUQZDN-OVMGZERMSA-N	0	0	431.333	7.235	50	30		IKEARN
Clc1ccc(-c2nc3cc(/N=C/C=C/c4cccc(Br)c4)ccc3o2)cc1	ZINC000001922476	568923290	/nfs/dbraw/zinc/92/32/90/568923290.db2.gz	ZPTKRPYBZLHYHB-FGZXAJGVSA-N	0	0	437.724	7.326	50	30		IKEARN
COc1ccc(/C=N/c2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)cc1OC	ZINC000001957004	568923760	/nfs/dbraw/zinc/92/37/60/568923760.db2.gz	ZNMHLWFKGIKJBA-OGLMXYFKSA-N	0	0	427.548	6.150	50	30		IKEARN
CCOC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C#N)c1C	ZINC000001965114	568923928	/nfs/dbraw/zinc/92/39/28/568923928.db2.gz	PIZZHSLVJBVPEG-UHFFFAOYSA-N	0	0	441.336	5.209	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc(Br)ccc1O	ZINC000002008222	568927608	/nfs/dbraw/zinc/92/76/08/568927608.db2.gz	PJXIQRBEKIUKFA-XMMPIXPASA-N	0	0	448.360	6.617	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@H]2c1cccnc1	ZINC000018121951	568929589	/nfs/dbraw/zinc/92/95/89/568929589.db2.gz	VRJMRNQSILBZHL-MHZLTWQESA-N	0	0	437.543	5.467	50	30	biogenic	IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCCC	ZINC000002028937	568934596	/nfs/dbraw/zinc/93/45/96/568934596.db2.gz	SFQJTSIUDXSYRW-XMMPIXPASA-N	0	0	439.596	5.813	50	30		IKEARN
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000027024029	568939274	/nfs/dbraw/zinc/93/92/74/568939274.db2.gz	AEANKSPMVRBIJY-NRFANRHFSA-N	0	0	447.512	5.016	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccsc2)n1	ZINC000004658207	568940201	/nfs/dbraw/zinc/94/02/01/568940201.db2.gz	MZPAAWHGHGFLMU-SBUREZEXSA-N	0	0	445.544	5.045	50	30		IKEARN
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCCOc1ccccc1	ZINC000002051506	568940354	/nfs/dbraw/zinc/94/03/54/568940354.db2.gz	GORWTVNFGXRIIH-UHFFFAOYSA-N	0	0	426.516	6.597	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(-c3ccccc3)c2C1	ZINC000002056356	568940505	/nfs/dbraw/zinc/94/05/05/568940505.db2.gz	MHNQMMPRWOGUCP-FQEVSTJZSA-N	0	0	447.047	7.717	50	30		IKEARN
Cc1cc(C)n(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)n1	ZINC000002056332	568940932	/nfs/dbraw/zinc/94/09/32/568940932.db2.gz	IAEVDUHNCMPABM-UHFFFAOYSA-N	0	0	436.587	5.656	50	30		IKEARN
CCCCCc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(C#N)cc3)cc2Cl)cc1	ZINC000002065132	568941063	/nfs/dbraw/zinc/94/10/63/568941063.db2.gz	KGGOYLQNXGIAOK-UHFFFAOYSA-N	0	0	447.918	6.383	50	30		IKEARN
N#Cc1c(NC(=O)COc2cccc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1	ZINC000002066404	568941140	/nfs/dbraw/zinc/94/11/40/568941140.db2.gz	IRLMUXSPTNFFCF-UHFFFAOYSA-N	0	0	444.490	6.656	50	30		IKEARN
Cc1ccc(C(=O)N[C@@H](Nc2sc3c(c2C#N)CCCC3)C(Cl)(Cl)Cl)cc1	ZINC000002067288	568941172	/nfs/dbraw/zinc/94/11/72/568941172.db2.gz	YNZGDDLQVZDYAZ-SFHVURJKSA-N	0	0	442.799	5.345	50	30		IKEARN
CCNC(=S)N/N=C/c1cc(Cl)ccc1OCCOc1ccc([C@H](C)CC)cc1	ZINC000006632037	568941956	/nfs/dbraw/zinc/94/19/56/568941956.db2.gz	UYPHKGGUTMMQFG-FYHAJLKWSA-N	0	0	434.005	5.129	50	30		IKEARN
CCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1	ZINC000006720432	568961717	/nfs/dbraw/zinc/96/17/17/568961717.db2.gz	ZGGNOOHKJBNGBI-HHHXNRCGSA-N	0	0	431.580	5.840	50	30		IKEARN
O=C(/C=C\c1cn(C[C@H](O)CN2CCc3ccccc32)c2ccccc12)c1cccs1	ZINC000169616037	568968766	/nfs/dbraw/zinc/96/87/66/568968766.db2.gz	LVUSTTLJPLEOCA-AXUYNXDZSA-N	0	0	428.557	5.023	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000169616278	568968798	/nfs/dbraw/zinc/96/87/98/568968798.db2.gz	SPICJYJHSFWNHN-DNVJHFABSA-N	0	0	441.943	5.686	50	30		IKEARN
CC(C)(C)c1csc([C@H]2CN(c3c(C#N)cnc4ccc(OC(F)F)cc43)CCO2)n1	ZINC000170621101	569147867	/nfs/dbraw/zinc/14/78/67/569147867.db2.gz	MOPCDSXILNKFAP-QGZVFWFLSA-N	0	0	444.507	5.040	50	30		IKEARN
CC(=O)Nc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1	ZINC000010059453	569152149	/nfs/dbraw/zinc/15/21/49/569152149.db2.gz	BCIJUYCKSFDHLO-UHFFFAOYSA-N	0	0	425.517	5.057	50	30		IKEARN
C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12	ZINC000004534359	569155458	/nfs/dbraw/zinc/15/54/58/569155458.db2.gz	FVWJYYTZTCVBKE-ABHPCVNUSA-N	0	0	442.728	6.997	50	30		IKEARN
COc1ccc(NC(=O)C(C)(C)Sc2nc(-c3ccccc3)ccc2C#N)cc1Cl	ZINC000013578799	569156045	/nfs/dbraw/zinc/15/60/45/569156045.db2.gz	FAHJKPKQWILIHA-UHFFFAOYSA-N	0	0	437.952	5.792	50	30		IKEARN
CC(C)CNC(=O)CN1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1	ZINC000014606051	569159582	/nfs/dbraw/zinc/15/95/82/569159582.db2.gz	FFFJCFKUYPGQSU-AREMUKBSSA-N	0	0	449.570	5.214	50	30		IKEARN
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2CC(=O)NCC(C)C)cc1	ZINC000014605462	569159604	/nfs/dbraw/zinc/15/96/04/569159604.db2.gz	HUKLXRAWXDWYDK-MHZLTWQESA-N	0	0	445.607	5.384	50	30		IKEARN
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(F)cc3)n2)cc1	ZINC000016729034	569160497	/nfs/dbraw/zinc/16/04/97/569160497.db2.gz	DSWRPZHBKWQWRU-UHFFFAOYSA-N	0	0	432.442	6.469	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)cc1	ZINC000016805399	569162144	/nfs/dbraw/zinc/16/21/44/569162144.db2.gz	OZVVKYCJAZLBRG-UHFFFAOYSA-N	0	0	439.289	7.238	50	30		IKEARN
N#Cc1ccc(NC(=O)C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1Cl	ZINC000014686146	569162180	/nfs/dbraw/zinc/16/21/80/569162180.db2.gz	MWJDAMXVLVJFKO-UHFFFAOYSA-N	0	0	443.256	5.134	50	30		IKEARN
Brc1ccc(C=Nc2ccc(N=Cc3ccc(Br)cc3)cc2)cc1	ZINC000254395946	569170043	/nfs/dbraw/zinc/17/00/43/569170043.db2.gz	ABIMDDIMIIGMLZ-UHFFFAOYSA-N	0	0	442.154	6.713	50	30		IKEARN
Cc1ccc(/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccc(OCC(C)C)cc2)cc1	ZINC000017040794	569171491	/nfs/dbraw/zinc/17/14/91/569171491.db2.gz	LXNUEWGSFQGOHC-OCEACIFDSA-N	0	0	436.577	5.069	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Nc3ccc(Cl)c(Cl)c3)sc2C1	ZINC000017100040	569173558	/nfs/dbraw/zinc/17/35/58/569173558.db2.gz	POKKOXYKBYYTQJ-GFCCVEGCSA-N	0	0	436.408	7.112	50	30		IKEARN
COc1cccc([C@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)c1O	ZINC000008916800	569174653	/nfs/dbraw/zinc/17/46/53/569174653.db2.gz	HEBKHGUEIXZJEZ-RUZDIDTESA-N	0	0	440.499	5.218	50	30		IKEARN
COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1cc(C)cc(C)c1	ZINC000008984751	569174737	/nfs/dbraw/zinc/17/47/37/569174737.db2.gz	UIXVBPAIQWXJRH-YZSQISJMSA-N	0	0	449.507	5.514	50	30		IKEARN
C=CCn1c(SCc2cc(C(C)=O)ccc2OCC)nnc1-c1cc2ccccc2o1	ZINC000001060431	569176626	/nfs/dbraw/zinc/17/66/26/569176626.db2.gz	PTJCTQSVYPCRGK-UHFFFAOYSA-N	0	0	433.533	5.771	50	30		IKEARN
O=C1c2ccccc2N[C@@H](c2cccc3cccnc32)N1N=Cc1cccc2cccnc12	ZINC000002098450	569179403	/nfs/dbraw/zinc/17/94/03/569179403.db2.gz	WPVWBYOJTFBRAC-AREMUKBSSA-N	0	0	429.483	5.384	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3OC)ccc2C1=O	ZINC000002104731	569180252	/nfs/dbraw/zinc/18/02/52/569180252.db2.gz	DYFAMJYCPFBQRT-ZHBGJKQSSA-N	0	0	428.440	5.095	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1	ZINC000002438011	569180758	/nfs/dbraw/zinc/18/07/58/569180758.db2.gz	HMTIQNNTOTXJFD-UHFFFAOYSA-N	0	0	446.532	5.034	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002544620	569180876	/nfs/dbraw/zinc/18/08/76/569180876.db2.gz	DKNDGGJFBXFFLE-UHFFFAOYSA-N	0	0	441.000	5.813	50	30		IKEARN
CCCCCCCN1c2ccccc2/C(=C2/SC(=S)N(CCCCC)C2=O)C1=O	ZINC000100833472	569181686	/nfs/dbraw/zinc/18/16/86/569181686.db2.gz	MUERCCAEQMPNJC-VXPUYCOJSA-N	0	0	430.639	5.765	50	30		IKEARN
Cc1sc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C#N)c1-c1ccc(F)cc1	ZINC000002115604	569181985	/nfs/dbraw/zinc/18/19/85/569181985.db2.gz	CTPVCYNYAQQFDL-UHFFFAOYSA-N	0	0	426.341	5.682	50	30		IKEARN
C=CCn1c(=O)c2ccc(Cl)cc2nc1SCc1nc2ccccc2n1C(F)F	ZINC000014901665	569183173	/nfs/dbraw/zinc/18/31/73/569183173.db2.gz	HDAIURVQBSTBQK-UHFFFAOYSA-N	0	0	432.883	5.273	50	30		IKEARN
COc1ccccc1-n1c(=S)ssc1=N/C(=N\c1ccccc1)c1ccccc1	ZINC000252429292	569183358	/nfs/dbraw/zinc/18/33/58/569183358.db2.gz	WZPNTZCQCFDFLM-DHBAMBCESA-N	0	0	435.599	6.018	50	30		IKEARN
Cc1ccc(N=Cc2ccc(OCc3ccccc3)cc2)cc1I	ZINC000252462487	569184804	/nfs/dbraw/zinc/18/48/04/569184804.db2.gz	SQECGMGRURQSPK-UHFFFAOYSA-N	0	0	427.285	5.929	50	30		IKEARN
Cc1c(Cc2ccccc2)sc(N=Cc2ccccc2OCc2ccccc2)c1C(N)=O	ZINC000252460124	569184454	/nfs/dbraw/zinc/18/44/54/569184454.db2.gz	BWDBEDALCGQOSI-UHFFFAOYSA-N	0	0	440.568	6.076	50	30		IKEARN
CCOc1ccc(NS(=O)(=O)c2ccc(N=Cc3c(O)ccc4ccccc43)cc2)cc1	ZINC000252460765	569184520	/nfs/dbraw/zinc/18/45/20/569184520.db2.gz	HZWPWNBDPDQBLB-UHFFFAOYSA-N	0	0	446.528	5.496	50	30		IKEARN
C=CCn1c(CNc2cccc(Cl)c2C)nnc1SCC(=O)Nc1cccc(C)c1	ZINC000002544626	569185870	/nfs/dbraw/zinc/18/58/70/569185870.db2.gz	VFTLFNZLMUSGEM-UHFFFAOYSA-N	0	0	441.988	5.077	50	30		IKEARN
C=CCn1c(CNc2c(C)cccc2C)nnc1SCC(=O)N(c1ccccc1)C(C)C	ZINC000002544632	569185874	/nfs/dbraw/zinc/18/58/74/569185874.db2.gz	UGSCJGLWSKIAAX-UHFFFAOYSA-N	0	0	449.624	5.227	50	30		IKEARN
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccccc3)cc2)cc1	ZINC000002553394	569185875	/nfs/dbraw/zinc/18/58/75/569185875.db2.gz	UJRHEXMDTACHBG-KOEQRZSOSA-N	0	0	433.533	5.015	50	30		IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C2=Cc4ccccc4O[C@H]2C)C3=O)c1	ZINC000002160994	569189048	/nfs/dbraw/zinc/18/90/48/569189048.db2.gz	BWWIYKOHPQCDQA-FTWDSPQQSA-N	0	0	440.451	5.238	50	30	biogenic	IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1ccc(Cl)cc1Cl)CCCC3	ZINC000002194021	569190729	/nfs/dbraw/zinc/19/07/29/569190729.db2.gz	BFLLQELHRUBNFY-UHFFFAOYSA-N	0	0	437.417	6.122	50	30		IKEARN
O=C(C=CC=Cc1ccccc1)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21	ZINC000252581652	569191153	/nfs/dbraw/zinc/19/11/53/569191153.db2.gz	IHJRFJPQJFYAPL-LKXNIVMFSA-N	0	0	443.930	5.303	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2ccc(CC)cc2)c2nc3ccccc3nc21	ZINC000002195586	569191332	/nfs/dbraw/zinc/19/13/32/569191332.db2.gz	XXSFVEQAWMJJBO-UHFFFAOYSA-N	0	0	429.568	5.419	50	30		IKEARN
CCOc1cccc(C=Nc2ccc3oc(-c4ccccc4Br)nc3c2)c1O	ZINC000252589375	569191734	/nfs/dbraw/zinc/19/17/34/569191734.db2.gz	AJWQMYBKWREWSE-UHFFFAOYSA-N	0	0	437.293	6.112	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccc(F)cc3Cl)ccc2C1=O	ZINC000002203220	569192609	/nfs/dbraw/zinc/19/26/09/569192609.db2.gz	HCJVAUWBSSUGAA-UADFMYQDSA-N	0	0	448.877	6.382	50	30		IKEARN
Cc1ccc2oc(-c3ccc(N=Cc4cccc(I)c4)cc3)nc2c1	ZINC000252592761	569192623	/nfs/dbraw/zinc/19/26/23/569192623.db2.gz	BGPZVNFGAVWQIN-UHFFFAOYSA-N	0	0	438.268	6.158	50	30		IKEARN
Cc1ccc(COc2ccc(C=Nc3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1	ZINC000252592747	569192718	/nfs/dbraw/zinc/19/27/18/569192718.db2.gz	BGNKGJNGCGBOOX-UHFFFAOYSA-N	0	0	443.550	7.177	50	30		IKEARN
CCOc1ccc(/C=C2\SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC	ZINC000252593813	569192785	/nfs/dbraw/zinc/19/27/85/569192785.db2.gz	BMJMLUVREAWAQT-SEXFUUHCSA-N	0	0	436.455	5.347	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Br)cc1	ZINC000252592774	569192798	/nfs/dbraw/zinc/19/27/98/569192798.db2.gz	BHAXSCXMDQIWTO-UHFFFAOYSA-N	0	0	441.181	6.716	50	30		IKEARN
O=C1/C(=C\c2cccc(Br)c2)SC(=Nc2ccccc2)N1Cc1ccccc1	ZINC000252594495	569193084	/nfs/dbraw/zinc/19/30/84/569193084.db2.gz	BSOCMNASONXDMO-PYYWQZPNSA-N	0	0	449.373	6.253	50	30		IKEARN
COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@@H]1c1ccccc1C	ZINC000252596056	569193151	/nfs/dbraw/zinc/19/31/51/569193151.db2.gz	CGGREFCLEAARCV-MHZLTWQESA-N	0	0	437.564	7.403	50	30		IKEARN
COC(=O)c1ccc(/C=C2\SC(=Nc3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	ZINC000252596800	569193244	/nfs/dbraw/zinc/19/32/44/569193244.db2.gz	CMLPCGAZLNCEMU-QQRHMWMMSA-N	0	0	442.540	5.899	50	30		IKEARN
CC(C)CN(CC(C)C)c1ccc(C=Nc2ccc3c(c2)oc2ccccc23)cc1[N+](=O)[O-]	ZINC000252596356	569193266	/nfs/dbraw/zinc/19/32/66/569193266.db2.gz	CIPGNGGJENZWCY-UHFFFAOYSA-N	0	0	443.547	7.363	50	30		IKEARN
Cc1cc2c(c(C)c1)NC(=O)/C2=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252597906	569193389	/nfs/dbraw/zinc/19/33/89/569193389.db2.gz	CWAFIWKLHMDAAM-ZOXZCZEASA-N	0	0	425.513	5.434	50	30		IKEARN
CC(=NOC(=O)C12CC3CC(CC(C3)C1)C2)C(C)=NOC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000252599389	569193489	/nfs/dbraw/zinc/19/34/89/569193489.db2.gz	DIGAZVHUSLZPCJ-UHFFFAOYSA-N	0	0	440.584	5.257	50	30		IKEARN
Clc1ccc2c(c1)[C@H](N1CCN(N=Cc3ccccc3)CC1)Cc1ccccc1S2	ZINC000252599692	569193511	/nfs/dbraw/zinc/19/35/11/569193511.db2.gz	DKCQAMZCNYTQPS-HSZRJFAPSA-N	0	0	434.008	5.740	50	30		IKEARN
Oc1ccccc1C=Nc1ccc(-n2cnc3cc(N=Cc4ccccc4O)ccc32)cc1	ZINC000252598744	569193518	/nfs/dbraw/zinc/19/35/18/569193518.db2.gz	DDAKLXHDRWUVLC-UHFFFAOYSA-N	0	0	432.483	5.938	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000002206476	569193519	/nfs/dbraw/zinc/19/35/19/569193519.db2.gz	PQVZICXKNNRIPL-UVQVWFEYSA-N	0	0	429.589	6.173	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=Nc1ccc(OC)cc1	ZINC000252603478	569194180	/nfs/dbraw/zinc/19/41/80/569194180.db2.gz	FSAKZRQTWREXPL-OUCYFQBSSA-N	0	0	447.354	5.177	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccccc4F)cc3)C(=O)N2C)cc1	ZINC000252607170	569194579	/nfs/dbraw/zinc/19/45/79/569194579.db2.gz	GYWBLQYMNLXOHM-YOIRLTMBSA-N	0	0	448.519	5.647	50	30		IKEARN
O=C(CSc1nc2ccc(N=Cc3cccc([N+](=O)[O-])c3)cc2s1)Nc1ccccc1	ZINC000252607832	569195247	/nfs/dbraw/zinc/19/52/47/569195247.db2.gz	HEYJXCVXRKZQCY-UHFFFAOYSA-N	0	0	448.529	5.686	50	30		IKEARN
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)SC1=Nc1ccc([N+](=O)[O-])cc1	ZINC000252609018	569195402	/nfs/dbraw/zinc/19/54/02/569195402.db2.gz	HPFLMCQXCXPFDO-GQOJFKQTSA-N	0	0	438.534	5.145	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C\c2sccc2C)C(=O)N1c1ccccc1CC	ZINC000252611296	569197264	/nfs/dbraw/zinc/19/72/64/569197264.db2.gz	IISNDDMLSLRENI-ZYITZIQLSA-N	0	0	432.614	6.990	50	30		IKEARN
CCC/N=C1\SC(=NN=Cc2ccccc2O)N(c2ccc(F)cc2)\C1=N/CCC	ZINC000252611531	569197265	/nfs/dbraw/zinc/19/72/65/569197265.db2.gz	IKJDNYYQMRVVCM-PVAZKZOHSA-N	0	0	425.533	5.092	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3cc(C)n(C)c3C)C(=O)N2C2CCCCC2)cc1	ZINC000252612919	569197402	/nfs/dbraw/zinc/19/74/02/569197402.db2.gz	IXCUEUGQJZAPJT-ZYITZIQLSA-N	0	0	437.609	5.977	50	30		IKEARN
CCOC(=O)c1ccc(N2C(SC)=NC(=Nc3cccc(C)c3)C23CCCCC3)cc1	ZINC000252613493	569197467	/nfs/dbraw/zinc/19/74/67/569197467.db2.gz	JCJOSZXCNPTOFQ-UHFFFAOYSA-N	0	0	435.593	6.144	50	30		IKEARN
CN(C)c1ccc(N=Cc2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1	ZINC000252616179	569197598	/nfs/dbraw/zinc/19/75/98/569197598.db2.gz	JYLJVECKHGUUMG-UHFFFAOYSA-N	0	0	445.906	6.031	50	30		IKEARN
[O-]c1c(Cl)cc(Cl)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000252619411	569198146	/nfs/dbraw/zinc/19/81/46/569198146.db2.gz	LOSZFWOHDLPJAT-UHFFFAOYSA-N	0	0	436.302	5.664	50	30		IKEARN
CCOc1ccccc1NC(=O)CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252618610	569198157	/nfs/dbraw/zinc/19/81/57/569198157.db2.gz	LIPNXQLBCIZNOH-QFIPXVFZSA-N	0	0	445.544	5.250	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1	ZINC000252619875	569198730	/nfs/dbraw/zinc/19/87/30/569198730.db2.gz	LTLKXHYORSIHQV-UYJNXHFOSA-N	0	0	442.584	6.506	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=Nc3ccc(OCC)cc3)N(CC)C2=O)cc1Cl	ZINC000252620338	569199337	/nfs/dbraw/zinc/19/93/37/569199337.db2.gz	MCCPLJFOMYLEGK-PYYWQZPNSA-N	0	0	442.968	5.927	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000252620822	569201420	/nfs/dbraw/zinc/20/14/20/569201420.db2.gz	MMQCPIFJAXNHKY-APZKEAJMSA-N	0	0	428.557	6.434	50	30		IKEARN
CCCN1C(=O)[C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)SC1=Nc1ccccc1	ZINC000252620948	569201562	/nfs/dbraw/zinc/20/15/62/569201562.db2.gz	MPSBIFDWHDQVCH-KRWDZBQOSA-N	0	0	435.471	5.076	50	30		IKEARN
COc1ccc(C=NN=C2SC(=N\C(C)(C)C)/C(=N\C(C)(C)C)N2c2ccccc2)cc1	ZINC000252621729	569201732	/nfs/dbraw/zinc/20/17/32/569201732.db2.gz	NFRLCTNVQZPKGY-AAPDBKPUSA-N	0	0	449.624	6.033	50	30		IKEARN
Cc1ccc(C=Nc2ccc(-c3ccc(N=Cc4ccc(C)s4)c(C)c3)cc2C)s1	ZINC000252622007	569201748	/nfs/dbraw/zinc/20/17/48/569201748.db2.gz	NMLKIBAQXDTWCF-UHFFFAOYSA-N	0	0	428.626	8.211	50	30		IKEARN
CCc1ccc(/C=C2/SC(=Nc3cccc(C)c3C)N(c3cccc(C)c3C)C2=O)cc1	ZINC000252621895	569201769	/nfs/dbraw/zinc/20/17/69/569201769.db2.gz	NJKRWTLERJDADA-YTYDTYSUSA-N	0	0	440.612	7.291	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=Nc1ccc(C(=O)OC)cc1	ZINC000252622737	569201846	/nfs/dbraw/zinc/20/18/46/569201846.db2.gz	OBPBUAWGQFZUQD-HJTUMBPSSA-N	0	0	435.332	5.404	50	30		IKEARN
Cc1cc2nc(-c3ccc(C)c(N=Cc4cc5c(cc4[N+](=O)[O-])OCO5)c3)oc2c(C)c1	ZINC000252623075	569201847	/nfs/dbraw/zinc/20/18/47/569201847.db2.gz	OJNACHLJDKKELK-UHFFFAOYSA-N	0	0	429.432	5.808	50	30		IKEARN
CCCOc1ccccc1/C=C1/SC(=Nc2ccccc2C)N(c2ccccc2C)C1=O	ZINC000252623333	569202071	/nfs/dbraw/zinc/20/20/71/569202071.db2.gz	OOPHUGDEBSWVEU-OFGWUVNBSA-N	0	0	442.584	6.901	50	30		IKEARN
O=C(CSc1nc2ccc(N=Cc3ccc(Cl)cc3)cc2s1)Nc1ccccc1	ZINC000252623412	569202180	/nfs/dbraw/zinc/20/21/80/569202180.db2.gz	OQOUYXAYSNZCTE-UHFFFAOYSA-N	0	0	437.977	6.431	50	30		IKEARN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=Nc3ccccc3)N(C)C2=O)o1	ZINC000252623720	569202185	/nfs/dbraw/zinc/20/21/85/569202185.db2.gz	OXUQISYJXBUFNT-FTEWTSQZSA-N	0	0	435.461	5.097	50	30		IKEARN
Brc1cccc(-c2nc3cc(N=C/C=C\c4ccc5c(c4)OCO5)ccc3o2)c1	ZINC000252624253	569202673	/nfs/dbraw/zinc/20/26/73/569202673.db2.gz	PKDUHMHSMTVTIK-TVXPHXSHSA-N	0	0	447.288	6.402	50	30		IKEARN
Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C(=Nc3ccccc3)S2)c(C)c1	ZINC000252624473	569202818	/nfs/dbraw/zinc/20/28/18/569202818.db2.gz	POLQYPVNZHMTEU-HSZRJFAPSA-N	0	0	443.572	5.464	50	30		IKEARN
CC(=O)c1ccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)cc1	ZINC000252624707	569202858	/nfs/dbraw/zinc/20/28/58/569202858.db2.gz	PTIWGBQPYJNAKU-HDSIZHJASA-N	0	0	448.316	6.021	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/C=C\c3ccccc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252624530	569202894	/nfs/dbraw/zinc/20/28/94/569202894.db2.gz	PPVNLTXZAAHASO-NMIJIDOLSA-N	0	0	438.596	7.176	50	30		IKEARN
Cc1cc(C)n(-c2nc(N=NCc3cccc4ccccc43)nc(Nc3ccc(C)cc3)n2)n1	ZINC000252624985	569203085	/nfs/dbraw/zinc/20/30/85/569203085.db2.gz	QACFRHGFIFVHBI-UHFFFAOYSA-N	0	0	448.534	5.325	50	30		IKEARN
COc1cc(C)c(/C=C2/SC(=Nc3ccccc3)N(C3CCCC3)C2=O)cc1C(C)C	ZINC000252625155	569203086	/nfs/dbraw/zinc/20/30/86/569203086.db2.gz	QEKANXFTDOFSFP-GUGSDYAWSA-N	0	0	434.605	6.674	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC	ZINC000252625526	569203155	/nfs/dbraw/zinc/20/31/55/569203155.db2.gz	QLXKSMIXXCMNAE-UFDKDONYSA-N	0	0	442.968	5.764	50	30		IKEARN
Oc1ccccc1-c1cc(-c2ccccc2)nc(N=NCc2c(O)ccc3ccccc32)n1	ZINC000252625523	569203156	/nfs/dbraw/zinc/20/31/56/569203156.db2.gz	QLWCNNXOOXKHMZ-UHFFFAOYSA-N	0	0	432.483	5.821	50	30		IKEARN
CCCN1C(=O)/C(=C\c2ccc(Br)o2)SC1=Nc1ccc(OCC)cc1	ZINC000252625502	569203172	/nfs/dbraw/zinc/20/31/72/569203172.db2.gz	QLLQUGNDJAOTRH-LPPQLWTJSA-N	0	0	435.343	5.455	50	30		IKEARN
COc1ccc(-c2nc3cc(N=Cc4c(O)ccc5ccccc54)ccc3o2)cc1[N+](=O)[O-]	ZINC000252626131	569203187	/nfs/dbraw/zinc/20/31/87/569203187.db2.gz	QXFFHUFYZNMJGP-UHFFFAOYSA-N	0	0	439.427	6.021	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1OC	ZINC000252625525	569203204	/nfs/dbraw/zinc/20/32/04/569203204.db2.gz	QLXKSMIXXCMNAE-QUXILYDTSA-N	0	0	442.968	5.764	50	30		IKEARN
Oc1ccc2ccccc2c1C=Nc1ccc2oc(-c3ccccc3Br)nc2c1	ZINC000252626213	569203238	/nfs/dbraw/zinc/20/32/38/569203238.db2.gz	QYLNPPAWMSGDOW-UHFFFAOYSA-N	0	0	443.300	6.867	50	30		IKEARN
COc1ccc(C(C)=NN=c2scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1	ZINC000252626558	569203394	/nfs/dbraw/zinc/20/33/94/569203394.db2.gz	RBDSDDFEIBTPGD-UHFFFAOYSA-N	0	0	429.545	5.548	50	30		IKEARN
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3F)c2C)SC1=Nc1ccc(OC)cc1	ZINC000252626823	569203440	/nfs/dbraw/zinc/20/34/40/569203440.db2.gz	RGESGHJANGBKBU-YOIRLTMBSA-N	0	0	449.551	5.866	50	30		IKEARN
Oc1cc(N=Cc2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1-c1nc2ccccc2o1	ZINC000252627419	569203508	/nfs/dbraw/zinc/20/35/08/569203508.db2.gz	RTQQEIPIDOGWMS-UHFFFAOYSA-N	0	0	449.293	7.518	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c(OC)c1	ZINC000252627482	569203517	/nfs/dbraw/zinc/20/35/17/569203517.db2.gz	RVGPTYYAVVIMHX-APZKEAJMSA-N	0	0	444.556	6.129	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)o2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252627217	569203533	/nfs/dbraw/zinc/20/35/33/569203533.db2.gz	RPATUCQHNBLEPW-GGYXWTDNSA-N	0	0	425.307	5.851	50	30	aggregator	IKEARN
CCc1ccc(N=C2S/C(=C/c3ccc(OC)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252627380	569203549	/nfs/dbraw/zinc/20/35/49/569203549.db2.gz	RTCHOQLYFPLBED-OFGWUVNBSA-N	0	0	442.584	6.629	50	30		IKEARN
Oc1ccc(Br)cc1CN=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000252628152	569203615	/nfs/dbraw/zinc/20/36/15/569203615.db2.gz	SJJRXZMXRBDOLO-UHFFFAOYSA-N	0	0	446.308	5.120	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc21	ZINC000252628105	569203631	/nfs/dbraw/zinc/20/36/31/569203631.db2.gz	SIDJDATZBYQNHC-JOCHJYFZSA-N	0	0	431.561	5.437	50	30		IKEARN
COc1ccc(C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1Cl	ZINC000252628235	569203656	/nfs/dbraw/zinc/20/36/56/569203656.db2.gz	SLJYSRMPFGEODL-UHFFFAOYSA-N	0	0	441.712	6.670	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O	ZINC000252628825	569203744	/nfs/dbraw/zinc/20/37/44/569203744.db2.gz	SYSLHZGKUNLUIS-BRLVIBBESA-N	0	0	442.968	5.522	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccccc2CC)N(CC)C1=O	ZINC000252629248	569203763	/nfs/dbraw/zinc/20/37/63/569203763.db2.gz	UCDIRXNTFIAGTA-SBEYKLCGSA-N	0	0	444.600	6.815	50	30		IKEARN
c1ccc(N=C2S/C(=N/C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1	ZINC000252629049	569203796	/nfs/dbraw/zinc/20/37/96/569203796.db2.gz	TXPDBMSODBCQAQ-FSLDJLOBSA-N	0	0	444.648	7.517	50	30		IKEARN
O=C1/C(=C/c2cccc(Cl)c2Cl)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252629615	569203875	/nfs/dbraw/zinc/20/38/75/569203875.db2.gz	UKBNRNSJEYFUED-ZQFCNSAKSA-N	0	0	425.340	6.802	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3cccc(O)c3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252629577	569203916	/nfs/dbraw/zinc/20/39/16/569203916.db2.gz	UJJWFTAXTQKUBM-DNKROPNVSA-N	0	0	428.557	6.326	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)SC1=Nc1cc(Cl)ccc1C	ZINC000252629366	569203965	/nfs/dbraw/zinc/20/39/65/569203965.db2.gz	UELOCFQDPDIFTQ-LJQANCHMSA-N	0	0	427.957	5.103	50	30		IKEARN
CCN1C(=O)/C(=C/c2cc(Br)c(OC)cc2OC)SC1=Nc1ccccc1	ZINC000252630505	569204027	/nfs/dbraw/zinc/20/40/27/569204027.db2.gz	VAZLWADNTQRQKV-WYWZIVHKSA-N	0	0	447.354	5.090	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=Nc1cccc2ccccc21	ZINC000252630222	569204047	/nfs/dbraw/zinc/20/40/47/569204047.db2.gz	UXJFJMSIQZUTRE-SEYIQKDNSA-N	0	0	447.585	5.842	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1	ZINC000252630665	569204085	/nfs/dbraw/zinc/20/40/85/569204085.db2.gz	VCUUGNMDCWTESF-YOIRLTMBSA-N	0	0	448.519	5.647	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C	ZINC000252630136	569204115	/nfs/dbraw/zinc/20/41/15/569204115.db2.gz	UVGSRIKXBAAQKN-SFHVURJKSA-N	0	0	429.973	5.245	50	30		IKEARN
COc1ccc(C=NOC(=O)Cc2ccc(Cl)cc2)cc1COc1ccc(F)cc1	ZINC000252630887	569204492	/nfs/dbraw/zinc/20/44/92/569204492.db2.gz	VFOVBPHKDBAUBH-UHFFFAOYSA-N	0	0	427.859	5.187	50	30		IKEARN
C=CCSc1nc(-c2ccc(OCCCC)cc2)nc2sc3c(c21)CC(C)(C)OC3	ZINC000002224782	569204851	/nfs/dbraw/zinc/20/48/51/569204851.db2.gz	RSLZHEBCCUCJIK-UHFFFAOYSA-N	0	0	440.634	6.667	50	30		IKEARN
Cc1ccc(N=Cc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1C	ZINC000252632241	569204886	/nfs/dbraw/zinc/20/48/86/569204886.db2.gz	VRFOJGVOSGWCFI-SSEXGKCCSA-N	0	0	429.567	7.410	50	30		IKEARN
COc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1O	ZINC000252632447	569204892	/nfs/dbraw/zinc/20/48/92/569204892.db2.gz	VTQQBIKOGKYPLQ-JXJWTFEASA-N	0	0	430.529	5.826	50	30		IKEARN
Oc1cc(N=C/C=C\c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1	ZINC000252633126	569205584	/nfs/dbraw/zinc/20/55/84/569205584.db2.gz	VZVIXTXZGMNUNK-OHKTVLNTSA-N	0	0	425.340	7.391	50	30		IKEARN
CCCCCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21	ZINC000002227104	569206350	/nfs/dbraw/zinc/20/63/50/569206350.db2.gz	YJIORNIBJRKATO-UHFFFAOYSA-N	0	0	448.611	6.883	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C/c3ccc(OCC)cc3OCC)C(=O)N2CC)cc1	ZINC000252635529	569207965	/nfs/dbraw/zinc/20/79/65/569207965.db2.gz	WXWAAZQLYYRCHU-LAJNNLEESA-N	0	0	440.565	5.507	50	30		IKEARN
COc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4F)nc3c2)c1O	ZINC000252635884	569207977	/nfs/dbraw/zinc/20/79/77/569207977.db2.gz	XBBPKCDGNMQZIT-UHFFFAOYSA-N	0	0	441.256	5.861	50	30		IKEARN
CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252635950	569208081	/nfs/dbraw/zinc/20/80/81/569208081.db2.gz	XCYWWJXXNPXLAA-GIFQUSADSA-N	0	0	446.956	5.467	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C	ZINC000252638009	569208186	/nfs/dbraw/zinc/20/81/86/569208186.db2.gz	XYNRMYPDJUIFHA-IBORXNHRSA-N	0	0	429.501	6.020	50	30		IKEARN
COc1ccc(-c2nc3cc(N=Cc4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1	ZINC000252637215	569208195	/nfs/dbraw/zinc/20/81/95/569208195.db2.gz	XQHBVMCHFFVEAB-UHFFFAOYSA-N	0	0	439.427	6.422	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OCc3ccccc3Cl)ccc2C1=O	ZINC000002228322	569208203	/nfs/dbraw/zinc/20/82/03/569208203.db2.gz	QGGSZYAFSHPLCU-QQAHGDJHSA-N	0	0	430.887	6.243	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1C	ZINC000252638010	569208257	/nfs/dbraw/zinc/20/82/57/569208257.db2.gz	XYNRMYPDJUIFHA-LAJNNLEESA-N	0	0	429.501	6.020	50	30		IKEARN
O=C(Oc1ccc(C=Nc2ccccc2I)cc1)c1ccccc1	ZINC000252637811	569208263	/nfs/dbraw/zinc/20/82/63/569208263.db2.gz	XWSBGEZRVXYYSH-UHFFFAOYSA-N	0	0	427.241	5.261	50	30		IKEARN
Fc1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(N3CCCCC3)n2)cc1	ZINC000252638242	569208342	/nfs/dbraw/zinc/20/83/42/569208342.db2.gz	YAMFACUMKIPIEB-UHFFFAOYSA-N	0	0	441.514	5.344	50	30		IKEARN
Cc1ccc(N=C2S/C(=C3\c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252640700	569208672	/nfs/dbraw/zinc/20/86/72/569208672.db2.gz	YWMICQGFRCHBFS-OHHJCTMOSA-N	0	0	439.540	5.459	50	30		IKEARN
C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O	ZINC000252640270	569208727	/nfs/dbraw/zinc/20/87/27/569208727.db2.gz	YSLXPAUGCBPIFW-XKEFNESHSA-N	0	0	446.528	5.527	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccccc2OC)C(=O)N1c1ccccc1CC	ZINC000252642206	569209453	/nfs/dbraw/zinc/20/94/53/569209453.db2.gz	ZJXFXNJPTOKNLR-OFGWUVNBSA-N	0	0	442.584	6.629	50	30		IKEARN
CN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1ccc(Oc2ccccc2)cc1	ZINC000252641996	569209472	/nfs/dbraw/zinc/20/94/72/569209472.db2.gz	ZHUTWQVIPWXUAC-SEYIQKDNSA-N	0	0	445.569	6.083	50	30		IKEARN
COc1ccc(OC)c(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000252642740	569209492	/nfs/dbraw/zinc/20/94/92/569209492.db2.gz	ZPCSONYMHSEOKG-GCNWNYGFSA-N	0	0	444.556	6.129	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=C\C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1	ZINC000252644134	569209571	/nfs/dbraw/zinc/20/95/71/569209571.db2.gz	ZZTDCIIRPGOJRR-OYKLTGMESA-N	0	0	438.270	7.126	50	30		IKEARN
C=CCn1c(-c2ccc(SC)cc2)c(-c2ccccc2)sc1=Nc1ccc(C)cc1	ZINC000252676540	569210429	/nfs/dbraw/zinc/21/04/29/569210429.db2.gz	XJRXRAPMVHSRBZ-UHFFFAOYSA-N	0	0	428.626	7.332	50	30		IKEARN
COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O	ZINC000252680184	569210646	/nfs/dbraw/zinc/21/06/46/569210646.db2.gz	XCZAGJVIWOAYNA-UHFFFAOYSA-N	0	0	439.302	5.764	50	30		IKEARN
N#Cc1c(/N=C/N2CCCCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1	ZINC000002232217	569210725	/nfs/dbraw/zinc/21/07/25/569210725.db2.gz	ZFCLZSIVKUHBIF-MWAVMZGNSA-N	0	0	434.543	6.481	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000252694479	569210864	/nfs/dbraw/zinc/21/08/64/569210864.db2.gz	LHZZMHLXKOFUGQ-QCOWYRHRSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
CC(=O)n1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c2ccccc21	ZINC000002235164	569211879	/nfs/dbraw/zinc/21/18/79/569211879.db2.gz	KJHDDKZAVMYEEE-UHFFFAOYSA-N	0	0	431.532	5.702	50	30		IKEARN
C=CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002236875	569212359	/nfs/dbraw/zinc/21/23/59/569212359.db2.gz	JJDLQCWWEJMXCP-UHFFFAOYSA-N	0	0	428.601	6.065	50	30		IKEARN
Cc1ccc(C)c(/N=C/c2ccccc2OC(=O)/C=C/c2ccc(Br)cc2)c1	ZINC000003082037	569213176	/nfs/dbraw/zinc/21/31/76/569213176.db2.gz	UKPOBPHTUNYDDH-WWFUUPRNSA-N	0	0	434.333	6.435	50	30		IKEARN
CCCCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000003166010	569213306	/nfs/dbraw/zinc/21/33/06/569213306.db2.gz	NZRLQQKPHLYIHV-UHFFFAOYSA-N	0	0	436.592	6.656	50	30		IKEARN
Cc1ccc(NC2=NC(=S)N(c3ccccc3Cl)C23CCC(C(C)(C)C)CC3)cc1	ZINC000027471971	569214027	/nfs/dbraw/zinc/21/40/27/569214027.db2.gz	CWFRNJGNMWYDIU-UHFFFAOYSA-N	0	0	440.056	7.048	50	30		IKEARN
Clc1ccc(C2=NN(c3ccc(/C=N/c4ccccc4)cc3)[C@H](c3ccccc3)C2)cc1	ZINC000027474044	569214084	/nfs/dbraw/zinc/21/40/84/569214084.db2.gz	DFEQTOYKKZYOKV-LUJVFJMUSA-N	0	0	435.958	7.446	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3	ZINC000002252402	569214233	/nfs/dbraw/zinc/21/42/33/569214233.db2.gz	QVEBVGKCKZFRHX-GOSISDBHSA-N	0	0	426.607	5.076	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3	ZINC000002252403	569214288	/nfs/dbraw/zinc/21/42/88/569214288.db2.gz	QVEBVGKCKZFRHX-SFHVURJKSA-N	0	0	426.607	5.076	50	30		IKEARN
CCCOc1ccc2c(c1)C(=NNc1ccc([N+](=O)[O-])cc1)c1cc(OCCC)ccc1-2	ZINC000027499177	569216288	/nfs/dbraw/zinc/21/62/88/569216288.db2.gz	PEKBPPJIHOBPSX-UHFFFAOYSA-N	0	0	431.492	6.017	50	30		IKEARN
O=[N+]([O-])C(C=Nc1cccc(Br)c1)=CNc1cccc(Br)c1	ZINC000002269892	569217277	/nfs/dbraw/zinc/21/72/77/569217277.db2.gz	UENBASIZYBEXNQ-MPGSNBGNSA-N	0	0	425.080	5.144	50	30		IKEARN
CCCCCCCCOc1cccc(/C=N/n2cnc3c4cc(C)ccc4[nH]c3c2=O)c1	ZINC000002273699	569217727	/nfs/dbraw/zinc/21/77/27/569217727.db2.gz	KUMGQGIUIIFVHW-OGLMXYFKSA-N	0	0	430.552	5.808	50	30		IKEARN
Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(Cl)cc1	ZINC000002279560	569218011	/nfs/dbraw/zinc/21/80/11/569218011.db2.gz	GPQTUYSSCOSDOL-UHFFFAOYSA-N	0	0	437.890	5.660	50	30		IKEARN
CCN(CC)c1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1	ZINC000020602265	569257352	/nfs/dbraw/zinc/25/73/52/569257352.db2.gz	XLLVCEWUWMRFCJ-OJWAVEFSSA-N	0	0	443.635	6.570	50	30		IKEARN
CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3cccc(N(C)C)c3)C[C@@]21C	ZINC000071766909	569258599	/nfs/dbraw/zinc/25/85/99/569258599.db2.gz	MREOZLCREPXSCQ-SVTWOBQPSA-N	0	0	429.604	5.407	50	30		IKEARN
CCCCCCCCSc1nc2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2s1	ZINC000138166075	569262890	/nfs/dbraw/zinc/26/28/90/569262890.db2.gz	RBYDFXAPMDTYEB-VAKZPMALSA-N	0	0	440.634	6.060	50	30		IKEARN
CCc1ccc(C(=O)On2c(=O)c3ccccc3nc2-c2ccc(C(C)(C)C)cc2)cc1	ZINC000027527696	569263321	/nfs/dbraw/zinc/26/33/21/569263321.db2.gz	HEDIFOSREDNVPQ-UHFFFAOYSA-N	0	0	426.516	5.192	50	30		IKEARN
COc1ccc(C2=C(/C=N/c3ccccc3)[C@H](c3ccccc3)c3ccccc3O2)cc1OC	ZINC000002291319	569267906	/nfs/dbraw/zinc/26/79/06/569267906.db2.gz	XWCCEOZZKMECFI-NQFKHPPRSA-N	0	0	447.534	7.042	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2	ZINC000002295073	569268157	/nfs/dbraw/zinc/26/81/57/569268157.db2.gz	YHNKXZRERRCDIW-UHFFFAOYSA-N	0	0	444.600	5.944	50	30	biogenic	IKEARN
CC(C)=C[C@@H]1[C@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C	ZINC000238997476	569268660	/nfs/dbraw/zinc/26/86/60/569268660.db2.gz	AITJTURKCCCOIZ-TXTKFYIRSA-N	0	0	441.402	7.134	50	30		IKEARN
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2cc(Cl)c([C@H](C#N)c3ccc(Cl)cc3)cc2C)C1(C)C	ZINC000238997477	569268706	/nfs/dbraw/zinc/26/87/06/569268706.db2.gz	AITJTURKCCCOIZ-VIZSFHNOSA-N	0	0	441.402	7.134	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OC(=O)c3oc4ccccc4c3C)cc2)SC1=S	ZINC000002300073	569269157	/nfs/dbraw/zinc/26/91/57/569269157.db2.gz	GDVIPIGFMFXACN-UYRXBGFRSA-N	0	0	435.526	5.348	50	30		IKEARN
Cc1nn(-c2ccccc2)c(C)c1C=NN1C(=S)N=NC1c1ccc(C(C)(C)C)cc1	ZINC000244795337	569269384	/nfs/dbraw/zinc/26/93/84/569269384.db2.gz	REJRUZRZEKNGGI-UHFFFAOYSA-N	0	0	430.581	5.216	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O	ZINC000245227748	569269445	/nfs/dbraw/zinc/26/94/45/569269445.db2.gz	UILXPFRZQGQVFT-UXVROXRQSA-N	0	0	442.546	6.174	50	30	biogenic	IKEARN
Cc1cccc(NC(=O)[C@]2(C#N)[C@H](c3ccccc3)[C@]2(C)C(=O)c2ccc(Cl)cc2)c1	ZINC000245255478	569269692	/nfs/dbraw/zinc/26/96/92/569269692.db2.gz	IPHQYXBFPOIGLR-RCXJIHSJSA-N	0	0	428.919	5.784	50	30		IKEARN
COc1cccc(N=C(SCc2c(C)c(C)c(C)c(C)c2C)N(CCC#N)CCC#N)c1	ZINC000252427837	569271145	/nfs/dbraw/zinc/27/11/45/569271145.db2.gz	ICMITAIQPYGNJJ-UHFFFAOYSA-N	0	0	448.636	6.288	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CCC4C=C(N=Nc5cccc(Cl)c5Cl)CC[C@@]43C)[C@H]1CCC2=O	ZINC000252320633	569271192	/nfs/dbraw/zinc/27/11/92/569271192.db2.gz	HESAJDXBMHQLJH-UGTIFVOYSA-N	0	0	445.434	7.293	50	30	biogenic	IKEARN
Cc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000002304136	569271566	/nfs/dbraw/zinc/27/15/66/569271566.db2.gz	YZACCTILOSAOID-XKZIYDEJSA-N	0	0	446.532	5.511	50	30		IKEARN
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C	ZINC000002302256	569271569	/nfs/dbraw/zinc/27/15/69/569271569.db2.gz	OVFOKMZBDXPYLK-STZFKDTASA-N	0	0	447.585	5.244	50	30		IKEARN
C=C(C)Cn1c(SC/C=C(\C)Cl)nc2sc3c(c2c1=O)CCc1ccccc1-3	ZINC000002308181	569271989	/nfs/dbraw/zinc/27/19/89/569271989.db2.gz	ZWJBTYOPCGVZIP-GXDHUFHOSA-N	0	0	429.010	6.034	50	30		IKEARN
C=CCn1cnc2c(c3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)c1=O	ZINC000002308801	569272201	/nfs/dbraw/zinc/27/22/01/569272201.db2.gz	ZSGYYZIKUZWTES-UHFFFAOYSA-N	0	0	445.482	5.262	50	30		IKEARN
N#Cc1c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)sc2c1CCCCCC2	ZINC000002316469	569272424	/nfs/dbraw/zinc/27/24/24/569272424.db2.gz	NBCRYYQWNYKOHB-UHFFFAOYSA-N	0	0	438.405	5.712	50	30		IKEARN
C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCCC3	ZINC000002316631	569272436	/nfs/dbraw/zinc/27/24/36/569272436.db2.gz	BCSPLWPQMSPYGZ-UHFFFAOYSA-N	0	0	447.423	5.635	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000253613863	569273428	/nfs/dbraw/zinc/27/34/28/569273428.db2.gz	IKAYYSYGCHKPAB-RVDMBQLFSA-N	0	0	443.716	6.987	50	30		IKEARN
COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc(OC)c2)C2=C1CC(C)(C)CC2=O	ZINC000027572008	569273668	/nfs/dbraw/zinc/27/36/68/569273668.db2.gz	YWRYEUJNZLRZAM-UHFFFAOYSA-N	0	0	437.580	5.027	50	30		IKEARN
C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(C(=O)OCC)cc1	ZINC000254288323	569273679	/nfs/dbraw/zinc/27/36/79/569273679.db2.gz	GUHHKQDFXNHGSZ-UHFFFAOYSA-N	0	0	433.360	6.119	50	30		IKEARN
Clc1ccccc1C=Nc1ccc(Oc2ccc(N=Cc3ccccc3Cl)cc2)cc1	ZINC000254741000	569273914	/nfs/dbraw/zinc/27/39/14/569273914.db2.gz	ALDSXUXLVATGJO-UHFFFAOYSA-N	0	0	445.349	8.287	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)/C=C/c5ccccc5)CC[C@@H]4[C@H]3CC[C@H]2C1	ZINC000257349964	569280512	/nfs/dbraw/zinc/28/05/12/569280512.db2.gz	SWTNFHMWIPZFLE-WAUVPMBKSA-N	0	0	448.647	6.860	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257350154	569280539	/nfs/dbraw/zinc/28/05/39/569280539.db2.gz	VEEBKUQFPONGGR-MQFZAQGNSA-N	0	0	444.700	7.171	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]23C)cc1	ZINC000257350203	569280548	/nfs/dbraw/zinc/28/05/48/569280548.db2.gz	VOPZSPZAIPUPAF-FIFXULJBSA-N	0	0	444.637	5.681	50	30		IKEARN
CC(=O)O[C@]12C[C@@H]3CC[C@@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@]5(C)CC[C@H]4[C@]3(C)C[C@H]1O2	ZINC000257350327	569280563	/nfs/dbraw/zinc/28/05/63/569280563.db2.gz	WJIXKJVODIQPNM-DFPJVFEVSA-N	0	0	444.700	7.376	50	30		IKEARN
C=C[C@@]12CC[C@@H]([C@H](OCOC)[C@@]1(O)C1=CCCC[C@@H]1[Si](C)(C)c1ccccc1)C2(C)C	ZINC000257355462	569280765	/nfs/dbraw/zinc/28/07/65/569280765.db2.gz	AUXKMQHVEKOAFZ-SNQOQQGOSA-N	0	0	440.700	5.425	50	30		IKEARN
C=C1C[C@@H]2[C@H]3CC(C)=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]2(C)[C@]1(OC(C)=O)C(C)=O	ZINC000257357611	569280874	/nfs/dbraw/zinc/28/08/74/569280874.db2.gz	PBCULPOTNCGYFY-VAOMLINUSA-N	0	0	442.596	5.328	50	30		IKEARN
C=C[C@@H](CC[C@]1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1	ZINC000257358556	569280940	/nfs/dbraw/zinc/28/09/40/569280940.db2.gz	VDGIQSSYFMFIRB-JBNMYPGFSA-N	0	0	436.686	7.980	50	30		IKEARN
CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12CC	ZINC000257358708	569280985	/nfs/dbraw/zinc/28/09/85/569280985.db2.gz	VWPWDINLQRVKPK-MVTMSODMSA-N	0	0	442.684	7.571	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257358571	569280989	/nfs/dbraw/zinc/28/09/89/569280989.db2.gz	VEEBKUQFPONGGR-XOGGIGDWSA-N	0	0	444.700	7.171	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1	ZINC000253498501	569283223	/nfs/dbraw/zinc/28/32/23/569283223.db2.gz	BKFIBDWKIPCPQA-DAMSHEIPSA-N	0	0	441.597	5.755	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000253497878	569283266	/nfs/dbraw/zinc/28/32/66/569283266.db2.gz	YGBQOUNQDOEMKJ-QWKBHQLBSA-N	0	0	445.430	6.880	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000253497877	569283336	/nfs/dbraw/zinc/28/33/36/569283336.db2.gz	YGBQOUNQDOEMKJ-MQILXLMVSA-N	0	0	445.430	6.880	50	30		IKEARN
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000253499437	569283400	/nfs/dbraw/zinc/28/34/00/569283400.db2.gz	HDTQUHRXMVKWMI-GCMMKGCVSA-N	0	0	442.728	8.638	50	30	biogenic	IKEARN
CCCCCCCC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC)CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000253499436	569283411	/nfs/dbraw/zinc/28/34/11/569283411.db2.gz	HDTQUHRXMVKWMI-CABDSGELSA-N	0	0	442.728	8.638	50	30	biogenic	IKEARN
CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C	ZINC000253501613	569283581	/nfs/dbraw/zinc/28/35/81/569283581.db2.gz	NKJYZYWCGKSMSV-WQGQLRQUSA-N	0	0	442.640	6.360	50	30		IKEARN
C=C(C)[C@H]1CC[C@]2(C(N)=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C[C@H]5CC[C@@]43C)[C@@H]12	ZINC000253531388	569283963	/nfs/dbraw/zinc/28/39/63/569283963.db2.gz	IIMYCYVBVMITJJ-VQPZRFJJSA-N	0	0	425.657	6.062	50	30		IKEARN
COc1cccc(-c2ccc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1	ZINC000000662163	569284947	/nfs/dbraw/zinc/28/49/47/569284947.db2.gz	YZBLQCRZFWLMQD-UHFFFAOYSA-N	0	0	443.450	5.378	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)c(C#N)c(SCC(=O)NC3CCCC3)n2)cc1	ZINC000000662332	569284966	/nfs/dbraw/zinc/28/49/66/569284966.db2.gz	SAZSAFCWQHBNKT-UHFFFAOYSA-N	0	0	449.601	5.508	50	30		IKEARN
Cc1cc(C)c(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c(C)c1	ZINC000000715943	569285093	/nfs/dbraw/zinc/28/50/93/569285093.db2.gz	NAZZSVLHQJMKFS-UHFFFAOYSA-N	0	0	431.561	5.748	50	30		IKEARN
CCOc1ccc(N=C(C)/C=C2\SC[C@](O)(c3ccccc3)N2c2ccccc2)cc1	ZINC000334157278	569285668	/nfs/dbraw/zinc/28/56/68/569285668.db2.gz	SWONQMMWZNRXGB-XLXDYZCMSA-N	0	0	430.573	6.118	50	30		IKEARN
CCCCCCCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21	ZINC000002368294	569288720	/nfs/dbraw/zinc/28/87/20/569288720.db2.gz	XEBADOYWFORDCF-UHFFFAOYSA-N	0	0	428.583	5.031	50	30		IKEARN
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)c(C)c1	ZINC000002376015	569289336	/nfs/dbraw/zinc/28/93/36/569289336.db2.gz	OXBUWOPINDVTJF-STZFKDTASA-N	0	0	447.585	5.244	50	30		IKEARN
N#Cc1c(-c2ccc(Br)cc2)cc(C2CC2)nc1SCC(=O)c1ccccc1	ZINC000008397658	569289623	/nfs/dbraw/zinc/28/96/23/569289623.db2.gz	BVAYJGWWHFBXLR-UHFFFAOYSA-N	0	0	449.373	6.235	50	30		IKEARN
Cc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1	ZINC000008412077	569289729	/nfs/dbraw/zinc/28/97/29/569289729.db2.gz	BMDCETVCGHPDNF-UHFFFAOYSA-N	0	0	434.564	6.879	50	30		IKEARN
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl	ZINC000008443203	569289814	/nfs/dbraw/zinc/28/98/14/569289814.db2.gz	JCNUPQXBLWLZBV-UHFFFAOYSA-N	0	0	430.935	7.372	50	30		IKEARN
N#Cc1c(-c2ccc(Br)cc2)c(/C=C/c2ccccc2)nn1-c1ccccc1	ZINC000008438089	569289817	/nfs/dbraw/zinc/28/98/17/569289817.db2.gz	VINKLNLSNHREPZ-LFIBNONCSA-N	0	0	426.317	6.344	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCCCC3CCCCC3)n2)cc1	ZINC000008445869	569289820	/nfs/dbraw/zinc/28/98/20/569289820.db2.gz	SPXMZEMPFALQKB-UHFFFAOYSA-N	0	0	442.628	7.748	50	30		IKEARN
COc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(SCc3ccccc3)n2)cc1	ZINC000008445812	569289826	/nfs/dbraw/zinc/28/98/26/569289826.db2.gz	RSEWWOULIYWKGS-UHFFFAOYSA-N	0	0	442.971	7.242	50	30		IKEARN
N#Cc1c(SC/C=C/c2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000008443092	569289833	/nfs/dbraw/zinc/28/98/33/569289833.db2.gz	IDFYAPSUCOWTBB-XBXARRHUSA-N	0	0	428.557	7.293	50	30		IKEARN
Cc1c(C#N)c2nc3c(c(-c4ccc(Br)cc4)c2n1-c1ccccc1)CCCC3	ZINC000008453865	569289878	/nfs/dbraw/zinc/28/98/78/569289878.db2.gz	GJGHVBVHCKQBJR-UHFFFAOYSA-N	0	0	442.360	6.514	50	30		IKEARN
COc1ccc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)c(OC)c1OC	ZINC000008544624	569289890	/nfs/dbraw/zinc/28/98/90/569289890.db2.gz	UFCRYBCNWONLPH-HXUWFJFHSA-N	0	0	445.515	5.490	50	30		IKEARN
CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccsc2)c1C#N	ZINC000008448668	569289956	/nfs/dbraw/zinc/28/99/56/569289956.db2.gz	KKTNITICRNXFAP-UHFFFAOYSA-N	0	0	428.560	5.025	50	30		IKEARN
Cc1cc(/C=C2\C(C)=NN(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000008451414	569289960	/nfs/dbraw/zinc/28/99/60/569289960.db2.gz	OFIKLJVQMWKART-HYARGMPZSA-N	0	0	440.572	5.712	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccc(Cl)cc3)c2C#N)cc1	ZINC000008809656	569290778	/nfs/dbraw/zinc/29/07/78/569290778.db2.gz	PVTJDUKPZSKMBL-UHFFFAOYSA-N	0	0	442.971	7.242	50	30		IKEARN
Clc1cccc(Cl)c1CO/N=C/c1c(SCc2ccccc2)nc2sccn12	ZINC000008855383	569291178	/nfs/dbraw/zinc/29/11/78/569291178.db2.gz	DJLCQUWTSYBXCJ-FOKLQQMPSA-N	0	0	448.400	6.546	50	30		IKEARN
O=C(Nc1cccc(Cl)c1)O/N=C(/COc1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000008857084	569291439	/nfs/dbraw/zinc/29/14/39/569291439.db2.gz	NCIKMGIFMRFZIU-MOHJPFBDSA-N	0	0	425.828	5.280	50	30		IKEARN
CO/N=C/C(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1	ZINC000008873277	569291624	/nfs/dbraw/zinc/29/16/24/569291624.db2.gz	BOCLLYUKPLMBIO-GZIVZEMBSA-N	0	0	449.121	5.126	50	30		IKEARN
C=C(C)C(=O)NCCCCCCCCCCC(=O)Nc1ccc(Oc2ccccc2)cc1	ZINC000008873548	569291657	/nfs/dbraw/zinc/29/16/57/569291657.db2.gz	SSJUTLJNMPPDGD-UHFFFAOYSA-N	0	0	436.596	6.621	50	30		IKEARN
CC(=NNc1ccccc1)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000008873030	569291734	/nfs/dbraw/zinc/29/17/34/569291734.db2.gz	UNXUKMKJJCXIRN-HAHDFKILSA-N	0	0	443.912	5.058	50	30		IKEARN
O=S(=O)(C/C(=N\OCc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)cc1	ZINC000008925776	569292430	/nfs/dbraw/zinc/29/24/30/569292430.db2.gz	GUOAPEHHBZMISF-DARPEHSRSA-N	0	0	434.344	5.388	50	30		IKEARN
CCN(CC)c1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000008932115	569292565	/nfs/dbraw/zinc/29/25/65/569292565.db2.gz	YPASWKKHVTXBDW-UHFFFAOYSA-N	0	0	439.607	6.846	50	30		IKEARN
CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(Cl)cc1	ZINC000009042826	569293035	/nfs/dbraw/zinc/29/30/35/569293035.db2.gz	AYCGMPVRBWCDCJ-UHFFFAOYSA-N	0	0	432.911	5.560	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)c1C#N	ZINC000009130395	569293824	/nfs/dbraw/zinc/29/38/24/569293824.db2.gz	FHPOTEJYQQSYNE-GOEBONIOSA-N	0	0	449.458	5.193	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)c1nc(SCc3ccccc3)ncc1Cl)CCCC2	ZINC000027742722	569295362	/nfs/dbraw/zinc/29/53/62/569295362.db2.gz	AMZCYSJNZHNRET-UHFFFAOYSA-N	0	0	440.981	5.487	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(Cl)cc2)N3)cc1	ZINC000009489947	569296750	/nfs/dbraw/zinc/29/67/50/569296750.db2.gz	FUJWULVYCABEQW-SJLPKXTDSA-N	0	0	445.832	5.321	50	30		IKEARN
N#Cc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(Cl)cc2)N3)cc1	ZINC000009489948	569296789	/nfs/dbraw/zinc/29/67/89/569296789.db2.gz	FUJWULVYCABEQW-WMZOPIPTSA-N	0	0	445.832	5.321	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)c1	ZINC000009556365	569297301	/nfs/dbraw/zinc/29/73/01/569297301.db2.gz	HHBWDDRAJXMVFH-UHFFFAOYSA-N	0	0	445.441	5.817	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(OC)cc2)cc1	ZINC000010247417	569299407	/nfs/dbraw/zinc/29/94/07/569299407.db2.gz	PMWZFKSNHUXCCJ-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc21	ZINC000002403345	569299888	/nfs/dbraw/zinc/29/98/88/569299888.db2.gz	JFLGUCIZCUDVPR-UHFFFAOYSA-N	0	0	436.943	5.937	50	30		IKEARN
COc1ccc(-c2c(C#N)c(SC)nc(C)c2C(=O)Nc2ccccc2C)cc1OC	ZINC000002410312	569300799	/nfs/dbraw/zinc/30/07/99/569300799.db2.gz	OONIRUMZQLKLIM-UHFFFAOYSA-N	0	0	433.533	5.229	50	30		IKEARN
COc1ccccc1/C=C/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O	ZINC000002415848	569301394	/nfs/dbraw/zinc/30/13/94/569301394.db2.gz	HBAPEQCAOZZERL-IQDOGGMESA-N	0	0	432.859	5.740	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc(Cl)cc2C(=O)/C=C/c2ccc(F)cc2)cc1OC	ZINC000011867837	569303097	/nfs/dbraw/zinc/30/30/97/569303097.db2.gz	DZTWEIHZRTZXPD-BJMVGYQFSA-N	0	0	440.854	5.612	50	30		IKEARN
O=C(COc1ccc2c(c1)OC(=CC1=Cc3ccccc3OC1)C2=O)c1ccc(Cl)cc1	ZINC000002430572	569303303	/nfs/dbraw/zinc/30/33/03/569303303.db2.gz	JFFMAWWLKFNPFR-ROTLSHHCSA-N	0	0	444.870	5.537	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccc(Cl)cc2)cc1	ZINC000002446721	569304501	/nfs/dbraw/zinc/30/45/01/569304501.db2.gz	MHXJNNAHAKLEBI-UHFFFAOYSA-N	0	0	432.936	5.760	50	30		IKEARN
CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccc(C)c2)cc1	ZINC000002454168	569304784	/nfs/dbraw/zinc/30/47/84/569304784.db2.gz	SMMLCMHGAKSLGY-UHFFFAOYSA-N	0	0	426.545	5.805	50	30		IKEARN
CC(C)(C)C(=O)Nc1cccc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1	ZINC000012982157	569305869	/nfs/dbraw/zinc/30/58/69/569305869.db2.gz	QNWHVGSXGVPWST-UHFFFAOYSA-N	0	0	429.545	5.946	50	30		IKEARN
Cc1noc(C)c1CSc1ncccc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2	ZINC000013039349	569307643	/nfs/dbraw/zinc/30/76/43/569307643.db2.gz	AEIRAFWOWIMNBA-GFCCVEGCSA-N	0	0	438.578	5.289	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1coc2cc3c(cc12)CCC3	ZINC000013096924	569309309	/nfs/dbraw/zinc/30/93/09/569309309.db2.gz	BZCVZPOWAYMTRN-UHFFFAOYSA-N	0	0	440.293	5.102	50	30		IKEARN
COc1cc(C#N)ccc1OC(=O)c1oc2ccccc2c1CSc1nc(C)cs1	ZINC000013098224	569309821	/nfs/dbraw/zinc/30/98/21/569309821.db2.gz	IVACALCUYKAULJ-UHFFFAOYSA-N	0	0	436.514	5.590	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl	ZINC000013109369	569310143	/nfs/dbraw/zinc/31/01/43/569310143.db2.gz	PMMLZTGOZKWWGR-UHFFFAOYSA-N	0	0	425.271	5.328	50	30		IKEARN
Cc1cc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n2c3ccccc3nc2c1C#N	ZINC000013148677	569312139	/nfs/dbraw/zinc/31/21/39/569312139.db2.gz	RSOLWRIPFYTORN-UHFFFAOYSA-N	0	0	441.343	5.705	50	30		IKEARN
Cc1cc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)n2c3ccccc3nc2c1C#N	ZINC000013149708	569312260	/nfs/dbraw/zinc/31/22/60/569312260.db2.gz	UOGJGTCIRMLDAJ-UHFFFAOYSA-N	0	0	440.450	5.417	50	30		IKEARN
N#Cc1ccsc1NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc21	ZINC000013163612	569312411	/nfs/dbraw/zinc/31/24/11/569312411.db2.gz	RVQLOGAWLMSVLG-UHFFFAOYSA-N	0	0	426.523	5.161	50	30		IKEARN
NC(=O)c1cc(NC(=O)c2ccccc2OCc2ccc(F)cc2)c(Cl)cc1Cl	ZINC000328589858	569316844	/nfs/dbraw/zinc/31/68/44/569316844.db2.gz	FKHOAJGVMJIRPD-UHFFFAOYSA-N	0	0	433.266	6.231	50	30		IKEARN
Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)c1	ZINC000328592539	569317177	/nfs/dbraw/zinc/31/71/77/569317177.db2.gz	TZIWJMKSPHCTIW-MRXNPFEDSA-N	0	0	445.560	5.463	50	30		IKEARN
CC[C@H](OC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)NCc1ccccc1	ZINC000328592475	569317210	/nfs/dbraw/zinc/31/72/10/569317210.db2.gz	VLYRJXLHVQQJKA-XZOQPEGZSA-N	0	0	430.504	5.211	50	30		IKEARN
CC(C)(C)OC(=O)N1CCC(Cc2ccccc2C(=O)NCC2(c3ccccn3)CC2)CC1	ZINC000328596434	569317823	/nfs/dbraw/zinc/31/78/23/569317823.db2.gz	PTAGNYZBTFLUHJ-UHFFFAOYSA-N	0	0	449.595	5.308	50	30		IKEARN
CC(C)Cc1c(C#N)c(N)nc(SCC(=O)c2ccc(-c3ccccc3)cc2)c1C#N	ZINC000019337928	569318685	/nfs/dbraw/zinc/31/86/85/569318685.db2.gz	SEZSGXTYASLHOL-UHFFFAOYSA-N	0	0	426.545	5.248	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C/c2nc3ccccc3[nH]2)c(-c2ccccc2)c2ccc(Cl)cc21	ZINC000079047092	569323114	/nfs/dbraw/zinc/32/31/14/569323114.db2.gz	ZAPGQGLSZPGISM-BUHFOSPRSA-N	0	0	439.902	5.631	50	30		IKEARN
CSc1nc(Nc2ccc(N3CCCC3)cc2)c(C#N)c(-c2ccc(C(C)(C)C)cc2)n1	ZINC000019820411	569330024	/nfs/dbraw/zinc/33/00/24/569330024.db2.gz	AAMFQGCREVXTKA-UHFFFAOYSA-N	0	0	443.620	6.378	50	30		IKEARN
CSc1nc(-c2ccc(C(C)(C)C)cc2)c(C#N)c(N2CCN(c3ccccc3)CC2)n1	ZINC000019820401	569330031	/nfs/dbraw/zinc/33/00/31/569330031.db2.gz	CLLSVUBWXFQQSC-UHFFFAOYSA-N	0	0	443.620	5.361	50	30		IKEARN
COc1ccc(Nc2nc(SC)nc(-c3ccc(C(C)(C)C)cc3)c2C#N)c(OC)c1	ZINC000019820326	569330048	/nfs/dbraw/zinc/33/00/48/569330048.db2.gz	XIGUEFQAYARWOA-UHFFFAOYSA-N	0	0	434.565	5.795	50	30		IKEARN
COc1ccc(Cl)cc1Nc1nc(SC)nc(-c2ccc(C(C)(C)C)cc2)c1C#N	ZINC000019820440	569330080	/nfs/dbraw/zinc/33/00/80/569330080.db2.gz	KSHBPWJXTPAVIP-UHFFFAOYSA-N	0	0	438.984	6.440	50	30		IKEARN
COc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl	ZINC000019841258	569330132	/nfs/dbraw/zinc/33/01/32/569330132.db2.gz	AMZLPKIYASITIO-UHFFFAOYSA-N	0	0	433.939	5.712	50	30		IKEARN
COc1ccc(OCc2ccc(-c3c(C#N)c(N)nc4c3CCCCC4)cc2OC)cc1	ZINC000019840991	569330261	/nfs/dbraw/zinc/33/02/61/569330261.db2.gz	KYBXVAZYMIEPBT-UHFFFAOYSA-N	0	0	429.520	5.068	50	30		IKEARN
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCCCC3)cc1COc1ccc(F)cc1	ZINC000019857474	569330317	/nfs/dbraw/zinc/33/03/17/569330317.db2.gz	ZTYRJLIDPQAWCK-UHFFFAOYSA-N	0	0	429.539	6.196	50	30		IKEARN
CC[C@@H](C)c1ccc(NC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1	ZINC000019852350	569330335	/nfs/dbraw/zinc/33/03/35/569330335.db2.gz	CFGCPZUVSMONEC-CQSZACIVSA-N	0	0	447.589	5.380	50	30		IKEARN
N#Cc1c(N)nc(SCc2ccc(Br)cc2)c(C#N)c1-c1cccs1	ZINC000019852218	569330369	/nfs/dbraw/zinc/33/03/69/569330369.db2.gz	YQBDYMMCYQIUNF-UHFFFAOYSA-N	0	0	427.352	5.190	50	30		IKEARN
N#Cc1c(N)nc(SCc2ccccc2Br)c(C#N)c1-c1cccs1	ZINC000019852224	569330401	/nfs/dbraw/zinc/33/04/01/569330401.db2.gz	DWVYKVKSJMWFES-UHFFFAOYSA-N	0	0	427.352	5.190	50	30		IKEARN
Cc1ccccc1NC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(C(C)C)cc3)c2c1N	ZINC000019900753	569331782	/nfs/dbraw/zinc/33/17/82/569331782.db2.gz	RJOPKBVOZPWSCU-UHFFFAOYSA-N	0	0	441.560	5.684	50	30		IKEARN
CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccc(Cl)cc1	ZINC000020033512	569332671	/nfs/dbraw/zinc/33/26/71/569332671.db2.gz	OHUXDFROVCRHAM-KGENOOAVSA-N	0	0	433.891	5.662	50	30		IKEARN
N#Cc1cc2[nH]c3ccccc3c2nc1N(c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000020036514	569332694	/nfs/dbraw/zinc/33/26/94/569332694.db2.gz	SQFKFEONBNPGQF-UHFFFAOYSA-N	0	0	439.862	6.619	50	30		IKEARN
CC(C)COC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl	ZINC000020035588	569332752	/nfs/dbraw/zinc/33/27/52/569332752.db2.gz	PSOSDOPBGNGVHK-MOSHPQCFSA-N	0	0	449.890	5.757	50	30		IKEARN
CCCOC(=O)c1cc(-c2ccc(/C=C3\C(=O)ON=C3c3ccccc3)o2)ccc1Cl	ZINC000020036578	569332784	/nfs/dbraw/zinc/33/27/84/569332784.db2.gz	YCDNLYMLGTVPIN-RGEXLXHISA-N	0	0	435.863	5.511	50	30		IKEARN
COc1cc(Br)cc(C=Nc2ccc3[nH]c(-c4ccc(F)cc4)nc3c2)c1O	ZINC000020075289	569333823	/nfs/dbraw/zinc/33/38/23/569333823.db2.gz	ONHYFHCPXLDSAN-BHGWPJFGSA-N	0	0	440.272	5.596	50	30		IKEARN
O=C1/C(=C/c2cc(Br)cs2)CCC/C1=C\c1cc(Br)cs1	ZINC000020115609	569335011	/nfs/dbraw/zinc/33/50/11/569335011.db2.gz	KGCRDLSSNNHMBD-ZVSIBQGLSA-N	0	0	444.213	6.555	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3noc4c3CCc3ccccc3-4)sc2C1	ZINC000020137769	569335221	/nfs/dbraw/zinc/33/52/21/569335221.db2.gz	JDWZNYXLRZPBNZ-OAHLLOKOSA-N	0	0	431.561	5.777	50	30		IKEARN
Cc1cccc(CN2c3ccccc3C(=O)C(=CNc3cccc(C)c3C)S2(=O)=O)c1	ZINC000020132836	569335423	/nfs/dbraw/zinc/33/54/23/569335423.db2.gz	MOKIVHYYRCSKMZ-BUVRLJJBSA-N	0	0	432.545	5.098	50	30		IKEARN
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc([N+](=O)[O-])cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000020134799	569335759	/nfs/dbraw/zinc/33/57/59/569335759.db2.gz	GIHWLBZUBFIBJV-FQEVSTJZSA-N	0	0	444.491	5.194	50	30		IKEARN
Cc1c2sc3c(c2nc(N)c1C#N)[C@H](c1ccc(OCc2ccccc2)cc1)CC(=O)N3	ZINC000020150259	569336205	/nfs/dbraw/zinc/33/62/05/569336205.db2.gz	IXHIHSJYVCEXNU-SFHVURJKSA-N	0	0	440.528	5.761	50	30		IKEARN
C=CCSC1=N/C(=C\c2ccc(OC)cc2OC)C(=O)N1c1ccc(F)c(Cl)c1	ZINC000020152171	569336612	/nfs/dbraw/zinc/33/66/12/569336612.db2.gz	ZJUJBIUOAOEXMO-ZDLGFXPLSA-N	0	0	432.904	5.159	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCOCC1	ZINC000020218942	569356852	/nfs/dbraw/zinc/35/68/52/569356852.db2.gz	SJHOWINNHQPQFY-UHFFFAOYSA-N	0	0	444.749	6.084	50	30		IKEARN
COc1c2c(cc3c1[C@@H](C#CCOc1cc(C)c(Cl)cc1C(C)C)N(C)CC3)OCO2	ZINC000020410459	569364000	/nfs/dbraw/zinc/36/40/00/569364000.db2.gz	SCRVHZJAEBYCPQ-HXUWFJFHSA-N	0	0	441.955	5.121	50	30	biogenic	IKEARN
N#Cc1cccnc1NCc1cccc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)c1	ZINC000095468192	569371183	/nfs/dbraw/zinc/37/11/83/569371183.db2.gz	UDYUSTHNFHQUAT-UHFFFAOYSA-N	0	0	439.450	5.144	50	30		IKEARN
CCCC/N=C(\C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1NC(C)=O	ZINC000020616451	569374614	/nfs/dbraw/zinc/37/46/14/569374614.db2.gz	MZSLLKDEBQZAIF-XHPQRKPJSA-N	0	0	439.865	5.545	50	30		IKEARN
CC(C)(C)C(=O)[C@@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12	ZINC000254487167	569374950	/nfs/dbraw/zinc/37/49/50/569374950.db2.gz	SDLIEYULIJAVBE-GSDHBNRESA-N	0	0	431.539	5.982	50	30		IKEARN
Cn1cc([C@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21	ZINC000096292486	569391322	/nfs/dbraw/zinc/39/13/22/569391322.db2.gz	FBDLXDQCWQUDOW-JOCHJYFZSA-N	0	0	427.935	5.542	50	30		IKEARN
CCCCN1c2ccccc2C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)C1=O	ZINC000096576494	569401462	/nfs/dbraw/zinc/40/14/62/569401462.db2.gz	FGSBTRALSWEUPG-VHEBQXMUSA-N	0	0	425.941	5.897	50	30		IKEARN
CC(C)(C)[C@@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccc(Cl)cc1	ZINC000096579892	569401589	/nfs/dbraw/zinc/40/15/89/569401589.db2.gz	OTFAKJFWVGHUCT-AWEZNQCLSA-N	0	0	448.766	5.110	50	30		IKEARN
CN1c2ccccc2S/C1=C\C(=O)CCCCC(=O)/C=C1\Sc2ccccc2N1C	ZINC000096581364	569401641	/nfs/dbraw/zinc/40/16/41/569401641.db2.gz	HNDDHEMDAHTJRE-MPKYGIEOSA-N	0	0	436.602	5.852	50	30		IKEARN
O=C(/C=C/c1ccc(Br)cc1)c1ccc(NC(=O)CCc2ccccc2)cc1	ZINC000096581735	569401815	/nfs/dbraw/zinc/40/18/15/569401815.db2.gz	FDOYTZLMGCXOMF-LZYBPNLTSA-N	0	0	434.333	5.917	50	30		IKEARN
O=C(/C=C\c1ccc(-c2ccccc2Br)o1)c1ccc(N2CCOCC2)cc1	ZINC000096767041	569402376	/nfs/dbraw/zinc/40/23/76/569402376.db2.gz	HHYLNDUEXQCOKD-LUAWRHEFSA-N	0	0	438.321	5.442	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1	ZINC000002504204	569406214	/nfs/dbraw/zinc/40/62/14/569406214.db2.gz	XNSMVGXIAJTCIL-AWEZNQCLSA-N	0	0	443.569	5.119	50	30		IKEARN
CCOc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052166	569406792	/nfs/dbraw/zinc/40/67/92/569406792.db2.gz	AHLJQHUISPHXIK-UZUQRXQVSA-N	0	0	434.923	5.993	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(C)cc2)cc1OC	ZINC000028052517	569406809	/nfs/dbraw/zinc/40/68/09/569406809.db2.gz	HUMNHWCCBPONDM-KOSHJBKYSA-N	0	0	430.504	5.267	50	30		IKEARN
Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000028051620	569406871	/nfs/dbraw/zinc/40/68/71/569406871.db2.gz	ACQYNELHLXNPJA-IERDGZPVSA-N	0	0	435.321	5.704	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C	ZINC000028182497	569408712	/nfs/dbraw/zinc/40/87/12/569408712.db2.gz	DMUGLWRDOVUJHV-ZRGSRPPYSA-N	0	0	425.484	5.691	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4cccc(OC)c4)ccc3C1=O)cn2C	ZINC000028182714	569408760	/nfs/dbraw/zinc/40/87/60/569408760.db2.gz	WZAIHFAOJMPCHQ-ZRGSRPPYSA-N	0	0	441.483	5.391	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4OC)c3C)C2=O)c2ccccc21	ZINC000028182520	569408763	/nfs/dbraw/zinc/40/87/63/569408763.db2.gz	KPFGZUKGBBDUER-YSMPRRRNSA-N	0	0	439.511	6.173	50	30		IKEARN
CCn1cc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3CCC[C@@H](C)C3)C2=O)c2cc(OC)ccc21	ZINC000028182798	569408769	/nfs/dbraw/zinc/40/87/69/569408769.db2.gz	CYWOHMRXGGESRQ-VXHGTMSESA-N	0	0	446.547	5.224	50	30		IKEARN
Cc1c2c(ccc1OCc1c(F)cccc1Cl)C(=O)/C(=C/c1cn(C)c3ccccc13)O2	ZINC000028182592	569408779	/nfs/dbraw/zinc/40/87/79/569408779.db2.gz	SKHUFRCZPOGCOW-MSXFZWOLSA-N	0	0	447.893	6.474	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O	ZINC000002618969	569410587	/nfs/dbraw/zinc/41/05/87/569410587.db2.gz	CWUQHJVMHLIYPO-GFCCVEGCSA-N	0	0	434.348	5.009	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c1C	ZINC000002619834	569410783	/nfs/dbraw/zinc/41/07/83/569410783.db2.gz	BLLABKBKLXTLSE-UHFFFAOYSA-N	0	0	432.549	5.166	50	30		IKEARN
N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1/N=C/N1CCCC1	ZINC000002622251	569411138	/nfs/dbraw/zinc/41/11/38/569411138.db2.gz	ZXXINQMANVQBOA-DFKUXCBWSA-N	0	0	430.555	6.498	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Nc4ccccc4)s3)sc2C1	ZINC000002626942	569411777	/nfs/dbraw/zinc/41/17/77/569411777.db2.gz	OXDHHQYCDWXIAB-GFCCVEGCSA-N	0	0	441.607	5.070	50	30		IKEARN
N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1ccc(C(F)(F)F)cn1	ZINC000215710355	569413239	/nfs/dbraw/zinc/41/32/39/569413239.db2.gz	LCVFUUXFXMTWSF-UHFFFAOYSA-N	0	0	448.857	5.418	50	30		IKEARN
Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(C(F)(F)F)cn3)n2)cc1	ZINC000215706835	569413270	/nfs/dbraw/zinc/41/32/70/569413270.db2.gz	KYVLKDUBOZKQMU-UHFFFAOYSA-N	0	0	428.439	5.073	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1SCC(=O)c1cc(C)c(C)cc1C	ZINC000002638479	569413435	/nfs/dbraw/zinc/41/34/35/569413435.db2.gz	CRRFRRVRBZDTPZ-UHFFFAOYSA-N	0	0	425.529	5.082	50	30		IKEARN
Cc1cc(C(=O)CON=C2c3ccccc3-c3ccccc32)c(C)n1Cc1cccs1	ZINC000002645639	569414117	/nfs/dbraw/zinc/41/41/17/569414117.db2.gz	DZBWVGODSUSAQY-UHFFFAOYSA-N	0	0	426.541	5.847	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C#N)c1C	ZINC000002734229	569419011	/nfs/dbraw/zinc/41/90/11/569419011.db2.gz	JNWNCZKUZXXNKH-UHFFFAOYSA-N	0	0	445.544	5.287	50	30		IKEARN
CC(C)Cc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3c3ccc(Cl)cc3)c2C#N)cc1	ZINC000002739311	569419193	/nfs/dbraw/zinc/41/91/93/569419193.db2.gz	CLPDLIRHZNCABD-NHCUHLMSSA-N	0	0	434.992	6.881	50	30		IKEARN
CC[C@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1	ZINC000002742229	569419799	/nfs/dbraw/zinc/41/97/99/569419799.db2.gz	KMVQYZAWHWLFOY-GAJHUEQPSA-N	0	0	432.614	6.607	50	30		IKEARN
Cc1ccc2c(Cl)c(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)sc2c1	ZINC000002740658	569419802	/nfs/dbraw/zinc/41/98/02/569419802.db2.gz	FLBNUXFKJHFBST-CYBMUJFWSA-N	0	0	443.037	7.200	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccccc3C(=O)c3ccccc3)sc2C1	ZINC000002744320	569419814	/nfs/dbraw/zinc/41/98/14/569419814.db2.gz	JKKZDNGUKYWROQ-SFHVURJKSA-N	0	0	442.584	6.254	50	30		IKEARN
C#CCOc1ccc(Br)cc1[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1	ZINC000002745099	569419962	/nfs/dbraw/zinc/41/99/62/569419962.db2.gz	ZEIPSOYTXCIMJG-QHCPKHFHSA-N	0	0	447.332	5.541	50	30		IKEARN
Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Cl)nc3c2)c(Cl)c1	ZINC000002756813	569420349	/nfs/dbraw/zinc/42/03/49/569420349.db2.gz	UMMQOWRJBFAPFS-HDMKSOMJSA-N	0	0	427.718	7.871	50	30		IKEARN
Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc5ccccc5c4)nc3c2)c(Cl)c1	ZINC000002756821	569420363	/nfs/dbraw/zinc/42/03/63/569420363.db2.gz	SUJMRLHEGFTHJI-KMKHTYBGSA-N	0	0	443.333	8.371	50	30		IKEARN
COc1ccc(-c2nc3cc(/N=C/C=C/c4ccc(Br)cc4)ccc3o2)cc1	ZINC000002756904	569420411	/nfs/dbraw/zinc/42/04/11/569420411.db2.gz	DNAKIAZHCDTYCD-CZMNVGCUSA-N	0	0	433.305	6.682	50	30		IKEARN
CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Br)cc3)sc2C1	ZINC000002753089	569420418	/nfs/dbraw/zinc/42/04/18/569420418.db2.gz	IWAOPYIYVVRETN-VQCVXAJWSA-N	0	0	443.410	6.185	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)scc1-c1ccc(Cl)cc1Cl	ZINC000002773710	569420844	/nfs/dbraw/zinc/42/08/44/569420844.db2.gz	KUQLGIUXWZWAMD-UHFFFAOYSA-N	0	0	449.362	7.513	50	30		IKEARN
COc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OC(F)F	ZINC000002792429	569421551	/nfs/dbraw/zinc/42/15/51/569421551.db2.gz	YDOQOOZSHDYPDV-ZDUSSCGKSA-N	0	0	434.508	5.633	50	30		IKEARN
CCn1cc(Br)c(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)n1	ZINC000002791616	569421603	/nfs/dbraw/zinc/42/16/03/569421603.db2.gz	WGWGVQRXUWIMDA-NSHDSACASA-N	0	0	435.391	5.002	50	30		IKEARN
N#Cc1ccccc1CSc1nnc(Cc2cccc3ccccc32)n1-c1ccccc1	ZINC000002846898	569423341	/nfs/dbraw/zinc/42/33/41/569423341.db2.gz	YIGYFSXEWJVNBV-UHFFFAOYSA-N	0	0	432.552	6.175	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(F)c1	ZINC000002880773	569423984	/nfs/dbraw/zinc/42/39/84/569423984.db2.gz	OFEABBHERNUUTD-UHFFFAOYSA-N	0	0	441.849	6.564	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2C1	ZINC000002880199	569423985	/nfs/dbraw/zinc/42/39/85/569423985.db2.gz	YKFVCOQAAONHKV-HNNXBMFYSA-N	0	0	440.524	5.770	50	30		IKEARN
COc1c(Br)c2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCC2	ZINC000002884922	569424079	/nfs/dbraw/zinc/42/40/79/569424079.db2.gz	NYYJPWLOYAWSTI-UHFFFAOYSA-N	0	0	427.323	5.285	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c(F)c1	ZINC000002890251	569424086	/nfs/dbraw/zinc/42/40/86/569424086.db2.gz	WTVWIOONVPJKQC-UHFFFAOYSA-N	0	0	436.240	5.520	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2	ZINC000226760000	569429228	/nfs/dbraw/zinc/42/92/28/569429228.db2.gz	RGXYSKFXYUNLBJ-WHEFHEQHSA-N	0	0	442.467	5.708	50	30		IKEARN
N#Cc1c(NC(=O)COc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1	ZINC000002964577	569432615	/nfs/dbraw/zinc/43/26/15/569432615.db2.gz	PRCXAPJWDVGKNL-UHFFFAOYSA-N	0	0	428.875	6.156	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Br)ccc1O	ZINC000002963208	569432790	/nfs/dbraw/zinc/43/27/90/569432790.db2.gz	PJXIQRBEKIUKFA-DEOSSOPVSA-N	0	0	448.360	6.617	50	30		IKEARN
CCC1N=NC(=S)N1N=Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	ZINC000254765918	569435100	/nfs/dbraw/zinc/43/51/00/569435100.db2.gz	NJQGLEMIZLJEQA-UHFFFAOYSA-N	0	0	444.560	5.169	50	30		IKEARN
Cc1ccc(-n2c3nc(SCC#N)n(-c4ccccc4)c(=O)c3sc2=S)cc1C	ZINC000003026452	569436260	/nfs/dbraw/zinc/43/62/60/569436260.db2.gz	MBDBTPGQSGCBEJ-UHFFFAOYSA-N	0	0	436.587	5.200	50	30		IKEARN
O=[N+]([O-])c1cc(/C=N/OCc2ccc(Cl)cc2Cl)ccc1Sc1ccccc1	ZINC000003028599	569436506	/nfs/dbraw/zinc/43/65/06/569436506.db2.gz	BGRCEWDKKXUISS-FSJBWODESA-N	0	0	433.316	6.604	50	30		IKEARN
CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccc(Cl)cc1)c2C	ZINC000003033329	569437799	/nfs/dbraw/zinc/43/77/99/569437799.db2.gz	VWRKWJLUKVOOCN-UHFFFAOYSA-N	0	0	426.992	5.681	50	30		IKEARN
CCCCCCCCNC(=O)c1cnn2c1nc(C)c(Cc1ccccc1Cl)c2C	ZINC000003033379	569437893	/nfs/dbraw/zinc/43/78/93/569437893.db2.gz	AHSOHTDAMNXUGB-UHFFFAOYSA-N	0	0	426.992	5.681	50	30		IKEARN
C=CCN1c2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccccc2C1=O	ZINC000003040708	569438415	/nfs/dbraw/zinc/43/84/15/569438415.db2.gz	NXFQISWGNTZBHT-UHFFFAOYSA-N	0	0	448.975	5.610	50	30		IKEARN
CCc1ccc(NC(=S)N/N=C2/c3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1	ZINC000003041561	569438455	/nfs/dbraw/zinc/43/84/55/569438455.db2.gz	PZTGSQYCZAAUHW-QYQHSDTDSA-N	0	0	448.979	5.140	50	30		IKEARN
Cc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(Cl)c2)C1=O	ZINC000003041555	569438459	/nfs/dbraw/zinc/43/84/59/569438459.db2.gz	LECRURPEDDHNCW-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3cc(C)ccc3C)C2=O)c1	ZINC000003041796	569438477	/nfs/dbraw/zinc/43/84/77/569438477.db2.gz	DXNQNHGRGUXLJH-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)c1	ZINC000003041500	569438489	/nfs/dbraw/zinc/43/84/89/569438489.db2.gz	JIIDCHBOTURGEC-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
C/N=C1\S/C(=C\c2cc(Cl)ccc2OCc2c(F)cccc2Cl)C(=O)N1C	ZINC000230145114	569439505	/nfs/dbraw/zinc/43/95/05/569439505.db2.gz	NOGLDMOKBGVJSZ-UPBOQZGBSA-N	0	0	425.312	5.243	50	30		IKEARN
O=C1/C(=N\OCc2ccc(Cl)cc2)c2ccccc2N1Cc1c(Cl)cccc1Cl	ZINC000003063940	569439669	/nfs/dbraw/zinc/43/96/69/569439669.db2.gz	DBETYSVULBSNSH-QLYXXIJNSA-N	0	0	445.733	6.115	50	30		IKEARN
CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O	ZINC000003064271	569439711	/nfs/dbraw/zinc/43/97/11/569439711.db2.gz	FOLCWDRFXVWUFU-CLCOLTQESA-N	0	0	439.726	5.487	50	30		IKEARN
COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Br)c4)nc3c2)cc1	ZINC000003079744	569439856	/nfs/dbraw/zinc/43/98/56/569439856.db2.gz	RXNMJZFQBSLDQP-ZMOGYAJESA-N	0	0	435.277	5.795	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccccn2)[C@H]1c1ccc(Cl)cc1	ZINC000230211275	569440111	/nfs/dbraw/zinc/44/01/11/569440111.db2.gz	NOASPRHBQUYARN-VXNXHJTFSA-N	0	0	436.902	5.019	50	30		IKEARN
CCOC(=O)c1cc(C#N)c(Sc2cccc(C(F)(F)F)c2)nc1-c1ccccc1	ZINC000003104573	569440252	/nfs/dbraw/zinc/44/02/52/569440252.db2.gz	VYOPDHXBVIFMAH-UHFFFAOYSA-N	0	0	428.435	5.967	50	30		IKEARN
COc1cccc(C(=O)Nc2ccc(Sc3cccc(C(F)(F)F)c3)c(C#N)c2)c1	ZINC000003104542	569440265	/nfs/dbraw/zinc/44/02/65/569440265.db2.gz	HMYZYGHEDAOSLM-UHFFFAOYSA-N	0	0	428.435	5.989	50	30		IKEARN
Cc1ccccc1S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c(Cl)c2)cc1C#N	ZINC000003104532	569440272	/nfs/dbraw/zinc/44/02/72/569440272.db2.gz	CNAPUXNPVDQKDK-UHFFFAOYSA-N	0	0	445.327	5.259	50	30		IKEARN
COc1ccc(Sc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1	ZINC000003104543	569440280	/nfs/dbraw/zinc/44/02/80/569440280.db2.gz	WGHLTQBJSFIOFC-UHFFFAOYSA-N	0	0	429.328	6.277	50	30		IKEARN
O=P1(N=C(c2ccccc2)c2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1	ZINC000003168565	569441149	/nfs/dbraw/zinc/44/11/49/569441149.db2.gz	PAVIJMZOGJQURT-UHFFFAOYSA-N	0	0	447.474	7.830	50	30		IKEARN
CCCC[C@H](CC)Cn1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccc(F)cc1	ZINC000003169273	569441155	/nfs/dbraw/zinc/44/11/55/569441155.db2.gz	USCHVSWARHJZMV-KRWDZBQOSA-N	0	0	443.526	6.064	50	30		IKEARN
O=C(Nc1ccc(OC(F)F)cc1)c1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	ZINC000003171736	569441179	/nfs/dbraw/zinc/44/11/79/569441179.db2.gz	CKFCGVWAOXBROO-CQSZACIVSA-N	0	0	429.263	5.412	50	30		IKEARN
FC(F)(F)C(F)(F)C(F)(F)Sc1ccc(NC(=S)NC[C@@H]2CCCO2)cc1	ZINC000003177507	569441257	/nfs/dbraw/zinc/44/12/57/569441257.db2.gz	NCRXMKZGGATECI-JTQLQIEISA-N	0	0	436.418	5.035	50	30		IKEARN
C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)sc2C1	ZINC000003187545	569441381	/nfs/dbraw/zinc/44/13/81/569441381.db2.gz	IHTOWHBDBBZZOW-OAHLLOKOSA-N	0	0	436.964	6.229	50	30		IKEARN
Fc1ccc(NC(=S)Nc2ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc2)cc1	ZINC000003191464	569441526	/nfs/dbraw/zinc/44/15/26/569441526.db2.gz	WVYFADMSFVNOTR-UHFFFAOYSA-N	0	0	446.388	6.517	50	30		IKEARN
CC(C)Oc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003201990	569441607	/nfs/dbraw/zinc/44/16/07/569441607.db2.gz	DJWVIWYZUSMVKQ-UHFFFAOYSA-N	0	0	446.510	6.959	50	30		IKEARN
O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc2ccccc2o1	ZINC000003219115	569441939	/nfs/dbraw/zinc/44/19/39/569441939.db2.gz	QHMHFCVYDZWXGM-BJKOFHAPSA-N	0	0	449.300	6.097	50	30	biogenic	IKEARN
CCCCCCn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1	ZINC000003224101	569442082	/nfs/dbraw/zinc/44/20/82/569442082.db2.gz	CPDCAGFQRAIFNC-UHFFFAOYSA-N	0	0	438.984	6.025	50	30		IKEARN
CSc1ccc(Cl)c(C(=O)ONC(=O)c2sc3cc(F)ccc3c2Cl)c1	ZINC000003229610	569442268	/nfs/dbraw/zinc/44/22/68/569442268.db2.gz	AQZFTMMCSHXSPD-UHFFFAOYSA-N	0	0	430.309	5.571	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)c1ccc(OC(F)F)cc1	ZINC000003240438	569442587	/nfs/dbraw/zinc/44/25/87/569442587.db2.gz	OEZSSOPSVBXHFL-UHFFFAOYSA-N	0	0	439.439	5.351	50	30		IKEARN
Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1F)C1C(=O)c3ccccc3C1=N2	ZINC000003257876	569443138	/nfs/dbraw/zinc/44/31/38/569443138.db2.gz	RTHZACLUPASDJR-JOCHJYFZSA-N	0	0	425.438	5.624	50	30		IKEARN
N#Cc1ccc(NC(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	ZINC000003276378	569443739	/nfs/dbraw/zinc/44/37/39/569443739.db2.gz	UOYOFCZIUIHZFB-UHFFFAOYSA-N	0	0	436.920	5.299	50	30		IKEARN
N#Cc1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c32)CCC4)cc1	ZINC000003284384	569444010	/nfs/dbraw/zinc/44/40/10/569444010.db2.gz	KZGKJOBQSVPIEE-UHFFFAOYSA-N	0	0	449.988	6.790	50	30		IKEARN
N#Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc21	ZINC000003292497	569444471	/nfs/dbraw/zinc/44/44/71/569444471.db2.gz	OOCUOZDGTOKSNN-UHFFFAOYSA-N	0	0	447.903	5.284	50	30		IKEARN
C=C(C)CSc1nnc(-c2ccc(Br)cc2)n1-c1ccc(OCC)cc1	ZINC000003298077	569444843	/nfs/dbraw/zinc/44/48/43/569444843.db2.gz	KYJULACEZMKUHU-UHFFFAOYSA-N	0	0	430.371	5.764	50	30		IKEARN
CCc1ccc(NC(=O)C(C#N)(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2)cc1	ZINC000003298806	569444895	/nfs/dbraw/zinc/44/48/95/569444895.db2.gz	QNTNCAPULDBWSN-UHFFFAOYSA-N	0	0	437.370	6.490	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1cc(C)c(C)cc1C	ZINC000003299521	569444914	/nfs/dbraw/zinc/44/49/14/569444914.db2.gz	MQKJAFXEVOQAKW-UHFFFAOYSA-N	0	0	441.984	5.597	50	30		IKEARN
COc1ccc(OC)c(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccc(C)cc2)c1	ZINC000003321856	569446028	/nfs/dbraw/zinc/44/60/28/569446028.db2.gz	SPLVCGAWDKVIEL-UHFFFAOYSA-N	0	0	442.544	5.424	50	30		IKEARN
Cc1cc(-c2csc(NC(=O)c3ccc(C#N)cc3)n2)c(C)n1-c1ccc2c(c1)OCO2	ZINC000003323904	569446102	/nfs/dbraw/zinc/44/61/02/569446102.db2.gz	UEGMGOPTKBCILK-UHFFFAOYSA-N	0	0	442.500	5.070	50	30		IKEARN
N#Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc32)c1	ZINC000003360366	569447848	/nfs/dbraw/zinc/44/78/48/569447848.db2.gz	BTMFXRUJRXXGFY-UHFFFAOYSA-N	0	0	447.903	5.284	50	30		IKEARN
CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1	ZINC000003364228	569447890	/nfs/dbraw/zinc/44/78/90/569447890.db2.gz	OQZPFRLYBJVEEF-UHFFFAOYSA-N	0	0	428.561	6.048	50	30		IKEARN
CC(C)[C@H](C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1)c1ccc(Cl)cc1	ZINC000003419632	569450027	/nfs/dbraw/zinc/45/00/27/569450027.db2.gz	MWBYKHRHSIVOPB-SFHVURJKSA-N	0	0	442.997	5.734	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)s1	ZINC000003412735	569450181	/nfs/dbraw/zinc/45/01/81/569450181.db2.gz	DPRXFBGXUAFXHV-UHFFFAOYSA-N	0	0	440.377	5.386	50	30		IKEARN
C=CCN(C(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	ZINC000003431179	569450822	/nfs/dbraw/zinc/45/08/22/569450822.db2.gz	QZXZHNAZUACNGW-UHFFFAOYSA-N	0	0	429.885	5.213	50	30		IKEARN
COc1cc([C@@H]2Nc3cc(Cl)ccc3-c3ccnn32)ccc1OCc1ccccc1C#N	ZINC000030952914	569451613	/nfs/dbraw/zinc/45/16/13/569451613.db2.gz	DPTQZUSDFNKGFM-RUZDIDTESA-N	0	0	442.906	5.635	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2	ZINC000003462383	569451903	/nfs/dbraw/zinc/45/19/03/569451903.db2.gz	NOAWEEYYENTJKQ-UHFFFAOYSA-N	0	0	432.504	6.173	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2C)c1	ZINC000003481421	569452332	/nfs/dbraw/zinc/45/23/32/569452332.db2.gz	AXBDESUSFNEMOH-UHFFFAOYSA-N	0	0	440.952	5.282	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccnc5ccccc53)CC(=O)O4)C2=O)cc1	ZINC000217759562	569452824	/nfs/dbraw/zinc/45/28/24/569452824.db2.gz	XHQWTGPOCVGBEE-ZPZBNPFISA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
CCCCCCCCOc1ccc(/C=C2\N=C(c3cccc4ccccc43)OC2=O)cc1	ZINC000003584539	569454438	/nfs/dbraw/zinc/45/44/38/569454438.db2.gz	DCBYIRUBXMRJLX-QOMWVZHYSA-N	0	0	427.544	6.924	50	30		IKEARN
CCc1cccc(CC)c1NC(=S)N/N=C/c1cccn1Cc1ccc(F)cc1Cl	ZINC000003587583	569454509	/nfs/dbraw/zinc/45/45/09/569454509.db2.gz	XTKFNARCIPOJRZ-VULFUBBASA-N	0	0	442.991	5.774	50	30		IKEARN
CCCCCCCCOc1ccc([C@H]2CC(=O)Oc3ccc4c(c32)OC(=C(C)C)C4=O)cc1	ZINC000217910963	569454775	/nfs/dbraw/zinc/45/47/75/569454775.db2.gz	OSGKGPMIZSAPTI-JOCHJYFZSA-N	0	0	448.559	6.736	50	30	biogenic	IKEARN
COc1cc(CN=Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1Cl	ZINC000003960924	569457221	/nfs/dbraw/zinc/45/72/21/569457221.db2.gz	SOSZFTSUIHOAQS-UHFFFAOYSA-N	0	0	429.929	5.341	50	30		IKEARN
CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OCC	ZINC000031783816	569457391	/nfs/dbraw/zinc/45/73/91/569457391.db2.gz	WMWORFKLJIAQSB-KSEXSDGBSA-N	0	0	436.364	6.360	50	30		IKEARN
COCc1cc(C)nc(N=NCc2ccccc2OCc2cccc3ccccc32)c1C#N	ZINC000031839375	569458105	/nfs/dbraw/zinc/45/81/05/569458105.db2.gz	ZQJUMGUSGGAEAG-MWLSYYOVSA-N	0	0	436.515	5.586	50	30		IKEARN
CC(C)(C)c1cc(-c2ccccc2)c(C#N)c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000004045651	569458383	/nfs/dbraw/zinc/45/83/83/569458383.db2.gz	RBAMBOLZZZFSQB-UHFFFAOYSA-N	0	0	446.532	5.557	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1C1CCCCC1	ZINC000004065377	569458549	/nfs/dbraw/zinc/45/85/49/569458549.db2.gz	YKANPUHHWKGAIN-QDJRPKQISA-N	0	0	435.618	6.302	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1	ZINC000004074962	569458642	/nfs/dbraw/zinc/45/86/42/569458642.db2.gz	NSTOXWAGNZTKNY-BCHFMIIMSA-N	0	0	427.479	5.141	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)cc1	ZINC000004083705	569458679	/nfs/dbraw/zinc/45/86/79/569458679.db2.gz	YVQQMXWUYNEEDA-SLJQUXCSSA-N	0	0	443.597	6.482	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)c(F)c1F	ZINC000004082556	569458688	/nfs/dbraw/zinc/45/86/88/569458688.db2.gz	VACROBMNCOYMIF-GESPGMLMSA-N	0	0	449.810	6.485	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2cccc(C)c2)c1	ZINC000004083703	569458709	/nfs/dbraw/zinc/45/87/09/569458709.db2.gz	MNLZCVCLBDWVQU-SLJQUXCSSA-N	0	0	443.597	6.482	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccc(Cl)cc4N3C)C(=O)N2C)cc1Cl	ZINC000004107817	569459098	/nfs/dbraw/zinc/45/90/98/569459098.db2.gz	IDJDDALRJPOVCS-ZTWBIXGRSA-N	0	0	436.389	5.906	50	30		IKEARN
O=C(N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1)c1ccc(Cl)cc1	ZINC000066437605	569462123	/nfs/dbraw/zinc/46/21/23/569462123.db2.gz	PGKTZHKRPLXBBA-UHFFFAOYSA-N	0	0	434.902	5.401	50	30		IKEARN
CCOc1ccccc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12	ZINC000066437724	569462165	/nfs/dbraw/zinc/46/21/65/569462165.db2.gz	IEXSYUPJWJNYJB-UHFFFAOYSA-N	0	0	426.520	5.007	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12	ZINC000066437730	569462173	/nfs/dbraw/zinc/46/21/73/569462173.db2.gz	JDLKHMGNZHLFDF-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437772	569462184	/nfs/dbraw/zinc/46/21/84/569462184.db2.gz	NTEROUPCKCNLMQ-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
COc1cccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)c1	ZINC000066437794	569462198	/nfs/dbraw/zinc/46/21/98/569462198.db2.gz	SGIKILDACHZMNP-UHFFFAOYSA-N	0	0	440.547	5.234	50	30	biogenic	IKEARN
CCOc1ccccc1NC(=NC(=O)c1cccc(C)c1)NCCc1c[nH]c2ccccc12	ZINC000066437720	569462206	/nfs/dbraw/zinc/46/22/06/569462206.db2.gz	WUGSPQCAFAMBMD-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N/c3cc(C)cc(C)c3)NC2=O)cc(Br)c1O	ZINC000008445234	569464787	/nfs/dbraw/zinc/46/47/87/569464787.db2.gz	LUGCRIGVRZXROD-LICLKQGHSA-N	0	0	447.354	5.062	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O	ZINC000008450423	569464883	/nfs/dbraw/zinc/46/48/83/569464883.db2.gz	HGAINDXZJVTMOM-JJIBRWJFSA-N	0	0	425.484	5.143	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\Cc1ccccc1	ZINC000008628259	569469475	/nfs/dbraw/zinc/46/94/75/569469475.db2.gz	PBFNGFZVZGQPST-ZMPCKTLKSA-N	0	0	439.606	5.338	50	30		IKEARN
O=c1c(C=[NH+]Cc2ccc(Cl)cc2)c(C(F)(F)F)[n-]n1-c1nc2ccccc2s1	ZINC000008694283	569470030	/nfs/dbraw/zinc/47/00/30/569470030.db2.gz	SMFUSADQVLGPBX-YSURURNPSA-N	0	0	436.846	5.479	50	30		IKEARN
CC(=O)Nc1ccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)cc1	ZINC000008695571	569470244	/nfs/dbraw/zinc/47/02/44/569470244.db2.gz	SIVPLDBDHPGEHH-UHFFFAOYSA-N	0	0	426.973	5.426	50	30		IKEARN
C#CCOc1ccc(/C=C2/C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC	ZINC000008722487	569471825	/nfs/dbraw/zinc/47/18/25/569471825.db2.gz	IBBXSOAAYSHZEW-DJKKODMXSA-N	0	0	429.303	5.210	50	30		IKEARN
COc1ccc(OCc2nnc(SCc3ccccc3C#N)n2-c2ccccc2F)cc1	ZINC000008728063	569472432	/nfs/dbraw/zinc/47/24/32/569472432.db2.gz	INXLMEHIVIGMTN-UHFFFAOYSA-N	0	0	446.507	5.158	50	30		IKEARN
C/C(=N\OCc1ccc(Cl)cc1)c1cn(-c2ncc(C(F)(F)F)cc2Cl)c(C)n1	ZINC000008733650	569472514	/nfs/dbraw/zinc/47/25/14/569472514.db2.gz	QBMZJWBFVTWLAJ-LUOAPIJWSA-N	0	0	443.256	5.842	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)sc2c1	ZINC000008741057	569472968	/nfs/dbraw/zinc/47/29/68/569472968.db2.gz	WJEPMNBLTRWJAB-OAQYLSRUSA-N	0	0	444.512	5.543	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008744027	569473033	/nfs/dbraw/zinc/47/30/33/569473033.db2.gz	LOTPWLREWPFQNY-NRFANRHFSA-N	0	0	436.895	5.543	50	30		IKEARN
C=CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1OC	ZINC000008753945	569473833	/nfs/dbraw/zinc/47/38/33/569473833.db2.gz	KMTITJPHGVZHBT-UHFFFAOYSA-N	0	0	438.940	5.740	50	30		IKEARN
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c(C#N)c1NC(=O)c1cccc(C(F)(F)F)c1	ZINC000008762219	569474284	/nfs/dbraw/zinc/47/42/84/569474284.db2.gz	RVMWBEYISGSFPX-UHFFFAOYSA-N	0	0	446.860	6.101	50	30		IKEARN
FC(F)(F)c1cnc(C(=NNc2ccc(Cl)cc2Cl)c2cccnc2)c(Cl)c1	ZINC000008762788	569474356	/nfs/dbraw/zinc/47/43/56/569474356.db2.gz	SWDOARVFIHAZIE-NTFVMDSBSA-N	0	0	445.659	6.320	50	30		IKEARN
CC(=O)[C@H](/C=N/OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl	ZINC000008781451	569475645	/nfs/dbraw/zinc/47/56/45/569475645.db2.gz	TXCHEWSILUXDLK-GRLVRZOXSA-N	0	0	448.133	5.647	50	30		IKEARN
COc1ccc([S@](=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2C#N)cc1	ZINC000008781514	569475663	/nfs/dbraw/zinc/47/56/63/569475663.db2.gz	NULPBHCJUKOVDF-GDLZYMKVSA-N	0	0	445.327	5.293	50	30		IKEARN
CC(N=Nc1ncc(C(F)(F)F)cc1Cl)c1ccc2noc(-c3ccc(F)cc3)c2c1	ZINC000008781658	569475719	/nfs/dbraw/zinc/47/57/19/569475719.db2.gz	WKWJIWMHZHPNDB-IPBVOBEMSA-N	0	0	448.807	6.537	50	30		IKEARN
COc1ccc(C(=O)C=CNc2cccn3c(-c4ccc(Cl)c(Cl)c4)cnc23)cc1	ZINC000008782002	569475753	/nfs/dbraw/zinc/47/57/53/569475753.db2.gz	GAJMCBGUOCFKJN-ZHACJKMWSA-N	0	0	438.314	6.125	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2c(F)cccc2Cl)C3)cc1	ZINC000008781990	569475772	/nfs/dbraw/zinc/47/57/72/569475772.db2.gz	IQUCGUDURTXEDY-AKJBCIBTSA-N	0	0	448.925	6.467	50	30		IKEARN
O=C(O/N=C/c1c(-c2ccc(Cl)cc2)nc2sc3c(n12)CCCC3)c1cccs1	ZINC000008782216	569475782	/nfs/dbraw/zinc/47/57/82/569475782.db2.gz	SYIZLNNGWLYBJQ-FSJBWODESA-N	0	0	441.965	5.847	50	30		IKEARN
COc1ccc(-n2c(-c3ccccc3)cc3c2CCC/C3=N/OCc2ccc(C)cc2)cc1	ZINC000008782232	569475820	/nfs/dbraw/zinc/47/58/20/569475820.db2.gz	MYUQZFOFORBPRB-IKPAITLHSA-N	0	0	436.555	6.719	50	30		IKEARN
CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1ccccc1Cl	ZINC000008798216	569476390	/nfs/dbraw/zinc/47/63/90/569476390.db2.gz	CINJYHIQHFAGBX-MFKUBSTISA-N	0	0	439.968	5.638	50	30		IKEARN
COc1cccc(CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)c1	ZINC000008809683	569476518	/nfs/dbraw/zinc/47/65/18/569476518.db2.gz	MEHXWZDGGSFZHP-UHFFFAOYSA-N	0	0	426.516	6.727	50	30		IKEARN
CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C#N	ZINC000008809561	569476526	/nfs/dbraw/zinc/47/65/26/569476526.db2.gz	BXQMOROUHQKCHM-UHFFFAOYSA-N	0	0	440.521	5.102	50	30		IKEARN
N#Cc1c(SCC(=O)OCc2ccccc2)nc(-c2cccs2)cc1-c1cccs1	ZINC000008809575	569476533	/nfs/dbraw/zinc/47/65/33/569476533.db2.gz	KWCNYNOJFMCELE-UHFFFAOYSA-N	0	0	448.594	6.246	50	30		IKEARN
N#Cc1c(-c2ccc(F)cc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1	ZINC000008809655	569476550	/nfs/dbraw/zinc/47/65/50/569476550.db2.gz	TVZGYDFNXIIQQR-UHFFFAOYSA-N	0	0	430.935	7.372	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2	ZINC000008809791	569476567	/nfs/dbraw/zinc/47/65/67/569476567.db2.gz	CWPKVJRKDYJFFN-FNOMLQJYSA-N	0	0	433.382	7.879	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2	ZINC000008809789	569476616	/nfs/dbraw/zinc/47/66/16/569476616.db2.gz	CWPKVJRKDYJFFN-CQVHFZKNSA-N	0	0	433.382	7.879	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3c(cc(C)cc3C)s2)cc1	ZINC000008818140	569476909	/nfs/dbraw/zinc/47/69/09/569476909.db2.gz	BDFYXGMBRLNPGT-NRFANRHFSA-N	0	0	444.512	5.597	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008818183	569476918	/nfs/dbraw/zinc/47/69/18/569476918.db2.gz	UGRMMBSACGWDRF-FQEVSTJZSA-N	0	0	446.553	5.758	50	30		IKEARN
Clc1ccc(-c2cn3c(-c4ccccc4)cn(/N=C/c4ccccc4)c3n2)c(Cl)c1	ZINC000008817757	569476943	/nfs/dbraw/zinc/47/69/43/569476943.db2.gz	OCLBNJZFPSBELH-MZJWZYIUSA-N	0	0	431.326	6.659	50	30		IKEARN
O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1cccc(Br)c1	ZINC000008821155	569477122	/nfs/dbraw/zinc/47/71/22/569477122.db2.gz	XDVQKYZJCLHCDN-ZROIWOOFSA-N	0	0	438.144	5.103	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000008827770	569477671	/nfs/dbraw/zinc/47/76/71/569477671.db2.gz	QNGNYPBBHGLZCA-QHCPKHFHSA-N	0	0	442.471	5.636	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccc(C(C)C)cc2)no1	ZINC000008827769	569477692	/nfs/dbraw/zinc/47/76/92/569477692.db2.gz	QNGNYPBBHGLZCA-HSZRJFAPSA-N	0	0	442.471	5.636	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)nc2c(C)c1	ZINC000008838239	569478228	/nfs/dbraw/zinc/47/82/28/569478228.db2.gz	AADBBVACNBZLQY-HXUWFJFHSA-N	0	0	446.553	5.758	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000008838240	569478328	/nfs/dbraw/zinc/47/83/28/569478328.db2.gz	AADBBVACNBZLQY-FQEVSTJZSA-N	0	0	446.553	5.758	50	30		IKEARN
CC(C)(C)c1cc(C(F)(F)F)c(C#N)c(SCCCC(=O)Nc2nccs2)n1	ZINC000008843587	569478480	/nfs/dbraw/zinc/47/84/80/569478480.db2.gz	GYLIGCPBEYGJTO-UHFFFAOYSA-N	0	0	428.505	5.237	50	30		IKEARN
O=C(C1=C(Nc2ccccc2)C(=O)N(c2ccccc2)[C@@H]1c1ccccc1F)c1ccccc1	ZINC000008854667	569479594	/nfs/dbraw/zinc/47/95/94/569479594.db2.gz	MWXOYKBNFIYWBT-HHHXNRCGSA-N	0	0	448.497	6.163	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1	ZINC000008854690	569479603	/nfs/dbraw/zinc/47/96/03/569479603.db2.gz	WJQZBUOPUBDDJG-NRFANRHFSA-N	0	0	437.417	5.797	50	30		IKEARN
Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2ccc(Cl)c(Cl)c2)cc1	ZINC000008855339	569479680	/nfs/dbraw/zinc/47/96/80/569479680.db2.gz	RNXAVYFUIGQJQB-FOKLQQMPSA-N	0	0	448.400	6.713	50	30		IKEARN
Cc1ccc(Sc2nc3sccn3c2/C=N/OCc2c(Cl)cccc2Cl)cc1	ZINC000008855340	569479685	/nfs/dbraw/zinc/47/96/85/569479685.db2.gz	XXGHVJNHWSDZDP-FOKLQQMPSA-N	0	0	448.400	6.713	50	30		IKEARN
COc1ccc(/C=N/n2cc(-c3ccccc3)nc2/N=C/c2cc(Cl)ccc2O)cc1	ZINC000008856875	569479811	/nfs/dbraw/zinc/47/98/11/569479811.db2.gz	FQKVTLUOWPIQIL-BOHSUASASA-N	0	0	430.895	5.551	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C/c2ccc(OC)c(OC)c2)c2nc3ccccc3o2)cc1	ZINC000008859258	569479826	/nfs/dbraw/zinc/47/98/26/569479826.db2.gz	CMVDREQNMYIPNJ-QGKGSZSTSA-N	0	0	441.483	6.181	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCCOc2ccccc2C)SC1=S	ZINC000008872402	569480939	/nfs/dbraw/zinc/48/09/39/569480939.db2.gz	HTRUGMNHSWVHQG-ZHZULCJRSA-N	0	0	445.993	5.493	50	30		IKEARN
C=C(C)COc1ccc2c(C)c(CCC(=O)Nc3cccc4ncccc43)c(=O)oc2c1	ZINC000008879630	569481379	/nfs/dbraw/zinc/48/13/79/569481379.db2.gz	WHBWCIFZCYWVNJ-UHFFFAOYSA-N	0	0	428.488	5.176	50	30	biogenic	IKEARN
N#Cc1nc(-c2ccc(COc3ccc4ccccc4c3)o2)oc1NCc1ccc(F)cc1	ZINC000039404148	569481541	/nfs/dbraw/zinc/48/15/41/569481541.db2.gz	WQVOQPMIGSBIIP-UHFFFAOYSA-N	0	0	439.446	6.290	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1	ZINC000008883652	569483070	/nfs/dbraw/zinc/48/30/70/569483070.db2.gz	HDDGRPHOCACWHU-JOCHJYFZSA-N	0	0	436.920	5.227	50	30		IKEARN
COc1ccc(C(=O)/C(=C\c2cc(OC)c(OC)cc2OC)c2nc3ccccc3o2)cc1	ZINC000008915585	569485559	/nfs/dbraw/zinc/48/55/59/569485559.db2.gz	TYQQTMYXCXESNK-CPNJWEJPSA-N	0	0	445.471	5.286	50	30	biogenic	IKEARN
COc1cccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)c1OC	ZINC000008915592	569485560	/nfs/dbraw/zinc/48/55/60/569485560.db2.gz	NBPKBJDLMJFYBF-LTGZKZEYSA-N	0	0	443.499	6.056	50	30	biogenic	IKEARN
CCOc1ccc(C(=O)/C(=C/c2ccc(O)c(OC)c2)c2nc3ccccc3s2)cc1	ZINC000008915653	569485586	/nfs/dbraw/zinc/48/55/86/569485586.db2.gz	USEKHNLHXVKRKA-RGEXLXHISA-N	0	0	431.513	5.833	50	30		IKEARN
COc1ccc(/C=C(\C(=O)c2ccc(OC(C)C)cc2)c2nc3ccccc3o2)cc1OC	ZINC000008915589	569485590	/nfs/dbraw/zinc/48/55/90/569485590.db2.gz	CZRLFMHIINUUNG-RCCKNPSSSA-N	0	0	443.499	6.056	50	30	biogenic	IKEARN
COc1ccc(C(=O)COc2ccc3c(c2)OC(=CC=Cc2ccccc2OC)C3=O)cc1	ZINC000008917906	569486155	/nfs/dbraw/zinc/48/61/55/569486155.db2.gz	KOFWIWVSKFDSOD-ZGNHWWDDSA-N	0	0	442.467	5.138	50	30	biogenic	IKEARN
Cc1ccccc1CN1c2ccc(Cl)cc2[C@@](O)(CC(=O)C=Cc2ccccc2)C1=O	ZINC000008922599	569486915	/nfs/dbraw/zinc/48/69/15/569486915.db2.gz	VBOAJZKGULBSLR-PUHSMXRQSA-N	0	0	431.919	5.055	50	30		IKEARN
O=C(/C=C/c1ccccc1F)c1cc(Cl)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000008922961	569486985	/nfs/dbraw/zinc/48/69/85/569486985.db2.gz	NGXFDLQYGCTPAN-CSKARUKUSA-N	0	0	425.799	5.503	50	30		IKEARN
COCc1cc(C)nc(N=NCc2cccc(OCc3cccc4ccccc43)c2)c1C#N	ZINC000008925965	569487171	/nfs/dbraw/zinc/48/71/71/569487171.db2.gz	NBHYDOIPYNPOQZ-MUFRIFMGSA-N	0	0	436.515	5.586	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccc(F)c1	ZINC000008926462	569487324	/nfs/dbraw/zinc/48/73/24/569487324.db2.gz	YBPJLLRZEYXKSF-GVAUOCQISA-N	0	0	437.449	5.249	50	30		IKEARN
Cc1ccc(NC=C2SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1Cl	ZINC000008927949	569487363	/nfs/dbraw/zinc/48/73/63/569487363.db2.gz	RYOWGNWBHJOJCO-RIUOVIGVSA-N	0	0	425.863	5.813	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3[C@@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1	ZINC000008927843	569487404	/nfs/dbraw/zinc/48/74/04/569487404.db2.gz	PSFVPAFHAATMEL-YUXPEDDTSA-N	0	0	437.539	5.267	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ncccc4N32)c(C)c1	ZINC000008934219	569487898	/nfs/dbraw/zinc/48/78/98/569487898.db2.gz	HJULPICYDRMERV-ZNZIZOMTSA-N	0	0	448.501	5.122	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)[C@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1	ZINC000040140471	569491599	/nfs/dbraw/zinc/49/15/99/569491599.db2.gz	QZLAYNKWUAXCBM-KBPBESRZSA-N	0	0	426.489	5.009	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)n1	ZINC000008966204	569491703	/nfs/dbraw/zinc/49/17/03/569491703.db2.gz	YQRVXKVREOLRIN-KRWDZBQOSA-N	0	0	438.603	5.163	50	30		IKEARN
CC(=O)N(c1nc(CSc2ccc(C#N)cc2)cs1)c1c(C)cc(C)cc1Cl	ZINC000040150609	569493165	/nfs/dbraw/zinc/49/31/65/569493165.db2.gz	YCRBMWHQRFHBTL-UHFFFAOYSA-N	0	0	427.982	6.262	50	30		IKEARN
N#Cc1c(SCc2cc3c(cc2Cl)OCO3)nc(-c2cccs2)c2c1CCCC2	ZINC000008986368	569494843	/nfs/dbraw/zinc/49/48/43/569494843.db2.gz	ONRCGBYYULMFDF-UHFFFAOYSA-N	0	0	440.977	6.235	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccc(F)cc4)ccc3C2=O)c2ccccc21	ZINC000008990182	569495022	/nfs/dbraw/zinc/49/50/22/569495022.db2.gz	QOXRAPBNUSXXMI-ZMOGYAJESA-N	0	0	427.431	5.636	50	30		IKEARN
O=C1c2ccc(OCc3ccccc3F)cc2O/C1=C\c1cc(Cl)cc2c1OCOC2	ZINC000008992355	569495344	/nfs/dbraw/zinc/49/53/44/569495344.db2.gz	OJVRAVBIALOSCX-AFPJDJCSSA-N	0	0	438.838	5.541	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)C4CCCCC4)c3C)C2=O)c2ccccc21	ZINC000008992632	569495347	/nfs/dbraw/zinc/49/53/47/569495347.db2.gz	WEPLECKNKAQADG-BUVRLJJBSA-N	0	0	429.516	6.072	50	30		IKEARN
CCc1ccc(/C=C2\Oc3cc(OS(=O)(=O)c4ccc(Cl)cc4)ccc3C2=O)cc1	ZINC000008992511	569495350	/nfs/dbraw/zinc/49/53/50/569495350.db2.gz	HFXKAEFQUZNBRX-XKZIYDEJSA-N	0	0	440.904	5.286	50	30		IKEARN
O=[N+]([O-])c1cccc(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c1	ZINC000008994319	569495527	/nfs/dbraw/zinc/49/55/27/569495527.db2.gz	VMSSRFACACSPJK-CNXRAYQQSA-N	0	0	446.510	6.701	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000009014522	569496706	/nfs/dbraw/zinc/49/67/06/569496706.db2.gz	PRLQUNVZZGGPIB-LXGWOEDASA-N	0	0	440.455	5.086	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000009019403	569496932	/nfs/dbraw/zinc/49/69/32/569496932.db2.gz	WPKZLRUQCYVOOI-HSZRJFAPSA-N	0	0	445.515	5.364	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000009019810	569496935	/nfs/dbraw/zinc/49/69/35/569496935.db2.gz	CELIVHCDEHZDQM-WCQPBMKCSA-N	0	0	431.561	5.483	50	30		IKEARN
COc1ccc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)nc3ccccc32)cc1OC	ZINC000009034290	569497250	/nfs/dbraw/zinc/49/72/50/569497250.db2.gz	KFKHHCFYGCYMBX-RWPZCVJISA-N	0	0	432.911	5.804	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1	ZINC000009041808	569497576	/nfs/dbraw/zinc/49/75/76/569497576.db2.gz	JSFKICSOFRAUDZ-LJQANCHMSA-N	0	0	432.526	5.449	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009046298	569498360	/nfs/dbraw/zinc/49/83/60/569498360.db2.gz	QQLVHETVPXWTBX-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C	ZINC000009056305	569499044	/nfs/dbraw/zinc/49/90/44/569499044.db2.gz	ZAYXJLNNWRFYMX-UHFFFAOYSA-N	0	0	446.532	5.556	50	30		IKEARN
COc1ccc(/C=N/N(C)c2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1	ZINC000009057630	569499171	/nfs/dbraw/zinc/49/91/71/569499171.db2.gz	IPQGTILFYCMMCZ-PCLIKHOPSA-N	0	0	431.586	6.440	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N1CCc3cc4c(cc3C1=C[C@@H]2c1ccc(F)cc1)OCCCO4	ZINC000009058675	569499296	/nfs/dbraw/zinc/49/92/96/569499296.db2.gz	NVTWLRKJNSNUFL-OAQYLSRUSA-N	0	0	445.534	5.627	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1	ZINC000245228661	569499928	/nfs/dbraw/zinc/49/99/28/569499928.db2.gz	BKFIBDWKIPCPQA-QQIAEXKYSA-N	0	0	441.597	5.755	50	30		IKEARN
CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccc(F)c1	ZINC000009067571	569499998	/nfs/dbraw/zinc/49/99/98/569499998.db2.gz	GGXZFQFEPIKPTM-PIIWDFAUSA-N	0	0	440.518	6.136	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)cc1	ZINC000009070517	569500090	/nfs/dbraw/zinc/50/00/90/569500090.db2.gz	WOTSSRIGUXFNKR-ILBGXUMGSA-N	0	0	427.460	5.402	50	30		IKEARN
O=C(Nc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(F)cc2)/C(=N/c2ccccc2)S1	ZINC000009076082	569500321	/nfs/dbraw/zinc/50/03/21/569500321.db2.gz	XZVFPPHQPOQPAP-AOKXBXCXSA-N	0	0	447.535	5.029	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Br)cc1	ZINC000009086065	569500614	/nfs/dbraw/zinc/50/06/14/569500614.db2.gz	KRMWPKMMWHBYRD-GOSISDBHSA-N	0	0	448.744	5.481	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)cc1	ZINC000009087292	569500860	/nfs/dbraw/zinc/50/08/60/569500860.db2.gz	RIZHIWRNUHMCIA-HSZRJFAPSA-N	0	0	447.918	5.830	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000245242064	569501138	/nfs/dbraw/zinc/50/11/38/569501138.db2.gz	YGBQOUNQDOEMKJ-JMWKZEAVSA-N	0	0	445.430	6.880	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000245241928	569501165	/nfs/dbraw/zinc/50/11/65/569501165.db2.gz	UELTYJDTQILMTO-ZXLQENMISA-N	0	0	446.553	6.671	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O	ZINC000245242065	569501189	/nfs/dbraw/zinc/50/11/89/569501189.db2.gz	YGBQOUNQDOEMKJ-NDKAXUMMSA-N	0	0	445.430	6.880	50	30		IKEARN
C[C@H]1C/C(=C\c2ccc(Br)o2)C(=O)/C(=C\c2ccc(Br)o2)C1	ZINC000245294809	569502410	/nfs/dbraw/zinc/50/24/10/569502410.db2.gz	APRXJXKHNDDTQQ-WTMOMKECSA-N	0	0	426.104	5.864	50	30		IKEARN
CCN(/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccccc1)CC	ZINC000009113030	569502505	/nfs/dbraw/zinc/50/25/05/569502505.db2.gz	GPRNCHXGVFFGEO-DFKUXCBWSA-N	0	0	432.571	6.744	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccc(C)cc2)sc1C	ZINC000009123674	569504205	/nfs/dbraw/zinc/50/42/05/569504205.db2.gz	IPXNMDZBBAOBAZ-IBGZPJMESA-N	0	0	438.936	5.505	50	30		IKEARN
C[C@@H](c1nnc(SCc2ccc(C#N)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1	ZINC000009125599	569504713	/nfs/dbraw/zinc/50/47/13/569504713.db2.gz	DRMHMHGWBDFNDR-KRWDZBQOSA-N	0	0	438.000	5.632	50	30		IKEARN
COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCCCOc1ccccc1C	ZINC000009144658	569507345	/nfs/dbraw/zinc/50/73/45/569507345.db2.gz	DMCHLOMNJQQCDA-KOEQRZSOSA-N	0	0	435.480	5.206	50	30		IKEARN
C=CCN(C(=O)Cn1c(SCc2ccccc2F)nc2cccnc21)c1ccccc1	ZINC000009153290	569508105	/nfs/dbraw/zinc/50/81/05/569508105.db2.gz	VBGDNWXAOIDLPK-UHFFFAOYSA-N	0	0	432.524	5.082	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1	ZINC000009186582	569510249	/nfs/dbraw/zinc/51/02/49/569510249.db2.gz	RITAFLIKEAQDTQ-XTEPFMGCSA-N	0	0	438.571	6.791	50	30		IKEARN
Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C#N)cc4F)ccc3o2)c1	ZINC000009189832	569510505	/nfs/dbraw/zinc/51/05/05/569510505.db2.gz	ZBPHXUACVVEIAQ-UHFFFAOYSA-N	0	0	444.491	5.249	50	30		IKEARN
COc1cccc(COc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1	ZINC000009192131	569510678	/nfs/dbraw/zinc/51/06/78/569510678.db2.gz	NIEVCZALFHGUEU-UUYOSTAYSA-N	0	0	427.283	6.197	50	30		IKEARN
Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O	ZINC000009210206	569511596	/nfs/dbraw/zinc/51/15/96/569511596.db2.gz	IPTDFEOIBFRHDS-FBHDLOMBSA-N	0	0	425.267	6.137	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCCC2)c1Cc1ccc(Cl)cc1	ZINC000009210917	569511704	/nfs/dbraw/zinc/51/17/04/569511704.db2.gz	ZXFKVGRLXJWXGU-UHFFFAOYSA-N	0	0	428.967	6.656	50	30		IKEARN
Cc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O	ZINC000009215960	569512096	/nfs/dbraw/zinc/51/20/96/569512096.db2.gz	RECKHXSVEFITCK-MTJSOVHGSA-N	0	0	425.267	6.137	50	30		IKEARN
COc1cc(C(=O)Nc2ccc(C#N)cc2)cc(Br)c1OCc1ccccc1	ZINC000009223981	569513076	/nfs/dbraw/zinc/51/30/76/569513076.db2.gz	CSFIYDJJCXXHQP-UHFFFAOYSA-N	0	0	437.293	5.161	50	30		IKEARN
N#CCCn1c2ccccc2nc1SCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2	ZINC000009224102	569513125	/nfs/dbraw/zinc/51/31/25/569513125.db2.gz	XBCOCJFFDNNMLS-UHFFFAOYSA-N	0	0	448.548	5.112	50	30		IKEARN
CCOc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000009243114	569514756	/nfs/dbraw/zinc/51/47/56/569514756.db2.gz	NXOUPXDCLRTMHD-FLQJWANXSA-N	0	0	443.474	5.407	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Br)cc1	ZINC000009246551	569515416	/nfs/dbraw/zinc/51/54/16/569515416.db2.gz	KQWHDJSPWCHABU-IBGZPJMESA-N	0	0	434.333	5.387	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009271236	569517697	/nfs/dbraw/zinc/51/76/97/569517697.db2.gz	IUOMLGBWBNUDHI-JOCHJYFZSA-N	0	0	440.524	5.696	50	30		IKEARN
CCC[C@@H]1S/C(=N\N=C\c2cccc([N+](=O)[O-])c2)N(Cc2cccc3ccccc32)C1=O	ZINC000009271884	569517814	/nfs/dbraw/zinc/51/78/14/569517814.db2.gz	SPTWKSVDAFDCRZ-MNWLEOAJSA-N	0	0	446.532	5.382	50	30		IKEARN
O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccs1	ZINC000009272080	569517876	/nfs/dbraw/zinc/51/78/76/569517876.db2.gz	ZHQYSJCZMJRFFK-BCHFMIIMSA-N	0	0	440.568	6.059	50	30		IKEARN
COc1ccc2nc(Cl)c(CN=Nc3ncnc4scc(-c5ccccc5)c43)cc2c1	ZINC000009292337	569520023	/nfs/dbraw/zinc/52/00/23/569520023.db2.gz	OPBSSERVLVFHDS-LUOAPIJWSA-N	0	0	445.935	6.015	50	30		IKEARN
C=CCOc1ccc(/C=C2/SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC	ZINC000009295634	569520369	/nfs/dbraw/zinc/52/03/69/569520369.db2.gz	OBYLQELKWCYVSP-KGENOOAVSA-N	0	0	441.574	5.060	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009301908	569520777	/nfs/dbraw/zinc/52/07/77/569520777.db2.gz	JSDYBNDVMQTLCO-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1cccc(OC)c1	ZINC000009307620	569521390	/nfs/dbraw/zinc/52/13/90/569521390.db2.gz	RFMYMQFXECXETJ-UHFFFAOYSA-N	0	0	436.581	5.213	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1	ZINC000009308112	569521440	/nfs/dbraw/zinc/52/14/40/569521440.db2.gz	JSLFILGXJQYXNB-UHFFFAOYSA-N	0	0	437.355	6.405	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCCc3ccccc32)c1	ZINC000009317154	569522357	/nfs/dbraw/zinc/52/23/57/569522357.db2.gz	CZNOAZKYQSRTBM-HSZRJFAPSA-N	0	0	441.556	5.096	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(C(F)(F)F)cc1	ZINC000009348920	569524639	/nfs/dbraw/zinc/52/46/39/569524639.db2.gz	QYLQTRKLPHWKAH-GOSISDBHSA-N	0	0	425.410	5.161	50	30		IKEARN
CCCC/N=C(\C=C1/SN(CC)C(=S)N1c1ccccc1)c1ccc(Cl)cc1	ZINC000009353422	569524933	/nfs/dbraw/zinc/52/49/33/569524933.db2.gz	OPWCBPGPXAQPKY-VCIOACDOSA-N	0	0	430.042	6.546	50	30		IKEARN
N#C[C@@H](Cc1ccccc1)Sc1nnc(COc2ccccc2F)n1-c1ccccc1	ZINC000009353474	569524983	/nfs/dbraw/zinc/52/49/83/569524983.db2.gz	SWDPUKFADHXPSR-HXUWFJFHSA-N	0	0	430.508	5.212	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2ccccc2Br)c1	ZINC000009358282	569525626	/nfs/dbraw/zinc/52/56/26/569525626.db2.gz	VASFOVJRNSHEME-PKNBQFBNSA-N	0	0	443.318	5.635	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009370576	569526767	/nfs/dbraw/zinc/52/67/67/569526767.db2.gz	UDEBWDUBFAUXAA-NRFANRHFSA-N	0	0	448.862	5.340	50	30		IKEARN
Cc1cccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)c1	ZINC000009370832	569526772	/nfs/dbraw/zinc/52/67/72/569526772.db2.gz	JJOJGHBTMVKRMC-BFEXVFPXSA-N	0	0	429.903	5.831	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009370574	569526804	/nfs/dbraw/zinc/52/68/04/569526804.db2.gz	UDEBWDUBFAUXAA-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccc(C)c(Cl)c2)ccc1O	ZINC000009374635	569527072	/nfs/dbraw/zinc/52/70/72/569527072.db2.gz	QAUAXJHIFMEREE-JOCHJYFZSA-N	0	0	449.890	5.146	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009374194	569527123	/nfs/dbraw/zinc/52/71/23/569527123.db2.gz	FKBCHNZOOUEIAJ-OAQYLSRUSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009374703	569527244	/nfs/dbraw/zinc/52/72/44/569527244.db2.gz	UEUMNXDYKVRGFQ-HSZRJFAPSA-N	0	0	431.919	5.469	50	30		IKEARN
CC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1	ZINC000009380131	569527772	/nfs/dbraw/zinc/52/77/72/569527772.db2.gz	XCUAWQHGEKFLGL-QFIPXVFZSA-N	0	0	431.875	5.326	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccccc2F)cc1	ZINC000009380225	569527892	/nfs/dbraw/zinc/52/78/92/569527892.db2.gz	MGLATFUNRHULEZ-OTQXGJDPSA-N	0	0	429.447	5.017	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000009380653	569528018	/nfs/dbraw/zinc/52/80/18/569528018.db2.gz	SNKHLBGAXQLCIW-QFIPXVFZSA-N	0	0	432.907	5.189	50	30		IKEARN
Cc1c(C#N)c(NC(=O)/C=C\c2ccccc2Cl)sc1Cc1ccc2c(c1)OCO2	ZINC000009390692	569528771	/nfs/dbraw/zinc/52/87/71/569528771.db2.gz	RTGLYNJVWOHQMS-CLFYSBASSA-N	0	0	436.920	5.553	50	30		IKEARN
N#CC(=NNc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	ZINC000009404399	569529642	/nfs/dbraw/zinc/52/96/42/569529642.db2.gz	ITHDCUAFGNNRGN-JFLMPSFJSA-N	0	0	441.265	6.475	50	30		IKEARN
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2ccc(C(C)C)cc2)C3=O)cc1	ZINC000009419470	569532544	/nfs/dbraw/zinc/53/25/44/569532544.db2.gz	GEWVICORMDHARV-OYKKKHCWSA-N	0	0	434.513	5.502	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OC(=O)c4ccccc4F)ccc3C1=O)cn2C	ZINC000009422209	569532848	/nfs/dbraw/zinc/53/28/48/569532848.db2.gz	RKOXOYIDMKXDCP-BHGWPJFGSA-N	0	0	443.430	5.161	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(C)cc4)ccc3C1=O)cn2C	ZINC000009422914	569532870	/nfs/dbraw/zinc/53/28/70/569532870.db2.gz	DMUGLWRDOVUJHV-RPPGKUMJSA-N	0	0	425.484	5.691	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1	ZINC000009422526	569532883	/nfs/dbraw/zinc/53/28/83/569532883.db2.gz	UVVLMKNFVIUWKH-UHFFFAOYSA-N	0	0	434.870	6.593	50	30		IKEARN
COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SC/C=C/c3ccccc3)n2)cc1	ZINC000009422775	569532898	/nfs/dbraw/zinc/53/28/98/569532898.db2.gz	PGJMISBOGDTTCK-VMPITWQZSA-N	0	0	426.463	6.453	50	30		IKEARN
CC(C)(C)[C@H]1CCc2nc(SCc3ccc(Cl)cc3)c(C#N)c(C(F)(F)F)c2C1	ZINC000009423049	569532973	/nfs/dbraw/zinc/53/29/73/569532973.db2.gz	XAFSHQILHXJWIC-AWEZNQCLSA-N	0	0	438.946	7.069	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C	ZINC000009423673	569533015	/nfs/dbraw/zinc/53/30/15/569533015.db2.gz	PUTWBNPATFHEOE-OPEKNORGSA-N	0	0	429.447	5.521	50	30		IKEARN
C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(Cc4ccco4)[C@H]3c3cccc(Cl)c3)ccc2O1	ZINC000009424262	569533108	/nfs/dbraw/zinc/53/31/08/569533108.db2.gz	UUMOJUBWCNJEIZ-FPTDNZKUSA-N	0	0	449.890	5.035	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc2ccccc2oc1=O	ZINC000390834838	569533609	/nfs/dbraw/zinc/53/36/09/569533609.db2.gz	GKWUTTDDNKWAOM-NTCAYCPXSA-N	0	0	436.442	5.681	50	30		IKEARN
C=CCN(C(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)c1ccccc1	ZINC000009433151	569534522	/nfs/dbraw/zinc/53/45/22/569534522.db2.gz	SNTCFGIOXNQWRE-JWQCQUIFSA-N	0	0	444.600	5.904	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1	ZINC000009434511	569534698	/nfs/dbraw/zinc/53/46/98/569534698.db2.gz	ORBYSQOCJBEZHN-NMRWETQTSA-N	0	0	446.547	6.419	50	30		IKEARN
Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)c1O	ZINC000009434377	569534723	/nfs/dbraw/zinc/53/47/23/569534723.db2.gz	SFRLEGVFKGVQNQ-BHGWPJFGSA-N	0	0	425.257	6.161	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Br)cc1	ZINC000009445157	569535799	/nfs/dbraw/zinc/53/57/99/569535799.db2.gz	OVDDNJCFQQDCSQ-RMKNXTFCSA-N	0	0	432.657	6.167	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000009461692	569537107	/nfs/dbraw/zinc/53/71/07/569537107.db2.gz	XFDTZFCNPVJKED-FPOGMNQUSA-N	0	0	429.589	6.091	50	30		IKEARN
Cc1ccc(-c2c3c4c(sc3nc3c2C[C@@](C#N)(c2ccccc2)CC3)CCCC4)cc1	ZINC000009512368	569542904	/nfs/dbraw/zinc/54/29/04/569542904.db2.gz	HKDACAUNLZMPAN-LJAQVGFWSA-N	0	0	434.608	7.101	50	30		IKEARN
N#Cc1ccc(CSc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)cc1	ZINC000009515459	569543315	/nfs/dbraw/zinc/54/33/15/569543315.db2.gz	CURZBKKYQGILDL-UHFFFAOYSA-N	0	0	434.564	6.694	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)N1CCC(c2nc3ccccc3s2)CC1	ZINC000009516958	569543593	/nfs/dbraw/zinc/54/35/93/569543593.db2.gz	VFVHUAXCMVTKCO-UHFFFAOYSA-N	0	0	448.617	5.330	50	30		IKEARN
Cc1ccc(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)cc1	ZINC000009530477	569545028	/nfs/dbraw/zinc/54/50/28/569545028.db2.gz	LMNUULUBHCFVST-RMORIDSASA-N	0	0	434.875	5.710	50	30		IKEARN
O=C1c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O/C1=C\c1ccc2c(c1)OCO2	ZINC000009547441	569546387	/nfs/dbraw/zinc/54/63/87/569546387.db2.gz	ZLPCXTIJYXFCFW-AFPJDJCSSA-N	0	0	441.266	5.917	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)C1CCCCC1	ZINC000009547248	569546402	/nfs/dbraw/zinc/54/64/02/569546402.db2.gz	YUGSYQBJGVHXKA-FBHDLOMBSA-N	0	0	440.879	5.308	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000009553778	569546708	/nfs/dbraw/zinc/54/67/08/569546708.db2.gz	YTFOFHPHFLKROS-ZDUSSCGKSA-N	0	0	429.586	5.427	50	30		IKEARN
CC(=O)N1c2ccc(C(=O)c3ccccc3)cc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000009553800	569546745	/nfs/dbraw/zinc/54/67/45/569546745.db2.gz	DLXSERYFGGKXCL-RUZDIDTESA-N	0	0	426.472	5.037	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccccc2F)nc(-c2ccc(F)cc2)cc1C(F)(F)F	ZINC000009556366	569546765	/nfs/dbraw/zinc/54/67/65/569546765.db2.gz	HQVXTOSIPJLNIP-UHFFFAOYSA-N	0	0	449.404	5.648	50	30		IKEARN
C=CCNC(=S)N/N=C/c1cn(CCOc2ccc([C@@H](C)CC)cc2)c2ccccc12	ZINC000009554190	569546769	/nfs/dbraw/zinc/54/67/69/569546769.db2.gz	WLBZRGFXYGYMOQ-VEMGOHLESA-N	0	0	434.609	5.218	50	30		IKEARN
COc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccccc3N2C(=O)c2ccccc2)ccc1O	ZINC000009554139	569546782	/nfs/dbraw/zinc/54/67/82/569546782.db2.gz	SAVWUDZQPJJYQN-AREMUKBSSA-N	0	0	440.499	5.222	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009575282	569547950	/nfs/dbraw/zinc/54/79/50/569547950.db2.gz	SCVOZDPFOPEBOP-LRTDBIEQSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1csc([C@H](C#N)C(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccccc2)n1	ZINC000009586622	569549747	/nfs/dbraw/zinc/54/97/47/569549747.db2.gz	CSMWJVWQNCSCSY-HXUWFJFHSA-N	0	0	444.585	5.581	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@H]2c1cccs1	ZINC000009597330	569550875	/nfs/dbraw/zinc/55/08/75/569550875.db2.gz	HMCRSQOPSUURSL-IBGZPJMESA-N	0	0	449.601	5.324	50	30		IKEARN
CN(C)c1ccc([C@@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009597278	569550887	/nfs/dbraw/zinc/55/08/87/569550887.db2.gz	ZOAZGYVZTCJMFM-NRFANRHFSA-N	0	0	446.982	5.997	50	30		IKEARN
CN(C)c1ccc([C@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009599401	569551246	/nfs/dbraw/zinc/55/12/46/569551246.db2.gz	ZOAZGYVZTCJMFM-OAQYLSRUSA-N	0	0	446.982	5.997	50	30		IKEARN
COc1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009601019	569551522	/nfs/dbraw/zinc/55/15/22/569551522.db2.gz	RKVRSJGSJWAWLW-YKGWIAGDSA-N	0	0	431.535	6.916	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12	ZINC000009601021	569551531	/nfs/dbraw/zinc/55/15/31/569551531.db2.gz	YDSDGVVXZWVWDR-DFXYEROKSA-N	0	0	445.518	6.636	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccc(Br)cc1)Nc1ccc3ccccc3c12	ZINC000009635964	569554714	/nfs/dbraw/zinc/55/47/14/569554714.db2.gz	WYQVEHPWYJMRAB-DEOSSOPVSA-N	0	0	432.361	6.912	50	30		IKEARN
CCn1c2ccccc2nc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1cccs1	ZINC000009641307	569555652	/nfs/dbraw/zinc/55/56/52/569555652.db2.gz	RHDWJWQYVVJPHU-UHFFFAOYSA-N	0	0	449.605	5.187	50	30		IKEARN
C=CCn1c(SCCC(C)=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc21	ZINC000009646151	569556273	/nfs/dbraw/zinc/55/62/73/569556273.db2.gz	YHYPKZOAYDNWNL-UHFFFAOYSA-N	0	0	428.561	5.726	50	30		IKEARN
CN(C)[C@@H](CNC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1Cl	ZINC000009671359	569558583	/nfs/dbraw/zinc/55/85/83/569558583.db2.gz	MLFUAZVAMCTZFI-NRFANRHFSA-N	0	0	435.980	5.396	50	30		IKEARN
C=CCn1c(SCc2nc3ccccc3c(C)c2Cl)nnc1-c1ccccc1OC	ZINC000009671918	569558698	/nfs/dbraw/zinc/55/86/98/569558698.db2.gz	IMYSJSACQXUKQX-UHFFFAOYSA-N	0	0	436.968	5.942	50	30		IKEARN
CCN(CC)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2cccnc2)cc1	ZINC000009680375	569560064	/nfs/dbraw/zinc/56/00/64/569560064.db2.gz	FKPXUMGIBDGNSO-WPWMEQJKSA-N	0	0	442.592	5.361	50	30		IKEARN
C=CCN(C(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C)c1ccccc1	ZINC000009682092	569560284	/nfs/dbraw/zinc/56/02/84/569560284.db2.gz	CMMVBGLLIBVDBI-UHFFFAOYSA-N	0	0	448.526	5.019	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(CCCCC)c(=O)c2ccccc21	ZINC000009712082	569562143	/nfs/dbraw/zinc/56/21/43/569562143.db2.gz	DGBXNZWRXKNWKU-UHFFFAOYSA-N	0	0	429.973	5.130	50	30		IKEARN
O=C(Oc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1)c1ccccc1F	ZINC000009720496	569563250	/nfs/dbraw/zinc/56/32/50/569563250.db2.gz	CHRDVBASQGFNNZ-UHFFFAOYSA-N	0	0	432.447	5.173	50	30		IKEARN
CCOc1ccccc1[C@@H]1C2C(=O)CC(C)(C)CC2=Nc2nc(-c3cccc(Cl)c3)nn21	ZINC000009731834	569564727	/nfs/dbraw/zinc/56/47/27/569564727.db2.gz	KVOXDXHSFITRLK-JOCHJYFZSA-N	0	0	448.954	5.655	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1cccc(F)c1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1	ZINC000009775613	569567000	/nfs/dbraw/zinc/56/70/00/569567000.db2.gz	XMJOAAFGWLHBKX-UHFFFAOYSA-N	0	0	449.591	6.777	50	30		IKEARN
C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000009805702	569568790	/nfs/dbraw/zinc/56/87/90/569568790.db2.gz	NUHHEQKZWASZIM-UHFFFAOYSA-N	0	0	431.315	5.094	50	30		IKEARN
Cc1c(C)n(Cc2cccs2)c(NC(=O)CSc2nc3ccccc3s2)c1C#N	ZINC000009833377	569570365	/nfs/dbraw/zinc/57/03/65/569570365.db2.gz	VIAIOQHNBPAUQD-UHFFFAOYSA-N	0	0	438.603	5.427	50	30		IKEARN
N#Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1	ZINC000009845969	569570928	/nfs/dbraw/zinc/57/09/28/569570928.db2.gz	NAUKMNVUBKJARB-GRSHGNNSSA-N	0	0	438.270	5.218	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)c1	ZINC000009845857	569570957	/nfs/dbraw/zinc/57/09/57/569570957.db2.gz	IUIVQQLUBNBMEZ-ODLFYWEKSA-N	0	0	443.355	6.762	50	30		IKEARN
Cc1ccccc1[C@@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(Cl)cc3)nn21	ZINC000009856505	569571636	/nfs/dbraw/zinc/57/16/36/569571636.db2.gz	SNJYYDUWHAAXGY-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc2c(c1)s/c(=N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)n2Cc1ccccc1	ZINC000009891849	569572917	/nfs/dbraw/zinc/57/29/17/569572917.db2.gz	SKSXLTPGUGZARV-SPKSAGFJSA-N	0	0	436.924	5.556	50	30		IKEARN
COc1cccc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)c1OCc1ccccc1	ZINC000009907467	569573121	/nfs/dbraw/zinc/57/31/21/569573121.db2.gz	SWHRBJUDJHHYGW-HZHRSRAPSA-N	0	0	444.556	5.783	50	30		IKEARN
CCOC(=O)c1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC)cc2)CCC3)cc1	ZINC000009907651	569573149	/nfs/dbraw/zinc/57/31/49/569573149.db2.gz	KUZGLUDFUVUONE-CVKSISIWSA-N	0	0	448.544	5.425	50	30		IKEARN
CCOc1ccc(NC(=O)c2c(/N=C/c3cccc(F)c3)sc3c2CC[C@@H](C)C3)cc1	ZINC000009907619	569573153	/nfs/dbraw/zinc/57/31/53/569573153.db2.gz	FCEQIHZOIAIOKH-WJGWSCHNSA-N	0	0	436.552	6.414	50	30		IKEARN
COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(OC)cc2OC)CCC3)cc1	ZINC000009907650	569573187	/nfs/dbraw/zinc/57/31/87/569573187.db2.gz	WIBCONRPMIDGLS-AFUMVMLFSA-N	0	0	436.533	5.266	50	30		IKEARN
CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1	ZINC000009913264	569573317	/nfs/dbraw/zinc/57/33/17/569573317.db2.gz	AOFWDFGORXNBEP-UHFFFAOYSA-N	0	0	444.969	5.152	50	30		IKEARN
C=CCn1c(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)nnc1-c1ccccc1	ZINC000009952127	569574540	/nfs/dbraw/zinc/57/45/40/569574540.db2.gz	NGHSVYGPDVNHKI-INIZCTEOSA-N	0	0	449.605	5.053	50	30		IKEARN
CCOc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@H]2c2ccccc2)cc1Cl	ZINC000009969590	569576072	/nfs/dbraw/zinc/57/60/72/569576072.db2.gz	VNIBCCUKEMSFMR-NRFANRHFSA-N	0	0	437.879	5.110	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(C)cc2)cc1C	ZINC000009993937	569576939	/nfs/dbraw/zinc/57/69/39/569576939.db2.gz	YNFGFEREQHVTNG-DEOSSOPVSA-N	0	0	442.515	5.270	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CSc2nnc(-c3cccs3)o2)c1C#N	ZINC000009994313	569576943	/nfs/dbraw/zinc/57/69/43/569576943.db2.gz	IRIBAKMAWYQIKP-UHFFFAOYSA-N	0	0	441.582	5.324	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009993295	569576946	/nfs/dbraw/zinc/57/69/46/569576946.db2.gz	LXZOJAMPWCKESK-NRFANRHFSA-N	0	0	426.497	5.388	50	30		IKEARN
C=CCn1c(SCc2ccc(OC(C)C)cc2)nc2sc3c(c2c1=O)CCCC3	ZINC000009993244	569576955	/nfs/dbraw/zinc/57/69/55/569576955.db2.gz	KRMDQFQNFORMDD-UHFFFAOYSA-N	0	0	426.607	5.602	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2cccs2)nc1SCCSCc1ccccc1	ZINC000009993115	569576958	/nfs/dbraw/zinc/57/69/58/569576958.db2.gz	CEZGJJRVSPAFSA-UHFFFAOYSA-N	0	0	444.650	7.374	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C)cc2)cc1C	ZINC000009993936	569576965	/nfs/dbraw/zinc/57/69/65/569576965.db2.gz	YNFGFEREQHVTNG-XMMPIXPASA-N	0	0	442.515	5.270	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3F)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013593	569577130	/nfs/dbraw/zinc/57/71/30/569577130.db2.gz	PTAKFIBNXVUHNL-QHCPKHFHSA-N	0	0	436.502	5.516	50	30		IKEARN
C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)Nc1cccc2ccccc21	ZINC000010034812	569577404	/nfs/dbraw/zinc/57/74/04/569577404.db2.gz	IGTBQACHZWRRFS-UHFFFAOYSA-N	0	0	444.491	5.127	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)c(Cl)c1	ZINC000005910252	569582739	/nfs/dbraw/zinc/58/27/39/569582739.db2.gz	SCDDXVCBCXWFRH-LSHDLFTRSA-N	0	0	441.181	6.716	50	30		IKEARN
Cc1cc(C)cc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c1	ZINC000001864440	569583232	/nfs/dbraw/zinc/58/32/32/569583232.db2.gz	OXMWSMJJKUYWTA-JVWAILMASA-N	0	0	440.572	6.393	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2csc(N=NC(c3ccccc3)c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000033789106	569584185	/nfs/dbraw/zinc/58/41/85/569584185.db2.gz	IGZKDHMQLRZTBP-DARPEHSRSA-N	0	0	445.460	5.491	50	30		IKEARN
O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccc(Sc4ccccc4)cc3)cs2)cc1	ZINC000009045037	569584203	/nfs/dbraw/zinc/58/42/03/569584203.db2.gz	DULLNSPGQIVGSQ-OEAKJJBVSA-N	0	0	432.530	6.316	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000009360649	569584424	/nfs/dbraw/zinc/58/44/24/569584424.db2.gz	YVCXIROPPVUFHA-RMNOPMHCSA-N	0	0	441.556	6.467	50	30		IKEARN
Cc1ccc(S(=O)(=O)N/N=C/C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	ZINC000019898272	569587014	/nfs/dbraw/zinc/58/70/14/569587014.db2.gz	VTIQQOLCKYSKJA-SGWCAAJKSA-N	0	0	440.568	5.294	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12	ZINC000012868537	290671208	/nfs/dbraw/zinc/67/12/08/290671208.db2.gz	FVWJYYTZTCVBKE-KIBNYLIHSA-N	0	0	442.728	6.997	50	30	biogenic	IKEARN
O=C1/C(=C/c2ccc3c(c2)OCO3)S/C(=N/Cc2ccccc2)N1Cc1ccccc1	ZINC000002932671	120720424	/nfs/dbraw/zinc/72/04/24/120720424.db2.gz	GPOYDCYYMULJQP-JWLCOBFGSA-N	0	0	428.513	5.088	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2CC)S/C1=N/CCc1ccccc1	ZINC000102148906	123570599	/nfs/dbraw/zinc/57/05/99/123570599.db2.gz	LOKJFMSLYCLMKH-MWWVQSJNSA-N	0	0	444.025	5.635	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1cc3c(cc1Cl)OCO3)Nc1ccccc1N2	ZINC000000631002	193863775	/nfs/dbraw/zinc/86/37/75/193863775.db2.gz	GVFVTHRQZMBLLI-YHAMSUFESA-N	0	0	444.918	6.048	50	30		IKEARN
CCc1nn(-c2cc(Oc3ccc(Cl)cc3C)nc(-c3ccccc3)n2)c(N)c1C#N	ZINC000000644452	193869179	/nfs/dbraw/zinc/86/91/79/193869179.db2.gz	BUXWVXDQDRUQDO-UHFFFAOYSA-N	0	0	430.899	5.100	50	30		IKEARN
CCOc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1	ZINC000006134253	193880209	/nfs/dbraw/zinc/88/02/09/193880209.db2.gz	DFEWYCALQZWBOO-UHFFFAOYSA-N	0	0	431.439	5.255	50	30		IKEARN
CCCc1cc(N2CCN(c3ccc(Cl)cc3)CC2)n2c3ccccc3nc2c1C#N	ZINC000001245190	132240712	/nfs/dbraw/zinc/24/07/12/132240712.db2.gz	CHGDGCDVHTUJOP-UHFFFAOYSA-N	0	0	429.955	5.292	50	30		IKEARN
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCN(c2ccccc2)CC1	ZINC000002417181	132254180	/nfs/dbraw/zinc/25/41/80/132254180.db2.gz	RSKNVQILRUYKAX-UHFFFAOYSA-N	0	0	436.515	5.119	50	30		IKEARN
N#Cc1cc2c(nc1SCC(=O)N1c3ccccc3Sc3ccccc31)CCCC2	ZINC000009861288	132330360	/nfs/dbraw/zinc/33/03/60/132330360.db2.gz	JDOUAKITVJDQPW-UHFFFAOYSA-N	0	0	429.570	5.754	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@H]2c1ccc(F)cc1	ZINC000016578009	517502488	/nfs/dbraw/zinc/50/24/88/517502488.db2.gz	KVMFIBFCXDEJNW-IBGZPJMESA-N	0	0	446.547	5.901	50	30		IKEARN
Brc1ccc(-c2n[nH]cc2C=NN=C(c2ccccc2)c2ccccc2)cc1	ZINC000013322088	518208516	/nfs/dbraw/zinc/20/85/16/518208516.db2.gz	ZGUXTYNSUSPKFT-MFKUBSTISA-N	0	0	429.321	5.711	50	30		IKEARN
C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O	ZINC000013939702	518265029	/nfs/dbraw/zinc/26/50/29/518265029.db2.gz	ZFBOJNLGBOGCPG-WQRHYEAKSA-N	0	0	448.327	5.251	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC	ZINC000015009900	518316593	/nfs/dbraw/zinc/31/65/93/518316593.db2.gz	JJQAUXLZLBFMNO-WQRHYEAKSA-N	0	0	448.327	5.251	50	30		IKEARN
C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl	ZINC000002164783	518318131	/nfs/dbraw/zinc/31/81/31/518318131.db2.gz	RNZFBYOSZMLDMB-CXUHLZMHSA-N	0	0	438.719	5.900	50	30		IKEARN
C#CCOc1ccc([C@@H]2CC(=O)Nc3c(-c4ccc(Cl)cc4)csc32)cc1OCC	ZINC000021157852	518325177	/nfs/dbraw/zinc/32/51/77/518325177.db2.gz	UTCNMEYWJZABDN-SFHVURJKSA-N	0	0	437.948	5.953	50	30		IKEARN
C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2	ZINC000003000036	518325237	/nfs/dbraw/zinc/32/52/37/518325237.db2.gz	DCFTYIGRTLMJLM-UHFFFAOYSA-N	0	0	438.951	5.752	50	30		IKEARN
C#CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2	ZINC000019972675	518326778	/nfs/dbraw/zinc/32/67/78/518326778.db2.gz	BUCJXZXPOCZEOR-UHFFFAOYSA-N	0	0	437.967	5.325	50	30		IKEARN
C(=C/c1ccccc1)\C=N\c1ccc(Cc2ccc(/N=C/C=C/c3ccccc3)cc2)cc1	ZINC000013464376	518371635	/nfs/dbraw/zinc/37/16/35/518371635.db2.gz	VEPYLJPVFMGBKU-GVRZZCCUSA-N	0	0	426.563	8.109	50	30		IKEARN
C/C(=N/OCc1cccc(C#N)c1)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C	ZINC000035843461	518457388	/nfs/dbraw/zinc/45/73/88/518457388.db2.gz	LVRLFUCMBKIRTN-GTWSWNCMSA-N	0	0	437.518	6.713	50	30		IKEARN
C/C(=N/OCc1ccccc1F)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C	ZINC000035843425	518457645	/nfs/dbraw/zinc/45/76/45/518457645.db2.gz	ZFSFIYGJCCUBSE-LQNQUEJISA-N	0	0	434.461	6.811	50	30		IKEARN
C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1C	ZINC000035843428	518457843	/nfs/dbraw/zinc/45/78/43/518457843.db2.gz	SOFNZQMCDJROMW-FSGOGVSDSA-N	0	0	430.498	6.980	50	30		IKEARN
CC(N=Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(C#CCC2CCCCC2)s1	ZINC000012367344	518463703	/nfs/dbraw/zinc/46/37/03/518463703.db2.gz	WHZRQLLMOOXSPO-AFUMVMLFSA-N	0	0	439.839	7.866	50	30		IKEARN
CC(=NNc1cc(Cl)ccc1Cl)c1csc(COc2ccc(Cl)cc2)n1	ZINC000012369735	518464678	/nfs/dbraw/zinc/46/46/78/518464678.db2.gz	VLKWPJBENPPBFJ-FOKLQQMPSA-N	0	0	426.756	6.518	50	30		IKEARN
CC(N=Nc1nc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)c1ccc(Cl)cc1	ZINC000009034254	518466217	/nfs/dbraw/zinc/46/62/17/518466217.db2.gz	UOXIRNHFYZRJQK-XODNFHPESA-N	0	0	441.749	7.093	50	30		IKEARN
C/C(=N\OCc1cccc(C(=O)N=[S@@](C)(=O)c2ccccc2)c1)c1ccc(Cl)cc1	ZINC000013466386	518471671	/nfs/dbraw/zinc/47/16/71/518471671.db2.gz	JTBBXGSNDACVEM-WMNBSXSMSA-N	0	0	440.952	5.578	50	30		IKEARN
CC(=O)c1sc(SCCS(=O)(=O)c2ccccc2)c(C#N)c1-c1ccccc1	ZINC000036048367	518497935	/nfs/dbraw/zinc/49/79/35/518497935.db2.gz	VOLSVRVHMNWJIB-UHFFFAOYSA-N	0	0	427.572	5.055	50	30		IKEARN
CC(C)(C)C(=O)[C@H]1[C@H](c2cccc3ccccc32)C(C#N)(C#N)[C@@H]2c3ccccc3C=CN12	ZINC000035366029	518594445	/nfs/dbraw/zinc/59/44/45/518594445.db2.gz	SDLIEYULIJAVBE-NXCFDTQHSA-N	0	0	431.539	5.982	50	30		IKEARN
C=C(C)COc1ccc2oc(-c3ccc(OC)cc3)c(C(=O)Nc3cccc(C)c3C)c2c1	ZINC000028182406	518616607	/nfs/dbraw/zinc/61/66/07/518616607.db2.gz	SLRYTANBOJPMOU-UHFFFAOYSA-N	0	0	441.527	6.932	50	30		IKEARN
C=C(C)COc1ccccc1[C@H]1CC(=O)Oc2ccc3c(c21)O/C(=C\c1cccnc1)C3=O	ZINC000218112360	518622721	/nfs/dbraw/zinc/62/27/21/518622721.db2.gz	OITGNENIPHFEMQ-BRTCBXNNSA-N	0	0	439.467	5.094	50	30	biogenic	IKEARN
C=C(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@](C)(CC)OC3	ZINC000002305116	518625170	/nfs/dbraw/zinc/62/51/70/518625170.db2.gz	RJTBMKBGGHPUKJ-HSZRJFAPSA-N	0	0	426.607	5.665	50	30		IKEARN
C=C(C)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCCC5	ZINC000009144461	518627382	/nfs/dbraw/zinc/62/73/82/518627382.db2.gz	XJYURXVELFBCFW-UHFFFAOYSA-N	0	0	443.601	6.101	50	30		IKEARN
C=C(C)Cn1c(C(=O)NCCc2ccccc2OC)cc2sc(Br)cc21	ZINC000037543284	518639024	/nfs/dbraw/zinc/63/90/24/518639024.db2.gz	LWWUQRMFSGLZIB-UHFFFAOYSA-N	0	0	433.371	5.023	50	30		IKEARN
C=C(C)Cn1c(SCc2ccccc2)nc2scc(-c3ccc(Cl)cc3)c2c1=O	ZINC000002070752	518639907	/nfs/dbraw/zinc/63/99/07/518639907.db2.gz	HZTUFGJOZBJJAR-UHFFFAOYSA-N	0	0	439.005	6.647	50	30		IKEARN
C=C(C)Cn1c(SCCCCCCC)nc2sc3c(c2c1=O)CCc1ccccc1-3	ZINC000002354466	518641147	/nfs/dbraw/zinc/64/11/47/518641147.db2.gz	AWIDPXAFLPRJBP-UHFFFAOYSA-N	0	0	438.662	6.862	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	ZINC000253498702	518645392	/nfs/dbraw/zinc/64/53/92/518645392.db2.gz	MQYXUWHLBZFQQO-FTPWLFHRSA-N	0	0	426.729	8.025	50	30	biogenic,in-vitro	IKEARN
C=CC=C(SC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1	ZINC000033462682	518655469	/nfs/dbraw/zinc/65/54/69/518655469.db2.gz	DIAHCWJBJROACT-RQZCQDPDSA-N	0	0	428.604	5.158	50	30		IKEARN
C=C1[C@H](C(=O)Nc2cc(Cl)ccc2Cl)[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl	ZINC000013304911	518668687	/nfs/dbraw/zinc/66/86/87/518668687.db2.gz	RVFAOPJSTKZSIX-IYBDPMFKSA-N	0	0	430.118	5.680	50	30		IKEARN
C=CCCC(O)(CCC=C)c1ccc(CN(CCOC)Cc2ccc(OC)c(OC)c2)o1	ZINC000036156197	518696791	/nfs/dbraw/zinc/69/67/91/518696791.db2.gz	BTHMLMVLZCZLPH-UHFFFAOYSA-N	0	0	443.584	5.065	50	30		IKEARN
C=CCN(C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21)c1ccccc1	ZINC000012564296	518737428	/nfs/dbraw/zinc/73/74/28/518737428.db2.gz	GXLLVSYIGCWICX-UHFFFAOYSA-N	0	0	443.344	6.497	50	30		IKEARN
C=CCN(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1	ZINC000002187628	518739510	/nfs/dbraw/zinc/73/95/10/518739510.db2.gz	GYEQHYOKYJAKJX-UHFFFAOYSA-N	0	0	441.534	6.797	50	30		IKEARN
C=CCN(C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl)c1nc2c(s1)CCCC2	ZINC000015969126	518741168	/nfs/dbraw/zinc/74/11/68/518741168.db2.gz	MGCHOMWXZVMHRQ-UHFFFAOYSA-N	0	0	437.179	5.863	50	30		IKEARN
C=CCN(CC(=O)Nc1c(C(C)C)cccc1C(C)C)S(=O)(=O)c1cccc(Cl)c1	ZINC000012860112	518756098	/nfs/dbraw/zinc/75/60/98/518756098.db2.gz	GCPKKJJCRNCAHT-UHFFFAOYSA-N	0	0	449.016	5.402	50	30		IKEARN
C=CCN(CC=C)C(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1C	ZINC000004145675	518765049	/nfs/dbraw/zinc/76/50/49/518765049.db2.gz	DRXHMOFNYGQIDQ-UHFFFAOYSA-N	0	0	438.984	5.189	50	30		IKEARN
C=CCN(CC=C)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c21)CCC3	ZINC000002626657	518772279	/nfs/dbraw/zinc/77/22/79/518772279.db2.gz	CJMKKIUBHGJSIO-UHFFFAOYSA-N	0	0	428.026	6.304	50	30		IKEARN
C=CCN(Cc1ccc(Br)s1)c1ncnc2sc(-c3ccccc3)cc21	ZINC000013149351	518775776	/nfs/dbraw/zinc/77/57/76/518775776.db2.gz	ZECNYXLRWOZIKQ-UHFFFAOYSA-N	0	0	442.407	6.375	50	30		IKEARN
C=CCN(Cc1csc(COc2cccc(C)c2C)n1)S(=O)(=O)c1ccc(C)cc1	ZINC000036115362	518796872	/nfs/dbraw/zinc/79/68/72/518796872.db2.gz	OJBGOHQTYDYZMM-UHFFFAOYSA-N	0	0	442.606	5.024	50	30		IKEARN
C=CCN(Cc1csc(COc2cccc(Cl)c2)n1)C(=O)c1ccc(OC)cc1	ZINC000036106820	518796887	/nfs/dbraw/zinc/79/68/87/518796887.db2.gz	CGKZQZZCJJIKRF-UHFFFAOYSA-N	0	0	428.941	5.213	50	30		IKEARN
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(Cl)c2)c1	ZINC000003025183	518816797	/nfs/dbraw/zinc/81/67/97/518816797.db2.gz	MUOZUFXPAXASME-UHFFFAOYSA-N	0	0	444.915	5.113	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S	ZINC000013602801	518826919	/nfs/dbraw/zinc/82/69/19/518826919.db2.gz	CKWHIXFPAVHHHX-MOSHPQCFSA-N	0	0	445.993	5.705	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2Cl)SC1=S	ZINC000002978300	518828214	/nfs/dbraw/zinc/82/82/14/518828214.db2.gz	NNGUSNTXYXBREH-RGEXLXHISA-N	0	0	431.966	5.185	50	30		IKEARN
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc([N+](=O)[O-])cc1	ZINC000100505595	518830342	/nfs/dbraw/zinc/83/03/42/518830342.db2.gz	HPFLMCQXCXPFDO-YALZWYRPSA-N	0	0	438.534	5.145	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1cc(Cl)ccc1C	ZINC000017242351	518846128	/nfs/dbraw/zinc/84/61/28/518846128.db2.gz	SMPFGNYZGGTKIK-UOODYVSWSA-N	0	0	441.984	5.412	50	30		IKEARN
C=CCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc([C@@H](C)CC)cc2)CC1=O	ZINC000004910496	518871715	/nfs/dbraw/zinc/87/17/15/518871715.db2.gz	JFCBJJQXBQGVQF-RBBKRZOGSA-N	0	0	431.580	5.521	50	30		IKEARN
C=CCN1c2cc(C(=O)NCc3ccccc3Cl)ccc2Sc2ccccc2C1=O	ZINC000003040716	518874368	/nfs/dbraw/zinc/87/43/68/518874368.db2.gz	CTEKTWQKNALCTE-UHFFFAOYSA-N	0	0	434.948	5.567	50	30		IKEARN
C=CCN1c2ccccc2[C@@]2(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)C1=O	ZINC000012379079	518879193	/nfs/dbraw/zinc/87/91/93/518879193.db2.gz	XBTHNDWNMHJLBQ-ZEQKJWHPSA-N	0	0	441.918	5.269	50	30		IKEARN
C=CCNC(=O)N(Cc1cccc(C)c1)c1ccc(CC(=O)NCc2cccc(C)c2)cc1	ZINC000037558750	518903414	/nfs/dbraw/zinc/90/34/14/518903414.db2.gz	YMEPHFAFZSSBDQ-UHFFFAOYSA-N	0	0	441.575	5.065	50	30		IKEARN
C=CCNC(=O)N(Cc1ccc(F)cc1)c1cccc(CC(=O)Nc2cccc(C)c2)c1	ZINC000037600367	518903494	/nfs/dbraw/zinc/90/34/94/518903494.db2.gz	XACJQBQRTRTHQU-UHFFFAOYSA-N	0	0	431.511	5.218	50	30		IKEARN
C=CCNC(=O)[C@@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1	ZINC000015855599	518913465	/nfs/dbraw/zinc/91/34/65/518913465.db2.gz	BIPIQBZJHZFACR-IBOXJLQUSA-N	0	0	432.545	5.021	50	30		IKEARN
C=CCNC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2	ZINC000002107174	518932862	/nfs/dbraw/zinc/93/28/62/518932862.db2.gz	VRESCIRIFUWSIS-UHFFFAOYSA-N	0	0	445.009	5.972	50	30		IKEARN
C=CCNC(=O)c1cncn1-c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	ZINC000023432381	518945399	/nfs/dbraw/zinc/94/53/99/518945399.db2.gz	XPRJWMZAXXJQRR-UHFFFAOYSA-N	0	0	439.359	5.493	50	30		IKEARN
C=CCNc1nc2c3sc4nc(C(F)(F)F)cc(-c5ccco5)c4c3[nH]c(=O)c2s1	ZINC000036612857	518964984	/nfs/dbraw/zinc/96/49/84/518964984.db2.gz	GSJVDYBDYATTQB-UHFFFAOYSA-N	0	0	448.451	5.624	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2ccc(F)c(F)c2)C(=O)C[C@H]1c1ccccc1Cl	ZINC000037280146	518968818	/nfs/dbraw/zinc/96/88/18/518968818.db2.gz	FBUOQGQIWDTCNA-KRWDZBQOSA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1=C(C)N(Cc2cccc(Cl)c2)C(=O)C[C@H]1c1ccc(F)cc1F	ZINC000037577374	518969340	/nfs/dbraw/zinc/96/93/40/518969340.db2.gz	BVZHUFBFXXQNAO-IBGZPJMESA-N	0	0	431.866	5.138	50	30		IKEARN
C=CCOC(=O)C1C(C)=Nc2nc(-c3ccc(Cl)cc3)nn2[C@H]1c1ccc(CC)cc1	ZINC000013129738	518972551	/nfs/dbraw/zinc/97/25/51/518972551.db2.gz	HVKKWIJYLWSTAL-NRFANRHFSA-N	0	0	434.927	5.179	50	30		IKEARN
CC(C)(C)c1cc(/C=N/n2c(=O)c3ccccc3nc2-c2ccco2)cc(C(C)(C)C)c1O	ZINC000001821401	518989858	/nfs/dbraw/zinc/98/98/58/518989858.db2.gz	TWVVUQVGSADJIQ-LQKURTRISA-N	0	0	443.547	5.839	50	30		IKEARN
CC(C)(C)c1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(Cl)cc2)no1	ZINC000022135312	519001654	/nfs/dbraw/zinc/00/16/54/519001654.db2.gz	PIXIVVCSXXSSGG-HXUWFJFHSA-N	0	0	436.895	5.408	50	30		IKEARN
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)O[C@]1(C=C(C(C)(C)C)C(=O)C(=O)C1C(C)(C)C)O2	ZINC000013510938	519006074	/nfs/dbraw/zinc/00/60/74/519006074.db2.gz	DCQDNCVZSDHESB-NDEPHWFRSA-N	0	0	440.624	7.163	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@H]3c2ccccc2)cc1	ZINC000239331210	519028892	/nfs/dbraw/zinc/02/88/92/519028892.db2.gz	KHMPSGMVRIWTHT-ZCYQVOJMSA-N	0	0	427.460	5.402	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1	ZINC000012194212	519029628	/nfs/dbraw/zinc/02/96/28/519029628.db2.gz	GWNCCVGLRPMTRM-IAPPQJPRSA-N	0	0	440.543	6.281	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C)cc2)cc1	ZINC000013551369	519029647	/nfs/dbraw/zinc/02/96/47/519029647.db2.gz	WPFQZLCDZWOGCW-RSXGOPAZSA-N	0	0	430.935	6.456	50	30		IKEARN
CC(C)(C)c1ccc(OCc2ccc(C(=O)OCC(=O)NC3(C#N)CCCCC3)cc2)cc1	ZINC000015187539	519042724	/nfs/dbraw/zinc/04/27/24/519042724.db2.gz	INQIPCWEVPJOLE-UHFFFAOYSA-N	0	0	448.563	5.063	50	30		IKEARN
C=CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1	ZINC000036352130	519045421	/nfs/dbraw/zinc/04/54/21/519045421.db2.gz	SDKUGTDDYYBFSW-RSXGOPAZSA-N	0	0	446.934	6.156	50	30		IKEARN
C=CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1	ZINC000008869654	519045833	/nfs/dbraw/zinc/04/58/33/519045833.db2.gz	XMADWHRVMGSSLZ-RUZDIDTESA-N	0	0	437.495	5.724	50	30		IKEARN
C=CCOc1cccc2c1cc(C(=O)NCc1ccccc1)n2Cc1c(F)cccc1F	ZINC000035927852	519064557	/nfs/dbraw/zinc/06/45/57/519064557.db2.gz	AQOHEEKHAAAELH-UHFFFAOYSA-N	0	0	432.470	5.463	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@H](c3ccsc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000012402396	519085169	/nfs/dbraw/zinc/08/51/69/519085169.db2.gz	UFQDBJPXIVEBOS-CYBMUJFWSA-N	0	0	431.608	5.041	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1C[C@@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2	ZINC000245226589	519093072	/nfs/dbraw/zinc/09/30/72/519093072.db2.gz	FFPWFNSTHNZZLR-UGTJMOTHSA-N	0	0	448.636	6.356	50	30	biogenic	IKEARN
C=CC[C@@H]1CC=C[C@@H](C)N1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1	ZINC000012710377	519107249	/nfs/dbraw/zinc/10/72/49/519107249.db2.gz	NURXVXDTTCQEIK-YLJYHZDGSA-N	0	0	432.520	5.171	50	30		IKEARN
C=CCc1ccccc1OCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1	ZINC000013552747	519148988	/nfs/dbraw/zinc/14/89/88/519148988.db2.gz	AIYBPXZYLSVSQS-UHFFFAOYSA-N	0	0	435.336	5.796	50	30		IKEARN
C=CCn1c(=O)c2ccccc2nc1SCc1csc(-c2ccccc2Cl)n1	ZINC000013148690	519161413	/nfs/dbraw/zinc/16/14/13/519161413.db2.gz	ZIWVAYRKSZOYCB-UHFFFAOYSA-N	0	0	425.966	5.652	50	30		IKEARN
C=CCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1Cl	ZINC000012322693	519167193	/nfs/dbraw/zinc/16/71/93/519167193.db2.gz	AHJUJLIHRXDCAI-UHFFFAOYSA-N	0	0	428.941	5.029	50	30		IKEARN
C=CCn1c(CN(C)Cc2cccc3cccnc32)nnc1SCc1cccc(F)c1	ZINC000055226280	519179710	/nfs/dbraw/zinc/17/97/10/519179710.db2.gz	NQGZPFWWEAXJGK-UHFFFAOYSA-N	0	0	433.556	5.076	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cccc1C	ZINC000002364466	519185070	/nfs/dbraw/zinc/18/50/70/519185070.db2.gz	MXCRNIMUHDMPFY-UHFFFAOYSA-N	0	0	442.972	5.044	50	30		IKEARN
C=CCn1c(COc2ccc(F)cc2)nnc1S[C@@H](C)C(=O)c1ccc(C)c(C)c1	ZINC000013120698	519186782	/nfs/dbraw/zinc/18/67/82/519186782.db2.gz	IVJIROOSUJJIMZ-KRWDZBQOSA-N	0	0	425.529	5.163	50	30		IKEARN
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C	ZINC000009307203	519189350	/nfs/dbraw/zinc/18/93/50/519189350.db2.gz	PZRUPKRDKWWPEI-UHFFFAOYSA-N	0	0	436.581	5.071	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1S[C@@H](C)C(=O)c1cccc(Cl)c1	ZINC000012788167	519190845	/nfs/dbraw/zinc/19/08/45/519190845.db2.gz	ISWMPWWSGMYECP-AWEZNQCLSA-N	0	0	431.920	5.199	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000013805797	519210660	/nfs/dbraw/zinc/21/06/60/519210660.db2.gz	LNVXFKSXLVUJFA-UHFFFAOYSA-N	0	0	448.636	6.085	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccccc1Cl	ZINC000001440306	519211546	/nfs/dbraw/zinc/21/15/46/519211546.db2.gz	QHMFYWIYOIEYAZ-UHFFFAOYSA-N	0	0	426.973	5.441	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1	ZINC000002328679	519212529	/nfs/dbraw/zinc/21/25/29/519212529.db2.gz	FKJHNUKHZBYAHH-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC	ZINC000002454430	519212778	/nfs/dbraw/zinc/21/27/78/519212778.db2.gz	CVQJHZJBNGFBEM-UHFFFAOYSA-N	0	0	449.363	5.177	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2cc(-c3ccccc3)sc2c1=O	ZINC000013353308	519215253	/nfs/dbraw/zinc/21/52/53/519215253.db2.gz	CTHWQOSZGQYHAF-UHFFFAOYSA-N	0	0	447.585	5.350	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1csc(C)c1CC	ZINC000017095093	519216289	/nfs/dbraw/zinc/21/62/89/519216289.db2.gz	YZIANRDBTRXJDN-UHFFFAOYSA-N	0	0	426.611	5.357	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CCCCC1	ZINC000003343744	519218559	/nfs/dbraw/zinc/21/85/59/519218559.db2.gz	BJHQLNUYSPAKEV-UHFFFAOYSA-N	0	0	448.592	6.035	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccc(OC)cc1	ZINC000009500130	519218775	/nfs/dbraw/zinc/21/87/75/519218775.db2.gz	GCLOHTQTTGDKKA-KRWDZBQOSA-N	0	0	436.581	5.384	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccc(C)c(Cl)c1	ZINC000010059446	519221190	/nfs/dbraw/zinc/22/11/90/519221190.db2.gz	VKCMTLYZXSJEPJ-UHFFFAOYSA-N	0	0	440.956	5.026	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1ccccc1OC	ZINC000002354694	519221732	/nfs/dbraw/zinc/22/17/32/519221732.db2.gz	SJWUDQHFWCZAAV-UHFFFAOYSA-N	0	0	430.533	5.024	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)c(C)c2c1=O	ZINC000013688572	519229960	/nfs/dbraw/zinc/22/99/60/519229960.db2.gz	JKBIFFZXIWURDV-UHFFFAOYSA-N	0	0	445.418	5.604	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(C)n(-c3nccs3)c2C)nnc1C1CCCCC1	ZINC000009478332	519230690	/nfs/dbraw/zinc/23/06/90/519230690.db2.gz	AVCJDXFCTSQAOH-UHFFFAOYSA-N	0	0	441.626	5.351	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(OC)cc2)nc2scc(-c3ccccc3)c2c1=O	ZINC000000710207	519231502	/nfs/dbraw/zinc/23/15/02/519231502.db2.gz	DQHOVHDTVZGBHN-UHFFFAOYSA-N	0	0	448.569	5.295	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2scc(-c3ccc(C)o3)c2c1=O	ZINC000000719622	519232351	/nfs/dbraw/zinc/23/23/51/519232351.db2.gz	JIVNRTAKXAZOPJ-UHFFFAOYSA-N	0	0	440.521	5.327	50	30		IKEARN
C=CCn1c(SCc2ccc(F)cc2)nnc1-c1sc2nc(C)cc(C)c2c1N	ZINC000001035617	519240659	/nfs/dbraw/zinc/24/06/59/519240659.db2.gz	RDORFMNVMINAMY-UHFFFAOYSA-N	0	0	425.558	5.371	50	30		IKEARN
C=CCn1c(SCc2cn3cccc(C)c3n2)nc2scc(-c3ccccc3)c2c1=O	ZINC000012659287	519245248	/nfs/dbraw/zinc/24/52/48/519245248.db2.gz	QOUYCWWILNFISM-UHFFFAOYSA-N	0	0	444.585	5.559	50	30		IKEARN
C=CCn1c(S[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccoc1C	ZINC000013020035	519252113	/nfs/dbraw/zinc/25/21/13/519252113.db2.gz	BDNPSYOEYREVBD-ZDUSSCGKSA-N	0	0	436.459	5.171	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1	ZINC000012819693	519255247	/nfs/dbraw/zinc/25/52/47/519255247.db2.gz	WGDMCVSGBWVNKH-MRXNPFEDSA-N	0	0	438.984	5.245	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)nnc1C1CCCCC1	ZINC000012759299	519258217	/nfs/dbraw/zinc/25/82/17/519258217.db2.gz	KTNTZXFHYGTLAT-QGZVFWFLSA-N	0	0	440.613	5.614	50	30		IKEARN
C=CCn1c(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nnc1C1CCCCC1	ZINC000007734407	519259994	/nfs/dbraw/zinc/25/99/94/519259994.db2.gz	SSJKZCDEZIXVFN-OAHLLOKOSA-N	0	0	425.558	5.424	50	30		IKEARN
C=CCn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl	ZINC000003003753	519260275	/nfs/dbraw/zinc/26/02/75/519260275.db2.gz	XLWNPURBOBLHTK-UHFFFAOYSA-N	0	0	440.834	5.863	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1	ZINC000011650697	519267808	/nfs/dbraw/zinc/26/78/08/519267808.db2.gz	QIRLOZDGVOFQTL-IBGZPJMESA-N	0	0	448.573	5.347	50	30		IKEARN
CC#CCOc1ccc(CN(Cc2cccnc2)C(=O)/C=C/c2ccccc2Cl)cc1	ZINC000012243199	519344584	/nfs/dbraw/zinc/34/45/84/519344584.db2.gz	JTNZLEYBGMMMOK-NTCAYCPXSA-N	0	0	430.935	5.379	50	30		IKEARN
CC(=O)C1=C(C)N[C@@H](c2ccc(Cl)c(Cl)c2)N[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019943873	519366213	/nfs/dbraw/zinc/36/62/13/519366213.db2.gz	FOUPCSKNFATMEY-RBUKOAKNSA-N	0	0	430.162	6.096	50	30		IKEARN
CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	ZINC000002752754	519370171	/nfs/dbraw/zinc/37/01/71/519370171.db2.gz	WHMZWEKRMVITAW-OAQYLSRUSA-N	0	0	443.355	5.773	50	30		IKEARN
CC(C)(c1ccccc1)c1ccc(OCCn2cc(/C=N/n3cnnc3)c3ccccc32)cc1	ZINC000006213073	519383137	/nfs/dbraw/zinc/38/31/37/519383137.db2.gz	VKMPUIGLVJRCNG-FDAWAROLSA-N	0	0	449.558	5.520	50	30		IKEARN
CC(C)C[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000012856315	519406110	/nfs/dbraw/zinc/40/61/10/519406110.db2.gz	BEFUWMVQNXRZDW-ACSYHNTCSA-N	0	0	438.571	7.337	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1c(C)cccc1C	ZINC000012810576	519473474	/nfs/dbraw/zinc/47/34/74/519473474.db2.gz	SRDPRZRZEGAVGA-CSKARUKUSA-N	0	0	445.371	6.647	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccccc2C(F)(F)F)cs1)c1ccc(C)c(C)c1	ZINC000012985602	519473517	/nfs/dbraw/zinc/47/35/17/519473517.db2.gz	QFLFNHBQXBXWIO-PKNBQFBNSA-N	0	0	444.478	6.359	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccc(Cl)cc2Cl)cs1)c1cccc(C)c1C	ZINC000012986229	519474638	/nfs/dbraw/zinc/47/46/38/519474638.db2.gz	YZVMJSYPKWAGOX-CSKARUKUSA-N	0	0	445.371	6.647	50	30		IKEARN
CC(=O)N(c1nc(/C=C/C(=O)c2ccc3c(c2)OCCO3)cs1)c1cccc(C)c1C	ZINC000012804005	519474871	/nfs/dbraw/zinc/47/48/71/519474871.db2.gz	BPIGDRHWRNNCJS-CMDGGOBGSA-N	0	0	434.517	5.112	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	ZINC000009861335	519476317	/nfs/dbraw/zinc/47/63/17/519476317.db2.gz	LYAHDSCFKXKAOR-JOCHJYFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC(C)CC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2cccc(C(F)(F)F)c2)C1=O	ZINC000003064376	519609666	/nfs/dbraw/zinc/60/96/66/519609666.db2.gz	MPSDQRYLWWPNPP-XHPQRKPJSA-N	0	0	438.833	5.199	50	30		IKEARN
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Cl)C1=C(CCCC1=O)N2	ZINC000016361192	519679499	/nfs/dbraw/zinc/67/94/99/519679499.db2.gz	PJJAFTPIZNPITC-QGZVFWFLSA-N	0	0	429.973	5.126	50	30		IKEARN
CC(=O)Nc1c(-c2ccc(C)cc2)c(C)nn1-c1ccc(C(=O)Nc2cccc(C#N)c2)cc1	ZINC000033037208	519701641	/nfs/dbraw/zinc/70/16/41/519701641.db2.gz	PFTIPUXIQAYFHP-UHFFFAOYSA-N	0	0	449.514	5.239	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1	ZINC000253505648	519757693	/nfs/dbraw/zinc/75/76/93/519757693.db2.gz	VOETZVYTDQTIBX-MUIBDYHCSA-N	0	0	446.588	5.239	50	30	biogenic	IKEARN
CC(C)Oc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1	ZINC000013568681	519782087	/nfs/dbraw/zinc/78/20/87/519782087.db2.gz	YSNMAQAFVVBILW-WXTAPIANSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)Oc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1cccs1)C2	ZINC000013568544	519784910	/nfs/dbraw/zinc/78/49/10/519784910.db2.gz	XNPQQCZYFCCLKP-QUGAMOGWSA-N	0	0	430.573	6.515	50	30		IKEARN
CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H]4CC(O)=C(C=O)C[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257350120	519790409	/nfs/dbraw/zinc/79/04/09/519790409.db2.gz	UXGWFWJQNSRBBQ-CNNJYEDQSA-N	0	0	426.685	7.895	50	30		IKEARN
CC(C)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009805293	519839563	/nfs/dbraw/zinc/83/95/63/519839563.db2.gz	ZWOYZOAVXBSZMW-IPBJYNAHSA-N	0	0	444.578	7.425	50	30		IKEARN
CCC1=NC(C(F)(F)F)(C(F)(F)F)C2=C(CC(C)(C)CC2=O)N1Cc1ccccc1	ZINC000020436136	519849319	/nfs/dbraw/zinc/84/93/19/519849319.db2.gz	CVNSDCUVIPKMIJ-UHFFFAOYSA-N	0	0	432.408	5.817	50	30		IKEARN
CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl	ZINC000009678670	519870694	/nfs/dbraw/zinc/87/06/94/519870694.db2.gz	NAUAFWKKQMTFAE-QHCPKHFHSA-N	0	0	429.347	6.300	50	30		IKEARN
CCCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC	ZINC000001440053	519881496	/nfs/dbraw/zinc/88/14/96/519881496.db2.gz	UEOQDOBFGOJTCW-NDEPHWFRSA-N	0	0	441.527	6.227	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@H]1c1ccco1	ZINC000012652491	519883913	/nfs/dbraw/zinc/88/39/13/519883913.db2.gz	RTLVASMBPGAUNB-UPCLLVRISA-N	0	0	431.492	5.366	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1	ZINC000021722888	519883954	/nfs/dbraw/zinc/88/39/54/519883954.db2.gz	AIWDFLWXFYSPMZ-DEOSSOPVSA-N	0	0	433.552	5.431	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000012652486	519884009	/nfs/dbraw/zinc/88/40/09/519884009.db2.gz	RTLVASMBPGAUNB-FYSMJZIKSA-N	0	0	431.492	5.366	50	30		IKEARN
CCCNC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000012652478	519884108	/nfs/dbraw/zinc/88/41/08/519884108.db2.gz	RTLVASMBPGAUNB-GYCJOSAFSA-N	0	0	431.492	5.366	50	30		IKEARN
CCCCC(=O)O/N=C1/c2cc(Cl)ccc2N(Cc2ccc(Cl)c(Cl)c2)C1=O	ZINC000003064282	519916753	/nfs/dbraw/zinc/91/67/53/519916753.db2.gz	SSBRTYXCNLMYHU-CLCOLTQESA-N	0	0	439.726	5.631	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2CC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cnn(C)c1C	ZINC000006635081	519928546	/nfs/dbraw/zinc/92/85/46/519928546.db2.gz	SVGLNJIGDXUCDK-SANMLTNESA-N	0	0	433.596	5.625	50	30		IKEARN
CCCCCCCC(=O)NCc1ccc(-c2nc(-c3cc(OC)ccc3OC)c[nH]2)cc1	ZINC000097940609	519963054	/nfs/dbraw/zinc/96/30/54/519963054.db2.gz	NFZFQXSSSYCWNF-UHFFFAOYSA-N	0	0	435.568	5.738	50	30		IKEARN
CCCCCCCCC(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(F)cc3F)ccc2o1	ZINC000102996011	519971616	/nfs/dbraw/zinc/97/16/16/519971616.db2.gz	UOUOFESPRJTXGB-QHCPKHFHSA-N	0	0	440.534	7.187	50	30		IKEARN
CCCCCCCCC(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccc(F)cc2)cc1	ZINC000098021529	519973804	/nfs/dbraw/zinc/97/38/04/519973804.db2.gz	CNBUYNOJKFWSOL-XMMPIXPASA-N	0	0	428.573	6.293	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2cccc(C)c2)c1	ZINC000098021573	519977110	/nfs/dbraw/zinc/97/71/10/519977110.db2.gz	GILYKPZRGKMCBT-SANMLTNESA-N	0	0	438.637	6.853	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@H]2SCC(=O)N2c2ccccc2F)c1	ZINC000098021293	519978331	/nfs/dbraw/zinc/97/83/31/519978331.db2.gz	BLVPXYUPLGJUBI-RUZDIDTESA-N	0	0	442.600	6.684	50	30		IKEARN
CCCCCCCCCC(=O)OCCN1CCN(C(=O)CCCCCCCCC)CC1	ZINC000095811635	519979096	/nfs/dbraw/zinc/97/90/96/519979096.db2.gz	ALPNPGVHCIWBHY-UHFFFAOYSA-N	0	0	438.697	5.955	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N(CC(=O)Nc1nc(C)c(C)s1)C(C)C	ZINC000103000661	519987423	/nfs/dbraw/zinc/98/74/23/519987423.db2.gz	QBBCVGARCAKNOM-UHFFFAOYSA-N	0	0	437.694	6.637	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N1CCS[C@@H]1c1cc(OC)ccc1OC	ZINC000103000776	519987788	/nfs/dbraw/zinc/98/77/88/519987788.db2.gz	BLPSQMIHQCCWPL-RUZDIDTESA-N	0	0	435.674	6.979	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N[C@H](Nn1cnnc1)C(Cl)(Cl)Cl	ZINC000097950948	519988505	/nfs/dbraw/zinc/98/85/05/519988505.db2.gz	NHYATYLVGJSZJG-QGZVFWFLSA-N	0	0	440.847	5.335	50	30		IKEARN
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC	ZINC000085530556	519995339	/nfs/dbraw/zinc/99/53/39/519995339.db2.gz	ZKHOYAKAFALNQD-UHFFFAOYSA-N	0	0	438.781	10.322	50	30	biogenic,in-vitro	IKEARN
CCCCCCCCCCCCCCCCNC(=O)COc1cc(C)ccc1C(C)C	ZINC000008400080	519999158	/nfs/dbraw/zinc/99/91/58/519999158.db2.gz	FHEBVPZQSARXAL-UHFFFAOYSA-N	0	0	431.705	8.095	50	30		IKEARN
CCCCCCCCCCCCCCNc1ccc(P(=O)(OCC)OCC)cc1	ZINC000100041204	520005969	/nfs/dbraw/zinc/00/59/69/520005969.db2.gz	XQVBVGHNDNUNSQ-UHFFFAOYSA-N	0	0	425.594	7.691	50	30		IKEARN
CCCCCCCCCCCCNC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC	ZINC000070672661	520009289	/nfs/dbraw/zinc/00/92/89/520009289.db2.gz	RKWHXWYFZGCTMG-QHCPKHFHSA-N	0	0	429.605	5.472	50	30	biogenic	IKEARN
CCCCCCCCCCCCNC(=O)CC(=O)NCCCCCCCCCCCC	ZINC000096022905	520009869	/nfs/dbraw/zinc/00/98/69/520009869.db2.gz	WXJWELMRIUKHGH-UHFFFAOYSA-N	0	0	438.741	7.451	50	30		IKEARN
CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@H]21	ZINC000070670017	520012205	/nfs/dbraw/zinc/01/22/05/520012205.db2.gz	WHLBCNRCXJZXMF-CDJZJNNCSA-N	0	0	428.610	5.320	50	30	biogenic	IKEARN
CCCCCCCCCCCCOP(N)(=O)OCCCCCCCCCCCC	ZINC000073417728	520012429	/nfs/dbraw/zinc/01/24/29/520012429.db2.gz	DWSIVZLNCWRJHW-UHFFFAOYSA-N	0	0	433.658	8.928	50	30		IKEARN
CCCCCCCCCCCCOC[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]2OC(C)(C)O[C@@H]21	ZINC000248294845	520012516	/nfs/dbraw/zinc/01/25/16/520012516.db2.gz	WHLBCNRCXJZXMF-ZSYZGHEHSA-N	0	0	428.610	5.320	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)cc1	ZINC000097997736	520020977	/nfs/dbraw/zinc/02/09/77/520020977.db2.gz	AMRQYSSERUQRDI-QJOMJCCJSA-N	0	0	449.547	6.279	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\C(C)=C\c3ccccc3)C(=O)O2)cc1	ZINC000097997731	520021602	/nfs/dbraw/zinc/02/16/02/520021602.db2.gz	HAAJZFNWQFPTJC-RMHGVJGPSA-N	0	0	445.603	7.497	50	30		IKEARN
CCCCCCCCCCc1ccc(NC(=O)N(c2ccccc2)c2ccccc2)cc1	ZINC000101174307	520025664	/nfs/dbraw/zinc/02/56/64/520025664.db2.gz	SJFJTXGVRWRVFF-UHFFFAOYSA-N	0	0	428.620	8.740	50	30		IKEARN
CCCCCCCCCNc1c2cc(Br)ccc2nc2c1C(=O)CC(C)(C)C2	ZINC000053319471	520028147	/nfs/dbraw/zinc/02/81/47/520028147.db2.gz	AXIKBAJZCMGMSL-UHFFFAOYSA-N	0	0	445.445	7.315	50	30		IKEARN
CCCCCCCCNc1c(Cc2ccc(C)cc2)c(C)c(C#N)c2nc3ccccc3n21	ZINC000096021497	520037278	/nfs/dbraw/zinc/03/72/78/520037278.db2.gz	ZROIAVRXDOTFFR-UHFFFAOYSA-N	0	0	438.619	7.339	50	30		IKEARN
CCCCCCCCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc21	ZINC000002387463	520040011	/nfs/dbraw/zinc/04/00/11/520040011.db2.gz	MWDIDECVCXVCGK-UHFFFAOYSA-N	0	0	440.381	7.182	50	30		IKEARN
CCCCCCCCOCC12CO[C@@H](c3ccc(F)cc3)N1[C@H](c1ccc(F)cc1)OC2	ZINC000103678688	520042116	/nfs/dbraw/zinc/04/21/16/520042116.db2.gz	CVIAQUAIMWJTQD-DQEYMECFSA-N	0	0	445.550	6.141	50	30		IKEARN
CCCCCCCCOc1ccc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1	ZINC000097996984	520043360	/nfs/dbraw/zinc/04/33/60/520043360.db2.gz	DEISOKKYSDYOEK-AWSUPERCSA-N	0	0	443.675	8.644	50	30		IKEARN
CCCCCCCCOc1ccc(OC(=O)c2ccc(OCCCCCC)cc2)cc1	ZINC000097997933	520044199	/nfs/dbraw/zinc/04/41/99/520044199.db2.gz	JILNXFQHZJPCMP-UHFFFAOYSA-N	0	0	426.597	7.604	50	30	biogenic	IKEARN
CCCCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3	ZINC000053307960	520044696	/nfs/dbraw/zinc/04/46/96/520044696.db2.gz	WVHZVRGAZFOLNR-UHFFFAOYSA-N	0	0	441.710	7.769	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc21	ZINC000002385128	520054125	/nfs/dbraw/zinc/05/41/25/520054125.db2.gz	FEMCXNABPLZRQT-UHFFFAOYSA-N	0	0	443.551	5.059	50	30		IKEARN
CCCCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1ccc(Br)cc1	ZINC000050861915	520056210	/nfs/dbraw/zinc/05/62/10/520056210.db2.gz	KNKQDUJBCIIGCW-UHFFFAOYSA-N	0	0	428.374	5.797	50	30		IKEARN
CCCCCCCOc1c(C(=O)c2ccccc2)cc2c3c(cccc13)C(=O)c1ccccc1-2	ZINC000100368523	520061154	/nfs/dbraw/zinc/06/11/54/520061154.db2.gz	JVCPSMYEYWMKLR-UHFFFAOYSA-N	0	0	448.562	7.631	50	30		IKEARN
CCCCCCCOC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc21	ZINC000002335735	520062164	/nfs/dbraw/zinc/06/21/64/520062164.db2.gz	PQDNDNIEXRGGMO-UHFFFAOYSA-N	0	0	446.551	5.600	50	30		IKEARN
CCCCCCCOc1ccc(S(=O)(=O)c2ccc(OCCCCCCC)cc2)cc1	ZINC000096022892	520064019	/nfs/dbraw/zinc/06/40/19/520064019.db2.gz	PAIMTIKEDXKGRS-UHFFFAOYSA-N	0	0	446.653	7.218	50	30		IKEARN
CCCCCCCOc1ccc(/C=N/NC(=S)NCc2ccc(OC(C)C)cc2)cc1	ZINC000100686537	520064392	/nfs/dbraw/zinc/06/43/92/520064392.db2.gz	KYQDARWHPWETHM-ZXVVBBHZSA-N	0	0	441.641	5.821	50	30		IKEARN
CCCCCCCOc1ccc(OC(=O)c2ccc(-c3ccc(CCC)cn3)cc2)cc1	ZINC000097998414	520064664	/nfs/dbraw/zinc/06/46/64/520064664.db2.gz	YAQVLGMAXBXGFO-UHFFFAOYSA-N	0	0	431.576	7.270	50	30		IKEARN
CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Cl)cc3Cl)C(=O)O2)cc1	ZINC000097997897	520064675	/nfs/dbraw/zinc/06/46/75/520064675.db2.gz	IENAOGUKRFUZDR-STZFKDTASA-N	0	0	432.347	6.687	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCC3	ZINC000002296420	520065623	/nfs/dbraw/zinc/06/56/23/520065623.db2.gz	JTHWGRIUIOBJKG-UHFFFAOYSA-N	0	0	428.623	6.007	50	30		IKEARN
CCCCCCCc1ccc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1	ZINC000100917919	520069669	/nfs/dbraw/zinc/06/96/69/520069669.db2.gz	HUNXAMJCNBVBKA-XMMPIXPASA-N	0	0	429.560	5.941	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(Cl)c2)c1=O	ZINC000002401935	520072018	/nfs/dbraw/zinc/07/20/18/520072018.db2.gz	YZLXITGWVUGZTN-UHFFFAOYSA-N	0	0	445.954	5.907	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(C)c2)c1=O	ZINC000002410966	520072182	/nfs/dbraw/zinc/07/21/82/520072182.db2.gz	OUOHHSITXBUNRV-UHFFFAOYSA-N	0	0	425.536	5.562	50	30		IKEARN
CCCCCCCn1cc(OC(=O)C(C)C)c2c3nc4ccccc4n3c(C(C)C)nc21	ZINC000002326269	520073045	/nfs/dbraw/zinc/07/30/45/520073045.db2.gz	LFEKAHZLLJMPIM-UHFFFAOYSA-N	0	0	434.584	6.492	50	30		IKEARN
CCCCCCn1cnc2c(c3nc4ccccc4nc3n2/N=C/c2cccc(C)c2)c1=O	ZINC000013803750	520138756	/nfs/dbraw/zinc/13/87/56/520138756.db2.gz	MUDMAZVWZSDGLO-LQKURTRISA-N	0	0	438.535	5.065	50	30		IKEARN
CCCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(C)cc2)C2=C1CC(C)(C)CC2=O	ZINC000004562813	520180072	/nfs/dbraw/zinc/18/00/72/520180072.db2.gz	XYUPYRRVVTWALL-UHFFFAOYSA-N	0	0	433.636	6.871	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Br)c1	ZINC000002055155	520206882	/nfs/dbraw/zinc/20/68/82/520206882.db2.gz	OJJOXPNKKIAKSJ-IBGZPJMESA-N	0	0	432.358	5.006	50	30		IKEARN
CC1(C)CC(=O)C(I)=C(Nc2ccc(OC(F)(F)F)cc2)C1	ZINC000012856762	520252261	/nfs/dbraw/zinc/25/22/61/520252261.db2.gz	XCMUTAYDYKSTDH-UHFFFAOYSA-N	0	0	425.188	5.033	50	30		IKEARN
CC1(C)CC(=O)C(C(c2ccc(Br)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1	ZINC000100006855	520253973	/nfs/dbraw/zinc/25/39/73/520253973.db2.gz	NAVBTWPITMDHNM-LJQANCHMSA-N	0	0	447.369	5.308	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C1=C(C(=O)CC(C)(C)C1)C2c1cccs1	ZINC000000681658	520255625	/nfs/dbraw/zinc/25/56/25/520255625.db2.gz	WCCKNWNZIOQPOF-UHFFFAOYSA-N	0	0	445.628	6.634	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1cccs1	ZINC000009597331	520258609	/nfs/dbraw/zinc/25/86/09/520258609.db2.gz	HMCRSQOPSUURSL-LJQANCHMSA-N	0	0	449.601	5.324	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1cccc(Br)c1	ZINC000000663065	520258815	/nfs/dbraw/zinc/25/88/15/520258815.db2.gz	NTAHEAFMDPYKQC-PZJWPPBQSA-N	0	0	434.333	5.491	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccc(F)cc4)cnn3[C@@H]2c2ccc(F)cc2)C1	ZINC000064873966	520259859	/nfs/dbraw/zinc/25/98/59/520259859.db2.gz	SIMFEUSQLHGFRY-JOCHJYFZSA-N	0	0	448.473	5.072	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cc(-c4ccc([N+](=O)[O-])cc4)nn3[C@H]2c2ccc(Cl)cc2)C1	ZINC000021658657	520260112	/nfs/dbraw/zinc/26/01/12/520260112.db2.gz	OFBJWBOXZRGQKN-QHCPKHFHSA-N	0	0	448.910	5.770	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)NC1CCCC1)[C@H]2c1ccc(F)cc1	ZINC000021722168	520262297	/nfs/dbraw/zinc/26/22/97/520262297.db2.gz	ZANWQEGAPSFBSQ-VWLOTQADSA-N	0	0	447.554	6.094	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccc(F)cc1)[C@H]2c1ccco1	ZINC000021722208	520262344	/nfs/dbraw/zinc/26/23/44/520262344.db2.gz	AUEIMCPMWHAKJR-DEOSSOPVSA-N	0	0	445.494	6.267	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Cc1ccccc1)[C@@H]2c1cccs1	ZINC000018136976	520263196	/nfs/dbraw/zinc/26/31/96/520263196.db2.gz	BLCMSKCJGVKIDG-AREMUKBSSA-N	0	0	442.584	6.134	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@@H]2c1ccccc1	ZINC000021722079	520263271	/nfs/dbraw/zinc/26/32/71/520263271.db2.gz	YTQOWEQCYKXAEZ-AREMUKBSSA-N	0	0	437.543	6.535	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@@H]2[C@H]1CC=CCC1	ZINC000009483178	520264583	/nfs/dbraw/zinc/26/45/83/520264583.db2.gz	SBXTZUYFCSRDJV-CCLHPLFOSA-N	0	0	447.623	5.299	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000009008885	520266603	/nfs/dbraw/zinc/26/66/03/520266603.db2.gz	VJTJLCNHVVRRIN-XMMPIXPASA-N	0	0	429.476	6.077	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OCc2ccccc2F)cc1	ZINC000012402406	520266664	/nfs/dbraw/zinc/26/66/64/520266664.db2.gz	AZXBZCYPCIUTBU-HHHXNRCGSA-N	0	0	442.534	6.627	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@H]2c2ccccc2)C1	ZINC000020850502	520267233	/nfs/dbraw/zinc/26/72/33/520267233.db2.gz	JQMNDMOPLWXOSP-NRFANRHFSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cc(Cl)ccc2OC(F)F)C1	ZINC000004786561	520268104	/nfs/dbraw/zinc/26/81/04/520268104.db2.gz	AWKYQUZCZATWAC-FQEVSTJZSA-N	0	0	443.881	5.949	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(SCc4cccc(F)c4)nn3[C@@H]2c2ccccc2)C1	ZINC000020850499	520268523	/nfs/dbraw/zinc/26/85/23/520268523.db2.gz	JQMNDMOPLWXOSP-OAQYLSRUSA-N	0	0	434.540	5.368	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(-c4cccs4)nc3c1[C@@H]2c1ccccc1	ZINC000002417245	520270843	/nfs/dbraw/zinc/27/08/43/520270843.db2.gz	YTBGEMBZTTWNQV-GOSISDBHSA-N	0	0	428.517	5.020	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@H](c1ccc(OC)cc1)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850231	520273013	/nfs/dbraw/zinc/27/30/13/520273013.db2.gz	NMLGVKZAYABCJW-HXUWFJFHSA-N	0	0	426.586	5.227	50	30		IKEARN
CCCCCSc1nc2n(n1)[C@@H](c1ccccc1OC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850345	520273317	/nfs/dbraw/zinc/27/33/17/520273317.db2.gz	GOYXPUDPZNLWIK-FQEVSTJZSA-N	0	0	426.586	5.227	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)CC(C)(C)C1)C2c1cccc(Oc2ccccc2)c1	ZINC000013176518	520287502	/nfs/dbraw/zinc/28/75/02/520287502.db2.gz	RREADCRJTXDABK-VWLOTQADSA-N	0	0	441.571	7.292	50	30		IKEARN
CCCOc1ccc(Br)cc1/C=C1\S/C(=N/c2ccc(C)cc2C)NC1=O	ZINC000012652796	520322629	/nfs/dbraw/zinc/32/26/29/520322629.db2.gz	KXXDJEYBQBFXQM-UNOMPAQXSA-N	0	0	445.382	5.746	50	30		IKEARN
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccccc2F)cc1C	ZINC000013122085	520330734	/nfs/dbraw/zinc/33/07/34/520330734.db2.gz	WUFDHUTXBVGMFP-QHCPKHFHSA-N	0	0	446.478	5.101	50	30		IKEARN
CCCC[N@H+](C)Cc1c2c(ccc1[O-])C(=O)/C(=C\c1cn(CC)c3ccc(OC)cc13)O2	ZINC000020646651	520417440	/nfs/dbraw/zinc/41/74/40/520417440.db2.gz	BNCBZIGIGYJUDJ-ZMOGYAJESA-N	0	0	434.536	5.224	50	30		IKEARN
CCCOc1ccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000008426804	520432294	/nfs/dbraw/zinc/43/22/94/520432294.db2.gz	VTAUTJAZIHITQQ-SANMLTNESA-N	0	0	445.559	5.229	50	30		IKEARN
CCCOc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000008892466	520434577	/nfs/dbraw/zinc/43/45/77/520434577.db2.gz	QRFJIXQSKWMRLJ-PIKZIKFNSA-N	0	0	449.550	7.180	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000013546947	520436208	/nfs/dbraw/zinc/43/62/08/520436208.db2.gz	LXYQEMYXQSEUKH-HXNPFYCNSA-N	0	0	430.573	6.561	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccccc2Cl)o1	ZINC000000629415	520496157	/nfs/dbraw/zinc/49/61/57/520496157.db2.gz	LNGUJIJRGOTNDZ-QHCPKHFHSA-N	0	0	439.939	5.767	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(SC)cc1	ZINC000001130156	520498826	/nfs/dbraw/zinc/49/88/26/520498826.db2.gz	SAXCBFNQTZAPLH-CYFREDJKSA-N	0	0	433.573	5.333	50	30		IKEARN
CCOC(=O)C1=C(CC)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1	ZINC000019314531	520506760	/nfs/dbraw/zinc/50/67/60/520506760.db2.gz	WGTIFUWEMHRDIA-SFHVURJKSA-N	0	0	432.358	5.006	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc(C(F)(F)F)c2)SC(=Cc2cccc(C)c2O)C1=O	ZINC000036257884	520535766	/nfs/dbraw/zinc/53/57/66/520535766.db2.gz	VLLHHQJSIHWCCH-MHWRWJLKSA-N	0	0	449.450	5.263	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Sc3ccccc3)o2)C1=O	ZINC000006173527	520538904	/nfs/dbraw/zinc/53/89/04/520538904.db2.gz	LVCGAFLGEIVVCB-CYVLTUHYSA-N	0	0	449.553	5.974	50	30		IKEARN
CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N/c1ccc(F)cc1	ZINC000100117583	520545439	/nfs/dbraw/zinc/54/54/39/520545439.db2.gz	BNXHYJGYFILIDX-PZHNNBNVSA-N	0	0	432.926	6.435	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C	ZINC000013286232	520553392	/nfs/dbraw/zinc/55/33/92/520553392.db2.gz	MRMVEXZDGFXVGY-YJOHERITSA-N	0	0	444.025	6.423	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\Cc1ccccc1	ZINC000013286179	520553487	/nfs/dbraw/zinc/55/34/87/520553487.db2.gz	MFFMEFJPFXZRQY-YJOHERITSA-N	0	0	444.025	5.983	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)cc1O	ZINC000013286336	520556633	/nfs/dbraw/zinc/55/66/33/520556633.db2.gz	IELOJIVTFDAMDC-BEIQUOEZSA-N	0	0	425.579	5.475	50	30		IKEARN
CCCCN1c2ccccc2/C(=C2/S/C(=N\c3ccc(Cl)cc3)N(C)C2=O)C1=O	ZINC000100311204	520599260	/nfs/dbraw/zinc/59/92/60/520599260.db2.gz	JJIBUHATVABDNO-HSHDLNIQSA-N	0	0	425.941	5.091	50	30		IKEARN
CCOc1cc(/C=C2/c3ccccc3NC2=O)cc(Cl)c1OCc1ccccc1C#N	ZINC000012469108	520626706	/nfs/dbraw/zinc/62/67/06/520626706.db2.gz	JMTZDKPCHURSDM-JAIQZWGSSA-N	0	0	430.891	5.682	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC(C)C)C2=O)ccc1O	ZINC000059398477	520631684	/nfs/dbraw/zinc/63/16/84/520631684.db2.gz	CCIADQUOKKTSCR-FQUZHOSTSA-N	0	0	426.538	5.060	50	30		IKEARN
CCOc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1	ZINC000025760865	520639990	/nfs/dbraw/zinc/63/99/90/520639990.db2.gz	LQPKZQRNFWFWJT-MFKUBSTISA-N	0	0	446.016	5.448	50	30		IKEARN
CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OC	ZINC000008399846	520642089	/nfs/dbraw/zinc/64/20/89/520642089.db2.gz	NZYOMTIPYJXZGK-VXLYETTFSA-N	0	0	428.124	5.065	50	30		IKEARN
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000716594	520689784	/nfs/dbraw/zinc/68/97/84/520689784.db2.gz	RUAJHOHNJOQXRY-UHFFFAOYSA-N	0	0	444.955	5.845	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1Cl	ZINC000002055108	520700058	/nfs/dbraw/zinc/70/00/58/520700058.db2.gz	AESGGEWVVJMBOS-LJQANCHMSA-N	0	0	436.379	5.941	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000001175545	520803636	/nfs/dbraw/zinc/80/36/36/520803636.db2.gz	IKGZULVYGBZODF-XMMPIXPASA-N	0	0	447.554	5.134	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000000689617	520808104	/nfs/dbraw/zinc/80/81/04/520808104.db2.gz	UZWHFSOTMFIAEN-JOCHJYFZSA-N	0	0	438.930	5.722	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019634635	520817866	/nfs/dbraw/zinc/81/78/66/520817866.db2.gz	USDMBBGSNOGXPP-WXVAWEFUSA-N	0	0	441.571	5.924	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000002055129	520818980	/nfs/dbraw/zinc/81/89/80/520818980.db2.gz	MZGLMJVWCWYORV-HXUWFJFHSA-N	0	0	448.390	6.083	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000019827747	520823712	/nfs/dbraw/zinc/82/37/12/520823712.db2.gz	RCFHNUKWLMEQBX-XMMPIXPASA-N	0	0	433.523	5.216	50	30		IKEARN
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000019855105	520825909	/nfs/dbraw/zinc/82/59/09/520825909.db2.gz	OIKKHQBJFZQQSO-JOCHJYFZSA-N	0	0	442.342	5.705	50	30		IKEARN
CC1=Nc2nc3ccccc3n2[C@H](c2ccc(Cl)cc2Cl)C1C(=O)c1ccccc1	ZINC000012416647	520826542	/nfs/dbraw/zinc/82/65/42/520826542.db2.gz	MBAKNYDGHLYQIR-JOCHJYFZSA-N	0	0	434.326	6.515	50	30		IKEARN
CCOc1ccc(C(C)N=Nc2ncnc3sc4c(c32)C[C@H](C(C)(C)CC)CC4)cc1	ZINC000025559709	520843196	/nfs/dbraw/zinc/84/31/96/520843196.db2.gz	DAYFHCCTDUYHQJ-GBYSFBBLSA-N	0	0	436.625	6.467	50	30		IKEARN
CCOc1ccc(/C=C2\CC(C(C)(C)CC)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1	ZINC000004826605	520850093	/nfs/dbraw/zinc/85/00/93/520850093.db2.gz	NCQYAEUIPQEULU-GJHDBBOXSA-N	0	0	432.604	7.366	50	30		IKEARN
CCN(CC)c1ccc(/C=C(/C(=O)c2ccccc2)c2nc3ccccc3s2)c(O)c1	ZINC000012819956	520880081	/nfs/dbraw/zinc/88/00/81/520880081.db2.gz	JGPJIQMERUPFDL-PGMHBOJBSA-N	0	0	428.557	6.272	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)c(C)c1	ZINC000012486226	520882166	/nfs/dbraw/zinc/88/21/66/520882166.db2.gz	ANMSONZOHGCQJK-QFIPXVFZSA-N	0	0	448.906	5.225	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000008396798	520918195	/nfs/dbraw/zinc/91/81/95/520918195.db2.gz	AZSQKYMBAGGFGD-AREMUKBSSA-N	0	0	445.559	5.577	50	30		IKEARN
CCOc1ccc(C(C2C(=O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)cc1OC	ZINC000096514194	520928414	/nfs/dbraw/zinc/92/84/14/520928414.db2.gz	ORMKCMYXXNPOFC-UHFFFAOYSA-N	0	0	442.552	5.580	50	30		IKEARN
CCOc1ccc(CC(NCCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC	ZINC000100148062	520941283	/nfs/dbraw/zinc/94/12/83/520941283.db2.gz	BTOXZDWXMCWYDO-UHFFFAOYSA-N	0	0	449.591	5.071	50	30		IKEARN
CCCCSc1nc2n(n1)[C@@H](c1ccccc1OCC)C1C(=O)CC(C)(C)CC1=N2	ZINC000020850772	520979418	/nfs/dbraw/zinc/97/94/18/520979418.db2.gz	KLJWGWQOMKMPBK-FQEVSTJZSA-N	0	0	426.586	5.227	50	30		IKEARN
CCOc1ccc(N(C)c2ccc(/C=C3/Sc4ccc5ccccc5c4C3=O)cc2)cc1	ZINC000027520478	521021856	/nfs/dbraw/zinc/02/18/56/521021856.db2.gz	QYBVUFNRHHZGAH-NLRVBDNBSA-N	0	0	437.564	7.336	50	30		IKEARN
CCOc1ccc(N2COc3c(C)c4c(cc3C2)C(=O)/C(=C/c2ccc(OC)cc2)O4)cc1	ZINC000009060753	521043163	/nfs/dbraw/zinc/04/31/63/521043163.db2.gz	LUWYHIVQFNLEST-CFRMEGHHSA-N	0	0	443.499	5.375	50	30		IKEARN
CCCC[C@@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000013617429	521118588	/nfs/dbraw/zinc/11/85/88/521118588.db2.gz	WLVVQLIZCFBEMH-QITWFEPBSA-N	0	0	445.588	5.873	50	30		IKEARN
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(C(C)C)cc2)cc1OC	ZINC000013568496	521240742	/nfs/dbraw/zinc/24/07/42/521240742.db2.gz	APWHKHLFUGVKQB-SFTDATJTSA-N	0	0	433.548	5.222	50	30		IKEARN
CCCC[C@H]1S/C(=N/N=C/c2ccc(OC)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000013617431	521252989	/nfs/dbraw/zinc/25/29/89/521252989.db2.gz	WLVVQLIZCFBEMH-BRMRTEOQSA-N	0	0	445.588	5.873	50	30		IKEARN
CCOc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1	ZINC000009731771	521269279	/nfs/dbraw/zinc/26/92/79/521269279.db2.gz	PADYTMQKGGZNIK-QHCPKHFHSA-N	0	0	444.535	5.011	50	30		IKEARN
CCCCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccnc2)cc1	ZINC000018198748	521274160	/nfs/dbraw/zinc/27/41/60/521274160.db2.gz	SABLQFQNCHYDFP-XMMPIXPASA-N	0	0	426.516	5.516	50	30		IKEARN
CCCCc1ccc(N2C=C(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc32)cc1	ZINC000032984148	521274404	/nfs/dbraw/zinc/27/44/04/521274404.db2.gz	VHAYGGMUMPFYQC-UHFFFAOYSA-N	0	0	431.557	5.987	50	30		IKEARN
CCOc1ccc([C@H]2c3c([nH]n(-c4ccccc4)c3=O)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000012346911	521274977	/nfs/dbraw/zinc/27/49/77/521274977.db2.gz	WQOFDWNGZPMCLV-OAQYLSRUSA-N	0	0	429.520	5.177	50	30		IKEARN
CCC(C)(C)C1C/C(=C\c2ccc3c(c2)OCO3)C(=O)/C(=C/c2ccc3c(c2)OCO3)C1	ZINC000012418567	521275501	/nfs/dbraw/zinc/27/55/01/521275501.db2.gz	XYUFDRCNZPGSGE-LQGKIZFRSA-N	0	0	432.516	6.026	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000021660457	521275635	/nfs/dbraw/zinc/27/56/35/521275635.db2.gz	IZMNHMUWDJVXOA-UUOWRZLLSA-N	0	0	430.504	5.349	50	30		IKEARN
CCCCn1c(/N=C/c2ccc(N(C)C)cc2)c(C#N)c(-c2ccccc2)c1-c1ccccc1	ZINC000100176678	521353424	/nfs/dbraw/zinc/35/34/24/521353424.db2.gz	CPQPOTZRQGTCLS-WEMUVCOSSA-N	0	0	446.598	7.310	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1	ZINC000019879799	521363957	/nfs/dbraw/zinc/36/39/57/521363957.db2.gz	XTGBMTDYYFWIIP-WMMPRDMWSA-N	0	0	438.597	5.696	50	30		IKEARN
CCCc1ccc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2n1	ZINC000013574718	521421681	/nfs/dbraw/zinc/42/16/81/521421681.db2.gz	VCAPLXIOBMSHOO-ACCUITESSA-N	0	0	447.585	6.041	50	30		IKEARN
CCOC(=O)c1cc(C#N)c(Sc2ccc(Cl)cc2Cl)nc1-c1ccccc1	ZINC000012338457	521428454	/nfs/dbraw/zinc/42/84/54/521428454.db2.gz	YCCBFQGKDLADPY-UHFFFAOYSA-N	0	0	429.328	6.255	50	30		IKEARN
CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)c3ccc(Br)cc3)o2)cc1	ZINC000012125021	521459871	/nfs/dbraw/zinc/45/98/71/521459871.db2.gz	UABRPSONZAGZLU-ACCUITESSA-N	0	0	425.278	5.782	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(Cl)ccc1OC	ZINC000013286417	521512500	/nfs/dbraw/zinc/51/25/00/521512500.db2.gz	JBRJJQPSKPEIBD-MGXYOJEMSA-N	0	0	431.970	5.343	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C2CCCCC2)cc1	ZINC000013286419	521512689	/nfs/dbraw/zinc/51/26/89/521512689.db2.gz	GZBNOXZWWFHUEE-SLJQUXCSSA-N	0	0	449.645	6.728	50	30		IKEARN
CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc(C(F)(F)F)c1	ZINC000013286414	521513419	/nfs/dbraw/zinc/51/34/19/521513419.db2.gz	MEQKKQNRCGBEPY-MRYQGKFNSA-N	0	0	435.496	5.699	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1cc(Cl)ccc1Cl	ZINC000008385141	521528431	/nfs/dbraw/zinc/52/84/31/521528431.db2.gz	FXVWHACBOFDDJZ-PWEHGMCJSA-N	0	0	440.327	5.113	50	30		IKEARN
CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1	ZINC000033412599	521541426	/nfs/dbraw/zinc/54/14/26/521541426.db2.gz	SLUYHMQHCNSIMF-BGPOSVGRSA-N	0	0	441.185	6.672	50	30		IKEARN
CCN1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C\c2ccc(Cl)c(Cl)c2)C1	ZINC000012648653	521542418	/nfs/dbraw/zinc/54/24/18/521542418.db2.gz	SLUYHMQHCNSIMF-BSHIDLADSA-N	0	0	441.185	6.672	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2	ZINC000028052426	521581587	/nfs/dbraw/zinc/58/15/87/521581587.db2.gz	YMVQRNONNZPEBD-BXKMTCNYSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOC(=O)c1sc(NC(C)C)nc1CSc1nc(C(F)(F)F)cc(C)c1C#N	ZINC000020607347	521615789	/nfs/dbraw/zinc/61/57/89/521615789.db2.gz	WRWMDGRSCPHZOI-UHFFFAOYSA-N	0	0	444.504	5.026	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@H](c1ccc(C(F)(F)F)cc1)C1=C(CCCC1=O)N2	ZINC000012579496	521617770	/nfs/dbraw/zinc/61/77/70/521617770.db2.gz	ORLCPCJHIRPNPH-KRWDZBQOSA-N	0	0	435.467	5.817	50	30		IKEARN
CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)SC1=S	ZINC000012630259	521698228	/nfs/dbraw/zinc/69/82/28/521698228.db2.gz	SVGKAHYTYKIKCU-BKUYFWCQSA-N	0	0	438.574	5.147	50	30		IKEARN
CCN1c2ccccc2S/C1=C\C=C1\S/C(=N\c2cccc3ncccc23)N(C)C1=O	ZINC000015985174	521730987	/nfs/dbraw/zinc/73/09/87/521730987.db2.gz	MLYQSWJIORZOBV-ONUWXRSBSA-N	0	0	444.585	5.785	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccccc1CC	ZINC000053239378	521805139	/nfs/dbraw/zinc/80/51/39/521805139.db2.gz	JZPDBACNEOGMFU-HXNPFYCNSA-N	0	0	428.557	6.326	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2cccc(O)c2)C(=O)N1c1ccccc1CC	ZINC000053276118	521805224	/nfs/dbraw/zinc/80/52/24/521805224.db2.gz	PBRJFQKUOYRTIB-HXNPFYCNSA-N	0	0	428.557	6.326	50	30		IKEARN
COc1cc(-c2c(C#N)c(N)nc3c2CCCCCC3)ccc1OCc1ccc(C)cc1	ZINC000036020649	521891800	/nfs/dbraw/zinc/89/18/00/521891800.db2.gz	MHGKBTNHGIWNDF-UHFFFAOYSA-N	0	0	427.548	5.758	50	30		IKEARN
CCc1ccccc1NC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000021355956	521893278	/nfs/dbraw/zinc/89/32/78/521893278.db2.gz	VGVXVFRZFLVXMX-VWLOTQADSA-N	0	0	427.504	6.054	50	30		IKEARN
COc1cc(/C=C2/CCC/C(=C/c3cc(Cl)c(O)c(OC)c3)C2=O)cc(Cl)c1O	ZINC000035073436	521950203	/nfs/dbraw/zinc/95/02/03/521950203.db2.gz	HVOVCVCXCXFKMY-LRSUZXNRSA-N	0	0	435.303	5.642	50	30		IKEARN
COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1cccc(C)c1	ZINC000012447502	521952998	/nfs/dbraw/zinc/95/29/98/521952998.db2.gz	PVVHWUQRMFXSOI-BUVRLJJBSA-N	0	0	444.556	5.783	50	30		IKEARN
COc1cc(C=C2SC(=O)N=C2Nc2ccccc2)ccc1OCc1c(C)noc1C	ZINC000095480742	521957783	/nfs/dbraw/zinc/95/77/83/521957783.db2.gz	HHQASCKLUFUAOE-CIAFOILYSA-N	0	0	435.505	5.611	50	30		IKEARN
COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O	ZINC000008872766	521991913	/nfs/dbraw/zinc/99/19/13/521991913.db2.gz	FTMCZHKLHUXNNT-AFUMVMLFSA-N	0	0	435.936	6.291	50	30		IKEARN
COc1cc(/C=N/n2cnnc2SCc2ccccc2)ccc1OCCc1ccccc1	ZINC000001780597	522004574	/nfs/dbraw/zinc/00/45/74/522004574.db2.gz	FSNCWLWXCQMMSJ-WPWMEQJKSA-N	0	0	444.560	5.083	50	30		IKEARN
COC(=O)c1ccc(COc2ccccc2/C=C2\CCc3cc(OC)ccc3C2=O)cc1	ZINC000013140830	522046409	/nfs/dbraw/zinc/04/64/09/522046409.db2.gz	ADHNONUXLDJNOE-PXLXIMEGSA-N	0	0	428.484	5.273	50	30		IKEARN
COC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1	ZINC000012139024	522051358	/nfs/dbraw/zinc/05/13/58/522051358.db2.gz	VGICGCCKSXYXKM-UHFFFAOYSA-N	0	0	436.536	6.366	50	30		IKEARN
CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)C=CNc3ccc(Cl)cc3)c2)n1	ZINC000091695708	522118792	/nfs/dbraw/zinc/11/87/92/522118792.db2.gz	OKZJNZFHTJRZGE-ZHACJKMWSA-N	0	0	445.872	6.295	50	30		IKEARN
CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2cccc(Cl)c2)cc1	ZINC000095101201	522139972	/nfs/dbraw/zinc/13/99/72/522139972.db2.gz	JYLJVECKHGUUMG-JVWAILMASA-N	0	0	445.906	6.031	50	30		IKEARN
CN(C)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000006077086	522159073	/nfs/dbraw/zinc/15/90/73/522159073.db2.gz	LGRSYDUNFLNQCE-UHFFFAOYSA-N	0	0	438.524	5.061	50	30		IKEARN
COC(=O)c1ccccc1-c1ccc(/C=C2\S/C(=N/c3ccccc3Cl)NC2=O)o1	ZINC000033291507	522253092	/nfs/dbraw/zinc/25/30/92/522253092.db2.gz	YFUKDNFDIIYZKM-UNOMPAQXSA-N	0	0	438.892	5.278	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000001177557	522307416	/nfs/dbraw/zinc/30/74/16/522307416.db2.gz	NDLUPDDIAFUBRD-UHFFFAOYSA-N	0	0	443.971	5.370	50	30		IKEARN
COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/OCc1c(Cl)cccc1Cl	ZINC000012950860	522400724	/nfs/dbraw/zinc/40/07/24/522400724.db2.gz	OSUZGKQOCFHSAM-AUEPDCJTSA-N	0	0	438.698	5.170	50	30		IKEARN
CO/N=C1\CC(C)(C)Cc2c(-c3ccn(C(=O)c4cccs4)n3)sc(SC)c21	ZINC000013466151	522737260	/nfs/dbraw/zinc/73/72/60/522737260.db2.gz	BYUPZDYCRTZGGH-HYARGMPZSA-N	0	0	431.608	5.406	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3ccc(C#N)cc3)n2C2CCCCC2)c1	ZINC000035847521	522839001	/nfs/dbraw/zinc/83/90/01/522839001.db2.gz	YUAPDBBOACPSBS-UHFFFAOYSA-N	0	0	434.565	5.631	50	30		IKEARN
COc1cc(OC)cc(-c2nnc(SCc3cccc(C#N)c3)n2-c2ccccc2)c1	ZINC000035847628	522839626	/nfs/dbraw/zinc/83/96/26/522839626.db2.gz	JPOYACSFEAWDRS-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O	ZINC000027570832	522867860	/nfs/dbraw/zinc/86/78/60/522867860.db2.gz	HFMQGSNPACYRJH-KGENOOAVSA-N	0	0	433.891	5.786	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(-c2ccccc2Cl)o1	ZINC000000629404	522877906	/nfs/dbraw/zinc/87/79/06/522877906.db2.gz	PEGPZEMWPWLVTF-JOCHJYFZSA-N	0	0	425.912	5.377	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@@H]1c1c(F)cccc1Cl	ZINC000001130018	522881671	/nfs/dbraw/zinc/88/16/71/522881671.db2.gz	CCPSBZYGMFJUEL-PSLXWICFSA-N	0	0	443.877	5.153	50	30		IKEARN
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C	ZINC000013568608	522920807	/nfs/dbraw/zinc/92/08/07/522920807.db2.gz	UEOHFARGAVGEPV-WMZOPIPTSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)ccc1O	ZINC000013568558	522931672	/nfs/dbraw/zinc/93/16/72/522931672.db2.gz	SWQKAUBNQMTHIB-QLXKLKPCSA-N	0	0	430.479	5.519	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccccc2Cl)ccc1OC(C)C	ZINC000013568607	522956735	/nfs/dbraw/zinc/95/67/35/522956735.db2.gz	UEOHFARGAVGEPV-SJLPKXTDSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000036512708	522956852	/nfs/dbraw/zinc/95/68/52/522956852.db2.gz	JTPGPCPTIZVXAF-OAQYLSRUSA-N	0	0	439.552	5.526	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccccc2Cl)ccc1OC(C)C	ZINC000013568609	522956958	/nfs/dbraw/zinc/95/69/58/522956958.db2.gz	UEOHFARGAVGEPV-AEFFLSMTSA-N	0	0	439.939	5.140	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccc(Cl)cc2)ccc1O	ZINC000033321099	522958693	/nfs/dbraw/zinc/95/86/93/522958693.db2.gz	LLUMZAUJCNOVHZ-IVZQSRNASA-N	0	0	436.895	5.309	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000009805294	522965371	/nfs/dbraw/zinc/96/53/71/522965371.db2.gz	WWNARZZRAGABCP-AREMUKBSSA-N	0	0	442.515	5.478	50	30		IKEARN
COc1cc2c(cc1OC)C1=C[C@H](c3ccc(Cl)cc3)C3=C(CC(C)(C)CC3=O)N1CC2	ZINC000013576516	523022041	/nfs/dbraw/zinc/02/20/41/523022041.db2.gz	CCFKZAIUMVVHHW-HXUWFJFHSA-N	0	0	449.978	5.997	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018200058	523044331	/nfs/dbraw/zinc/04/43/31/523044331.db2.gz	HZZDGHGPDKORAN-RCDICMHDSA-N	0	0	437.586	6.093	50	30		IKEARN
COc1cc2c(cc1OC)[C@H](c1sccc1C)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018200056	523054009	/nfs/dbraw/zinc/05/40/09/523054009.db2.gz	HZZDGHGPDKORAN-FPTDNZKUSA-N	0	0	437.586	6.093	50	30		IKEARN
CCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccccc1Cl	ZINC000020602297	523063576	/nfs/dbraw/zinc/06/35/76/523063576.db2.gz	LBUHSGWMJTYWMN-UHFFFAOYSA-N	0	0	437.996	6.328	50	30		IKEARN
COc1ccc(-c2cc(-c3cccs3)nc(SCc3ccc(C#N)cc3)c2C#N)cc1	ZINC000012249687	523086596	/nfs/dbraw/zinc/08/65/96/523086596.db2.gz	QGXPKTMGCZANHO-UHFFFAOYSA-N	0	0	439.565	6.521	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccc(-c4ccccc4C#N)cc3)o2)c(OC)c1	ZINC000022416359	523262389	/nfs/dbraw/zinc/26/23/89/523262389.db2.gz	OLSKBEQSQOQKLF-UHFFFAOYSA-N	0	0	429.501	5.585	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc([O-])c3C[NH+]3C[C@H](C)C[C@@H](C)C3)C2=O)c2ccccc21	ZINC000020650219	523304743	/nfs/dbraw/zinc/30/47/43/523304743.db2.gz	NZJVEMLDYNICJQ-SYVXVWBXSA-N	0	0	430.548	5.461	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4cccc(Cl)c4)c3C)C2=O)c2ccccc21	ZINC000009422498	523305855	/nfs/dbraw/zinc/30/58/55/523305855.db2.gz	WCOWGGOSYCTFAU-AFUMVMLFSA-N	0	0	443.930	6.818	50	30		IKEARN
CCn1cc(/C=C2/Oc3cc(OC(=O)c4ccccc4Cl)ccc3C2=O)c2ccccc21	ZINC000008993597	523308056	/nfs/dbraw/zinc/30/80/56/523308056.db2.gz	WVPREXVVWJCVTA-ZMOGYAJESA-N	0	0	443.886	6.150	50	30		IKEARN
COc1ccc(-n2c(C)c(/C(C)=N\OCc3cccc(C)c3)cc2-c2ccc(F)cc2)cc1	ZINC000035843475	523311292	/nfs/dbraw/zinc/31/12/92/523311292.db2.gz	GQUROSNYZSBDAY-COEJQBHMSA-N	0	0	442.534	6.850	50	30		IKEARN
CCn1cc(C(=O)/C=C/c2ccc(COc3ccc(Br)c(Cl)c3)o2)c(C)n1	ZINC000022528939	523315380	/nfs/dbraw/zinc/31/53/80/523315380.db2.gz	ZNPOFZWMDFYJIV-VQHVLOKHSA-N	0	0	449.732	5.695	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1	ZINC000012497024	523399792	/nfs/dbraw/zinc/39/97/92/523399792.db2.gz	TZRSXQYFWJBVNN-GXDHUFHOSA-N	0	0	443.930	6.777	50	30		IKEARN
COc1ccc(/C=C2/CN(Cc3ccccc3)C/C(=C/c3ccc(OC)cc3)C2=O)cc1	ZINC000095093707	523409986	/nfs/dbraw/zinc/40/99/86/523409986.db2.gz	PUPGKKCPLWYJLH-YFJQDTPYSA-N	0	0	425.528	5.256	50	30		IKEARN
COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1	ZINC000036612258	523419468	/nfs/dbraw/zinc/41/94/68/523419468.db2.gz	FJIRFWDJPBXNKB-IQQYQOOISA-N	0	0	430.544	5.739	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc5ncccc5c3)CC(=O)O4)C2=O)cc1	ZINC000217738176	523423141	/nfs/dbraw/zinc/42/31/41/523423141.db2.gz	PQALWAMMDDOMKX-FKYOTISTSA-N	0	0	449.462	5.301	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3cc(OCc4cc(C)ccc4C)ccc3C2=O)c(OC)c1OC	ZINC000011869790	523424211	/nfs/dbraw/zinc/42/42/11/523424211.db2.gz	HLXLSHVDGRILLH-CFRMEGHHSA-N	0	0	446.499	5.524	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)c(OC)c1OC	ZINC000013654424	523425932	/nfs/dbraw/zinc/42/59/32/523425932.db2.gz	NIFKPOIFZVZXBG-IRDHKZPBSA-N	0	0	444.483	5.421	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2ccc(O)cc2)cc1CSc1nc2ccccc2s1	ZINC000035074592	523435171	/nfs/dbraw/zinc/43/51/71/523435171.db2.gz	PWZIBQSESXXLPX-SDQBBNPISA-N	0	0	433.554	6.199	50	30		IKEARN
COc1ccc(/C=N/N=C(/NC(=O)Nc2ccccc2)SCc2ccc(F)cc2)cc1	ZINC000012368627	523442074	/nfs/dbraw/zinc/44/20/74/523442074.db2.gz	HRPIWMDRJKDSQV-MFKUBSTISA-N	0	0	436.512	5.279	50	30		IKEARN
COc1ccc(/C=N/NC(=S)N[C@@H]2C[C@@H](C)CC(C)(C)C2)cc1OCc1ccccc1	ZINC000008648732	523444297	/nfs/dbraw/zinc/44/42/97/523444297.db2.gz	JZZUWEHFCXEDNH-QXTIAASZSA-N	0	0	439.625	5.287	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC	ZINC000008830077	523447294	/nfs/dbraw/zinc/44/72/94/523447294.db2.gz	NLZRIDQQYQHPRR-OPEKNORGSA-N	0	0	436.821	5.279	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(=O)N2C)cc1	ZINC000083309677	523466645	/nfs/dbraw/zinc/46/66/45/523466645.db2.gz	ICOCMJQUQQWCPW-GSSCTWANSA-N	0	0	435.461	5.097	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000012420324	523467569	/nfs/dbraw/zinc/46/75/69/523467569.db2.gz	CVLCOTMAMDSXPO-MKIITAJQSA-N	0	0	434.492	5.652	50	30		IKEARN
COC(=O)Nc1sc(N=NCc2ccc(Cl)cc2Cl)nc1-c1cccs1	ZINC000008868765	523479552	/nfs/dbraw/zinc/47/95/52/523479552.db2.gz	VSYQXIYUMOWUTH-UFWORHAWSA-N	0	0	427.338	5.803	50	30		IKEARN
COc1ccc(Br)cc1C=NNc1c(Cl)cc(C(F)(F)F)cc1Cl	ZINC000012369075	523491706	/nfs/dbraw/zinc/49/17/06/523491706.db2.gz	UUUCBQCLJNTOOJ-QPJQQBGISA-N	0	0	442.062	6.229	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC)c(COc3ccc([N+](=O)[O-])c(C)c3)c2)cc1	ZINC000009013403	523542093	/nfs/dbraw/zinc/54/20/93/523542093.db2.gz	XTLZACFZSDEUKR-UUILKARUSA-N	0	0	433.460	5.396	50	30		IKEARN
COc1ccc(C(=O)/C=C/c2ccc(OC)c(OC)c2)c(OC(=O)c2ccccc2C)c1	ZINC000011867673	523542831	/nfs/dbraw/zinc/54/28/31/523542831.db2.gz	HVBYFMWZBMYFSC-UKTHLTGXSA-N	0	0	432.472	5.136	50	30	biogenic	IKEARN
CC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2C)C1=O	ZINC000051366836	523606554	/nfs/dbraw/zinc/60/65/54/523606554.db2.gz	OYEUKCYVXSYVKV-JCAVJTNVSA-N	0	0	430.371	5.002	50	30		IKEARN
CC[C@@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000051366853	523606720	/nfs/dbraw/zinc/60/67/20/523606720.db2.gz	HUHMPQIMRFPRLA-STXSBSPXSA-N	0	0	447.560	5.101	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccccc2Cl)Nc2ccc(C)cc2C)c1C	ZINC000032972149	523641105	/nfs/dbraw/zinc/64/11/05/523641105.db2.gz	XGOYKDPGBNEWFW-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C	ZINC000012463226	523662818	/nfs/dbraw/zinc/66/28/18/523662818.db2.gz	MVOLPQKOUHRUSD-RTWAWAEBSA-N	0	0	432.545	5.204	50	30		IKEARN
COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)cc1	ZINC000021722427	523677960	/nfs/dbraw/zinc/67/79/60/523677960.db2.gz	NCBGUCIAQKSRMA-VWLOTQADSA-N	0	0	442.515	5.745	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)cc1	ZINC000009280922	523773511	/nfs/dbraw/zinc/77/35/11/523773511.db2.gz	DIMKHRGTGAWQFP-MTJSOVHGSA-N	0	0	441.266	5.837	50	30		IKEARN
COc1ccc(C2=C(C(=O)c3ccccc3)[C@@H](C)Nc3nc4ccccc4n32)cc1OC	ZINC000020569231	523870113	/nfs/dbraw/zinc/87/01/13/523870113.db2.gz	GIKIRKWSHMQYFO-MRXNPFEDSA-N	0	0	425.488	5.010	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3ccc(C)c(C)c3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950851	523876824	/nfs/dbraw/zinc/87/68/24/523876824.db2.gz	NYCLNETWYSBVEO-UHFFFAOYSA-N	0	0	435.520	5.655	50	30		IKEARN
CCc1ccc(C(=O)C2=CN(c3cccc(CC)c3)c3ccc(F)cc3S2(=O)=O)cc1	ZINC000032950856	523877400	/nfs/dbraw/zinc/87/74/00/523877400.db2.gz	DWYJHUSQLPFUOO-UHFFFAOYSA-N	0	0	435.520	5.600	50	30		IKEARN
COc1ccc(C2=NN([C@@H](C#N)c3ccc(OC)c(OC)c3)[C@@H](c3ccccc3)C2)cc1	ZINC000008431176	523877758	/nfs/dbraw/zinc/87/77/58/523877758.db2.gz	KYNOUCMSUPMWLO-RPWUZVMVSA-N	0	0	427.504	5.128	50	30		IKEARN
COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1sccc1C	ZINC000012463224	523941997	/nfs/dbraw/zinc/94/19/97/523941997.db2.gz	MVOLPQKOUHRUSD-NHCUHLMSSA-N	0	0	432.545	5.204	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3C[C@@H](C#N)[C@@]2(O)C1	ZINC000247822076	524004389	/nfs/dbraw/zinc/00/43/89/524004389.db2.gz	IKAYYSYGCHKPAB-BWYLQKMCSA-N	0	0	443.716	6.987	50	30		IKEARN
CCc1ccc(OCCCOc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2OC)cc1	ZINC000013897819	524005718	/nfs/dbraw/zinc/00/57/18/524005718.db2.gz	VSDVDXYKQGAFGG-NLRVBDNBSA-N	0	0	449.507	5.460	50	30		IKEARN
CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000010013696	524033621	/nfs/dbraw/zinc/03/36/21/524033621.db2.gz	WYWPCRNZUDUEQG-XMMPIXPASA-N	0	0	432.539	5.631	50	30		IKEARN
CCc1ccc([C@@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1	ZINC000064775579	524034491	/nfs/dbraw/zinc/03/44/91/524034491.db2.gz	RODDNCFYMOJUOJ-RUZDIDTESA-N	0	0	440.547	5.337	50	30		IKEARN
CCc1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321103	524041189	/nfs/dbraw/zinc/04/11/89/524041189.db2.gz	WBGLFIYLTVLZBJ-MHECFPHRSA-N	0	0	430.504	5.218	50	30		IKEARN
COc1ccc(CN2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000012652143	524043676	/nfs/dbraw/zinc/04/36/76/524043676.db2.gz	OBVSHULDLPEWHN-HHHXNRCGSA-N	0	0	444.962	6.529	50	30		IKEARN
CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)cc1	ZINC000064775580	524052655	/nfs/dbraw/zinc/05/26/55/524052655.db2.gz	RODDNCFYMOJUOJ-VWLOTQADSA-N	0	0	440.547	5.337	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)sc2c1	ZINC000001450580	524060073	/nfs/dbraw/zinc/06/00/73/524060073.db2.gz	KKPOCSRADBIFPD-FQEVSTJZSA-N	0	0	430.485	5.235	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1	ZINC000032943087	524071073	/nfs/dbraw/zinc/07/10/73/524071073.db2.gz	SYQXRYBJZCPHNR-UHFFFAOYSA-N	0	0	428.511	5.310	50	30		IKEARN
Cc1ccc(C)c(CSC2=N[C@@H](c3ccccc3F)C3=C(N2)c2ccccc2C3=O)c1	ZINC000012954249	524105453	/nfs/dbraw/zinc/10/54/53/524105453.db2.gz	INAACLLPXVNCRV-DEOSSOPVSA-N	0	0	428.532	5.984	50	30		IKEARN
COc1cccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(SCc4ccccc4)nn32)c1	ZINC000065165018	524111358	/nfs/dbraw/zinc/11/13/58/524111358.db2.gz	NAYHZYOTJGYWNN-JOCHJYFZSA-N	0	0	446.576	5.237	50	30		IKEARN
COc1cccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(Cl)cc2)c1	ZINC000001439856	524173728	/nfs/dbraw/zinc/17/37/28/524173728.db2.gz	WZOYIUBDCZQEMK-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)c1O	ZINC000013568533	524186711	/nfs/dbraw/zinc/18/67/11/524186711.db2.gz	LXXCBZMSVOQMKD-SGANQWHYSA-N	0	0	446.934	6.034	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)c1O	ZINC000000815893	524187250	/nfs/dbraw/zinc/18/72/50/524187250.db2.gz	XYKAAHIVTFOQNE-WXTAPIANSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(Cl)cc2)[C@]1(C)Cc1ccccc1	ZINC000027495852	524244834	/nfs/dbraw/zinc/24/48/34/524244834.db2.gz	VDURZFJPJBGVOM-RUZDIDTESA-N	0	0	434.008	6.383	50	30		IKEARN
Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000002188185	524245828	/nfs/dbraw/zinc/24/58/28/524245828.db2.gz	ARBUPTTYLSOIQS-PSYZWBJOSA-N	0	0	429.501	6.020	50	30		IKEARN
COc1cccc2cc(C(=O)/C=C\c3csc(N(C(C)=O)c4c(C)cccc4C)n3)oc21	ZINC000096924556	524256421	/nfs/dbraw/zinc/25/64/21/524256421.db2.gz	OXAMOHDAIONDFH-QXMHVHEDSA-N	0	0	446.528	6.095	50	30		IKEARN
Cc1cc(C)c([C@@H]2[C@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1	ZINC000095480981	524331090	/nfs/dbraw/zinc/33/10/90/524331090.db2.gz	YYJOHIQCSCXTOM-ZRJLEYOISA-N	0	0	444.538	5.291	50	30		IKEARN
Cc1cc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4cccnc4C=C[C@@H]3C2(C#N)C#N)c(C)c1	ZINC000095480982	524331964	/nfs/dbraw/zinc/33/19/64/524331964.db2.gz	YYJOHIQCSCXTOM-IEUSDUHPSA-N	0	0	444.538	5.291	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O	ZINC000009185469	524361825	/nfs/dbraw/zinc/36/18/25/524361825.db2.gz	WYFYGZJNMVIGIE-MTJSOVHGSA-N	0	0	441.266	5.837	50	30		IKEARN
COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C/c1cn(C)c3ccccc13)C2=O	ZINC000009423150	524362573	/nfs/dbraw/zinc/36/25/73/524362573.db2.gz	JZYRRUGSSNMNQZ-ZMOGYAJESA-N	0	0	425.440	5.022	50	30		IKEARN
Cc1cccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)c(Cl)c3)c3ccccc32)c1	ZINC000003041415	524384117	/nfs/dbraw/zinc/38/41/17/524384117.db2.gz	NVOJOYCXLNIPMT-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
COc1ccc(N2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)S/C2=N\C(C)(C)C)cc1	ZINC000015634628	524395072	/nfs/dbraw/zinc/39/50/72/524395072.db2.gz	SAZVCVPUFLNCES-CQKAXJAZSA-N	0	0	437.487	5.528	50	30		IKEARN
Cc1cc(C)cc(NC(=O)c2c(N)n(/N=C/c3ccccc3C)c3nc4ccccc4nc32)c1	ZINC000002376104	524434051	/nfs/dbraw/zinc/43/40/51/524434051.db2.gz	FSMVTGPYXWPYGH-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
Cc1cccc(CSc2nc3n(n2)[C@@H](c2cccc(Cl)c2)C2C(=O)CCCC2=N3)c1	ZINC000009856538	524464013	/nfs/dbraw/zinc/46/40/13/524464013.db2.gz	UJHJNLNRYDKBJY-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(Cl)cc3)S2(=O)=O)cc1	ZINC000020575672	524485952	/nfs/dbraw/zinc/48/59/52/524485952.db2.gz	ODLCHQYFKXIPSI-UNOMPAQXSA-N	0	0	444.965	5.196	50	30		IKEARN
Cc1ccc(CN2c3ccsc3C(=O)C(=CNc3ccc(C)cc3C)S2(=O)=O)cc1	ZINC000020575695	524485962	/nfs/dbraw/zinc/48/59/62/524485962.db2.gz	ZJGOLHFOBFJDQZ-BKUYFWCQSA-N	0	0	438.574	5.160	50	30		IKEARN
COc1ccccc1COc1ccc2c(c1C)O/C(=C/c1cn(C)c3ccccc13)C2=O	ZINC000009421930	524496136	/nfs/dbraw/zinc/49/61/36/524496136.db2.gz	GILGVDMLVJYXSX-AFUMVMLFSA-N	0	0	425.484	5.691	50	30		IKEARN
Cc1cccc(NC(=NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)c1	ZINC000006244595	524528904	/nfs/dbraw/zinc/52/89/04/524528904.db2.gz	ZNJSEEHHVGJZTA-UHFFFAOYSA-N	0	0	429.339	5.005	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccccc2Cl)n1	ZINC000013319817	524580969	/nfs/dbraw/zinc/58/09/69/524580969.db2.gz	IDVCFAKZRPSEMC-QFIPXVFZSA-N	0	0	435.955	5.286	50	30		IKEARN
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(F)c1	ZINC000006015308	524585231	/nfs/dbraw/zinc/58/52/31/524585231.db2.gz	VYESIIKCKJBLMG-QHCPKHFHSA-N	0	0	434.511	5.077	50	30		IKEARN
Cc1cccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c1C	ZINC000021722315	524628066	/nfs/dbraw/zinc/62/80/66/524628066.db2.gz	FXWOBPGWIFFPJH-VWLOTQADSA-N	0	0	427.504	6.109	50	30		IKEARN
COc1ccc(NC(=O)c2ccccc2Sc2ccccc2C#N)cc1OC(F)F	ZINC000012822914	524647230	/nfs/dbraw/zinc/64/72/30/524647230.db2.gz	BCHMJODMNGGSOZ-UHFFFAOYSA-N	0	0	426.444	5.572	50	30		IKEARN
Cc1cccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccccc2Cl)c1	ZINC000064874108	524663675	/nfs/dbraw/zinc/66/36/75/524663675.db2.gz	VZUMHIHYNAEIOQ-JOCHJYFZSA-N	0	0	432.911	5.119	50	30		IKEARN
Cc1cccc(NC(=S)N(CCCNC2=CC(=O)CC(C)(C)C2)C2CCCCC2)c1	ZINC000004663377	524666313	/nfs/dbraw/zinc/66/63/13/524666313.db2.gz	INWYJKQRHXOQPU-UHFFFAOYSA-N	0	0	427.658	5.579	50	30		IKEARN
Cc1cccc(N=C2C=C(NS(=O)(=O)c3cc(C)c(C)cc3C)c3ccccc3C2=O)c1	ZINC000012620832	524669338	/nfs/dbraw/zinc/66/93/38/524669338.db2.gz	HSIDQRIZCQLRKF-WEMUOSSPSA-N	0	0	444.556	5.291	50	30		IKEARN
COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Cc1cccs1	ZINC000012652217	524745944	/nfs/dbraw/zinc/74/59/44/524745944.db2.gz	LPLOBBGHUSLRJJ-AREMUKBSSA-N	0	0	444.556	5.506	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc2c(c1)OCO2	ZINC000013568664	524748524	/nfs/dbraw/zinc/74/85/24/524748524.db2.gz	FRACDMYJQALVPS-SOKVYYICSA-N	0	0	440.499	5.403	50	30		IKEARN
Cc1cccc(OCCOc2ccc(Cl)cc2C=NNC(=S)Nc2ccccc2)c1	ZINC000244647087	524749522	/nfs/dbraw/zinc/74/95/22/524749522.db2.gz	GUWVYLYHOQMPDP-UHFFFAOYSA-N	0	0	439.968	5.427	50	30		IKEARN
COc1ccccc1[C@@H]1CC(=O)C2=C(C1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccccc1F	ZINC000001074531	524750355	/nfs/dbraw/zinc/75/03/55/524750355.db2.gz	XDKMKSMRMGPQFU-GKVSMKOHSA-N	0	0	449.522	5.148	50	30		IKEARN
COc1ccc(OC)c(C=CC(=O)c2c(=O)[nH]c3cc(C)ccc3c2-c2ccccc2)c1	ZINC000170620015	524799656	/nfs/dbraw/zinc/79/96/56/524799656.db2.gz	XKJKBIQSAWJJIL-JLHYYAGUSA-N	0	0	425.484	5.829	50	30		IKEARN
Cc1cccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)c(C)c4)cnn32)c1	ZINC000064775586	524887112	/nfs/dbraw/zinc/88/71/12/524887112.db2.gz	PJGBDQYDPQSIBK-DEOSSOPVSA-N	0	0	426.520	5.083	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c(C)c1	ZINC000032943085	524912894	/nfs/dbraw/zinc/91/28/94/524912894.db2.gz	PZMGVKWRGMXZJC-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
Cc1ccc(N2C(=O)S[C@@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1	ZINC000020805994	524926144	/nfs/dbraw/zinc/92/61/44/524926144.db2.gz	ASEJRRBSOKJNQR-OAQYLSRUSA-N	0	0	433.558	6.054	50	30		IKEARN
Cc1ccc(N2C(=O)S[C@H](S/C(=N\c3ccccc3)Nc3ccccc3)C2=O)cc1	ZINC000020805999	524926404	/nfs/dbraw/zinc/92/64/04/524926404.db2.gz	ASEJRRBSOKJNQR-NRFANRHFSA-N	0	0	433.558	6.054	50	30		IKEARN
COc1ccc(Oc2cccc3c2C(=O)/C(=C\c2ccc(F)cc2)[C@H]3c2ccccc2)cc1	ZINC000012952261	524994838	/nfs/dbraw/zinc/99/48/38/524994838.db2.gz	DBZUMVUNZTXCPW-WHNPURCTSA-N	0	0	436.482	7.038	50	30		IKEARN
Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1ccc(F)c(Cl)c1	ZINC000032943459	525041226	/nfs/dbraw/zinc/04/12/26/525041226.db2.gz	HRBYBVVWBRVADM-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C2/c3ccccc3NC2=O)C(=O)N1c1ccccc1C	ZINC000001750592	525041588	/nfs/dbraw/zinc/04/15/88/525041588.db2.gz	FOZMYJZSCDZMOL-IJODWYDQSA-N	0	0	425.513	5.434	50	30		IKEARN
Cc1cc(=NN=C2C(=O)Nc3c2cc(F)cc3Br)[nH]c2ccc(Cl)cc12	ZINC000058953916	525043017	/nfs/dbraw/zinc/04/30/17/525043017.db2.gz	CFARGESWHRXEKU-UHFFFAOYSA-N	0	0	433.668	5.516	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C#N)cc1C	ZINC000033050718	525080069	/nfs/dbraw/zinc/08/00/69/525080069.db2.gz	NEMXNQAOHGKEHZ-UHFFFAOYSA-N	0	0	426.545	5.304	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)c(C)c1	ZINC000021355922	525149095	/nfs/dbraw/zinc/14/90/95/525149095.db2.gz	WFQQXUQZBXQPTN-VWLOTQADSA-N	0	0	427.504	6.109	50	30		IKEARN
Cc1ccc(NC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1C	ZINC000021722289	525151176	/nfs/dbraw/zinc/15/11/76/525151176.db2.gz	FCKGNHMEIJGGMQ-RUZDIDTESA-N	0	0	427.504	6.109	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2	ZINC000009856530	525187956	/nfs/dbraw/zinc/18/79/56/525187956.db2.gz	PPEDSTPBPBKUJN-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000019228587	525218882	/nfs/dbraw/zinc/21/88/82/525218882.db2.gz	IOGAFSFTYGVAMK-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
Cc1ccccc1NC(=NS(=O)(=O)c1ccc(Br)cc1)c1ccccc1	ZINC000006296161	525220136	/nfs/dbraw/zinc/22/01/36/525220136.db2.gz	DQPPMEPLKXRNEE-UHFFFAOYSA-N	0	0	429.339	5.005	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4ccccc4N(C(C)=O)[C@@H]3c3ccccc3)C2)cc1	ZINC000018324460	525230920	/nfs/dbraw/zinc/23/09/20/525230920.db2.gz	CHAKSZGALGQIOW-RBTNQOKQSA-N	0	0	438.527	5.616	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc([N+](=O)[O-])o2)cc1	ZINC000009089759	525231383	/nfs/dbraw/zinc/23/13/83/525231383.db2.gz	VRGBYQUSAQYZMH-IZHWHUGBSA-N	0	0	431.448	5.176	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC	ZINC000000709953	525232520	/nfs/dbraw/zinc/23/25/20/525232520.db2.gz	CCSSORKAWNHSNJ-MYUZEXMDSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@H]3c2ccccc2F)cc1OC	ZINC000033324899	525234748	/nfs/dbraw/zinc/23/47/48/525234748.db2.gz	BRUBXGKOVGUKFP-NPMXOYFQSA-N	0	0	434.467	5.098	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2cccc(Cl)c2)cc1C	ZINC000064874264	525254841	/nfs/dbraw/zinc/25/48/41/525254841.db2.gz	GJBWFJYMGUYKTH-HSZRJFAPSA-N	0	0	446.938	5.428	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@@H]3c2ccccc2)cc1C	ZINC000064874269	525254958	/nfs/dbraw/zinc/25/49/58/525254958.db2.gz	MRFWWEHVTHVRCV-DEOSSOPVSA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccccc1NC(=O)c1ccsc1/N=C/c1cn(Cc2ccccc2)c2ccccc12	ZINC000020418866	525264242	/nfs/dbraw/zinc/26/42/42/525264242.db2.gz	BYECETBAQSGJOK-STBIYBPSSA-N	0	0	449.579	7.062	50	30		IKEARN
CSC1=N/C(=N\c2ccc(C)cc2)C2(CCC(C(C)(C)C)CC2)N1c1ccc(O)cc1	ZINC000020805785	525342678	/nfs/dbraw/zinc/34/26/78/525342678.db2.gz	NFFYEENYLFGDQW-VYIQYICTSA-N	0	0	435.637	6.945	50	30		IKEARN
CSC1=N/C(=N\c2c(C)cccc2C)C2(CCCCC2)N1c1cccc(C(F)(F)F)c1	ZINC000002348173	525343454	/nfs/dbraw/zinc/34/34/54/525343454.db2.gz	DNYKXEIGTZGLEE-HFTWOUSFSA-N	0	0	445.554	7.294	50	30		IKEARN
COc1ccc([C@H](CC(=O)c2ccc3ccccc3c2)[C@@H](C#N)c2ccc(Cl)cc2)cc1	ZINC000004546627	525346909	/nfs/dbraw/zinc/34/69/09/525346909.db2.gz	BDJDWCPJUGITMR-SVBPBHIXSA-N	0	0	439.942	7.166	50	30		IKEARN
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C2CC2)cc1OC	ZINC000009164652	525393909	/nfs/dbraw/zinc/39/39/09/525393909.db2.gz	RSRDBWHPENNCIP-VWLOTQADSA-N	0	0	446.547	5.257	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(F)cc2)cc1OC	ZINC000000812848	525398216	/nfs/dbraw/zinc/39/82/16/525398216.db2.gz	WDIGNQZYAIJBOV-CLYVBNDRSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2F)cc1OC	ZINC000000812850	525398692	/nfs/dbraw/zinc/39/86/92/525398692.db2.gz	KEJCZAYCFMYQRW-XGCWNURASA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(F)c2)cc1OC	ZINC000000709954	525399026	/nfs/dbraw/zinc/39/90/26/525399026.db2.gz	CCSSORKAWNHSNJ-CLYVBNDRSA-N	0	0	444.506	5.822	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	ZINC000001408930	525430194	/nfs/dbraw/zinc/43/01/94/525430194.db2.gz	UXXFGVKPOTVQKM-XHCCPWGMSA-N	0	0	426.516	5.683	50	30		IKEARN
COc1ccc([C@H]2Nc3ncc(Br)cc3N=C3CC(C)(C)CC(=O)C32)cc1	ZINC000018244361	525431011	/nfs/dbraw/zinc/43/10/11/525431011.db2.gz	RVGOTZRJQBHRCH-LJQANCHMSA-N	0	0	428.330	5.075	50	30		IKEARN
COc1ccc([C@H]2c3c([nH]nc3-c3ccc(Cl)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000009152919	525439970	/nfs/dbraw/zinc/43/99/70/525439970.db2.gz	LWOYRPHWLYYKAS-HXUWFJFHSA-N	0	0	433.939	5.939	50	30		IKEARN
Cc1cc2c(N)c(C(=O)Nc3ccc(C(=O)/C=C/c4cccs4)cc3)sc2nc1C	ZINC000013574776	525587666	/nfs/dbraw/zinc/58/76/66/525587666.db2.gz	NEUCLWACJNRNQV-MDZDMXLPSA-N	0	0	433.558	5.705	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2C1=O	ZINC000002134711	525611293	/nfs/dbraw/zinc/61/12/93/525611293.db2.gz	JONRCRQRQIPHPJ-PSHHWHLWSA-N	0	0	444.870	5.883	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]23)cc1	ZINC000257350146	525623654	/nfs/dbraw/zinc/62/36/54/525623654.db2.gz	VBLKGSKRRMCRKY-NMLNOWKBSA-N	0	0	444.637	5.681	50	30		IKEARN
Cc1c(C)n(C2CCCCC2)c(NC(=O)CN2CCC[C@H]2[C@H](C#N)c2ccccc2)c1C#N	ZINC000106920937	525680917	/nfs/dbraw/zinc/68/09/17/525680917.db2.gz	GAQZUPXOIGNYKK-RPBOFIJWSA-N	0	0	443.595	5.192	50	30		IKEARN
Cc1ccc(-c2cc3c(nn2)-c2ccccc2/C3=N/OCc2ccc(Cl)cc2Cl)cc1	ZINC000012338495	525739861	/nfs/dbraw/zinc/73/98/61/525739861.db2.gz	LYNJBAONZIQJKE-JVCXMKTPSA-N	0	0	446.337	6.708	50	30		IKEARN
Cc1ccc(-c2csc(C(C#N)=NNc3cc(C(F)(F)F)ccc3Cl)n2)c(C)c1	ZINC000009404405	525779702	/nfs/dbraw/zinc/77/97/02/525779702.db2.gz	DZPKXATYOCIURL-OGLMXYFKSA-N	0	0	434.874	6.439	50	30		IKEARN
Cc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(SCc4cccc(Cl)c4)nn32)cc1	ZINC000009856495	525793759	/nfs/dbraw/zinc/79/37/59/525793759.db2.gz	JOFRKQLKNDNFEO-OAQYLSRUSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1[N+](=O)[O-]	ZINC000000861115	525860712	/nfs/dbraw/zinc/86/07/12/525860712.db2.gz	MBGAFOVYUZEWKC-SIBVEZHUSA-N	0	0	425.488	5.883	50	30		IKEARN
Cc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)C(=O)C=C(C)[C@@H]2C(=O)Nc2ccccc2)cc1	ZINC000036556585	525862524	/nfs/dbraw/zinc/86/25/24/525862524.db2.gz	OJPIWRXLXMPYGY-GSDHBNRESA-N	0	0	438.527	5.117	50	30		IKEARN
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)c(C)c3)c2-c2ccccc2)cc1	ZINC000097020875	525892770	/nfs/dbraw/zinc/89/27/70/525892770.db2.gz	OODUHXMMNGXGIV-STKMKYKTSA-N	0	0	440.590	8.487	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O	ZINC000253498557	525914217	/nfs/dbraw/zinc/91/42/17/525914217.db2.gz	LJQHVTRFOZQNII-ZODQXYEFSA-N	0	0	444.537	6.592	50	30		IKEARN
C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O	ZINC000253499678	525914669	/nfs/dbraw/zinc/91/46/69/525914669.db2.gz	OMJIZRMQBBHMOY-LDHKKCCPSA-N	0	0	441.453	7.444	50	30	biogenic	IKEARN
Cc1c2c(ccc1Cl)/C(=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)C(=O)N2	ZINC000100065325	525932879	/nfs/dbraw/zinc/93/28/79/525932879.db2.gz	BVROTRJGTLVYTB-VDKMMFHJSA-N	0	0	445.931	5.779	50	30		IKEARN
Cc1ccc(-n2s/c(=N\C(=N/c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1	ZINC000100688835	525939369	/nfs/dbraw/zinc/93/93/69/525939369.db2.gz	MMPMPNYEMKILJC-JRJTYQBFSA-N	0	0	446.579	6.588	50	30		IKEARN
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000020606255	525940518	/nfs/dbraw/zinc/94/05/18/525940518.db2.gz	YBSVIYLDKAMQIP-UONOGXRCSA-N	0	0	427.526	5.085	50	30		IKEARN
Cc1ccc(/C=C2\Oc3cc(OC(=O)c4ccccc4Br)ccc3C2=O)o1	ZINC000002437195	525959475	/nfs/dbraw/zinc/95/94/75/525959475.db2.gz	YFRWDWMWGHSDOD-ODLFYWEKSA-N	0	0	425.234	5.186	50	30		IKEARN
Cc1ccc(/C=C2\Oc3cc(OC(=O)N(c4ccccc4)c4ccccc4)ccc3C2=O)o1	ZINC000009215925	525960434	/nfs/dbraw/zinc/96/04/34/525960434.db2.gz	ICUSUNFKOGBTJQ-UQQQWYQISA-N	0	0	437.451	6.541	50	30		IKEARN
Cc1c2ccc3ccccc3c2oc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1	ZINC000049574101	525967308	/nfs/dbraw/zinc/96/73/08/525967308.db2.gz	HUZVKOFPDNLRPL-QHCPKHFHSA-N	0	0	427.479	5.056	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3cccc(OCc4ccccc4)c3)S2)cc1Cl	ZINC000016267807	525971339	/nfs/dbraw/zinc/97/13/39/525971339.db2.gz	UGOFPXFTYRGYPE-XKZIYDEJSA-N	0	0	434.948	6.119	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000008904900	525984066	/nfs/dbraw/zinc/98/40/66/525984066.db2.gz	POIBZPPLXLSUFL-QFIPXVFZSA-N	0	0	440.524	5.696	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(C3CCCC3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000020606203	526022029	/nfs/dbraw/zinc/02/20/29/526022029.db2.gz	QMGBBSXTZDGPAP-FQEVSTJZSA-N	0	0	430.331	5.823	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1F	ZINC000009472411	526027435	/nfs/dbraw/zinc/02/74/35/526027435.db2.gz	CGNMNWIRDOOKSD-QHCPKHFHSA-N	0	0	447.506	5.803	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(C)c(F)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984363	526030868	/nfs/dbraw/zinc/03/08/68/526030868.db2.gz	MVDOBEXCDVUVAC-UHFFFAOYSA-N	0	0	425.456	5.231	50	30		IKEARN
CSc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000001130357	526064489	/nfs/dbraw/zinc/06/44/89/526064489.db2.gz	KUGQVAHDEZEQDF-OLILMLBXSA-N	0	0	448.591	7.024	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(C)cc2)C3)cc1	ZINC000001077207	526077242	/nfs/dbraw/zinc/07/72/42/526077242.db2.gz	RBQJCXIQDJZMJG-NFQMXDRXSA-N	0	0	426.585	6.696	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1	ZINC000033656132	526088472	/nfs/dbraw/zinc/08/84/72/526088472.db2.gz	YZACCTILOSAOID-LPYMAVHISA-N	0	0	446.532	5.511	50	30		IKEARN
Cc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000102420069	526098393	/nfs/dbraw/zinc/09/83/93/526098393.db2.gz	MOWDTNPKRVQAOK-AFUMVMLFSA-N	0	0	433.305	6.507	50	30		IKEARN
Cc1ccc2c(c1)C(N=Nc1nc(-c3ccc(Cl)cc3)cs1)C[C@@H](c1ccccc1)O2	ZINC000031939359	526137368	/nfs/dbraw/zinc/13/73/68/526137368.db2.gz	BQQIHSWUTSRNBS-JUEFXSDASA-N	0	0	445.975	7.112	50	30		IKEARN
Cc1ccc2c(ccc3c2[C@H](c2ccc(Cl)cc2Cl)C2=C(CC(C)(C)CC2=O)N3)n1	ZINC000008856935	526222816	/nfs/dbraw/zinc/22/28/16/526222816.db2.gz	HEDJFJCLBXRURC-QHCPKHFHSA-N	0	0	437.370	7.051	50	30		IKEARN
Cc1ccc(C(=O)Nc2ccccc2Nc2cc(-c3ccccc3)nn2CCC#N)cc1C	ZINC000012651185	526226405	/nfs/dbraw/zinc/22/64/05/526226405.db2.gz	ITEKVDMCTALISN-UHFFFAOYSA-N	0	0	435.531	6.077	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000036611436	526226995	/nfs/dbraw/zinc/22/69/95/526226995.db2.gz	TYYOVFDOHCBDFF-LSHDLFTRSA-N	0	0	449.319	5.621	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2cc(C)c(Cl)c(C)c2)o1	ZINC000036611452	526227136	/nfs/dbraw/zinc/22/71/36/526227136.db2.gz	UWQGHWNIPWWCEW-FOKLQQMPSA-N	0	0	442.928	5.584	50	30		IKEARN
CSc1nnc(-c2ccco2)n1/N=C/c1ccc(COc2ccc(Cl)c(C)c2)o1	ZINC000036611381	526227258	/nfs/dbraw/zinc/22/72/58/526227258.db2.gz	UKLKXFMYMPTYFS-SSDVNMTOSA-N	0	0	428.901	5.276	50	30		IKEARN
CSc1sc(C)cc1[C@H]1C(C(=O)Nc2cc(C)ccn2)=C(C)NC2=C1C(=O)CCC2	ZINC000009985198	526233933	/nfs/dbraw/zinc/23/39/33/526233933.db2.gz	QBJZSIUZSHMAFI-FQEVSTJZSA-N	0	0	439.606	5.088	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccc(F)cc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000252591170	526239627	/nfs/dbraw/zinc/23/96/27/526239627.db2.gz	AYHFYRCMZUUNLD-KLJDGLGGSA-N	0	0	433.486	5.544	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000008427354	526240222	/nfs/dbraw/zinc/24/02/22/526240222.db2.gz	ORDAQYJPJNSNSJ-CYXNTTPDSA-N	0	0	433.486	5.418	50	30		IKEARN
Cc1ccc2nc(-c3ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc3)sc2c1	ZINC000002292015	526241089	/nfs/dbraw/zinc/24/10/89/526241089.db2.gz	JGGZTQIFLJFANP-UHFFFAOYSA-N	0	0	436.352	6.043	50	30		IKEARN
Cc1ccc2nc(C)c(C(=O)/C=C\c3ccc(Br)cc3)c(-c3ccccc3)c2c1	ZINC000022109027	526245101	/nfs/dbraw/zinc/24/51/01/526245101.db2.gz	DDDWLUNZOSDSIJ-PTNGSMBKSA-N	0	0	442.356	7.177	50	30		IKEARN
Fc1c(F)c(F)c(C=NNc2nc(-c3ccccc3Cl)nc3ccccc32)c(F)c1F	ZINC000009463864	526292097	/nfs/dbraw/zinc/29/20/97/526292097.db2.gz	STTKSFUFAZDRBD-HIUVJMHLSA-N	0	0	448.782	6.092	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(-c2cccc(Cl)c2)o1	ZINC000012428746	526292412	/nfs/dbraw/zinc/29/24/12/526292412.db2.gz	LLOJMQJODMHCLP-OAHLVZFQSA-N	0	0	436.714	6.621	50	30		IKEARN
Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C/C(=O)OCc1cn2ccccc2c1C#N	ZINC000014728718	526295827	/nfs/dbraw/zinc/29/58/27/526295827.db2.gz	BBKKVOMIOPIKSB-ZHACJKMWSA-N	0	0	444.922	5.083	50	30		IKEARN
Cc1nn2c3ccccc3n(C)c2c1C(=O)/C=C/c1cc2ccccc2nc1N1CCCCC1	ZINC000012684787	526314659	/nfs/dbraw/zinc/31/46/59/526314659.db2.gz	LYBFHVUFWQIZMB-CCEZHUSRSA-N	0	0	449.558	5.569	50	30		IKEARN
Fc1ccc(Oc2ccccc2/C=N/c2ccc(I)cc2)cc1F	ZINC000100410975	526359671	/nfs/dbraw/zinc/35/96/71/526359671.db2.gz	OQPUNGDWAFCXSJ-FSJBWODESA-N	0	0	435.211	6.112	50	30		IKEARN
Oc1ccccc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(/N=C/c2ccccc2O)c1	ZINC000001431164	526369641	/nfs/dbraw/zinc/36/96/41/526369641.db2.gz	DDSPTHDSXRVZRM-UUYAOZHUSA-N	0	0	446.400	5.878	50	30		IKEARN
O=C([O-])c1ccc(NC(NCc2ccc(F)cc2)=[NH+]CC23CC4CC(CC(C4)C2)C3)cc1	ZINC000065304893	526372324	/nfs/dbraw/zinc/37/23/24/526372324.db2.gz	NAYRNYTZXBACPU-UHFFFAOYSA-N	0	0	435.543	5.298	50	30		IKEARN
S=C(N/N=C/c1ccccc1OCc1ccc(Br)cc1)NC1CCCCC1	ZINC000004209896	526382910	/nfs/dbraw/zinc/38/29/10/526382910.db2.gz	BKTSXTPYMKJTRW-OEAKJJBVSA-N	0	0	446.414	5.159	50	30		IKEARN
O=C(O/N=C/c1c(F)cccc1Cl)c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	ZINC000012369617	526412472	/nfs/dbraw/zinc/41/24/72/526412472.db2.gz	GZBZSICRMJAYEZ-BHGWPJFGSA-N	0	0	449.221	6.024	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1F	ZINC000012377406	526431339	/nfs/dbraw/zinc/43/13/39/526431339.db2.gz	GJHMSCUNAQONKE-SDHSZQHLSA-N	0	0	437.449	5.249	50	30		IKEARN
O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccc(Cl)cc1	ZINC000059193632	526438694	/nfs/dbraw/zinc/43/86/94/526438694.db2.gz	DMNXPXMPEVSMPT-AFUMVMLFSA-N	0	0	433.920	6.129	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1)C2=O)c1ccccc1Cl	ZINC000002138089	526440928	/nfs/dbraw/zinc/44/09/28/526440928.db2.gz	CCNZNRUGWYXXLW-FMCGGJTJSA-N	0	0	430.843	5.494	50	30	biogenic	IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O)c1ccccc1F	ZINC000009158004	526442519	/nfs/dbraw/zinc/44/25/19/526442519.db2.gz	QGDIUBPZKNDAOA-JAIQZWGSSA-N	0	0	429.230	5.968	50	30		IKEARN
O=C(Oc1ccc2oc3c(c2c1/C=N/c1ccccc1)CCCC3)c1cccc(Cl)c1	ZINC000001826540	526443981	/nfs/dbraw/zinc/44/39/81/526443981.db2.gz	YASOFPVHIKEZKM-LQKURTRISA-N	0	0	429.903	6.935	50	30		IKEARN
O=C(Oc1cccc(/C=N/NC(=S)Nc2ccc(F)cc2)c1)c1ccc(Cl)cc1	ZINC000002543950	526444944	/nfs/dbraw/zinc/44/49/44/526444944.db2.gz	YVYBPIUTLHNFLL-ZMOGYAJESA-N	0	0	427.888	5.019	50	30		IKEARN
N#CCCN1N=C(c2ccccc2)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C1=O	ZINC000096840105	526461274	/nfs/dbraw/zinc/46/12/74/526461274.db2.gz	UJFLGJUBFUBWQV-PLRJNAJWSA-N	0	0	443.510	5.083	50	30		IKEARN
N#CCCn1cc(/C=C/C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2ccccc21	ZINC000015696737	526466937	/nfs/dbraw/zinc/46/69/37/526466937.db2.gz	VLEYJOXJXIIDKX-SJFMBGHLSA-N	0	0	440.572	5.584	50	30		IKEARN
N#CCCn1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc21	ZINC000009672548	526468111	/nfs/dbraw/zinc/46/81/11/526468111.db2.gz	MATDPNLJRZGZBN-UHFFFAOYSA-N	0	0	433.562	5.185	50	30		IKEARN
N#CCOc1cccc(C=C(Cl)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)c1	ZINC000096189954	526474733	/nfs/dbraw/zinc/47/47/33/526474733.db2.gz	WAAXOQKMXLZIDV-GDNBJRDFSA-N	0	0	425.922	5.352	50	30		IKEARN
N#CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000044087870	526479171	/nfs/dbraw/zinc/47/91/71/526479171.db2.gz	WQOBGTBLAUDJTC-UHFFFAOYSA-N	0	0	438.272	5.936	50	30		IKEARN
N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1	ZINC000044087840	526480173	/nfs/dbraw/zinc/48/01/73/526480173.db2.gz	BMCBOLGEZPLVAB-UHFFFAOYSA-N	0	0	428.266	6.481	50	30		IKEARN
N#CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1	ZINC000044088239	526480462	/nfs/dbraw/zinc/48/04/62/526480462.db2.gz	JYPRTAWBYQSXFG-UHFFFAOYSA-N	0	0	426.275	6.063	50	30		IKEARN
N#Cc1c(SCc2ccc(Cl)cc2Cl)noc1-c1ccc(Cl)c(Cl)c1	ZINC000012624548	526530735	/nfs/dbraw/zinc/53/07/35/526530735.db2.gz	RECAURBRJZZSAP-UHFFFAOYSA-N	0	0	430.143	7.119	50	30		IKEARN
N#Cc1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c(c1-c1cccs1)CCCC2	ZINC000012369945	526531501	/nfs/dbraw/zinc/53/15/01/526531501.db2.gz	HEPGJYZZOPGYKF-UHFFFAOYSA-N	0	0	435.530	5.444	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(-c2cccc(Cl)c2)cc1/C=C/c1ccccc1Cl	ZINC000012549803	526534023	/nfs/dbraw/zinc/53/40/23/526534023.db2.gz	BSPGTYAIIZHGJS-OUKQBFOZSA-N	0	0	440.333	7.503	50	30		IKEARN
Cc1nc(-c2cccnc2)sc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2	ZINC000020607088	526612786	/nfs/dbraw/zinc/61/27/86/526612786.db2.gz	GVLSWSACVYVIHL-HNNXBMFYSA-N	0	0	436.606	5.850	50	30		IKEARN
N#Cc1ccc(CN2CCN(C(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)CC2)cc1	ZINC000012808834	526613815	/nfs/dbraw/zinc/61/38/15/526613815.db2.gz	CXMSVBYEEFLLKW-UHFFFAOYSA-N	0	0	440.330	5.083	50	30		IKEARN
O=C(c1cc(F)cc(C(F)(F)F)c1)N1CCC(CCc2ccc(C(F)(F)F)cc2)CC1	ZINC000022646483	526617970	/nfs/dbraw/zinc/61/79/70/526617970.db2.gz	MVDDQKOQRIVNQZ-UHFFFAOYSA-N	0	0	447.394	6.348	50	30		IKEARN
N#Cc1ccc(CSc2nnc(C3CCCCC3)n2-c2ccc(Cl)c(Cl)c2)cc1	ZINC000035847422	526631805	/nfs/dbraw/zinc/63/18/05/526631805.db2.gz	MRUKUEJMPMLAHN-UHFFFAOYSA-N	0	0	443.403	6.786	50	30		IKEARN
O=C(NCc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)o1)C(=O)Nc1ccccc1	ZINC000002964933	526651458	/nfs/dbraw/zinc/65/14/58/526651458.db2.gz	VMBNIYOMOHKRJF-WPWMEQJKSA-N	0	0	439.471	5.077	50	30		IKEARN
N#Cc1ccc(OCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c(Cl)c1	ZINC000012794743	526671710	/nfs/dbraw/zinc/67/17/10/526671710.db2.gz	XYJNGJYSIGEWFF-IBGZPJMESA-N	0	0	445.862	5.308	50	30		IKEARN
N#Cc1ccc(Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)nc1	ZINC000012748654	526686436	/nfs/dbraw/zinc/68/64/36/526686436.db2.gz	XWGVQRKTIPNONQ-UHFFFAOYSA-N	0	0	438.343	5.718	50	30		IKEARN
N#Cc1ccccc1/C=N/c1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1	ZINC000008997318	526735589	/nfs/dbraw/zinc/73/55/89/526735589.db2.gz	RLYDDSFDQWCGPU-BIZUNTBRSA-N	0	0	443.937	7.844	50	30		IKEARN
O=C(NCc1ccccc1)c1c(/N=C/c2c(O)ccc3ccccc32)sc2c1CCCC2	ZINC000064859671	526736892	/nfs/dbraw/zinc/73/68/92/526736892.db2.gz	CRTIXRJWHKMWCH-STBIYBPSSA-N	0	0	440.568	6.166	50	30	in-vitro	IKEARN
N#Cc1ccccc1CSCCNC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1	ZINC000012757235	526739074	/nfs/dbraw/zinc/73/90/74/526739074.db2.gz	RGKVPMLJMVKWKK-PMACEKPBSA-N	0	0	435.618	5.491	50	30		IKEARN
O=C(NCc1ccco1)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(Cl)cc1	ZINC000012652161	526776236	/nfs/dbraw/zinc/77/62/36/526776236.db2.gz	FZEASFVXNGYIKW-XMMPIXPASA-N	0	0	447.922	5.823	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1NCc1ccc2c(c1)OCO2	ZINC000020891039	526784366	/nfs/dbraw/zinc/78/43/66/526784366.db2.gz	GRZLFDMBLFZHOV-UHFFFAOYSA-N	0	0	449.850	5.379	50	30		IKEARN
O=C(c1cccc2ccccc21)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000012652242	526785703	/nfs/dbraw/zinc/78/57/03/526785703.db2.gz	CYTHPCXEIGZFQS-MHZLTWQESA-N	0	0	434.495	6.254	50	30		IKEARN
N=C(NOC(=O)c1ccc(Cl)cc1)c1ccc(Oc2c(Cl)cncc2Cl)cc1	ZINC000012369969	526805062	/nfs/dbraw/zinc/80/50/62/526805062.db2.gz	RQZMQRSHEZSSES-UHFFFAOYSA-N	0	0	436.682	5.311	50	30		IKEARN
N=C(NOC(=O)N1c2ccccc2Sc2ccccc21)c1cccc(Br)c1	ZINC000016426414	526808264	/nfs/dbraw/zinc/80/82/64/526808264.db2.gz	JRRSEONXCRUROK-UHFFFAOYSA-N	0	0	440.322	5.509	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1cccs1)Nc1ccccc1F	ZINC000021722745	526827397	/nfs/dbraw/zinc/82/73/97/526827397.db2.gz	XYKHUYOPELAIKK-RUZDIDTESA-N	0	0	447.535	5.506	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)Nc1cccc(Cl)c1	ZINC000020503311	526827547	/nfs/dbraw/zinc/82/75/47/526827547.db2.gz	GVCOSNNIEQJSJB-RUZDIDTESA-N	0	0	447.922	5.552	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1)Nc1ccc(F)cc1	ZINC000020503279	526827754	/nfs/dbraw/zinc/82/77/54/526827754.db2.gz	WELQRRHHIWMLIL-VWLOTQADSA-N	0	0	431.467	5.038	50	30		IKEARN
NC(=O)C1CCN(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)CC1	ZINC000082108626	526829536	/nfs/dbraw/zinc/82/95/36/526829536.db2.gz	RFSKSHHWICTXNF-UHFFFAOYSA-N	0	0	448.445	5.177	50	30		IKEARN
Clc1cc(Cl)c(N=NC=CNNc2c(Cl)cc(Cl)cc2Cl)c(Cl)c1	ZINC000002173442	526927874	/nfs/dbraw/zinc/92/78/74/526927874.db2.gz	MKJCDVSPURRUAP-NAFFZOIDSA-N	0	0	444.964	7.103	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000017282215	526940316	/nfs/dbraw/zinc/94/03/16/526940316.db2.gz	ZPDZJAANZQTWKI-WELATPIXSA-N	0	0	435.346	6.258	50	30		IKEARN
O=C1/C(=C/c2ccc(F)c(F)c2)CN(Cc2ccccc2)C/C1=C/c1ccc(F)c(F)c1	ZINC000035229435	526940337	/nfs/dbraw/zinc/94/03/37/526940337.db2.gz	PDYHCWPXGVXJJG-NGHQTVFFSA-N	0	0	437.436	5.795	50	30		IKEARN
O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1	ZINC000013286234	526942838	/nfs/dbraw/zinc/94/28/38/526942838.db2.gz	QPCAXJZBLTYCSM-PFMNSIPKSA-N	0	0	425.513	5.875	50	30		IKEARN
O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccccc1OC(F)F	ZINC000102153208	526943966	/nfs/dbraw/zinc/94/39/66/526943966.db2.gz	KVECTVBCPWCDFM-UHFFFAOYSA-N	0	0	429.263	5.343	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000012376486	526946335	/nfs/dbraw/zinc/94/63/35/526946335.db2.gz	NFCGDKANQDHJRW-DBSKITMISA-N	0	0	449.373	6.253	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)c(Cl)c2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000012376485	526946660	/nfs/dbraw/zinc/94/66/60/526946660.db2.gz	ZRWUUPHGWIYMQT-RVOSABIYSA-N	0	0	439.367	6.798	50	30		IKEARN
O=C1CCCC2=C1C(c1ccccc1OCc1ccc(Cl)cc1)C1=C(CCCC1=O)N2	ZINC000001158348	526966776	/nfs/dbraw/zinc/96/67/76/526966776.db2.gz	BMXSMKKJGLFNFJ-UHFFFAOYSA-N	0	0	433.935	5.620	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12	ZINC000002191668	526966814	/nfs/dbraw/zinc/96/68/14/526966814.db2.gz	GNCZFYYXNDJFPJ-SSEXGKCCSA-N	0	0	449.525	7.231	50	30		IKEARN
Clc1cccc(CN=Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)c1	ZINC000008872927	526973779	/nfs/dbraw/zinc/97/37/79/526973779.db2.gz	XOTSPQNKROTQGN-WGOQTCKBSA-N	0	0	429.915	5.327	50	30		IKEARN
Clc1cccc(CO/N=C2/CCCc3c2cc(-c2ccccc2)n3-c2ccccc2)c1	ZINC000012960563	526976787	/nfs/dbraw/zinc/97/67/87/526976787.db2.gz	VPHKHSLXZZPMAW-GNVQSUKOSA-N	0	0	426.947	7.055	50	30		IKEARN
Cc1nc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(C#N)c(C)c1Cl	ZINC000012372246	527015510	/nfs/dbraw/zinc/01/55/10/527015510.db2.gz	HLCQNQZHBHNWLF-UHFFFAOYSA-N	0	0	435.980	5.545	50	30		IKEARN
O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560067	527022508	/nfs/dbraw/zinc/02/25/08/527022508.db2.gz	LWURXLAWGAYRRJ-AVRDEDQJSA-N	0	0	443.930	6.137	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C\c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21	ZINC000096055673	527022557	/nfs/dbraw/zinc/02/25/57/527022557.db2.gz	HCDLWPXFBBMRHO-XFFZJAGNSA-N	0	0	443.886	5.484	50	30		IKEARN
Cc1nc(S[C@H](C)C(=O)C=C2N(C)c3ccccc3C2(C)C)n(C[C@@H]2CCCO2)c1C	ZINC000096931256	527022637	/nfs/dbraw/zinc/02/26/37/527022637.db2.gz	HFMWTEOTWVTYJJ-ILKVTVQGSA-N	0	0	439.625	5.040	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C/c2ccc3c(c2)OCO3)c(-c2ccccc2)c2ccc(Cl)cc21	ZINC000079047283	527023554	/nfs/dbraw/zinc/02/35/54/527023554.db2.gz	HCDLWPXFBBMRHO-YRNVUSSQSA-N	0	0	443.886	5.484	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(Cl)c(Cl)c1)Nc1ccccc1N2	ZINC000001077006	527023858	/nfs/dbraw/zinc/02/38/58/527023858.db2.gz	QEBMURGLDOWRRC-PSLXWICFSA-N	0	0	441.383	7.034	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2	ZINC000000970922	527024020	/nfs/dbraw/zinc/02/40/20/527024020.db2.gz	CSZDKWFUAMZIAD-SSOJOUAXSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ncccc3c12	ZINC000000720844	527024235	/nfs/dbraw/zinc/02/42/35/527024235.db2.gz	HDMIDZMGSQUFQA-SLQAJWMNSA-N	0	0	446.506	6.031	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc(Br)cc1)Nc1ccccc1N2	ZINC000001082743	527024572	/nfs/dbraw/zinc/02/45/72/527024572.db2.gz	UXDRVWWJZZMUSG-BVZFJXPGSA-N	0	0	445.360	6.429	50	30		IKEARN
O=C1C[C@H](c2ccc(Cl)cc2)CC2=C1[C@@H](c1c[nH]c3ccccc31)Nc1ccccc1N2	ZINC000000861252	527031342	/nfs/dbraw/zinc/03/13/42/527031342.db2.gz	SSPBPHSKZQHDGD-XGCWNURASA-N	0	0	439.946	6.801	50	30		IKEARN
O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1cccc(C(F)(F)F)c1)Nc1ccccc1N2	ZINC000000710780	527032971	/nfs/dbraw/zinc/03/29/71/527032971.db2.gz	WUMXPTFQJQQTPD-IQMFZBJNSA-N	0	0	440.490	6.746	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccccc1C(F)(F)F)Nc1ccccc1N2	ZINC000000970923	527033082	/nfs/dbraw/zinc/03/30/82/527033082.db2.gz	CSZDKWFUAMZIAD-CRICUBBOSA-N	0	0	434.461	6.685	50	30		IKEARN
O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Br)s1	ZINC000036245334	527043055	/nfs/dbraw/zinc/04/30/55/527043055.db2.gz	HZQUTHQUCZTWHX-YRNVUSSQSA-N	0	0	433.274	5.421	50	30		IKEARN
O=C1N/C(=N\c2ccccc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12	ZINC000097406733	527043120	/nfs/dbraw/zinc/04/31/20/527043120.db2.gz	LTFKDVHRYNOPCR-UCQKPKSFSA-N	0	0	427.504	5.720	50	30		IKEARN
O=C1N/C(=N\c2ccc(O)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)s1	ZINC000057434719	527043562	/nfs/dbraw/zinc/04/35/62/527043562.db2.gz	XFRMKSHAOIFRSJ-ZDLGFXPLSA-N	0	0	447.368	6.319	50	30		IKEARN
Cn1c2ccc(/N=C/c3ccc([N+](=O)[O-])o3)cc2nc1-c1ccc(Br)s1	ZINC000004543037	527096642	/nfs/dbraw/zinc/09/66/42/527096642.db2.gz	DNIMLJASOZSXJX-DJKKODMXSA-N	0	0	431.271	5.316	50	30		IKEARN
O=C1ON(c2ccccc2)[C@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1	ZINC000002246798	527098836	/nfs/dbraw/zinc/09/88/36/527098836.db2.gz	XXQXNPFDFHFSKC-LJQANCHMSA-N	0	0	429.701	6.180	50	30		IKEARN
O=C(Nc1cc(-c2onc3c2CCCC3)ccc1Cl)C(F)(F)C(F)(F)C(F)(F)F	ZINC000022670334	527100199	/nfs/dbraw/zinc/10/01/99/527100199.db2.gz	SOIMWOIZEKMTMC-UHFFFAOYSA-N	0	0	444.734	5.645	50	30		IKEARN
O=C1[C@H](Cc2cccc(Cl)c2Cl)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000002671065	527112165	/nfs/dbraw/zinc/11/21/65/527112165.db2.gz	PENRTCCVDAAWQS-NWIBBQCFSA-N	0	0	427.356	6.372	50	30		IKEARN
Cc1nc2cc(N=C3SC(=CNc4ccc(C)c(Cl)c4)C(=O)N3C)ccc2s1	ZINC000008927954	527113972	/nfs/dbraw/zinc/11/39/72/527113972.db2.gz	GVIKWKVSUOHRSL-KNNUAVEPSA-N	0	0	428.970	5.713	50	30		IKEARN
O=C1c2ccc(OCc3ccccc3Cl)cc2O/C1=C\c1ccc(Br)cc1	ZINC000011865056	527122282	/nfs/dbraw/zinc/12/22/82/527122282.db2.gz	FOEFCUMPJFKGQO-NHDPSOOVSA-N	0	0	441.708	6.298	50	30		IKEARN
O=C1c2ccc(OCc3ccc(Br)cc3)cc2O/C1=C\c1ccc(F)cc1	ZINC000011869307	527123546	/nfs/dbraw/zinc/12/35/46/527123546.db2.gz	KYNVTYGRVVIZJL-NHDPSOOVSA-N	0	0	425.253	5.783	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccccc3)cc2O/C1=C\c1ccc(Cl)c(Cl)c1	ZINC000008992396	527123964	/nfs/dbraw/zinc/12/39/64/527123964.db2.gz	MCIVAUJGXHIQNR-JAIQZWGSSA-N	0	0	447.295	5.377	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccc(Cl)cc1	ZINC000009420387	527124377	/nfs/dbraw/zinc/12/43/77/527124377.db2.gz	BAMTZYJMXSXREB-JAIQZWGSSA-N	0	0	447.295	5.377	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	ZINC000002960337	527128163	/nfs/dbraw/zinc/12/81/63/527128163.db2.gz	DNXZREIECZYYIM-UHFFFAOYSA-N	0	0	427.258	6.174	50	30		IKEARN
O=C1c2sccc2N(Cc2cccc(F)c2)S(=O)(=O)C1=CNc1ccccc1Cl	ZINC000020575847	527139199	/nfs/dbraw/zinc/13/91/99/527139199.db2.gz	OEJRBTXDUFYFKV-WQRHYEAKSA-N	0	0	448.928	5.027	50	30		IKEARN
Cn1cc(/C=C2\S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)c2ccccc21	ZINC000013804167	527144480	/nfs/dbraw/zinc/14/44/80/527144480.db2.gz	ICRDPCTXTPJWDN-IUXPMGMMSA-N	0	0	435.858	5.742	50	30		IKEARN
O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F	ZINC000012756341	527245641	/nfs/dbraw/zinc/24/56/41/527245641.db2.gz	QSKZIXYXWMDEDN-UHFFFAOYSA-N	0	0	447.310	5.224	50	30		IKEARN
O=[N+]([O-])C(C=Nc1ccc(C2CCCCC2)cc1)=CNc1ccc(C2CCCCC2)cc1	ZINC000004793469	527318788	/nfs/dbraw/zinc/31/87/88/527318788.db2.gz	LEOQHCSULHBRTG-PEUXSCJASA-N	0	0	431.580	7.715	50	30		IKEARN
O=[N+]([O-])C(C=Nc1ccc(Br)cc1)=CNc1ccc(Br)cc1	ZINC000013635665	527318886	/nfs/dbraw/zinc/31/88/86/527318886.db2.gz	WHNDJOZUFLZCIU-MPGSNBGNSA-N	0	0	425.080	5.144	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]23)cc1	ZINC000036380297	527353048	/nfs/dbraw/zinc/35/30/48/527353048.db2.gz	LRZMINYCHKGPFT-SZNNIIRLSA-N	0	0	443.503	5.829	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]23)cc1	ZINC000012338456	527353298	/nfs/dbraw/zinc/35/32/98/527353298.db2.gz	LRZMINYCHKGPFT-CUNSSONQSA-N	0	0	443.503	5.829	50	30		IKEARN
O=[N+]([O-])c1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1	ZINC000000659954	527356903	/nfs/dbraw/zinc/35/69/03/527356903.db2.gz	YJAKOAMKUVHCJK-WPWMEQJKSA-N	0	0	440.503	5.185	50	30		IKEARN
O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1	ZINC000009296734	527359687	/nfs/dbraw/zinc/35/96/87/527359687.db2.gz	YBJZTIUCENMTQN-WSDLNYQXSA-N	0	0	426.816	5.181	50	30		IKEARN
O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1	ZINC000021722293	527415688	/nfs/dbraw/zinc/41/56/88/527415688.db2.gz	RUOFGBLAJCLENB-HSZRJFAPSA-N	0	0	433.895	6.145	50	30		IKEARN
O=C(Nc1ccccc1Cl)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1	ZINC000021722291	527416030	/nfs/dbraw/zinc/41/60/30/527416030.db2.gz	RUOFGBLAJCLENB-QHCPKHFHSA-N	0	0	433.895	6.145	50	30		IKEARN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccco1)C(F)(F)F	ZINC000004199805	527449014	/nfs/dbraw/zinc/44/90/14/527449014.db2.gz	WDXYBELJSVHFQV-LRTDBIEQSA-N	0	0	442.393	5.336	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccccc2Cl)nc1-c1ccccc1)c1ccccc1	ZINC000013590937	527540646	/nfs/dbraw/zinc/54/06/46/527540646.db2.gz	MMKXZSIBWGMIJM-MFKUBSTISA-N	0	0	432.936	6.162	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccccc2)nc1-c1ccc(Cl)cc1)c1cccs1	ZINC000016753176	527540671	/nfs/dbraw/zinc/54/06/71/527540671.db2.gz	KLKPJYIVLBIENL-YDZHTSKRSA-N	0	0	438.965	6.223	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc3c(c1)OCO3)C1C(=O)c3ccccc3C1=N2	ZINC000003257387	527554167	/nfs/dbraw/zinc/55/41/67/527554167.db2.gz	LIJJATIVOPBHET-QHCPKHFHSA-N	0	0	433.467	5.074	50	30		IKEARN
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc12	ZINC000012621124	527555815	/nfs/dbraw/zinc/55/58/15/527555815.db2.gz	BCRAWWLKBYEBHZ-UHFFFAOYSA-N	0	0	432.574	5.850	50	30		IKEARN
Cc1nn(-c2ccccc2C(F)(F)F)c2c1[C@H](c1cccc(F)c1)C1=C(CCCC1=O)N2	ZINC000012583709	527564940	/nfs/dbraw/zinc/56/49/40/527564940.db2.gz	RAPDFXNYVICRSI-NRFANRHFSA-N	0	0	441.428	5.903	50	30		IKEARN
Cc1nn(-c2nc3ccccc3s2)c2c1[C@@H]([C@@H]1CC=CCC1)C1=C(CC(C)(C)CC1=O)N2	ZINC000012589297	527571907	/nfs/dbraw/zinc/57/19/07/527571907.db2.gz	GIVACYCDGIYMJO-OPAMFIHVSA-N	0	0	444.604	6.299	50	30		IKEARN
O=C(/C(=C\c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1)c1ccccc1	ZINC000022130543	527590590	/nfs/dbraw/zinc/59/05/90/527590590.db2.gz	XAFNWJWTPVDGOJ-RELWKKBWSA-N	0	0	426.541	5.556	50	30		IKEARN
O=C(/C(=C/c1c(F)cccc1F)c1nc2ccccc2[nH]1)c1ccc(Br)cc1	ZINC000012659785	527591444	/nfs/dbraw/zinc/59/14/44/527591444.db2.gz	LAMHXVFJKLZVQF-VBKFSLOCSA-N	0	0	439.259	6.027	50	30		IKEARN
O=C(/C(=C\c1c[nH]c2ccccc12)c1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1	ZINC000012619719	527591560	/nfs/dbraw/zinc/59/15/60/527591560.db2.gz	FJJQMFYEXUTOTN-CPNJWEJPSA-N	0	0	429.426	6.069	50	30		IKEARN
O=C(/C(=C/c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2[nH]1)c1ccccc1	ZINC000012600767	527591749	/nfs/dbraw/zinc/59/17/49/527591749.db2.gz	TXKFZDXZMNXYKN-PLRJNAJWSA-N	0	0	430.507	6.565	50	30		IKEARN
O=C(/C=C/c1cc([N+](=O)[O-])ccc1N1CCC(C(F)(F)F)CC1)c1ccc(Cl)cc1	ZINC000263639857	527602490	/nfs/dbraw/zinc/60/24/90/527602490.db2.gz	MJCGIQBSBMWTHX-FPYGCLRLSA-N	0	0	438.833	5.923	50	30		IKEARN
O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2noc(-c3ccccc3)c2c1	ZINC000010272150	527602773	/nfs/dbraw/zinc/60/27/73/527602773.db2.gz	PSANPMQSSJDTER-SDNWHVSQSA-N	0	0	425.871	7.304	50	30		IKEARN
O=C(/C=C/c1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1)c1ccc(F)cc1	ZINC000008782025	527604748	/nfs/dbraw/zinc/60/47/48/527604748.db2.gz	SEPAHOILTXRJPS-IAGONARPSA-N	0	0	435.292	6.380	50	30		IKEARN
O=C(/C=C/c1ccc(Br)cc1)c1cc2cc(Br)ccc2oc1=O	ZINC000020617681	527605843	/nfs/dbraw/zinc/60/58/43/527605843.db2.gz	QBCWNTQANVYTNC-XVNBXDOJSA-N	0	0	434.083	5.214	50	30		IKEARN
O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccc(OC(F)F)cc1OC(F)F	ZINC000015979659	527617876	/nfs/dbraw/zinc/61/78/76/527617876.db2.gz	ICFWZBMJTGHPOY-MDWZMJQESA-N	0	0	446.396	6.365	50	30		IKEARN
O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1ccccc1OC(F)F	ZINC000009539566	527618199	/nfs/dbraw/zinc/61/81/99/527618199.db2.gz	ASEVCKUUHATXDL-SOFGYWHQSA-N	0	0	429.404	5.034	50	30		IKEARN
O=C(/C=C/c1cccc(NC(=O)c2ccccc2)c1)c1cccc(NC(=O)c2ccccc2)c1	ZINC000013954989	527626585	/nfs/dbraw/zinc/62/65/85/527626585.db2.gz	IPWLHYSXJOKDFW-ISLYRVAYSA-N	0	0	446.506	6.087	50	30		IKEARN
Cc1nn(C)c(C)c1CNC(=NC(=O)c1ccc(C)c(C)c1)Nc1cccc(Cl)c1C	ZINC000032972394	527628086	/nfs/dbraw/zinc/62/80/86/527628086.db2.gz	JSMONFRBGOMDAA-UHFFFAOYSA-N	0	0	437.975	5.014	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O	ZINC000013653661	527633305	/nfs/dbraw/zinc/63/33/05/527633305.db2.gz	NXHQZHWFMNLASK-WSHPORRNSA-N	0	0	447.284	5.684	50	30		IKEARN
O=C(/C=C/c1ccccc1F)c1cc(F)ccc1OC(=O)c1ccccc1Br	ZINC000009087544	527635544	/nfs/dbraw/zinc/63/55/44/527635544.db2.gz	IJBGIDNOIXWFQN-PKNBQFBNSA-N	0	0	443.243	5.843	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1ccccc1	ZINC000033424227	527646092	/nfs/dbraw/zinc/64/60/92/527646092.db2.gz	AHIQZHNJTIRWLG-CCEZHUSRSA-N	0	0	429.317	6.198	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)c1cccs1	ZINC000012564699	527646339	/nfs/dbraw/zinc/64/63/39/527646339.db2.gz	VNZPCJPEJWDQNC-VAWYXSNFSA-N	0	0	435.346	6.259	50	30		IKEARN
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(-c2ccccc2)cc1	ZINC000012558319	527646821	/nfs/dbraw/zinc/64/68/21/527646821.db2.gz	BXXIGSAQVWQYRB-ISLYRVAYSA-N	0	0	427.507	6.497	50	30		IKEARN
O=C(/C=C/c1nc2ccccc2[nH]1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000013641346	527650813	/nfs/dbraw/zinc/65/08/13/527650813.db2.gz	SBOKKVUBLNZTCT-OUKQBFOZSA-N	0	0	425.875	5.621	50	30		IKEARN
O=C(/C=C\c1ccccc1)c1ccc(Oc2ccc(C(=O)/C=C\c3ccccc3)cc2)cc1	ZINC000097359937	527658224	/nfs/dbraw/zinc/65/82/24/527658224.db2.gz	FCMDBCYIDNQJGM-IINORCHSSA-N	0	0	430.503	7.271	50	30		IKEARN
FC(F)(F)c1cccc(NN=C2c3ccccc3N=C2SCc2ccccc2Cl)c1	ZINC000012959216	527685872	/nfs/dbraw/zinc/68/58/72/527685872.db2.gz	CIRYBPIDMVBQSB-BRPDVVIDSA-N	0	0	445.897	7.152	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OCc2ccccc2)c1	ZINC000000626976	555513139	/nfs/dbraw/zinc/51/31/39/555513139.db2.gz	YGGFGMYIPDTDLB-DEOSSOPVSA-N	0	0	431.532	5.043	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1	ZINC000000628599	555513793	/nfs/dbraw/zinc/51/37/93/555513793.db2.gz	YHWWFAYHZHMFBP-QHCPKHFHSA-N	0	0	439.939	5.767	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1	ZINC000000630117	555514199	/nfs/dbraw/zinc/51/41/99/555514199.db2.gz	YWAXPUVZPSJNGK-XRHLQHRESA-N	0	0	440.499	5.403	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc3c(c2)OCO3)cc1	ZINC000000630121	555514224	/nfs/dbraw/zinc/51/42/24/555514224.db2.gz	YWAXPUVZPSJNGK-DNOBIOAJSA-N	0	0	440.499	5.403	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3c(c2)OCO3)cc1	ZINC000000630130	555514621	/nfs/dbraw/zinc/51/46/21/555514621.db2.gz	YWAXPUVZPSJNGK-CLYVBNDRSA-N	0	0	440.499	5.403	50	30		IKEARN
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC	ZINC000000653970	555524066	/nfs/dbraw/zinc/52/40/66/555524066.db2.gz	VBFOZFKPZMPSHO-UHFFFAOYSA-N	0	0	437.580	5.457	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(Sc2ccccc2)o1	ZINC000000654038	555524129	/nfs/dbraw/zinc/52/41/29/555524129.db2.gz	SMAQQHDNAMPQGO-NRFANRHFSA-N	0	0	429.497	5.172	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2	ZINC000000672258	555531897	/nfs/dbraw/zinc/53/18/97/555531897.db2.gz	KUVCTWBIVUECOM-VKGTZQKMSA-N	0	0	440.543	6.073	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000000672281	555531931	/nfs/dbraw/zinc/53/19/31/555531931.db2.gz	LOHBBIJNKKFBPB-UZTOHYMASA-N	0	0	427.548	6.105	50	30		IKEARN
CCN(CC)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccco2)C3)cc1	ZINC000000672277	555531958	/nfs/dbraw/zinc/53/19/58/555531958.db2.gz	LOHBBIJNKKFBPB-XHCCPWGMSA-N	0	0	427.548	6.105	50	30		IKEARN
CC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000674137	555532737	/nfs/dbraw/zinc/53/27/37/555532737.db2.gz	MDSSCXDGYAOCPG-CRICUBBOSA-N	0	0	443.459	5.108	50	30		IKEARN
O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@@H](c1ccc(Cl)cc1)Nc1ccccc1N2	ZINC000000681893	555537694	/nfs/dbraw/zinc/53/76/94/555537694.db2.gz	GLQSVDUEQKXPIZ-SSOJOUAXSA-N	0	0	445.906	6.228	50	30		IKEARN
O=C1C[C@H](c2cccc([N+](=O)[O-])c2)CC2=C1[C@H](c1ccc(Cl)cc1)Nc1ccccc1N2	ZINC000000681890	555537721	/nfs/dbraw/zinc/53/77/21/555537721.db2.gz	GLQSVDUEQKXPIZ-NSYGIPOTSA-N	0	0	445.906	6.228	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccccc2C(F)(F)F)n1	ZINC000000688404	555541305	/nfs/dbraw/zinc/54/13/05/555541305.db2.gz	GCNGHUCAMXSTCS-NRFANRHFSA-N	0	0	441.453	5.015	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000000688809	555541346	/nfs/dbraw/zinc/54/13/46/555541346.db2.gz	RBSIDMDQXNRZGZ-QHCPKHFHSA-N	0	0	442.481	6.258	50	30		IKEARN
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000000708826	555545769	/nfs/dbraw/zinc/54/57/69/555545769.db2.gz	VEMXZDDCIZHGKV-BKMJKUGQSA-N	0	0	443.543	5.044	50	30	biogenic	IKEARN
COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC	ZINC000000709480	555546441	/nfs/dbraw/zinc/54/64/41/555546441.db2.gz	RATACYVCUKXARC-VWLOTQADSA-N	0	0	444.531	5.570	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1OC	ZINC000000709539	555546520	/nfs/dbraw/zinc/54/65/20/555546520.db2.gz	JQNXMVSIJFLSCI-WTYVLRPYSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1OC	ZINC000000709537	555546530	/nfs/dbraw/zinc/54/65/30/555546530.db2.gz	JQNXMVSIJFLSCI-PIIWDFAUSA-N	0	0	440.543	6.073	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccncc2)cc1OC	ZINC000000709638	555546813	/nfs/dbraw/zinc/54/68/13/555546813.db2.gz	YSPATPBMNCXEOI-QYBDOPJKSA-N	0	0	427.504	5.078	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(F)c2)cc1OC	ZINC000000709951	555546834	/nfs/dbraw/zinc/54/68/34/555546834.db2.gz	CCSSORKAWNHSNJ-XRHLQHRESA-N	0	0	444.506	5.822	50	30		IKEARN
O=c1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2cccs2)C3)oc2ccccc12	ZINC000000711583	555547391	/nfs/dbraw/zinc/54/73/91/555547391.db2.gz	KBXAJVANAVAWLX-PVPMGCCUSA-N	0	0	440.524	5.834	50	30		IKEARN
Cc1c(/N=C/c2ccc(Sc3nc4ccccc4s3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000000711987	555547418	/nfs/dbraw/zinc/54/74/18/555547418.db2.gz	KFIGDALUGGHDDJ-ZVHZXABRSA-N	0	0	446.557	5.589	50	30		IKEARN
O=C(CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1)NCCc1ccccc1	ZINC000000712822	555547634	/nfs/dbraw/zinc/54/76/34/555547634.db2.gz	VABQBJFUZNLOKJ-CVKSISIWSA-N	0	0	447.585	5.204	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cccc(C(F)(F)F)c1	ZINC000000717036	555548871	/nfs/dbraw/zinc/54/88/71/555548871.db2.gz	RFBYMWAFDRFDDM-VBKZILBWSA-N	0	0	447.478	5.302	50	30		IKEARN
COc1cc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)ccc1O	ZINC000000720495	555549762	/nfs/dbraw/zinc/54/97/62/555549762.db2.gz	ALLHTRHSEXYSHK-AKJBCIBTSA-N	0	0	446.934	6.034	50	30		IKEARN
CCOc1cc([C@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc(Cl)c1O	ZINC000000720756	555549942	/nfs/dbraw/zinc/54/99/42/555549942.db2.gz	ZHVJSRZXIJMSLS-HSZRJFAPSA-N	0	0	440.971	6.283	50	30		IKEARN
COc1ccc([C@@H]2C(=C(O)C=Cc3ccccc3)C(=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000000721238	555550156	/nfs/dbraw/zinc/55/01/56/555550156.db2.gz	QMPAZLQZGXTCEK-PLDZGXPLSA-N	0	0	425.484	5.186	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc(-c4ccccc4)nn3[C@H]2c2ccc(Cl)cc2Cl)C1	ZINC000000723972	555550780	/nfs/dbraw/zinc/55/07/80/555550780.db2.gz	RPEXZPCNTZUVJG-FQEVSTJZSA-N	0	0	439.346	5.910	50	30		IKEARN
CCc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000000726683	555551564	/nfs/dbraw/zinc/55/15/64/555551564.db2.gz	ZTFTZLTWCFXRRA-VWLOTQADSA-N	0	0	429.560	5.596	50	30		IKEARN
COc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c(OC)c1	ZINC000000781129	555555028	/nfs/dbraw/zinc/55/50/28/555555028.db2.gz	COCBLBSQRYDPIB-CLYVBNDRSA-N	0	0	426.516	5.683	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781242	555555171	/nfs/dbraw/zinc/55/51/71/555555171.db2.gz	CTKAJFWUYWTFMS-MZNJEOGPSA-N	0	0	449.572	5.301	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781283	555555219	/nfs/dbraw/zinc/55/52/19/555555219.db2.gz	VNTBBYYGWZQXCW-HXOBKFHXSA-N	0	0	437.561	5.015	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781298	555555241	/nfs/dbraw/zinc/55/52/41/555555241.db2.gz	CYRJXPPPAOQGQD-UZUQRXQVSA-N	0	0	439.552	5.448	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000000781254	555555289	/nfs/dbraw/zinc/55/52/89/555555289.db2.gz	LNQPVILKDZBTBG-ZHRRBRCNSA-N	0	0	425.525	5.200	50	30		IKEARN
CCOc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)c1	ZINC000000805507	555560015	/nfs/dbraw/zinc/56/00/15/555560015.db2.gz	BFLSOFSVIURLKS-PIIWDFAUSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000000808700	555560278	/nfs/dbraw/zinc/56/02/78/555560278.db2.gz	RYGONUJZKYOZNN-NGOKVRLYSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1	ZINC000000808705	555560297	/nfs/dbraw/zinc/56/02/97/555560297.db2.gz	RYGONUJZKYOZNN-WTYVLRPYSA-N	0	0	440.543	6.073	50	30		IKEARN
CCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(OC)cc2)C3)cc1	ZINC000000808702	555560320	/nfs/dbraw/zinc/56/03/20/555560320.db2.gz	RYGONUJZKYOZNN-PIIWDFAUSA-N	0	0	440.543	6.073	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000811229	555560640	/nfs/dbraw/zinc/56/06/40/555560640.db2.gz	ZYVPCBFLZWXWBQ-LVXARBLLSA-N	0	0	444.575	5.066	50	30		IKEARN
COc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)ccc1O	ZINC000000815828	555562107	/nfs/dbraw/zinc/56/21/07/555562107.db2.gz	MMOUQZPPZBBYDD-PPHZAIPVSA-N	0	0	426.516	5.689	50	30		IKEARN
CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000000822770	555564535	/nfs/dbraw/zinc/56/45/35/555564535.db2.gz	URHCQHNCKYUNEI-CYFREDJKSA-N	0	0	435.951	5.653	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc(F)cc1	ZINC000000844129	555568406	/nfs/dbraw/zinc/56/84/06/555568406.db2.gz	SJNPZJQFLYAIKK-SBUREZEXSA-N	0	0	439.914	5.404	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000000853748	555570820	/nfs/dbraw/zinc/57/08/20/555570820.db2.gz	WYHRPDDRWYVJSZ-LVXARBLLSA-N	0	0	445.559	5.399	50	30		IKEARN
Cc1cc2c(cc1C)N[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)C1=C(CC(C)(C)CC1=O)N2	ZINC000000861012	555572080	/nfs/dbraw/zinc/57/20/80/555572080.db2.gz	CCILKLKMVFVRRU-QFIPXVFZSA-N	0	0	425.916	6.087	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2c(F)cccc2F)cc1	ZINC000000883137	555578122	/nfs/dbraw/zinc/57/81/22/555578122.db2.gz	LBODXLCIFUOJRU-QMTYFTJSSA-N	0	0	432.470	5.953	50	30		IKEARN
Cc1ccc2occ([C@H]3Nc4ccccc4NC4=C3C(=O)C[C@@H](c3ccccc3)C4)c(=O)c2c1	ZINC000000883189	555578155	/nfs/dbraw/zinc/57/81/55/555578155.db2.gz	WJFKHABEGSLKLN-HMILPKGGSA-N	0	0	448.522	6.081	50	30	biogenic	IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2C)cc1OC	ZINC000000883390	555578406	/nfs/dbraw/zinc/57/84/06/555578406.db2.gz	BXJTUGWLCUHXTK-VKGTZQKMSA-N	0	0	440.543	5.992	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1	ZINC000000893673	555580007	/nfs/dbraw/zinc/58/00/07/555580007.db2.gz	IQINLGKEWVTTPJ-QYBDOPJKSA-N	0	0	430.935	6.328	50	30		IKEARN
COc1cccc([C@@H]2Nc3ccc(Cl)cc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1	ZINC000000893668	555580068	/nfs/dbraw/zinc/58/00/68/555580068.db2.gz	IQINLGKEWVTTPJ-DWXRJYCRSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000000974029	555592114	/nfs/dbraw/zinc/59/21/14/555592114.db2.gz	CAUZOPUGFBYSMU-WOJGMQOQSA-N	0	0	425.853	5.400	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@@H](c1ccc(Br)s1)Nc1ccc3ccccc3c12	ZINC000000986071	555594859	/nfs/dbraw/zinc/59/48/59/555594859.db2.gz	FFLJNLXJFDIMCN-QFIPXVFZSA-N	0	0	438.390	6.973	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@H]1c1cccs1	ZINC000000986589	555595064	/nfs/dbraw/zinc/59/50/64/555595064.db2.gz	ZTASUGYKTPNPGU-NIYFSFCBSA-N	0	0	442.584	6.305	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccccc1F	ZINC000000994272	555598001	/nfs/dbraw/zinc/59/80/01/555598001.db2.gz	IDEJIUWRQXBXJY-HXUWFJFHSA-N	0	0	432.417	5.531	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2C(F)(F)F)S/C1=N\c1ccc(C)cc1	ZINC000000996750	555598694	/nfs/dbraw/zinc/59/86/94/555598694.db2.gz	CAUZIJFGNYRKKO-LECRTAGSSA-N	0	0	447.482	5.160	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)S/C1=N\c1ccc(C(C)C)cc1	ZINC000001001569	555600121	/nfs/dbraw/zinc/60/01/21/555600121.db2.gz	NIHKSWNBESYGTQ-WNMDNWPKSA-N	0	0	449.620	6.080	50	30		IKEARN
Cc1ccc(-c2nn(CC(=O)Nc3cccc(C(F)(F)F)c3)c(=O)c3ccccc32)cc1	ZINC000001000914	555600215	/nfs/dbraw/zinc/60/02/15/555600215.db2.gz	KVSCTYHKDTWJRZ-UHFFFAOYSA-N	0	0	437.421	5.679	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2cccc(Cl)c2Cl)nc1	ZINC000001010067	555601660	/nfs/dbraw/zinc/60/16/60/555601660.db2.gz	AZLOQVQAYLALKF-HXUWFJFHSA-N	0	0	442.346	5.303	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000001022099	555603644	/nfs/dbraw/zinc/60/36/44/555603644.db2.gz	JMIPJZLQDGJHKC-NFQMXDRXSA-N	0	0	442.559	5.319	50	30		IKEARN
Clc1ccc2nc(-c3ccco3)c(/N=C/c3ccc(I)cc3)n2c1	ZINC000001030037	555605610	/nfs/dbraw/zinc/60/56/10/555605610.db2.gz	OBOPCDCUKFZRLP-UFFVCSGVSA-N	0	0	447.663	5.603	50	30		IKEARN
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)O/N=C/c1cccc([N+](=O)[O-])c1	ZINC000001042692	555610301	/nfs/dbraw/zinc/61/03/01/555610301.db2.gz	QCJVGYXXCQENKL-ZVBGSRNCSA-N	0	0	435.223	5.448	50	30		IKEARN
CCOC(=O)[C@H]1C(=O)C=C(c2ccc3ccccc3c2)C[C@@H]1c1ccc(C(F)(F)F)cc1	ZINC000001046306	555610790	/nfs/dbraw/zinc/61/07/90/555610790.db2.gz	VOBNOMJLKJIYCY-ISKFKSNPSA-N	0	0	438.445	6.178	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@H]2c2ccccc2)sc1C	ZINC000001052642	555613561	/nfs/dbraw/zinc/61/35/61/555613561.db2.gz	WJIPRCZVZIFPFJ-HXUWFJFHSA-N	0	0	430.485	5.289	50	30		IKEARN
Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	ZINC000001095454	555627842	/nfs/dbraw/zinc/62/78/42/555627842.db2.gz	DVUCCWMTUFHVLB-OGLMXYFKSA-N	0	0	444.604	5.493	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(OCc3ccccc3Cl)cc1)C1=C(CCCC1=O)N2	ZINC000001095394	555627893	/nfs/dbraw/zinc/62/78/93/555627893.db2.gz	BBKWKDXGHYDVOY-UHFFFAOYSA-N	0	0	433.935	5.620	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(SC)cc1	ZINC000001130162	555643922	/nfs/dbraw/zinc/64/39/22/555643922.db2.gz	SAXCBFNQTZAPLH-NTKDMRAZSA-N	0	0	433.573	5.333	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000001132705	555645406	/nfs/dbraw/zinc/64/54/06/555645406.db2.gz	VQXJVTIPWUYNDX-NRFANRHFSA-N	0	0	445.321	5.739	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2coc3ccccc3c2=O)C2=C(CCCC2=O)N1	ZINC000001155931	555658617	/nfs/dbraw/zinc/65/86/17/555658617.db2.gz	GAPWZHICPGVRHT-DEOSSOPVSA-N	0	0	447.531	5.027	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(O)c(Cl)c1)C1=C(CCCC1=O)N2Cc1ccccc1	ZINC000001156538	555658953	/nfs/dbraw/zinc/65/89/53/555658953.db2.gz	OBJVLORQHHIDIO-UHFFFAOYSA-N	0	0	433.935	5.659	50	30		IKEARN
COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1cccc(F)c1	ZINC000001156394	555658958	/nfs/dbraw/zinc/65/89/58/555658958.db2.gz	MZYPCAYGYBXGOQ-UHFFFAOYSA-N	0	0	448.490	5.541	50	30		IKEARN
CCN1C2=C(C(=O)CCC2)C(c2ccccc2OCc2ccc(F)cc2)C2=C1CCCC2=O	ZINC000001156575	555659240	/nfs/dbraw/zinc/65/92/40/555659240.db2.gz	IBXHWAXPRLFMNL-UHFFFAOYSA-N	0	0	445.534	5.838	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(OCc3cccc4ccccc43)cc1)C1=C(CCCC1=O)N2	ZINC000001156771	555659287	/nfs/dbraw/zinc/65/92/87/555659287.db2.gz	KCZNNUASQFIQHW-UHFFFAOYSA-N	0	0	449.550	6.120	50	30		IKEARN
CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl	ZINC000001158224	555660204	/nfs/dbraw/zinc/66/02/04/555660204.db2.gz	XFDNYZLPXAHAAD-UHFFFAOYSA-N	0	0	428.956	6.139	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1OCc1cccc(F)c1	ZINC000001161321	555661968	/nfs/dbraw/zinc/66/19/68/555661968.db2.gz	XUVJPNHBJGODLS-UHFFFAOYSA-N	0	0	437.264	5.630	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ncccc31)N[C@H]2c1ccc(Br)cc1	ZINC000001173374	555668142	/nfs/dbraw/zinc/66/81/42/555668142.db2.gz	BICWBKMWXBHNKD-QHCPKHFHSA-N	0	0	433.349	6.307	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccsc2)C2=C(CCCC2=O)N1	ZINC000001175440	555669440	/nfs/dbraw/zinc/66/94/40/555669440.db2.gz	ABSKUYHPUOTOHA-LJQANCHMSA-N	0	0	432.467	5.374	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccsc2)C2=C(C[C@H](c3cccs3)CC2=O)N1	ZINC000001184510	555673372	/nfs/dbraw/zinc/67/33/72/555673372.db2.gz	XWIKZAASTVWJOU-KKSFZXQISA-N	0	0	427.591	5.370	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl	ZINC000001201886	555678790	/nfs/dbraw/zinc/67/87/90/555678790.db2.gz	NICAULMNTWUNIH-OYHNWAKOSA-N	0	0	442.342	5.528	50	30		IKEARN
Cn1cccc1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(=O)Cc1ccccc1	ZINC000001201652	555678798	/nfs/dbraw/zinc/67/87/98/555678798.db2.gz	LSQGSDDXGORWJA-MHZLTWQESA-N	0	0	439.559	5.411	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl	ZINC000001201889	555678817	/nfs/dbraw/zinc/67/88/17/555678817.db2.gz	NICAULMNTWUNIH-NYHFZMIOSA-N	0	0	442.342	5.528	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000001202581	555679074	/nfs/dbraw/zinc/67/90/74/555679074.db2.gz	VAHSKKMELNMDEV-UQBPGWFLSA-N	0	0	433.523	5.387	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(F)cc2)cc1	ZINC000001204428	555679950	/nfs/dbraw/zinc/67/99/50/555679950.db2.gz	LMWOXDKLWIKHDC-XTXDOFFSSA-N	0	0	429.447	5.017	50	30		IKEARN
COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O	ZINC000001215705	555683953	/nfs/dbraw/zinc/68/39/53/555683953.db2.gz	ZCEACTMKSLSULO-UZTOHYMASA-N	0	0	426.516	5.689	50	30		IKEARN
COc1cc([C@H]2Nc3cc(C)ccc3NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O	ZINC000001215701	555683976	/nfs/dbraw/zinc/68/39/76/555683976.db2.gz	ZCEACTMKSLSULO-XHCCPWGMSA-N	0	0	426.516	5.689	50	30		IKEARN
Cc1ccc2c(c1)N[C@H](c1cccc([N+](=O)[O-])c1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000001216814	555684234	/nfs/dbraw/zinc/68/42/34/555684234.db2.gz	XLAHUQIIMZNDHU-NIYFSFCBSA-N	0	0	425.488	5.883	50	30		IKEARN
COc1cc(OC)c([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000001264573	555688333	/nfs/dbraw/zinc/68/83/33/555688333.db2.gz	YPADTQSWVQUGSH-VWLOTQADSA-N	0	0	436.552	5.551	50	30		IKEARN
COc1cccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)c1	ZINC000001409136	555693968	/nfs/dbraw/zinc/69/39/68/555693968.db2.gz	JQTIPGOKXZTPEI-HFJWLAOPSA-N	0	0	430.935	6.328	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccs1)c1ccc(F)cc1	ZINC000001413462	555694724	/nfs/dbraw/zinc/69/47/24/555694724.db2.gz	DEQPEHJGLWNOEA-QFIPXVFZSA-N	0	0	446.503	5.190	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1	ZINC000001428428	555696128	/nfs/dbraw/zinc/69/61/28/555696128.db2.gz	OQKTUFQUZMLROU-LJQANCHMSA-N	0	0	431.344	5.758	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NS(=O)(=O)c1ccccc1	ZINC000001428427	555696277	/nfs/dbraw/zinc/69/62/77/555696277.db2.gz	OQKTUFQUZMLROU-IBGZPJMESA-N	0	0	431.344	5.758	50	30		IKEARN
O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc3c(c1)OCO3)c1c(ccc3ccccc31)N2	ZINC000001445917	555698682	/nfs/dbraw/zinc/69/86/82/555698682.db2.gz	ZFRJQLJGTOIGFV-WXTAPIANSA-N	0	0	435.479	6.120	50	30		IKEARN
Cc1ccccc1N1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001445386	555698744	/nfs/dbraw/zinc/69/87/44/555698744.db2.gz	QDJOTKIJRDKOTD-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccc(C)cc2N[C@H]3c2ccc(F)cc2)cc1	ZINC000001457561	555700208	/nfs/dbraw/zinc/70/02/08/555700208.db2.gz	SZKORZTXWSYTIG-PPHZAIPVSA-N	0	0	428.507	6.122	50	30		IKEARN
CN(C)c1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(F)cc2)cc1	ZINC000001459245	555700245	/nfs/dbraw/zinc/70/02/45/555700245.db2.gz	AWCFAQPUAJPTMI-XHCCPWGMSA-N	0	0	427.523	5.871	50	30		IKEARN
CCCc1ccc(O)c(/N=C/c2c(O)c(OC)cc(Br)c2Br)c1	ZINC000001507192	555702121	/nfs/dbraw/zinc/70/21/21/555702121.db2.gz	OBEGQUWVJWSQOA-AWQFTUOYSA-N	0	0	443.135	5.335	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2cccc(-c3nc4cc(C)ccc4o3)c2)c1O	ZINC000001513952	555702461	/nfs/dbraw/zinc/70/24/61/555702461.db2.gz	XGSXFNAQDLYQFS-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
CC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000001764019	555712659	/nfs/dbraw/zinc/71/26/59/555712659.db2.gz	GYFJFORLMLPDHU-NRFANRHFSA-N	0	0	443.981	5.481	50	30		IKEARN
Brc1cccc(-c2nc3cc(/N=C/C=C/c4ccc5c(c4)OCO5)ccc3o2)c1	ZINC000001924074	555725107	/nfs/dbraw/zinc/72/51/07/555725107.db2.gz	PKDUHMHSMTVTIK-MGTGSMBQSA-N	0	0	447.288	6.402	50	30		IKEARN
Oc1cc(/N=C/C=C/c2ccc(Cl)cc2Cl)ccc1-c1nc2ccccc2s1	ZINC000002052785	555729486	/nfs/dbraw/zinc/72/94/86/555729486.db2.gz	VZVIXTXZGMNUNK-UMKNWRDPSA-N	0	0	425.340	7.391	50	30		IKEARN
CCOc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1O	ZINC000002053271	555729617	/nfs/dbraw/zinc/72/96/17/555729617.db2.gz	AJWQMYBKWREWSE-ZMOGYAJESA-N	0	0	437.293	6.112	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(Cl)c2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000002055130	555730375	/nfs/dbraw/zinc/73/03/75/555730375.db2.gz	MZGLMJVWCWYORV-FQEVSTJZSA-N	0	0	448.390	6.083	50	30		IKEARN
CCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O	ZINC000002062826	555732501	/nfs/dbraw/zinc/73/25/01/555732501.db2.gz	BHCUKCAOAFYBRT-UHFFFAOYSA-N	0	0	448.346	6.311	50	30		IKEARN
CCCCCCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O	ZINC000002062842	555732524	/nfs/dbraw/zinc/73/25/24/555732524.db2.gz	XEAWJRMTQCYSMO-UHFFFAOYSA-N	0	0	441.955	6.438	50	30		IKEARN
CCCCCCCCCC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cc(C)ccc1C	ZINC000002063010	555732813	/nfs/dbraw/zinc/73/28/13/555732813.db2.gz	UNKKJBDEJJMDBC-UHFFFAOYSA-N	0	0	434.580	6.031	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)[C@H](c1ccccc1Br)Nc1ccc3ccccc3c12	ZINC000002071142	555734768	/nfs/dbraw/zinc/73/47/68/555734768.db2.gz	MHUMJMPOTSSEDX-DEOSSOPVSA-N	0	0	432.361	6.912	50	30		IKEARN
O=P(/C(=N\c1ccc(Cl)cc1)N1CCCCC1)(N1CCCCC1)N1CCCCC1	ZINC000002072550	555735086	/nfs/dbraw/zinc/73/50/86/555735086.db2.gz	WTPPPBXALHACPX-GYHWCHFESA-N	0	0	436.968	5.978	50	30		IKEARN
C=CCN1c2ccccc2/C(=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)C1=O	ZINC000002073902	555735344	/nfs/dbraw/zinc/73/53/44/555735344.db2.gz	BXXRDAYKUQBRGG-YZYICMKNSA-N	0	0	437.524	5.398	50	30		IKEARN
CN1C(=O)C(=C(c2ccccc2)c2ccccc2)C(C(=O)c2ccccc2)=C1c1ccccc1	ZINC000002077843	555735991	/nfs/dbraw/zinc/73/59/91/555735991.db2.gz	AIFHJMVROBNUNS-UHFFFAOYSA-N	0	0	441.530	6.255	50	30		IKEARN
CCc1ccccc1/N=C1\S/C(=C\c2ccc(O)c(O)c2)C(=O)N1c1ccccc1CC	ZINC000002084018	555739171	/nfs/dbraw/zinc/73/91/71/555739171.db2.gz	FAEGEQUQYWQHDI-LMTJQJACSA-N	0	0	444.556	6.031	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3cccc(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C	ZINC000002084846	555739737	/nfs/dbraw/zinc/73/97/37/555739737.db2.gz	PIYTUXFPRDSHRQ-PNTLFUMMSA-N	0	0	428.557	6.434	50	30		IKEARN
Cc1ccc(-n2c(SCC#N)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1	ZINC000002115827	555744892	/nfs/dbraw/zinc/74/48/92/555744892.db2.gz	FZULDKKSHIFTIT-UHFFFAOYSA-N	0	0	427.573	5.582	50	30		IKEARN
S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1	ZINC000002122608	555745571	/nfs/dbraw/zinc/74/55/71/555745571.db2.gz	DCWAWJOUIVROSI-WSECFMCKSA-N	0	0	432.552	6.759	50	30		IKEARN
O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1	ZINC000002128506	555745914	/nfs/dbraw/zinc/74/59/14/555745914.db2.gz	GWJRFJYXWFNIAX-VHEBQXMUSA-N	0	0	425.915	7.608	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1ccccc1)C(N)=C(C(=O)c1ccccc1)[C@@H]2c1ccccc1	ZINC000002151192	555749671	/nfs/dbraw/zinc/74/96/71/555749671.db2.gz	UKNIOFICYOMGDJ-RUZDIDTESA-N	0	0	448.566	5.987	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1	ZINC000002175076	555752459	/nfs/dbraw/zinc/75/24/59/555752459.db2.gz	VCUUGNMDCWTESF-GOESLVMASA-N	0	0	448.519	5.647	50	30		IKEARN
C[C@@H](NC(=O)CSc1nc2ccc(/N=C/c3ccc(F)cc3)cc2s1)c1ccccc1	ZINC000002181384	555754011	/nfs/dbraw/zinc/75/40/11/555754011.db2.gz	CUNJYZJOJJYKJT-JOBSNELWSA-N	0	0	449.576	6.156	50	30		IKEARN
CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)SC(C(C)=O)=C(C)N2c1ccccc1	ZINC000002199713	555757215	/nfs/dbraw/zinc/75/72/15/555757215.db2.gz	VBQVKXRTWMFEIQ-NRFANRHFSA-N	0	0	443.981	5.481	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)cc2Cl)Nc2ccccc2C)n1	ZINC000002241914	555761440	/nfs/dbraw/zinc/76/14/40/555761440.db2.gz	BJZMZSLYFMSXGG-UHFFFAOYSA-N	0	0	443.338	5.630	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000002242909	555761480	/nfs/dbraw/zinc/76/14/80/555761480.db2.gz	IBUCDDIHJKAJBX-OAQYLSRUSA-N	0	0	444.428	5.451	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1	ZINC000002269071	555764049	/nfs/dbraw/zinc/76/40/49/555764049.db2.gz	UXLQBWYTNXBIJY-JAIQZWGSSA-N	0	0	443.355	6.762	50	30		IKEARN
Cc1cccc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2nc(C)cc(C)n2)c1	ZINC000002268723	555764095	/nfs/dbraw/zinc/76/40/95/555764095.db2.gz	VCAYEQHYTFUKNF-UHFFFAOYSA-N	0	0	443.338	5.630	50	30		IKEARN
Cc1cc(C)nc(N=C(NC(=O)Nc2ccc(Cl)c(Cl)c2)Nc2ccccc2C)n1	ZINC000002267025	555764152	/nfs/dbraw/zinc/76/41/52/555764152.db2.gz	OVZQPZXYUJYFEX-UHFFFAOYSA-N	0	0	443.338	5.630	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Br	ZINC000002330267	555769173	/nfs/dbraw/zinc/76/91/73/555769173.db2.gz	BBKJJLUHLPKHEC-UFWORHAWSA-N	0	0	428.142	5.185	50	30		IKEARN
COc1ccc(NC(=S)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	ZINC000002531184	555786184	/nfs/dbraw/zinc/78/61/84/555786184.db2.gz	HNAOVVCCUJDMKX-ZVHZXABRSA-N	0	0	425.941	5.248	50	30		IKEARN
COc1cc(/C=N/NC(=S)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1	ZINC000002531229	555786187	/nfs/dbraw/zinc/78/61/87/555786187.db2.gz	JHYGDRPMURPOIA-ZVHZXABRSA-N	0	0	431.989	5.058	50	30		IKEARN
CC(C)(C)OC(=O)CCc1ccc(Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc1	ZINC000002561988	555787674	/nfs/dbraw/zinc/78/76/74/555787674.db2.gz	UQKBETVWHPVAEO-UHFFFAOYSA-N	0	0	437.355	6.280	50	30		IKEARN
CCCCCCCOC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc21	ZINC000002577101	555788585	/nfs/dbraw/zinc/78/85/85/555788585.db2.gz	OMTFFGPMJCAISY-UHFFFAOYSA-N	0	0	440.381	7.100	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000002727238	555803148	/nfs/dbraw/zinc/80/31/48/555803148.db2.gz	IYEJGRKWWBTDBZ-QHCPKHFHSA-N	0	0	441.999	6.210	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(-c3ccccc3)cc2)C2=C(CCCC2=O)N1	ZINC000002755325	555810798	/nfs/dbraw/zinc/81/07/98/555810798.db2.gz	NDYYYUREJCRBGO-SANMLTNESA-N	0	0	427.544	5.807	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccccc2)cc1	ZINC000002755402	555811245	/nfs/dbraw/zinc/81/12/45/555811245.db2.gz	GXWXXHPJFWRBGO-VWLOTQADSA-N	0	0	447.600	5.618	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(CC)cc1	ZINC000002757375	555811466	/nfs/dbraw/zinc/81/14/66/555811466.db2.gz	LROSTCZLJWODRG-ATIYNZHBSA-N	0	0	429.560	5.564	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1	ZINC000002757847	555811498	/nfs/dbraw/zinc/81/14/98/555811498.db2.gz	RWXTWGDPYNQHNG-SQJMNOBHSA-N	0	0	447.600	5.345	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1Br	ZINC000002757459	555811542	/nfs/dbraw/zinc/81/15/42/555811542.db2.gz	OSFRPGYLCHUTNC-IBGZPJMESA-N	0	0	432.358	5.006	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccccc1F	ZINC000002762220	555813158	/nfs/dbraw/zinc/81/31/58/555813158.db2.gz	GQGIMMCFOKBJSU-OYHNWAKOSA-N	0	0	425.525	5.202	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H]1c1ccccc1F	ZINC000002762219	555813168	/nfs/dbraw/zinc/81/31/68/555813168.db2.gz	GQGIMMCFOKBJSU-NYHFZMIOSA-N	0	0	425.525	5.202	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc2ccccc21	ZINC000002775337	555817547	/nfs/dbraw/zinc/81/75/47/555817547.db2.gz	HTRMGPQTKYBQEC-XMMPIXPASA-N	0	0	449.616	5.740	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1	ZINC000002776594	555818091	/nfs/dbraw/zinc/81/80/91/555818091.db2.gz	KCSGEJZYQBOPNT-HXUWFJFHSA-N	0	0	434.001	5.240	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccc(F)c1	ZINC000002776232	555818114	/nfs/dbraw/zinc/81/81/14/555818114.db2.gz	BJAQRJZBQYOTIL-CLOONOSVSA-N	0	0	449.522	5.149	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1	ZINC000002776593	555818132	/nfs/dbraw/zinc/81/81/32/555818132.db2.gz	KCSGEJZYQBOPNT-FQEVSTJZSA-N	0	0	434.001	5.240	50	30		IKEARN
CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1	ZINC000002788650	555821380	/nfs/dbraw/zinc/82/13/80/555821380.db2.gz	ZYTGHOYEGAMYNS-QHCPKHFHSA-N	0	0	425.544	5.696	50	30		IKEARN
C=CCNC(=O)c1csc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2F)n1	ZINC000034713653	555826953	/nfs/dbraw/zinc/82/69/53/555826953.db2.gz	ADVXBFUTHFCIMI-UHFFFAOYSA-N	0	0	437.323	5.751	50	30		IKEARN
CCOc1ccc(Br)c(/C=C2\N=C(SCc3ccccc3)SC2=O)c1	ZINC000002823499	555830445	/nfs/dbraw/zinc/83/04/45/555830445.db2.gz	MLKALOKQZRDVPS-BOPFTXTBSA-N	0	0	434.380	5.752	50	30		IKEARN
CCCCN1C2=C(C(=O)c3ccccc32)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O	ZINC000002826397	555830973	/nfs/dbraw/zinc/83/09/73/555830973.db2.gz	BCYMOPRIXVTDCA-JOCHJYFZSA-N	0	0	428.488	5.409	50	30		IKEARN
CN(C)c1ccc(/C=N/c2ccc(-c3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1	ZINC000002832095	555832025	/nfs/dbraw/zinc/83/20/25/555832025.db2.gz	LTPFCLBRAINGDI-RWRHWQIFSA-N	0	0	446.598	6.987	50	30		IKEARN
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1	ZINC000002865483	555847087	/nfs/dbraw/zinc/84/70/87/555847087.db2.gz	NBBHMJXMRLARDM-IIBYNOLFSA-N	0	0	439.342	6.363	50	30		IKEARN
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)[C@@H](C)Oc1ccccc1	ZINC000002865482	555847096	/nfs/dbraw/zinc/84/70/96/555847096.db2.gz	NBBHMJXMRLARDM-IERDGZPVSA-N	0	0	439.342	6.363	50	30		IKEARN
N#C[C@@]1(c2cc(Br)ccc2OCc2ccccc2)CCC(=O)N1c1ccccc1	ZINC000002871368	555850015	/nfs/dbraw/zinc/85/00/15/555850015.db2.gz	KZYOIJKSCMSKOW-XMMPIXPASA-N	0	0	447.332	5.574	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cccc(Br)c1	ZINC000002894308	555860270	/nfs/dbraw/zinc/86/02/70/555860270.db2.gz	MZFAGHRXVPACTI-FQEVSTJZSA-N	0	0	432.358	5.150	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1	ZINC000002927016	555863663	/nfs/dbraw/zinc/86/36/63/555863663.db2.gz	BACMQGSHIULFSS-NLFFAJNJSA-N	0	0	431.532	5.010	50	30		IKEARN
O=C1CCCC2=C1C(c1ccccc1OCc1ccc([N+](=O)[O-])cc1)C1=C(CCCC1=O)O2	ZINC000002998968	555877349	/nfs/dbraw/zinc/87/73/49/555877349.db2.gz	NAECMYYOGYWGJP-UHFFFAOYSA-N	0	0	445.471	5.302	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1	ZINC000003014376	555880338	/nfs/dbraw/zinc/88/03/38/555880338.db2.gz	UCDDJSZWJIRBHU-FQEVSTJZSA-N	0	0	446.385	5.396	50	30		IKEARN
COc1ccc(Br)cc1/C=N/c1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000003087774	555885145	/nfs/dbraw/zinc/88/51/45/555885145.db2.gz	YGQQELAQLXVNGQ-ZMOGYAJESA-N	0	0	437.362	6.793	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1OC	ZINC000003094439	555885753	/nfs/dbraw/zinc/88/57/53/555885753.db2.gz	NLLFPOVFGPSXNB-QFIPXVFZSA-N	0	0	441.568	5.041	50	30		IKEARN
O=C(NC(=O)c1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	ZINC000003119920	555889075	/nfs/dbraw/zinc/88/90/75/555889075.db2.gz	RYYAOVVVGGRASX-UHFFFAOYSA-N	0	0	444.253	5.705	50	30		IKEARN
CCCCCCC#Cc1cncc(-c2nnc(SCc3cc(F)cc(F)c3)n2C)c1	ZINC000003138225	555891184	/nfs/dbraw/zinc/89/11/84/555891184.db2.gz	SHPFNRBKTRDLCB-UHFFFAOYSA-N	0	0	426.536	5.770	50	30		IKEARN
CCCCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl	ZINC000003147791	555892042	/nfs/dbraw/zinc/89/20/42/555892042.db2.gz	SJZMFSKESUOBNN-OAHLLOKOSA-N	0	0	445.612	6.001	50	30		IKEARN
N#CC1(C#N)[C@H]2C=Cc3cc(Cl)ccc3N2[C@H](C(=O)c2ccccc2)[C@H]1c1ccccc1	ZINC000003176817	555894462	/nfs/dbraw/zinc/89/44/62/555894462.db2.gz	VMZONVWPTOGZEA-SDHSZQHLSA-N	0	0	435.914	5.624	50	30		IKEARN
COc1cc(/C=C2\S/C(=N/c3cccc(C)c3)NC2=O)ccc1OCc1cccc(C)c1	ZINC000034857106	555924579	/nfs/dbraw/zinc/92/45/79/555924579.db2.gz	FQCSLIXWCLOGMS-IWIPYMOSSA-N	0	0	444.556	5.783	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2nc3ccccc3n2Cc2ccccc2Cl)cc1OC	ZINC000034897620	555927919	/nfs/dbraw/zinc/92/79/19/555927919.db2.gz	TVHUKQMPMAEWIL-QBFSEMIESA-N	0	0	432.907	5.651	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3OC)C2)[C@H]1c1cccs1	ZINC000003639478	555942793	/nfs/dbraw/zinc/94/27/93/555942793.db2.gz	AISMWPYDQOWCRL-FYSMJZIKSA-N	0	0	437.561	5.072	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@H]1c1ccc(F)cc1	ZINC000003639567	555943109	/nfs/dbraw/zinc/94/31/09/555943109.db2.gz	XGTVBDHKQSNKBC-CJAUYULYSA-N	0	0	449.522	5.149	50	30		IKEARN
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(C)cc3C)c2-c2ccccc2)cc1	ZINC000003665943	555945053	/nfs/dbraw/zinc/94/50/53/555945053.db2.gz	QRFXJRPXECQHFE-STKMKYKTSA-N	0	0	440.590	8.487	50	30		IKEARN
CCOc1ccc2cc(/C=C/C(=O)c3c4ccccc4cc4ccccc43)c(Cl)nc2c1	ZINC000004018212	555953121	/nfs/dbraw/zinc/95/31/21/555953121.db2.gz	WLTUYJLAJXFZAF-WYMLVPIESA-N	0	0	437.926	7.489	50	30		IKEARN
Cc1cc2c(cc1C)N[C@H](c1coc3ccc(Cl)cc3c1=O)C1=C(CC(C)(C)CC1=O)N2	ZINC000004047478	555955542	/nfs/dbraw/zinc/95/55/42/555955542.db2.gz	SAMOLXWGCCRQHP-XMMPIXPASA-N	0	0	448.950	6.285	50	30		IKEARN
CCOc1ccccc1[C@@H]1Nc2ccccc2NC2=C1C(=O)C[C@@H](c1ccc(Cl)cc1)C2	ZINC000004048129	555955578	/nfs/dbraw/zinc/95/55/78/555955578.db2.gz	AHURIOZKCVUFMA-MYUZEXMDSA-N	0	0	444.962	6.718	50	30		IKEARN
CN(C)c1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004047867	555955608	/nfs/dbraw/zinc/95/56/08/555955608.db2.gz	UXBLMKHKNIFXDS-XHCCPWGMSA-N	0	0	443.978	6.386	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2	ZINC000004060362	555956185	/nfs/dbraw/zinc/95/61/85/555956185.db2.gz	NEPCHUHGUTUJFW-DFBJGRDBSA-N	0	0	431.532	5.010	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OC2CCCC2)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004061090	555956499	/nfs/dbraw/zinc/95/64/99/555956499.db2.gz	XZEHBYKROOPHBY-XMMPIXPASA-N	0	0	437.580	5.565	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004060365	555956574	/nfs/dbraw/zinc/95/65/74/555956574.db2.gz	NEPCHUHGUTUJFW-CLOONOSVSA-N	0	0	431.532	5.010	50	30		IKEARN
CCCCOc1ccccc1[C@H]1C(C(=O)OC)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004060372	555956593	/nfs/dbraw/zinc/95/65/93/555956593.db2.gz	KXTDPSFRKVEGGC-IBVKSMDESA-N	0	0	445.559	5.400	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccccc2OC)cc1	ZINC000004064908	555957082	/nfs/dbraw/zinc/95/70/82/555957082.db2.gz	MXFDBTUHCCBVNF-MYUZEXMDSA-N	0	0	426.516	5.683	50	30		IKEARN
CCn1c2ccccc2c2cc([C@H]3Nc4ccccc4NC4=C3C(=O)CC(C)(C)C4)ccc21	ZINC000004062268	555957146	/nfs/dbraw/zinc/95/71/46/555957146.db2.gz	YINWYWNTGNNZFR-MUUNZHRXSA-N	0	0	435.571	7.036	50	30		IKEARN
CCCOc1ccccc1[C@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000004064184	555957157	/nfs/dbraw/zinc/95/71/57/555957157.db2.gz	TWRWTRGHSIGDHC-VWLOTQADSA-N	0	0	431.532	5.187	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc3ccccc3c2)cc1	ZINC000004064679	555957169	/nfs/dbraw/zinc/95/71/69/555957169.db2.gz	GTAYUCKXHAMCRM-JHOBJCJYSA-N	0	0	446.550	6.828	50	30		IKEARN
CSc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004065167	555957470	/nfs/dbraw/zinc/95/74/70/555957470.db2.gz	DYIZXSBIONMLTR-HFJWLAOPSA-N	0	0	447.003	7.041	50	30		IKEARN
CCCCOc1ccccc1[C@H]1Nc2ccccc2NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000004065492	555957486	/nfs/dbraw/zinc/95/74/86/555957486.db2.gz	FEAIPHNAYUBJNB-ONOMSOESSA-N	0	0	438.571	6.845	50	30		IKEARN
CCOc1cccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)c1	ZINC000004065124	555957490	/nfs/dbraw/zinc/95/74/90/555957490.db2.gz	HFWYMXXBUFGSLR-WINIVTDRSA-N	0	0	444.962	6.718	50	30		IKEARN
CCCOc1ccccc1[C@@H]1C(C(=O)OCCc2ccccc2)=C(C)NC2=C1C(=O)CCC2	ZINC000004067210	555957747	/nfs/dbraw/zinc/95/77/47/555957747.db2.gz	AVJGPYYMGUTUTI-AREMUKBSSA-N	0	0	445.559	5.229	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000004067281	555957797	/nfs/dbraw/zinc/95/77/97/555957797.db2.gz	OUFAUOJWDOVOML-VWLOTQADSA-N	0	0	445.559	5.221	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000004077984	555958400	/nfs/dbraw/zinc/95/84/00/555958400.db2.gz	NNEXSNHINRWDGU-CPJLOUKISA-N	0	0	435.354	6.973	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1c(Cl)cccc1Cl)Nc1ccccc1N2	ZINC000004080050	555958914	/nfs/dbraw/zinc/95/89/14/555958914.db2.gz	IENZLPCPVYGBNZ-PUAOIOHZSA-N	0	0	435.354	6.973	50	30		IKEARN
CCc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)s1	ZINC000004083617	555959223	/nfs/dbraw/zinc/95/92/23/555959223.db2.gz	PZWAYNKZLXUSCB-MRDQGFSESA-N	0	0	430.573	6.299	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2	ZINC000004082961	555959257	/nfs/dbraw/zinc/95/92/57/555959257.db2.gz	ODDZZRWZCIJQFO-VVFBEHOQSA-N	0	0	442.562	7.333	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)Nc1ccccc1N2	ZINC000004082976	555959325	/nfs/dbraw/zinc/95/93/25/555959325.db2.gz	ODDZZRWZCIJQFO-OOWIMERYSA-N	0	0	442.562	7.333	50	30		IKEARN
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1	ZINC000004098966	555962216	/nfs/dbraw/zinc/96/22/16/555962216.db2.gz	QQODLKZGRKWIFG-QSFXBCCZSA-N	0	0	434.294	6.317	50	30	in-man	IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(CC)cc1	ZINC000004115232	555963712	/nfs/dbraw/zinc/96/37/12/555963712.db2.gz	RTTVSPBXTUERDY-QFIPXVFZSA-N	0	0	427.610	5.149	50	30		IKEARN
O=C(N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccco3)C2)[C@@H]1c1ccco1)C(F)(F)F	ZINC000004199802	555975611	/nfs/dbraw/zinc/97/56/11/555975611.db2.gz	WDXYBELJSVHFQV-ZSEKCTLFSA-N	0	0	442.393	5.336	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)o1	ZINC000004576314	556002223	/nfs/dbraw/zinc/00/22/23/556002223.db2.gz	YEWBUPCTTJGMFX-MWTRTKDXSA-N	0	0	425.550	5.210	50	30		IKEARN
C/C(=N/OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccccc1	ZINC000006014663	556072175	/nfs/dbraw/zinc/07/21/75/556072175.db2.gz	AKOOWZMDMWNBHZ-FSGOGVSDSA-N	0	0	435.483	5.865	50	30		IKEARN
CCN(CC)c1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000006078514	556075239	/nfs/dbraw/zinc/07/52/39/556075239.db2.gz	LWLJPUIMQDIKSN-RUZDIDTESA-N	0	0	449.639	5.149	50	30		IKEARN
CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(C)=O)cc1OC	ZINC000006078101	556075358	/nfs/dbraw/zinc/07/53/58/556075358.db2.gz	VTFLLRAXIIQIHX-AREMUKBSSA-N	0	0	448.563	5.647	50	30		IKEARN
CCOC(=O)[C@H](CC)Sc1nc(-c2ccc(OC)cc2)cc(-c2ccccc2)c1C#N	ZINC000006134513	556076795	/nfs/dbraw/zinc/07/67/95/556076795.db2.gz	CNRZJMLGILQIBC-QHCPKHFHSA-N	0	0	432.545	5.730	50	30		IKEARN
C=CCN1C(=O)[C@@H](Cc2ccccc2)S/C1=N\N=C\c1ccc(-c2ccc(Cl)cc2)o1	ZINC000006142117	556076952	/nfs/dbraw/zinc/07/69/52/556076952.db2.gz	VTVZBJAINPBAPU-NWCNHZITSA-N	0	0	449.963	5.663	50	30		IKEARN
Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000006444477	556088019	/nfs/dbraw/zinc/08/80/19/556088019.db2.gz	NRGKGSOUFUEMBN-QHCPKHFHSA-N	0	0	445.519	5.146	50	30		IKEARN
CCSC1=N/C(=C\c2cc(Br)ccc2OCc2ccccc2)C(=O)S1	ZINC000006573770	556095199	/nfs/dbraw/zinc/09/51/99/556095199.db2.gz	VQLDWEOTGXGYEB-WJDWOHSUSA-N	0	0	434.380	5.752	50	30		IKEARN
C=CCN1C(=O)C[C@@H](C(=O)Nc2ccc(Cl)cc2)S/C1=N\c1cccc(Cl)c1	ZINC000002728294	556133553	/nfs/dbraw/zinc/13/35/53/556133553.db2.gz	FGWAHUJFZHMURR-DJUDNFEDSA-N	0	0	434.348	5.140	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1C(C(F)(F)F)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1	ZINC000002732266	556134837	/nfs/dbraw/zinc/13/48/37/556134837.db2.gz	VSJPGDCKSZNWBP-OAHLLOKOSA-N	0	0	439.224	5.299	50	30		IKEARN
CCc1ccc(C(=O)C2C(C(F)(F)F)=Nc3ncnn3[C@H]2c2ccc(Cl)cc2)s1	ZINC000002806474	556142158	/nfs/dbraw/zinc/14/21/58/556142158.db2.gz	ALZDYDWECKTLBB-HNNXBMFYSA-N	0	0	438.862	5.270	50	30		IKEARN
C(=N/c1ccccc1-c1ccccc1/N=C/c1c[nH]c2ccccc12)\c1c[nH]c2ccccc12	ZINC000002842720	556147826	/nfs/dbraw/zinc/14/78/26/556147826.db2.gz	INKPLVJDBHSKHE-ZXHXELASSA-N	0	0	438.534	7.817	50	30		IKEARN
COc1ccc(/C=N/c2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)s2)c(OC)c1	ZINC000002843290	556147841	/nfs/dbraw/zinc/14/78/41/556147841.db2.gz	ZYQTWHMXXRYSCY-YSURURNPSA-N	0	0	426.847	6.250	50	30		IKEARN
Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1	ZINC000002896775	556149457	/nfs/dbraw/zinc/14/94/57/556149457.db2.gz	QLFZTTVZCORTTE-DFJXIDDLSA-N	0	0	437.724	7.326	50	30		IKEARN
C=CCc1ccccc1OCCn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21	ZINC000002954942	556150956	/nfs/dbraw/zinc/15/09/56/556150956.db2.gz	KDMBWUVJIVBDCL-JCMHNJIXSA-N	0	0	434.586	5.280	50	30		IKEARN
C=CCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1S2	ZINC000002953661	556151856	/nfs/dbraw/zinc/15/18/56/556151856.db2.gz	ALRWAECTFNLIQW-UHFFFAOYSA-N	0	0	428.557	5.531	50	30		IKEARN
CCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2cccnc2)c1	ZINC000008384115	556160064	/nfs/dbraw/zinc/16/00/64/556160064.db2.gz	HUXPANHDIQORGD-JOCHJYFZSA-N	0	0	448.544	5.101	50	30		IKEARN
Cc1sc(N=NCc2ccc(OC(=O)c3ccc(F)cc3)cc2)nc1-c1ccccc1	ZINC000008384700	556160533	/nfs/dbraw/zinc/16/05/33/556160533.db2.gz	ZZGTUTLCECXOMB-CVKSISIWSA-N	0	0	431.492	5.923	50	30		IKEARN
COc1ccc(/C(C)=N/N=c2/scc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1	ZINC000008385602	556161431	/nfs/dbraw/zinc/16/14/31/556161431.db2.gz	RBDSDDFEIBTPGD-MEESDTILSA-N	0	0	429.545	5.548	50	30		IKEARN
CCn1c2cc(C)c(C)cc2nc1/N=C/c1c2c(cc(C(C)(C)C)c1O)oc1c2CCCC1	ZINC000008387131	556162491	/nfs/dbraw/zinc/16/24/91/556162491.db2.gz	DWPZGMQPYAXYQM-WKULSOCRSA-N	0	0	443.591	7.052	50	30		IKEARN
CC(=N/OC(=O)C12CC3CC(CC(C3)C1)C2)/C(C)=N\OC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000008395908	556163080	/nfs/dbraw/zinc/16/30/80/556163080.db2.gz	DIGAZVHUSLZPCJ-USYBVIFISA-N	0	0	440.584	5.257	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000008396030	556163267	/nfs/dbraw/zinc/16/32/67/556163267.db2.gz	NAPOFXOYNJXIQX-LMTJQJACSA-N	0	0	444.556	6.216	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C\c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000008396084	556163320	/nfs/dbraw/zinc/16/33/20/556163320.db2.gz	XYYLBIODGXJWHQ-BLEOTABNSA-N	0	0	426.585	7.235	50	30		IKEARN
CSc1ccc(/C=C2\S/C(=N\c3ccccc3C)N(c3ccccc3C)C2=O)cc1	ZINC000008396338	556163595	/nfs/dbraw/zinc/16/35/95/556163595.db2.gz	OPLJQUSNFAWQNM-JTUXUYRKSA-N	0	0	430.598	6.834	50	30		IKEARN
CCCCCCCCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C	ZINC000008398559	556164738	/nfs/dbraw/zinc/16/47/38/556164738.db2.gz	IOASURKICNNIIS-UHFFFAOYSA-N	0	0	436.666	5.482	50	30		IKEARN
COc1ccc(/N=C(/N2CCCCC2)[P@](=O)(N(C(C)C)C(C)C)N2CCCCC2)cc1	ZINC000008399050	556165053	/nfs/dbraw/zinc/16/50/53/556165053.db2.gz	CVZBIJNKNBIRMM-QFOSEXNQSA-N	0	0	448.592	5.966	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)COc1ccc(C(C)(C)C)cc1	ZINC000008400083	556165592	/nfs/dbraw/zinc/16/55/92/556165592.db2.gz	GAIDUIGUDXJTBM-UHFFFAOYSA-N	0	0	431.705	7.960	50	30		IKEARN
CC[C@H](C)Oc1c(/C=C2\S/C(=N\c3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000008400448	556165852	/nfs/dbraw/zinc/16/58/52/556165852.db2.gz	LNIFIALKAWDNAG-JEOORSMKSA-N	0	0	440.565	5.123	50	30		IKEARN
COCCN1C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S/C1=N\c1ccccc1	ZINC000008400395	556165917	/nfs/dbraw/zinc/16/59/17/556165917.db2.gz	JNZDVOKXDPDMSP-CMXCFCNKSA-N	0	0	436.558	5.681	50	30		IKEARN
CCCCCCCCCCSCC(=O)OCC(=O)c1ccc(Br)cc1	ZINC000008407548	556166757	/nfs/dbraw/zinc/16/67/57/556166757.db2.gz	NVFYTCNNXSUOOS-UHFFFAOYSA-N	0	0	429.420	6.049	50	30		IKEARN
CC1=C(C(=O)Nc2nc3ccccc3s2)[C@@H](c2ccccc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000008413059	556167438	/nfs/dbraw/zinc/16/74/38/556167438.db2.gz	SUPVQWYACMXLIM-JOCHJYFZSA-N	0	0	443.572	5.539	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(Cl)c1O	ZINC000008424517	556167916	/nfs/dbraw/zinc/16/79/16/556167916.db2.gz	RNUUUNQDFWLRLC-WBUAKJRLSA-N	0	0	436.920	5.863	50	30		IKEARN
CCCOc1ccc([C@@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)CCC3)cc1	ZINC000008426805	556169331	/nfs/dbraw/zinc/16/93/31/556169331.db2.gz	VTAUTJAZIHITQQ-AREMUKBSSA-N	0	0	445.559	5.229	50	30		IKEARN
CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1	ZINC000008430428	556170249	/nfs/dbraw/zinc/17/02/49/556170249.db2.gz	OMNIURFCWDFEAJ-HFJWLAOPSA-N	0	0	430.573	6.516	50	30		IKEARN
O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1N2	ZINC000008430516	556170447	/nfs/dbraw/zinc/17/04/47/556170447.db2.gz	PNGNWPJWZXHUKW-ZAMGYDSWSA-N	0	0	441.383	7.034	50	30		IKEARN
CCCCCCCCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(=O)N(CCCC)C1=O	ZINC000008431329	556170798	/nfs/dbraw/zinc/17/07/98/556170798.db2.gz	UTFLUDCMCRNPOL-QOCHGBHMSA-N	0	0	427.589	5.087	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000008431451	556171045	/nfs/dbraw/zinc/17/10/45/556171045.db2.gz	CNNWALFBTGPNRD-VWLOTQADSA-N	0	0	447.535	5.928	50	30		IKEARN
COc1c(Cl)cc(Cl)cc1/C=N/Nc1nc(-c2cc3ccccc3oc2=O)cs1	ZINC000008432764	556172026	/nfs/dbraw/zinc/17/20/26/556172026.db2.gz	PMVJDQLSLSKLIK-NUGSKGIGSA-N	0	0	446.315	5.678	50	30		IKEARN
CCCCCCCCCCCCCCCCNC(=O)[C@]12CC[C@](C)(C(=O)C1=O)C2(C)C	ZINC000008433216	556172704	/nfs/dbraw/zinc/17/27/04/556172704.db2.gz	FWTXLNDFQLJULY-SXOMAYOGSA-N	0	0	433.677	6.548	50	30		IKEARN
CC1=CC(C)(C)NC(=S)N1c1cccc(C(=O)C=Cc2ccc(Cl)cc2Cl)c1	ZINC000008435116	556173092	/nfs/dbraw/zinc/17/30/92/556173092.db2.gz	ZVAWYBZJGZAZBX-CSKARUKUSA-N	0	0	431.388	6.266	50	30		IKEARN
N#C[C@H]1CC(c2ccc(Br)cc2)=NN1c1c(F)c(F)c(Cl)c(F)c1F	ZINC000008436872	556173330	/nfs/dbraw/zinc/17/33/30/556173330.db2.gz	YAKPJLAZXNJRPL-SECBINFHSA-N	0	0	432.602	5.165	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccc(Cl)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008437026	556173664	/nfs/dbraw/zinc/17/36/64/556173664.db2.gz	BNCCOTVXLZZPAN-PDGQHHTCSA-N	0	0	449.890	5.931	50	30		IKEARN
COc1cc(C(=O)/C(=C/c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000008437020	556173721	/nfs/dbraw/zinc/17/37/21/556173721.db2.gz	XGLXGSZNGFDZKV-UYRXBGFRSA-N	0	0	429.472	5.586	50	30		IKEARN
C=CCc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O	ZINC000008438753	556174920	/nfs/dbraw/zinc/17/49/20/556174920.db2.gz	JACQLCOQEXLMCM-TVBXNAKKSA-N	0	0	448.588	6.066	50	30		IKEARN
O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(F)c1)c1ccccc1	ZINC000008438703	556174956	/nfs/dbraw/zinc/17/49/56/556174956.db2.gz	VSLOTBYHIRQVRY-DEOSSOPVSA-N	0	0	440.474	5.128	50	30		IKEARN
COc1ccc(S(=O)(=O)/N=C2\C=C(Sc3ccc(C)cc3)C(=O)c3ccccc32)cc1	ZINC000008439128	556175282	/nfs/dbraw/zinc/17/52/82/556175282.db2.gz	QYZCSPNUINRXON-YYDJUVGSSA-N	0	0	449.553	5.054	50	30		IKEARN
Cc1cccc([C@@H]2C(C(=O)OCCOc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000008439455	556175894	/nfs/dbraw/zinc/17/58/94/556175894.db2.gz	FVDDBMFLRLHQSM-RUZDIDTESA-N	0	0	445.559	5.221	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cc(C)ccc3C)[C@H]2c2ccc(C(C)C)cc2)s1	ZINC000008440205	556176174	/nfs/dbraw/zinc/17/61/74/556176174.db2.gz	WTPSFZPLVCHCAL-OAQYLSRUSA-N	0	0	447.560	5.370	50	30		IKEARN
COc1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C2CCCCC2)cc1	ZINC000008451618	556182219	/nfs/dbraw/zinc/18/22/19/556182219.db2.gz	YQOVKDKXADMPFV-FRODBLILSA-N	0	0	436.533	5.361	50	30		IKEARN
CCN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)S/C1=N\c1ccc(C(=O)OC)cc1	ZINC000008452358	556182752	/nfs/dbraw/zinc/18/27/52/556182752.db2.gz	OBPBUAWGQFZUQD-HBAVDNSESA-N	0	0	435.332	5.404	50	30		IKEARN
O=C(NC1CCC1)ON(Cc1cccc(C(F)(F)F)c1)Cc1cccc(C(F)(F)F)c1	ZINC000008616520	556192643	/nfs/dbraw/zinc/19/26/43/556192643.db2.gz	RDURQVXEFIAGRI-UHFFFAOYSA-N	0	0	446.391	5.920	50	30		IKEARN
C=C1S/C(=N\c2cccc(OC)c2)N(C(=O)[C@H](c2ccccc2)C2CCCC2)C1(C)C	ZINC000008616826	556192909	/nfs/dbraw/zinc/19/29/09/556192909.db2.gz	RAMYAZFESKGKCS-YXTXPOHNSA-N	0	0	434.605	6.524	50	30		IKEARN
O=C1c2ccccc2C(=O)C1=C1[C@H](c2cccs2)C(c2ccccc2)=NN1c1ccccc1	ZINC000008636740	556194753	/nfs/dbraw/zinc/19/47/53/556194753.db2.gz	WMKKIFTVEITJDE-HSZRJFAPSA-N	0	0	446.531	6.090	50	30		IKEARN
O=C1CS/C(=N\N=C\c2ccccc2Cl)N1c1cc(C(F)(F)F)ccc1Cl	ZINC000008648108	556195966	/nfs/dbraw/zinc/19/59/66/556195966.db2.gz	PHRZYKPHQMOAKZ-NTZNHWLHSA-N	0	0	432.254	5.482	50	30		IKEARN
N=C(Nc1cccc(Cl)c1)SCc1ccc(/C=C/c2c(F)cccc2Cl)cc1	ZINC000008648126	556195971	/nfs/dbraw/zinc/19/59/71/556195971.db2.gz	FJRLLHIMCVPUPX-VAWYXSNFSA-N	0	0	431.363	7.183	50	30		IKEARN
COc1ccc(/C=N/NC(=S)N[C@H]2C[C@H](C)CC(C)(C)C2)cc1OCc1ccccc1	ZINC000008648731	556196226	/nfs/dbraw/zinc/19/62/26/556196226.db2.gz	JZZUWEHFCXEDNH-FRFFOONESA-N	0	0	439.625	5.287	50	30		IKEARN
O=C(C1=C(O)C(=O)N(C2CCCCC2)[C@H]1c1ccc(Br)cc1)c1ccccc1	ZINC000008715662	556201985	/nfs/dbraw/zinc/20/19/85/556201985.db2.gz	FACFRSNELMLMHL-FQEVSTJZSA-N	0	0	440.337	5.360	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000008739494	556205832	/nfs/dbraw/zinc/20/58/32/556205832.db2.gz	XSNZQLRHBCSYNV-HXUWFJFHSA-N	0	0	432.545	5.532	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000008739880	556205913	/nfs/dbraw/zinc/20/59/13/556205913.db2.gz	YLLYBCVDOLFYLA-FQEVSTJZSA-N	0	0	434.517	5.022	50	30		IKEARN
Cc1cccc(NC(=O)CC2S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c1C	ZINC000008741900	556207365	/nfs/dbraw/zinc/20/73/65/556207365.db2.gz	ZRCJIXRZXOCBDR-OZSVZHKOSA-N	0	0	429.545	5.468	50	30		IKEARN
O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000008742399	556207411	/nfs/dbraw/zinc/20/74/11/556207411.db2.gz	QWEUJZVWVIGFFA-GOSISDBHSA-N	0	0	445.327	5.228	50	30		IKEARN
O=C(/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)C(F)(F)F)c1ccccc1	ZINC000008742118	556207432	/nfs/dbraw/zinc/20/74/32/556207432.db2.gz	PPDRQVRXHGAUNP-WJDWOHSUSA-N	0	0	439.216	6.651	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000008743751	556208081	/nfs/dbraw/zinc/20/80/81/556208081.db2.gz	BYVTVBKHZVAONA-OMHSXHNCSA-N	0	0	429.903	5.831	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000008743986	556208470	/nfs/dbraw/zinc/20/84/70/556208470.db2.gz	ALZYLWKJWLFBPC-QFIPXVFZSA-N	0	0	446.503	5.072	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(C(F)(F)F)c2)c1=O	ZINC000097474804	556216700	/nfs/dbraw/zinc/21/67/00/556216700.db2.gz	XKBBATJYPCVQNT-TWGQIWQCSA-N	0	0	426.232	5.156	50	30		IKEARN
CCNc1ccc(Br)cc(C(=O)/C=C\c2cccc(Cl)c2Cl)c1=O	ZINC000097474807	556216751	/nfs/dbraw/zinc/21/67/51/556216751.db2.gz	VIYIJBDAHBFZCU-TWGQIWQCSA-N	0	0	427.125	5.444	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccccn2)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccccc1	ZINC000008837428	556226118	/nfs/dbraw/zinc/22/61/18/556226118.db2.gz	BXFAFNUBDSUWKZ-RUZDIDTESA-N	0	0	448.478	5.657	50	30		IKEARN
CCN(CC)c1ccc(/C=C(/C(=O)c2ccc(OC)cc2)c2nc3ccccc3o2)cc1	ZINC000008871990	556229953	/nfs/dbraw/zinc/22/99/53/556229953.db2.gz	QMWPTFQSFOYQBC-NKFKGCMQSA-N	0	0	426.516	6.106	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc3ccccc3c1[C@@H]2c1ccc(Br)s1	ZINC000008915864	556232436	/nfs/dbraw/zinc/23/24/36/556232436.db2.gz	VFLMLKZQKXIGEF-QFIPXVFZSA-N	0	0	438.390	6.864	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(C)[nH]c5ccccc54)c3c2C1	ZINC000008970234	556237570	/nfs/dbraw/zinc/23/75/70/556237570.db2.gz	HFPUONVHCJBZDV-UVHCEKQDSA-N	0	0	431.609	6.468	50	30		IKEARN
CCOc1ccccc1[C@H]1CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc(OC)cc1	ZINC000008974626	556237885	/nfs/dbraw/zinc/23/78/85/556237885.db2.gz	RKAPRONBLMDNBI-WHLCRQNOSA-N	0	0	440.543	6.073	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2	ZINC000008973180	556237893	/nfs/dbraw/zinc/23/78/93/556237893.db2.gz	LGCLOXHLFLSDOV-HOYKHHGWSA-N	0	0	437.926	6.035	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000009008884	556240557	/nfs/dbraw/zinc/24/05/57/556240557.db2.gz	VJTJLCNHVVRRIN-DEOSSOPVSA-N	0	0	429.476	6.077	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000009019284	556241160	/nfs/dbraw/zinc/24/11/60/556241160.db2.gz	JGSXFYJLSDWPHZ-BFFNPARHSA-N	0	0	440.455	5.086	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Cl)c2)cc1OC	ZINC000009087752	556245494	/nfs/dbraw/zinc/24/54/94/556245494.db2.gz	QFAIFCOJESFSFW-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc([N+](=O)[O-])o2)cc1	ZINC000009089758	556246170	/nfs/dbraw/zinc/24/61/70/556246170.db2.gz	VRGBYQUSAQYZMH-MYYSRTQBSA-N	0	0	431.448	5.176	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1	ZINC000009110022	556247468	/nfs/dbraw/zinc/24/74/68/556247468.db2.gz	KDWXDVAGMJZEAF-OAQYLSRUSA-N	0	0	448.316	5.540	50	30		IKEARN
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000009240500	556266395	/nfs/dbraw/zinc/26/63/95/556266395.db2.gz	SLTINVFCIDBTMO-QFIPXVFZSA-N	0	0	446.890	5.083	50	30		IKEARN
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccccc1Cl	ZINC000009261315	556268973	/nfs/dbraw/zinc/26/89/73/556268973.db2.gz	ILSDVUZNYNMNMF-FYJGNVAPSA-N	0	0	438.911	5.950	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1	ZINC000009261293	556269019	/nfs/dbraw/zinc/26/90/19/556269019.db2.gz	HEJKRQGKQJHNKF-BUVRLJJBSA-N	0	0	441.531	6.278	50	30		IKEARN
CCOc1cc(/C=N/c2ccc(Oc3ccc(OC)cc3)cc2)cc(Br)c1O	ZINC000009261627	556269301	/nfs/dbraw/zinc/26/93/01/556269301.db2.gz	RVHQNEPKYOKCAR-ZVHZXABRSA-N	0	0	442.309	6.105	50	30		IKEARN
C=CCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OC	ZINC000009262682	556269840	/nfs/dbraw/zinc/26/98/40/556269840.db2.gz	WJTZZHGBNMLVGF-FSJBWODESA-N	0	0	431.355	5.585	50	30		IKEARN
COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)C1CCCCC1	ZINC000009264185	556270460	/nfs/dbraw/zinc/27/04/60/556270460.db2.gz	GDZACYRSGQJUCA-SANMLTNESA-N	0	0	430.548	5.782	50	30		IKEARN
O=C(c1ccco1)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@@H]1c1ccco1	ZINC000009264370	556270499	/nfs/dbraw/zinc/27/04/99/556270499.db2.gz	IZHRCDYDYOIOKV-CPJLOUKISA-N	0	0	440.455	5.680	50	30		IKEARN
CCOc1cc(/C=N/c2ccc(Oc3cccc(OC)c3)nc2)cc(Br)c1O	ZINC000009265344	556270653	/nfs/dbraw/zinc/27/06/53/556270653.db2.gz	JDURTNPJEIHQEB-FSJBWODESA-N	0	0	443.297	5.500	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)ccc1OCc1ccccc1	ZINC000009311191	556279218	/nfs/dbraw/zinc/27/92/18/556279218.db2.gz	NLBJQHHYGLQKQU-IWIPYMOSSA-N	0	0	444.556	5.783	50	30		IKEARN
C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C)cc(C)c3)NC2=O)cc1Br	ZINC000009311193	556279257	/nfs/dbraw/zinc/27/92/57/556279257.db2.gz	HTWDKOKPNSLZLS-UNOMPAQXSA-N	0	0	443.366	5.522	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccc(C(=O)c3ccccc3)cc1N[C@H]2c1ccc(F)cc1	ZINC000009315375	556280497	/nfs/dbraw/zinc/28/04/97/556280497.db2.gz	QBBPTIJQORIYBA-SANMLTNESA-N	0	0	440.518	6.279	50	30		IKEARN
Brc1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1	ZINC000009327382	556281965	/nfs/dbraw/zinc/28/19/65/556281965.db2.gz	XOUQSRHXIBPNOD-BUVRLJJBSA-N	0	0	430.309	5.414	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000009331516	556282683	/nfs/dbraw/zinc/28/26/83/556282683.db2.gz	NVADBJPISFMYEC-FQEVSTJZSA-N	0	0	434.835	5.031	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)s1	ZINC000009358497	556285365	/nfs/dbraw/zinc/28/53/65/556285365.db2.gz	MPJRONGLSGYPDW-UBKPWBPPSA-N	0	0	434.171	5.247	50	30		IKEARN
O=C(/C=C/c1c(F)cccc1Cl)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000013712961	556285379	/nfs/dbraw/zinc/28/53/79/556285379.db2.gz	VFQDPWUHNVOCHI-ZRDIBKRKSA-N	0	0	438.285	6.537	50	30		IKEARN
O=C(c1ccccc1)C1C(=O)C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Br)cc1	ZINC000009370625	556286140	/nfs/dbraw/zinc/28/61/40/556286140.db2.gz	RVFGCCQXPBNYMV-OAQYLSRUSA-N	0	0	448.316	5.228	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc(C(=O)c4ccccc4)cc3NC3=C2C(=O)CCC3)ccc1O	ZINC000009434050	556291589	/nfs/dbraw/zinc/29/15/89/556291589.db2.gz	SQEHLXZIOVCQDW-SANMLTNESA-N	0	0	440.499	5.218	50	30		IKEARN
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009472363	556293489	/nfs/dbraw/zinc/29/34/89/556293489.db2.gz	NAAMDRMAMWKSHD-HSZRJFAPSA-N	0	0	449.478	5.294	50	30		IKEARN
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cnn(C)c1C	ZINC000009482475	556294183	/nfs/dbraw/zinc/29/41/83/556294183.db2.gz	YBSFSPPJDDCCAC-RUZDIDTESA-N	0	0	434.584	5.452	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3cccnc3N(C(=O)Nc3ccccc3)[C@@H]2c2ccccc2)C1	ZINC000009482800	556294222	/nfs/dbraw/zinc/29/42/22/556294222.db2.gz	XTWVDJOJCIAWDK-XMMPIXPASA-N	0	0	438.531	5.930	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2[C@H]1CC=CCC1	ZINC000009483177	556294288	/nfs/dbraw/zinc/29/42/88/556294288.db2.gz	SBXTZUYFCSRDJV-DCFHFQCYSA-N	0	0	447.623	5.299	50	30		IKEARN
CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)Nc1ccccc1Cl	ZINC000009504839	556295834	/nfs/dbraw/zinc/29/58/34/556295834.db2.gz	VFAGDEBNSOPEPN-FQEVSTJZSA-N	0	0	437.971	5.632	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3ccc(F)cc3)C2)cc1	ZINC000009546506	556297394	/nfs/dbraw/zinc/29/73/94/556297394.db2.gz	JBTUOHMTNWAOJK-HFJWLAOPSA-N	0	0	439.490	5.600	50	30		IKEARN
O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccccc3F)C12	ZINC000009546528	556297686	/nfs/dbraw/zinc/29/76/86/556297686.db2.gz	ASXJGZULURUIJB-LMKMVOKYSA-N	0	0	443.909	6.245	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O	ZINC000013750688	556299007	/nfs/dbraw/zinc/29/90/07/556299007.db2.gz	CFTVGFJHCXEYDF-MLKPGFSBSA-N	0	0	445.588	5.873	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2cccc3ccccc23)N(Cc2ccc(OC)cc2)C1=O	ZINC000013750690	556299036	/nfs/dbraw/zinc/29/90/36/556299036.db2.gz	CFTVGFJHCXEYDF-UVQVWFEYSA-N	0	0	445.588	5.873	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cccc(Cl)c2Cl)cc1OC	ZINC000009560024	556299154	/nfs/dbraw/zinc/29/91/54/556299154.db2.gz	XNQSIZHVUSNFFG-DZGCQCFKSA-N	0	0	446.330	5.015	50	30		IKEARN
CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2Cl)C3)cc(Cl)c1O	ZINC000009560080	556299480	/nfs/dbraw/zinc/29/94/80/556299480.db2.gz	YDFSVUSOZNKRKV-DZGCQCFKSA-N	0	0	446.330	5.102	50	30		IKEARN
CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2Cl)C3)cc(Cl)c1O	ZINC000009560078	556299490	/nfs/dbraw/zinc/29/94/90/556299490.db2.gz	YDFSVUSOZNKRKV-UKRRQHHQSA-N	0	0	446.330	5.102	50	30		IKEARN
O=C1C[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3Cl)CC2=O)N1	ZINC000009560032	556299518	/nfs/dbraw/zinc/29/95/18/556299518.db2.gz	ZUWADTXKBCRFAB-XJKSGUPXSA-N	0	0	430.729	5.107	50	30		IKEARN
CSc1ccc(/C=N/N2C(=S)SC(C)(C)[C@H]2N(O)C(=O)Nc2ccccc2)cc1	ZINC000013756999	556300793	/nfs/dbraw/zinc/30/07/93/556300793.db2.gz	OVIZWAHKNZVBBT-VYVDHXHBSA-N	0	0	446.623	5.104	50	30		IKEARN
Cc1cc(C)c(/N=C/c2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)c(C)c1	ZINC000013756747	556300801	/nfs/dbraw/zinc/30/08/01/556300801.db2.gz	LMNYAEDMGOPRQL-GQCRFCPSSA-N	0	0	443.594	7.718	50	30		IKEARN
Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1	ZINC000013757033	556300821	/nfs/dbraw/zinc/30/08/21/556300821.db2.gz	KFLRDOVYKKZXMY-ZMOGYAJESA-N	0	0	437.728	6.159	50	30		IKEARN
CCCOc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2ccc(C)cc2)C3)cc1	ZINC000009678759	556305933	/nfs/dbraw/zinc/30/59/33/556305933.db2.gz	VUZDVWRSUQXVCN-PZGXJGMVSA-N	0	0	438.571	6.763	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(F)cc3)C(C#N)(C#N)[C@H]3C=Cc4ccccc4N32)cc1	ZINC000009761098	556308221	/nfs/dbraw/zinc/30/82/21/556308221.db2.gz	YBFSTPPEBNMJNU-CYXNTTPDSA-N	0	0	433.486	5.418	50	30		IKEARN
Cc1ccc(/N=C/c2c(OC(=O)c3ccc(Cl)cc3Cl)ccc3ccccc32)cc1	ZINC000003073128	556308498	/nfs/dbraw/zinc/30/84/98/556308498.db2.gz	VXFPMAXBOPZQSN-RWPZCVJISA-N	0	0	434.322	7.425	50	30		IKEARN
Cc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccccc2OC(C)C)cc1	ZINC000009805264	556308957	/nfs/dbraw/zinc/30/89/57/556308957.db2.gz	DLMCFGIKAGDIIT-ONOMSOESSA-N	0	0	438.571	6.762	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)c1	ZINC000009845858	556313075	/nfs/dbraw/zinc/31/30/75/556313075.db2.gz	RREZBSKKLMEWGZ-UCQKPKSFSA-N	0	0	432.520	5.913	50	30		IKEARN
COc1ccc(Br)cc1[C@@H]1Nc2ccc3ncccc3c2C2=C1C(=O)CCC2	ZINC000009861053	556314334	/nfs/dbraw/zinc/31/43/34/556314334.db2.gz	IOJWAUVDOMDKPJ-QHCPKHFHSA-N	0	0	435.321	5.679	50	30		IKEARN
O=C(c1ccccc1)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	ZINC000009861332	556314617	/nfs/dbraw/zinc/31/46/17/556314617.db2.gz	UENBBEOHPDSUAO-VWLOTQADSA-N	0	0	428.919	6.161	50	30		IKEARN
CN(C)c1ccc([C@H]2C3C(=O)CCCC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000009861331	556314642	/nfs/dbraw/zinc/31/46/42/556314642.db2.gz	DVWAKHSJMLPFLW-MHZLTWQESA-N	0	0	437.543	5.573	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	ZINC000009861334	556314957	/nfs/dbraw/zinc/31/49/57/556314957.db2.gz	LYAHDSCFKXKAOR-QFIPXVFZSA-N	0	0	429.347	6.156	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000009861337	556315034	/nfs/dbraw/zinc/31/50/34/556315034.db2.gz	CXRNYWZRPIVGDD-JOCHJYFZSA-N	0	0	429.347	6.156	50	30		IKEARN
Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4ccc(F)cc4)cc3)n2)cc1	ZINC000009925847	556316578	/nfs/dbraw/zinc/31/65/78/556316578.db2.gz	JWJOFZQLCLLPQF-VULFUBBASA-N	0	0	431.492	5.923	50	30		IKEARN
COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)c2ccccc2)c(OC)c1	ZINC000013838853	556317226	/nfs/dbraw/zinc/31/72/26/556317226.db2.gz	UUXGPJGDKDEHSK-DEOSSOPVSA-N	0	0	425.488	5.334	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1cccc(F)c1)c1ccccc1	ZINC000009993315	556320215	/nfs/dbraw/zinc/32/02/15/556320215.db2.gz	BUVYCAUITHXWQB-HXUWFJFHSA-N	0	0	430.460	5.218	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccccc3s2)cc1	ZINC000009993296	556320247	/nfs/dbraw/zinc/32/02/47/556320247.db2.gz	CZOXHFHTSMQAGM-OAQYLSRUSA-N	0	0	442.496	5.088	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013728	556322404	/nfs/dbraw/zinc/32/24/04/556322404.db2.gz	AKJOCDSTXIQCNT-XMMPIXPASA-N	0	0	447.554	5.134	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2S[C@@H]3c2ccc(Cl)cc2)cc1	ZINC000010035302	556323099	/nfs/dbraw/zinc/32/30/99/556323099.db2.gz	XUAGXEOBLFQHEV-WXTAPIANSA-N	0	0	447.987	7.008	50	30		IKEARN
COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1	ZINC000010035313	556323119	/nfs/dbraw/zinc/32/31/19/556323119.db2.gz	KQYMAEBHQWVZEK-XRHLQHRESA-N	0	0	438.527	5.762	50	30		IKEARN
O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1	ZINC000013880452	556325918	/nfs/dbraw/zinc/32/59/18/556325918.db2.gz	SFABHDSECDMFNS-LPYMAVHISA-N	0	0	426.270	5.382	50	30		IKEARN
COc1ccc(CN=Nc2nc(C(F)(F)F)c(-c3ccc(F)cc3)s2)cc1OC	ZINC000013881976	556326579	/nfs/dbraw/zinc/32/65/79/556326579.db2.gz	YTYRJYOMLKEXSL-YSURURNPSA-N	0	0	425.407	5.431	50	30		IKEARN
C/C(=N\OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(C)cc1	ZINC000013943725	556341051	/nfs/dbraw/zinc/34/10/51/556341051.db2.gz	BHUNOURHCFITPO-AJBULDERSA-N	0	0	449.510	6.173	50	30		IKEARN
Cc1cc(OCc2ccccc2)c(C(=O)/C=C/c2csc(-c3ccccc3)n2)cc1C	ZINC000011617257	556342864	/nfs/dbraw/zinc/34/28/64/556342864.db2.gz	CSDZDOUGIQDPIS-BUHFOSPRSA-N	0	0	425.553	6.902	50	30		IKEARN
C=CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)cc1Br	ZINC000014008619	556353713	/nfs/dbraw/zinc/35/37/13/556353713.db2.gz	HIUSDHPZIPAHDY-GZTJUZNOSA-N	0	0	433.302	5.045	50	30		IKEARN
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1	ZINC000014176820	556381942	/nfs/dbraw/zinc/38/19/42/556381942.db2.gz	ICDMLAQPOAVWNH-JRUKXMRZSA-N	0	0	431.661	6.449	50	30	in-vitro	IKEARN
Cc1nc2ccccc2c(-c2ccc(Cl)cc2)c1C(=O)/C=C/c1ccc2c(c1)OCO2	ZINC000071924247	556403730	/nfs/dbraw/zinc/40/37/30/556403730.db2.gz	JEEMAYIDKRNHOD-WUXMJOGZSA-N	0	0	427.887	6.488	50	30		IKEARN
COc1ccc(CNc2oc(-c3ccc(OCc4ccccc4Cl)cc3)nc2C#N)cc1	ZINC000032594173	556407428	/nfs/dbraw/zinc/40/74/28/556407428.db2.gz	NSJXUGUPRDCPGR-UHFFFAOYSA-N	0	0	445.906	6.066	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)C(=O)CC[C@H]5[C@@H]4CC[C@H]3C2)cc1	ZINC000012659136	556409112	/nfs/dbraw/zinc/40/91/12/556409112.db2.gz	HNTMKSKJRZRWKS-MXXJNVRFSA-N	0	0	444.637	5.681	50	30	biogenic	IKEARN
Cc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2SCc2ccccc2)cc1	ZINC000032828842	556413271	/nfs/dbraw/zinc/41/32/71/556413271.db2.gz	JFJZDFCBSSSARC-JOCHJYFZSA-N	0	0	445.569	5.269	50	30		IKEARN
Cc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2Sc2ccccc2)cc1	ZINC000032828685	556413282	/nfs/dbraw/zinc/41/32/82/556413282.db2.gz	WCNUAQCIHVQXMH-NRFANRHFSA-N	0	0	431.542	5.128	50	30		IKEARN
COC(Cn1c(-c2ccccc2)cc(C2C(=O)CC(C)(C)CC2=O)c1-c1ccccc1)OC	ZINC000004391211	556414744	/nfs/dbraw/zinc/41/47/44/556414744.db2.gz	QBVQMLPXEWDNAL-UHFFFAOYSA-N	0	0	445.559	6.099	50	30		IKEARN
CC(=O)c1cc(C#N)c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1C	ZINC000032672381	556415080	/nfs/dbraw/zinc/41/50/80/556415080.db2.gz	VHDVBCIALQYSMX-UHFFFAOYSA-N	0	0	431.542	5.386	50	30		IKEARN
CC(C)CC(=O)c1c(O)cc2c(c1O)[C@@H](CC(C)C)C1=C(O2)C(C)(C)C(=O)C(C)(C)C1=O	ZINC000014686651	556432628	/nfs/dbraw/zinc/43/26/28/556432628.db2.gz	TYDBFNAOFZIICW-CQSZACIVSA-N	0	0	442.552	5.307	50	30	biogenic,in-vitro	IKEARN
C=CCN1C(=O)c2ccccc2N[C@H]1c1csc(N(C(C)=O)c2cccc(Cl)c2)n1	ZINC000011034543	556460554	/nfs/dbraw/zinc/46/05/54/556460554.db2.gz	JECGPSBXGNOQLY-HXUWFJFHSA-N	0	0	438.940	5.234	50	30		IKEARN
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)o1	ZINC000013108366	556462026	/nfs/dbraw/zinc/46/20/26/556462026.db2.gz	IOULCBCYJNRBJR-AFUMVMLFSA-N	0	0	426.432	6.130	50	30		IKEARN
CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCC(c2nc(-c3ccncc3)cs2)CC1	ZINC000072289151	556483561	/nfs/dbraw/zinc/48/35/61/556483561.db2.gz	FAIVCJWTXBRNMK-UHFFFAOYSA-N	0	0	434.569	5.045	50	30		IKEARN
CCCCN1c2ccccc2C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)C1=O	ZINC000015015695	556484771	/nfs/dbraw/zinc/48/47/71/556484771.db2.gz	FGSBTRALSWEUPG-HNENSFHCSA-N	0	0	425.941	5.897	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1	ZINC000015016031	556485576	/nfs/dbraw/zinc/48/55/76/556485576.db2.gz	IPHUNEJHSDOCJV-HMAPJEAMSA-N	0	0	434.492	5.305	50	30		IKEARN
O=C1SC(SCc2ccccc2)=N/C1=C\c1cc2c(cc1Br)OCO2	ZINC000015016492	556485833	/nfs/dbraw/zinc/48/58/33/556485833.db2.gz	NFIXVZHXHDRPSR-NSIKDUERSA-N	0	0	434.336	5.082	50	30		IKEARN
CC(C)(C)c1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)cc(C(C)(C)C)c1O	ZINC000015018783	556487132	/nfs/dbraw/zinc/48/71/32/556487132.db2.gz	KTZKVPDRQPXAFF-UVHMKAGCSA-N	0	0	437.609	5.520	50	30		IKEARN
O=C(CC1SC(=Nc2ccccc2)N(c2ccccc2)C1=O)c1ccc2c(c1)CCCC2	ZINC000015054366	556490177	/nfs/dbraw/zinc/49/01/77/556490177.db2.gz	BJKOPLOZQDQIOT-KQWPUEFFSA-N	0	0	440.568	5.975	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(OC)cc3OC)n2)cc1	ZINC000030721860	556502660	/nfs/dbraw/zinc/50/26/60/556502660.db2.gz	VBAADFORZVGCOC-PKAZHMFMSA-N	0	0	440.503	5.282	50	30		IKEARN
COc1cc(C(=O)N(C)c2cccc(C#N)c2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000060083868	556511820	/nfs/dbraw/zinc/51/18/20/556511820.db2.gz	BRTVSWJQDFKVEW-UHFFFAOYSA-N	0	0	437.839	5.197	50	30		IKEARN
Cc1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Br)c1	ZINC000015224808	556512158	/nfs/dbraw/zinc/51/21/58/556512158.db2.gz	SKBCPUQGFCYFRK-BUVRLJJBSA-N	0	0	425.326	5.605	50	30		IKEARN
Cc1cc(/N=C/c2cccn2-c2ccc(N(C)C)cc2)ccc1I	ZINC000015226988	556512406	/nfs/dbraw/zinc/51/24/06/556512406.db2.gz	ADXKROZPYUNPKI-HYARGMPZSA-N	0	0	429.305	5.207	50	30		IKEARN
O=C(COc1ccc(C=Nc2ccc(Cl)cc2)cc1)c1ccc(-c2ccccc2)cc1	ZINC000003082769	556518618	/nfs/dbraw/zinc/51/86/18/556518618.db2.gz	PPDLNYBVGMZYMO-RDRPBHBLSA-N	0	0	425.915	7.019	50	30		IKEARN
Brc1ccc(COc2ccc(/C=N/c3ccc(Br)cc3)cc2)cc1	ZINC000003084244	556518643	/nfs/dbraw/zinc/51/86/43/556518643.db2.gz	GBAWOZDVGNYAMC-YDZHTSKRSA-N	0	0	445.154	6.541	50	30		IKEARN
Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc3ccccc32)c1	ZINC000003089442	556519141	/nfs/dbraw/zinc/51/91/41/556519141.db2.gz	TXNFZBHCIPYLBO-PCLIKHOPSA-N	0	0	446.484	5.575	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1[N+](=O)[O-])c1cccc2ccccc21	ZINC000003089365	556519203	/nfs/dbraw/zinc/51/92/03/556519203.db2.gz	ZJASIJBNDWBNHN-CVKSISIWSA-N	0	0	430.847	6.371	50	30		IKEARN
Cc1cc2nc(-c3cccc(/N=C/c4cc(C)c(C)c(Br)c4O)c3)oc2cc1C	ZINC000003092450	556519964	/nfs/dbraw/zinc/51/99/64/556519964.db2.gz	NSPQJTVQBFTWKQ-RPPGKUMJSA-N	0	0	449.348	6.947	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N/c2ccccc2)N1C1CCCCC1	ZINC000032124775	556533637	/nfs/dbraw/zinc/53/36/37/556533637.db2.gz	WHAQREIOMFWERS-YMERHICUSA-N	0	0	431.388	6.930	50	30		IKEARN
Cc1ccccc1N1C(=O)C(=O)C(=C(O)C=Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000015769110	556549818	/nfs/dbraw/zinc/54/98/18/556549818.db2.gz	JTKVWSABDAHHAV-JOPVOSQUSA-N	0	0	440.455	5.086	50	30		IKEARN
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)c2cccs2)cc1	ZINC000015826265	556554182	/nfs/dbraw/zinc/55/41/82/556554182.db2.gz	MTMYSPZMMJHIKN-VWLOTQADSA-N	0	0	442.584	6.513	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc2c1CCCC2	ZINC000015838265	556555951	/nfs/dbraw/zinc/55/59/51/556555951.db2.gz	GQHRHOAUUBAVOU-OAQYLSRUSA-N	0	0	428.513	5.205	50	30		IKEARN
N#Cc1c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc2c1CCCC2	ZINC000015838267	556555982	/nfs/dbraw/zinc/55/59/82/556555982.db2.gz	GQHRHOAUUBAVOU-NRFANRHFSA-N	0	0	428.513	5.205	50	30		IKEARN
COc1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1	ZINC000033349572	556562642	/nfs/dbraw/zinc/56/26/42/556562642.db2.gz	SSOHTJSQYFYSSO-CFEZCKOSSA-N	0	0	428.557	5.850	50	30		IKEARN
Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c12	ZINC000032908480	556564887	/nfs/dbraw/zinc/56/48/87/556564887.db2.gz	QUJZWTCDCORJQK-UHFFFAOYSA-N	0	0	430.467	5.245	50	30		IKEARN
CCCCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(C)c(Cl)c1	ZINC000015945264	556566661	/nfs/dbraw/zinc/56/66/61/556566661.db2.gz	ZHCNZOBNBHQEMC-YJOHERITSA-N	0	0	444.025	6.423	50	30		IKEARN
COc1cccc(C=NNc2ccc([N+](=O)[O-])cc2)c1OCCCOc1c(C)cccc1C	ZINC000015945294	556566842	/nfs/dbraw/zinc/56/68/42/556566842.db2.gz	BSOYIPLJNAWQJA-YZSQISJMSA-N	0	0	449.507	5.514	50	30		IKEARN
COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2C)CCCC3)c1	ZINC000015946413	556567356	/nfs/dbraw/zinc/56/73/56/556567356.db2.gz	ZEHBNMXXDGSGBR-JFLMPSFJSA-N	0	0	448.588	6.264	50	30		IKEARN
CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1	ZINC000015986355	556571191	/nfs/dbraw/zinc/57/11/91/556571191.db2.gz	LIWPNFVMJZMRDJ-HPNDGRJYSA-N	0	0	447.951	5.694	50	30		IKEARN
N#CC1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)c2ccccc2)[C@@H]2C=Cc3ccccc3N21	ZINC000016000594	556572877	/nfs/dbraw/zinc/57/28/77/556572877.db2.gz	GALYBOBKSUAVHA-GVAUOCQISA-N	0	0	435.914	5.624	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@H](C1CCCCC1)Cc1ccccc1-2	ZINC000002468789	556575027	/nfs/dbraw/zinc/57/50/27/556575027.db2.gz	KWQLHHKEKMZWLM-XMMPIXPASA-N	0	0	442.628	6.457	50	30		IKEARN
N#CC1(C#N)[C@H](c2ccsc2)[C@H](C(=O)c2ccc(Cl)cc2)N2c3ccccc3C=C[C@H]21	ZINC000016034417	556577380	/nfs/dbraw/zinc/57/73/80/556577380.db2.gz	ISXHHSLHOQHZBA-YTFSRNRJSA-N	0	0	441.943	5.686	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(C)cc2C)N(Cc2cccc3ccccc32)C1=O	ZINC000034807855	556582926	/nfs/dbraw/zinc/58/29/26/556582926.db2.gz	LEHKLFXCYIZPJE-WWFKBGPPSA-N	0	0	443.616	6.481	50	30		IKEARN
N#CCCN(C(=O)CN1CCc2sccc2[C@@H]1c1cccs1)c1cccc(Cl)c1	ZINC000034863264	556584291	/nfs/dbraw/zinc/58/42/91/556584291.db2.gz	YVSKWZKULORQIX-JOCHJYFZSA-N	0	0	442.009	5.357	50	30		IKEARN
Fc1c(F)c(F)c(N=NCc2cccc(OCc3cccc4ccccc43)c2)c(F)c1F	ZINC000016185337	556587681	/nfs/dbraw/zinc/58/76/81/556587681.db2.gz	GIFGRDQITJPSOR-PNQUVVCRSA-N	0	0	442.387	6.560	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2cc(C)cc(C)c2)c1C	ZINC000032971561	556589294	/nfs/dbraw/zinc/58/92/94/556589294.db2.gz	RBXUVCMJECLBLD-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(Cl)cc2)Nc2ccc(C)cc2C)c1C	ZINC000032971554	556589297	/nfs/dbraw/zinc/58/92/97/556589297.db2.gz	HJWDVOFZQCHLRJ-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2F)c1C	ZINC000032971649	556589649	/nfs/dbraw/zinc/58/96/49/556589649.db2.gz	QJBXAUNYBRJURX-UHFFFAOYSA-N	0	0	449.574	5.355	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(F)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032972094	556589810	/nfs/dbraw/zinc/58/98/10/556589810.db2.gz	OORBSUBCGQICRZ-UHFFFAOYSA-N	0	0	435.547	5.180	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C	ZINC000032972048	556589853	/nfs/dbraw/zinc/58/98/53/556589853.db2.gz	GRGDULUBEQWWOF-UHFFFAOYSA-N	0	0	431.584	5.152	50	30		IKEARN
CCn1nc(C)c(CNC(=NC(=O)c2cccc(C)c2)Nc2cccc(Cl)c2C)c1C	ZINC000032971877	556590295	/nfs/dbraw/zinc/59/02/95/556590295.db2.gz	SDBRFRUGUNTVOX-UHFFFAOYSA-N	0	0	437.975	5.188	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2ccc(C(C)(C)C)cc2)NCc2c(C)nn(C)c2C)c1	ZINC000032972322	556590761	/nfs/dbraw/zinc/59/07/61/556590761.db2.gz	SWTXPKTXFADOEO-UHFFFAOYSA-N	0	0	445.611	5.295	50	30		IKEARN
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)Nc1ccccc1N2	ZINC000016213205	556591163	/nfs/dbraw/zinc/59/11/63/556591163.db2.gz	AWIYDOPOGWXPKE-SSOJOUAXSA-N	0	0	429.451	5.713	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccccc2C)c(C)n1	ZINC000032972792	556591711	/nfs/dbraw/zinc/59/17/11/556591711.db2.gz	VWLDXQOXYHZYKU-UHFFFAOYSA-N	0	0	445.611	5.606	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(Cl)c2)Nc2ccc(C)cc2C)c(C)n1	ZINC000032972855	556591729	/nfs/dbraw/zinc/59/17/29/556591729.db2.gz	PJHCRTYBQMYYGX-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccc(C(C)(C)C)cc2)Nc2cccc(F)c2)c(C)n1	ZINC000032973036	556591953	/nfs/dbraw/zinc/59/19/53/556591953.db2.gz	RFERGAGNIXMXOR-UHFFFAOYSA-N	0	0	449.574	5.436	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2ccccc2F)Nc2ccc(C(C)C)cc2)c(C)n1	ZINC000032972917	556592650	/nfs/dbraw/zinc/59/26/50/556592650.db2.gz	ZDUOGVJYVXVIMD-UHFFFAOYSA-N	0	0	435.547	5.262	50	30		IKEARN
CCCn1cc(CNC(=NC(=O)c2cccc(C)c2)Nc2ccc(Cl)cc2C)c(C)n1	ZINC000032973119	556593107	/nfs/dbraw/zinc/59/31/07/556593107.db2.gz	CTXKQRIZYKGSAQ-UHFFFAOYSA-N	0	0	437.975	5.270	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cccc(C)c2)Nc2ccc(C(C)C)cc2)c1C	ZINC000032973283	556593638	/nfs/dbraw/zinc/59/36/38/556593638.db2.gz	QKDJSZVWBXGXQM-UHFFFAOYSA-N	0	0	445.611	5.392	50	30		IKEARN
CCn1nc(C)c(CCNC(=NC(=O)c2cc(C)cc(C)c2)Nc2cccc(C)c2C)c1C	ZINC000032973384	556593798	/nfs/dbraw/zinc/59/37/98/556593798.db2.gz	LZFICVUBBBLQOV-UHFFFAOYSA-N	0	0	445.611	5.194	50	30		IKEARN
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)C2=C(CCCC2=O)N1	ZINC000016294250	556598903	/nfs/dbraw/zinc/59/89/03/556598903.db2.gz	VQXJVTIPWUYNDX-OAQYLSRUSA-N	0	0	445.321	5.739	50	30		IKEARN
CCCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)C1=C(CCCC1=O)N2	ZINC000016346453	556601415	/nfs/dbraw/zinc/60/14/15/556601415.db2.gz	RJDAKOJTSQFYTN-AWEZNQCLSA-N	0	0	436.364	5.143	50	30		IKEARN
O=C(c1ccccc1)C1=CN(c2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O	ZINC000032984136	556603268	/nfs/dbraw/zinc/60/32/68/556603268.db2.gz	MIYZWLIMIQPWSU-UHFFFAOYSA-N	0	0	429.419	5.355	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3ccccc3S2(=O)=O)cc1	ZINC000032984214	556603456	/nfs/dbraw/zinc/60/34/56/556603456.db2.gz	NCINNRWJFCUKIU-UHFFFAOYSA-N	0	0	439.920	5.307	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2ccc(F)c(F)c2)c2ccccc2S1(=O)=O	ZINC000032984242	556603688	/nfs/dbraw/zinc/60/36/88/556603688.db2.gz	ZASNIKYWZLWMEK-UHFFFAOYSA-N	0	0	431.847	5.268	50	30		IKEARN
CCOc1ccc(C(=O)C2=CN(c3ccc(C)cc3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984440	556603869	/nfs/dbraw/zinc/60/38/69/556603869.db2.gz	WCLRGTHQYOIMOV-UHFFFAOYSA-N	0	0	437.492	5.183	50	30		IKEARN
Cc1ccc(C(=O)C2=CN(c3ccc(N(C)C)cc3)c3ccccc3S2(=O)=O)c(C)c1	ZINC000032984265	556604030	/nfs/dbraw/zinc/60/40/30/556604030.db2.gz	JNIWGBMVCIAOMZ-UHFFFAOYSA-N	0	0	432.545	5.019	50	30		IKEARN
Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984384	556604219	/nfs/dbraw/zinc/60/42/19/556604219.db2.gz	SLKJGSXWVOPTCM-UHFFFAOYSA-N	0	0	427.884	5.437	50	30		IKEARN
N#Cc1cccc(N2C=C(C(=O)c3ccc(Cl)cc3)S(=O)(=O)c3ccc(F)cc32)c1	ZINC000032984399	556604258	/nfs/dbraw/zinc/60/42/58/556604258.db2.gz	DWMDGFJNEUAEOW-UHFFFAOYSA-N	0	0	438.867	5.000	50	30		IKEARN
COc1ccc(C(=O)C2=CN(c3cccc(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1	ZINC000032984382	556604302	/nfs/dbraw/zinc/60/43/02/556604302.db2.gz	BUZJYTWCIONZDE-UHFFFAOYSA-N	0	0	443.883	5.137	50	30		IKEARN
CCc1ccc(N2C=C(C(=O)c3ccc(OC)cc3)S(=O)(=O)c3ccc(F)cc32)cc1	ZINC000032984367	556604355	/nfs/dbraw/zinc/60/43/55/556604355.db2.gz	XZQYERKAMQHPME-UHFFFAOYSA-N	0	0	437.492	5.046	50	30		IKEARN
COc1ccc([C@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(F)cc2)C3)c(OC)c1	ZINC000016426537	556606819	/nfs/dbraw/zinc/60/68/19/556606819.db2.gz	WXNCEAQGONUWPI-XGCWNURASA-N	0	0	444.506	5.822	50	30		IKEARN
O=C1C[C@@H](c2ccc(F)cc2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1ccccc1N2	ZINC000016447541	556608029	/nfs/dbraw/zinc/60/80/29/556608029.db2.gz	JEOYTJHJEPVVGE-MRDQGFSESA-N	0	0	428.463	5.534	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2	ZINC000032997448	556609250	/nfs/dbraw/zinc/60/92/50/556609250.db2.gz	GXRPNNSVTOAIQF-HSZRJFAPSA-N	0	0	445.548	5.055	50	30		IKEARN
CCCCSc1nnc2c(n1)O[C@@H](c1ccc(C#N)cc1)N(C(C)=O)c1ccc(C)cc1-2	ZINC000032997447	556609282	/nfs/dbraw/zinc/60/92/82/556609282.db2.gz	GXRPNNSVTOAIQF-QHCPKHFHSA-N	0	0	445.548	5.055	50	30		IKEARN
Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccccc1OCc1ccccc1	ZINC000016480745	556611441	/nfs/dbraw/zinc/61/14/41/556611441.db2.gz	FHIZGPPMNQEYQC-VYVUJPJFSA-N	0	0	442.334	6.287	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)cc1	ZINC000032915568	556612780	/nfs/dbraw/zinc/61/27/80/556612780.db2.gz	WCVYHNNXXYCRPL-UHFFFAOYSA-N	0	0	436.240	5.520	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccc(Br)cc3)n2)cc1	ZINC000016513027	556613269	/nfs/dbraw/zinc/61/32/69/556613269.db2.gz	MGJMVMJSEKKDSH-WGOQTCKBSA-N	0	0	443.348	6.328	50	30		IKEARN
C(=N/c1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)\c1ccccc1	ZINC000016671652	556621545	/nfs/dbraw/zinc/62/15/45/556621545.db2.gz	NJYHHTCFAHCIPJ-YKOFJRSYSA-N	0	0	428.579	7.315	50	30		IKEARN
Cc1ccc(C(=O)/C=C/c2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1	ZINC000016667374	556621661	/nfs/dbraw/zinc/62/16/61/556621661.db2.gz	AXWIXMAJZRTHCP-UKWOOVPBSA-N	0	0	442.562	7.247	50	30		IKEARN
Cc1c(O)ccc(CN=Nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)n2)c1O	ZINC000016677640	556622701	/nfs/dbraw/zinc/62/27/01/556622701.db2.gz	HWGMWZXLILYNJA-VULFUBBASA-N	0	0	430.895	5.630	50	30		IKEARN
CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC	ZINC000016677395	556622709	/nfs/dbraw/zinc/62/27/09/556622709.db2.gz	QOODNLLNLFMICV-DZNDYGJHSA-N	0	0	444.556	6.293	50	30		IKEARN
CCCCCCCCOc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)cc1	ZINC000100606128	556630505	/nfs/dbraw/zinc/63/05/05/556630505.db2.gz	HYOOUGKYJPIKNY-HSZRJFAPSA-N	0	0	429.604	7.584	50	30		IKEARN
O=C1/C(=C/c2ccc(Br)cc2)S/C(=N\c2ccccc2)N1Cc1ccccc1	ZINC000033751445	556630538	/nfs/dbraw/zinc/63/05/38/556630538.db2.gz	NFCGDKANQDHJRW-YVADOFBFSA-N	0	0	449.373	6.253	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)C)cc2)cc1F	ZINC000016731760	556631413	/nfs/dbraw/zinc/63/14/13/556631413.db2.gz	TZZSGINJMGTZAB-HSZRJFAPSA-N	0	0	433.479	5.629	50	30		IKEARN
CCCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000005092873	556633690	/nfs/dbraw/zinc/63/36/90/556633690.db2.gz	MPBHOJHESNZCEY-MHZLTWQESA-N	0	0	432.608	7.094	50	30		IKEARN
Cc1ccc(C(=CCc2ccc(Cl)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000016739870	556634229	/nfs/dbraw/zinc/63/42/29/556634229.db2.gz	IUDKJALZZXTDRG-RGDDEBLSSA-N	0	0	436.855	5.994	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1ccccc1)[C@H]2/C=C\c1ccccc1	ZINC000033780138	556634595	/nfs/dbraw/zinc/63/45/95/556634595.db2.gz	MEBYLSQVZSCHEG-LGIXDALBSA-N	0	0	448.566	6.484	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(C)cc4s3)[C@@H]2c2ccncc2)cc1	ZINC000016741314	556635038	/nfs/dbraw/zinc/63/50/38/556635038.db2.gz	NOJQMHIZVDVQQG-OAQYLSRUSA-N	0	0	441.512	5.091	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC)c(Cl)c2)[C@H]1c1ccc(C(C)C)cc1	ZINC000016741372	556635049	/nfs/dbraw/zinc/63/50/49/556635049.db2.gz	HBZUKTBGVVZSPP-JOCHJYFZSA-N	0	0	439.939	5.626	50	30		IKEARN
O=C(Nc1sc(N=NCc2ccc(O)cc2)nc1-c1ccccc1)c1ccc(Cl)cc1	ZINC000016751712	556637605	/nfs/dbraw/zinc/63/76/05/556637605.db2.gz	SGUNUWUZWRCIKW-AFUMVMLFSA-N	0	0	448.935	5.867	50	30		IKEARN
Cc1cc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c(C)c1Cl	ZINC000003113662	556642191	/nfs/dbraw/zinc/64/21/91/556642191.db2.gz	NDNRKZXXHAQMJW-NSKAYECMSA-N	0	0	445.733	7.528	50	30		IKEARN
COc1ccc([C@H]2c3c(=O)[nH]c(SCc4ccccc4)nc3NC3=C2C(=O)CCC3)cc1	ZINC000016953600	556650138	/nfs/dbraw/zinc/65/01/38/556650138.db2.gz	IXJRHWWCUQQFOC-HXUWFJFHSA-N	0	0	445.544	5.048	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3s1)=N[C@H]2c1cccc(Cl)c1	ZINC000016971940	556651747	/nfs/dbraw/zinc/65/17/47/556651747.db2.gz	OUFYNXNDCTWGAL-FQEVSTJZSA-N	0	0	436.968	5.705	50	30		IKEARN
CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC)C1=O	ZINC000017097153	556661133	/nfs/dbraw/zinc/66/11/33/556661133.db2.gz	LXYQEMYXQSEUKH-UINIZAEWSA-N	0	0	430.573	6.561	50	30		IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)/C=C/c3ccccc3)ccc2C1=O	ZINC000011865112	556664897	/nfs/dbraw/zinc/66/48/97/556664897.db2.gz	REVLGCJWUCABLD-JUUKDOEISA-N	0	0	436.463	5.629	50	30	biogenic	IKEARN
C/C(=N/OC(=O)c1cc(-c2cccc(C)c2)nc2ccccc21)c1ccc(C(C)(C)C)cc1	ZINC000017100534	556665490	/nfs/dbraw/zinc/66/54/90/556665490.db2.gz	FNMKGNDPGBXBIT-GTWSWNCMSA-N	0	0	436.555	7.089	50	30		IKEARN
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(C(=O)c2ccccc2)C(=O)c2ccccc2)o1	ZINC000017101274	556665929	/nfs/dbraw/zinc/66/59/29/556665929.db2.gz	YDKFHCFIVGDXJR-UHFFFAOYSA-N	0	0	437.451	6.312	50	30		IKEARN
C=CCn1c(SCc2ccc(OC(F)F)c(OC)c2)nc2sc(C)c(C)c2c1=O	ZINC000022984879	556667119	/nfs/dbraw/zinc/66/71/19/556667119.db2.gz	PJUJGIWGYIYUCV-UHFFFAOYSA-N	0	0	438.521	5.163	50	30		IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\c2c(Cl)cccc2Cl)C3=O)c1	ZINC000011868867	556667578	/nfs/dbraw/zinc/66/75/78/556667578.db2.gz	YKGHXVCGJISTFP-MTJSOVHGSA-N	0	0	441.266	5.837	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1c(Cl)cccc1Cl)C2=O	ZINC000011869034	556667837	/nfs/dbraw/zinc/66/78/37/556667837.db2.gz	FYNBSVPJWWVETR-WSHPORRNSA-N	0	0	437.278	6.228	50	30		IKEARN
CC(C)CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C1=C(CC(C)(C)CC1=O)N2	ZINC000017113156	556668061	/nfs/dbraw/zinc/66/80/61/556668061.db2.gz	MGQLKWGCENGDDV-QGZVFWFLSA-N	0	0	429.611	5.170	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000017123935	556668607	/nfs/dbraw/zinc/66/86/07/556668607.db2.gz	UXKCHHHHPPYGOV-QHCPKHFHSA-N	0	0	433.508	5.394	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1cccc(F)c1	ZINC000017124854	556668954	/nfs/dbraw/zinc/66/89/54/556668954.db2.gz	VQABUBVJJRBHPY-HXUWFJFHSA-N	0	0	432.417	5.531	50	30		IKEARN
Cc1ccc(Sc2cc(Nc3ccccc3)c3c4c2noc4-c2ccccc2C3=O)cc1	ZINC000017147108	556669948	/nfs/dbraw/zinc/66/99/48/556669948.db2.gz	DLTLVWTVUAZCQL-SGWCAAJKSA-N	0	0	434.520	7.263	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1	ZINC000017145469	556669979	/nfs/dbraw/zinc/66/99/79/556669979.db2.gz	IQCHBIOTWKRKRW-QHCPKHFHSA-N	0	0	431.919	5.469	50	30		IKEARN
S=C1N(c2ccccc2)C(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1	ZINC000017154889	556670588	/nfs/dbraw/zinc/67/05/88/556670588.db2.gz	GXEVEEXXLMAMHC-HIXBMYMESA-N	0	0	432.552	6.759	50	30		IKEARN
O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(=O)[nH]c(SCc3ccccc3F)nc1N2	ZINC000017178665	556671783	/nfs/dbraw/zinc/67/17/83/556671783.db2.gz	FNEAMGRDWADKJD-LJQANCHMSA-N	0	0	433.508	5.178	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)[nH]c(=O)c1[C@@H]2c1ccccc1	ZINC000017242390	556674267	/nfs/dbraw/zinc/67/42/67/556674267.db2.gz	APLKEYLPLCHNJF-HXUWFJFHSA-N	0	0	443.572	5.675	50	30		IKEARN
Clc1ccc(-c2csc(N=NCc3ccc(Br)cc3)n2)c(Cl)c1	ZINC000011991687	556678605	/nfs/dbraw/zinc/67/86/05/556678605.db2.gz	LRHJSYDTJGHAGB-DNTJNYDQSA-N	0	0	427.154	6.325	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(CC)s1	ZINC000018038380	556682143	/nfs/dbraw/zinc/68/21/43/556682143.db2.gz	VEHPKAAVCHEUTI-RCDICMHDSA-N	0	0	427.591	5.297	50	30		IKEARN
Fc1ccc(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c(Cl)c1	ZINC000003113953	556682478	/nfs/dbraw/zinc/68/24/78/556682478.db2.gz	RMAGZCWMAUODMV-BHGWPJFGSA-N	0	0	429.676	6.800	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@@H]2c2ccc(-c3ccccc3)cc2)cc1	ZINC000018082385	556683391	/nfs/dbraw/zinc/68/33/91/556683391.db2.gz	URVROLGYPGPCLQ-MUUNZHRXSA-N	0	0	448.566	6.269	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000018137672	556684644	/nfs/dbraw/zinc/68/46/44/556684644.db2.gz	FCTUPJZLWWGATE-HRFSGMKKSA-N	0	0	426.491	5.746	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@H](C1C(=O)CC(c3ccco3)CC1=O)c1ccccc1O2	ZINC000226759992	556685199	/nfs/dbraw/zinc/68/51/99/556685199.db2.gz	RGXYSKFXYUNLBJ-RKPUJPDHSA-N	0	0	442.467	5.708	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(=O)C2[C@@H]1c1ccc(Cl)cc1	ZINC000018155903	556685209	/nfs/dbraw/zinc/68/52/09/556685209.db2.gz	AUGPVCVOLVUIRU-GKVSMKOHSA-N	0	0	432.907	5.854	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OCc2ccc(F)cc2)c1	ZINC000226762928	556685353	/nfs/dbraw/zinc/68/53/53/556685353.db2.gz	GFHOXAKMFHPFGJ-MHZLTWQESA-N	0	0	442.534	6.627	50	30		IKEARN
CCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000018172873	556685620	/nfs/dbraw/zinc/68/56/20/556685620.db2.gz	BQCCHOWCZWHBJU-VWLOTQADSA-N	0	0	434.536	5.257	50	30		IKEARN
O=C1c2ccccc2C2=Nc3ccccc3S[C@@H](c3cc(Br)ccc3F)C12	ZINC000018180985	556685732	/nfs/dbraw/zinc/68/57/32/556685732.db2.gz	QVMHTKLJLLFRFP-QFIPXVFZSA-N	0	0	438.321	6.455	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(=O)C2[C@H]1c1ccccc1	ZINC000018206702	556686920	/nfs/dbraw/zinc/68/69/20/556686920.db2.gz	RFGAFOURCLUOMA-CCLHPLFOSA-N	0	0	442.946	6.261	50	30		IKEARN
COc1cccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)C(F)(F)F)c1	ZINC000018249861	556688150	/nfs/dbraw/zinc/68/81/50/556688150.db2.gz	YDTXFOIGDQGKQP-NRFANRHFSA-N	0	0	444.453	5.401	50	30		IKEARN
C=CCn1c(SCc2nnc(SCc3ccc(F)cc3)o2)nnc1-c1ccccc1	ZINC000002578050	556688974	/nfs/dbraw/zinc/68/89/74/556688974.db2.gz	AYGQQWZMKJKUKF-UHFFFAOYSA-N	0	0	439.541	5.238	50	30		IKEARN
C#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000136385896	556689136	/nfs/dbraw/zinc/68/91/36/556689136.db2.gz	MPHNQMXBZMOYGA-UHFFFAOYSA-N	0	0	444.084	5.629	50	30		IKEARN
COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1	ZINC000018323439	556689411	/nfs/dbraw/zinc/68/94/11/556689411.db2.gz	MPDSXYRJWFCSBN-HFJWLAOPSA-N	0	0	428.488	5.209	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl	ZINC000018322539	556689444	/nfs/dbraw/zinc/68/94/44/556689444.db2.gz	QLJYLEUKPIZAFW-VWLOTQADSA-N	0	0	436.983	6.673	50	30		IKEARN
COc1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1	ZINC000018323443	556689464	/nfs/dbraw/zinc/68/94/64/556689464.db2.gz	MPDSXYRJWFCSBN-DWXRJYCRSA-N	0	0	428.488	5.209	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccc(OC)c2)cc1	ZINC000018324590	556689711	/nfs/dbraw/zinc/68/97/11/556689711.db2.gz	KFMRSICDARYYBV-UZTOHYMASA-N	0	0	426.516	5.683	50	30		IKEARN
Clc1ccc(Cl)c(-c2nc3cc(/N=C/c4ccc(Br)cc4)ccc3o2)c1	ZINC000003115320	556693144	/nfs/dbraw/zinc/69/31/44/556693144.db2.gz	FVDJCYBXKASMQK-BHGWPJFGSA-N	0	0	446.131	7.315	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@]1(O)CCCc2ccccc21	ZINC000013591451	556700452	/nfs/dbraw/zinc/70/04/52/556700452.db2.gz	NEWODRLGXDGQST-GDLZYMKVSA-N	0	0	448.591	6.603	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(C[C@@H](c3ccccc3O)CC1=O)N2	ZINC000033026473	556703509	/nfs/dbraw/zinc/70/35/09/556703509.db2.gz	AKLUZVOIEKVLJU-LRTDBIEQSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccccc3O)CC1=O)N2	ZINC000033026456	556703539	/nfs/dbraw/zinc/70/35/39/556703539.db2.gz	CEDOFBNGFVTUKT-QKVFXAPYSA-N	0	0	441.314	5.954	50	30		IKEARN
Cc1ccc(OCc2ccc(-c3nc(C#N)c(NCc4ccccc4Cl)o3)o2)cc1C	ZINC000033027024	556704169	/nfs/dbraw/zinc/70/41/69/556704169.db2.gz	YLTQUPRZTYJZPP-UHFFFAOYSA-N	0	0	433.895	6.268	50	30		IKEARN
O=C(/C=C/c1nc2ccccc2[nH]1)c1c(=O)[nH]c2ccccc2c1-c1ccc(Cl)cc1	ZINC000072314755	556704767	/nfs/dbraw/zinc/70/47/67/556704767.db2.gz	JDOQEYGHPDCRNU-BUHFOSPRSA-N	0	0	425.875	5.621	50	30		IKEARN
N#Cc1c2c(c(C(F)(F)F)nc1SCc1cn3cc(Cl)cc(Cl)c3n1)CCC2	ZINC000013640453	556705137	/nfs/dbraw/zinc/70/51/37/556705137.db2.gz	CMTBDSQITSFHPD-UHFFFAOYSA-N	0	0	443.281	5.708	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2cccs2)[C@H]1c1ccc(Cl)cc1	ZINC000013635507	556705432	/nfs/dbraw/zinc/70/54/32/556705432.db2.gz	SPICJYJHSFWNHN-ZRBLBEILSA-N	0	0	441.943	5.686	50	30		IKEARN
COc1c2c(cc3c1[C@@H](CC(=O)/C(C)=C/[C@H]1C(C)=CCCC1(C)C)N(C)CC3)OCO2	ZINC000033887130	556719844	/nfs/dbraw/zinc/71/98/44/556719844.db2.gz	SSFGQCRZUFDDEM-ZUGOVCDKSA-N	0	0	425.569	5.241	50	30	biogenic	IKEARN
CC1(C)CC(=O)[C@@H]([C@@H](CC(=NNc2ccccc2)c2ccccc2)c2ccccc2)CO1	ZINC000005180180	556721938	/nfs/dbraw/zinc/72/19/38/556721938.db2.gz	BSMWLMCESYEKFA-SYXVUOQKSA-N	0	0	426.560	6.061	50	30		IKEARN
CCN(CC)C(=O)CSc1nc(-c2cccs2)cc(-c2ccc(OC)cc2)c1C#N	ZINC000013739301	556723714	/nfs/dbraw/zinc/72/37/14/556723714.db2.gz	UYAFZBHUZXTPLW-UHFFFAOYSA-N	0	0	437.590	5.318	50	30		IKEARN
N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000013758166	556727635	/nfs/dbraw/zinc/72/76/35/556727635.db2.gz	PBPZPECVMADTSF-WUKNDPDISA-N	0	0	446.554	5.628	50	30		IKEARN
COc1ccc(/C=C\C(=O)c2cccs2)cc1Cn1nc(C)c(Br)c1C	ZINC000033928277	556733203	/nfs/dbraw/zinc/73/32/03/556733203.db2.gz	RSVSSLWPCYJYAK-VURMDHGXSA-N	0	0	431.355	5.277	50	30		IKEARN
CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)[C@@H](C)CC#N)c2c1C	ZINC000078968152	556737434	/nfs/dbraw/zinc/73/74/34/556737434.db2.gz	CBAHUCMWDROIAQ-AWEZNQCLSA-N	0	0	440.594	5.207	50	30		IKEARN
FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(N=NCc2ccc(Cl)cc2Cl)n1	ZINC000013810529	556743851	/nfs/dbraw/zinc/74/38/51/556743851.db2.gz	ZAPIHSXMNPLXBY-YCPBAFNGSA-N	0	0	445.659	6.569	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(F)c1	ZINC000013839298	556745216	/nfs/dbraw/zinc/74/52/16/556745216.db2.gz	CZYXZZFDWHXDAQ-UHFFFAOYSA-N	0	0	428.250	5.509	50	30		IKEARN
CCn1c(SCc2ccccc2C#N)nnc1-c1ccc(NC(=O)c2ccccc2)cc1	ZINC000013881275	556748433	/nfs/dbraw/zinc/74/84/33/556748433.db2.gz	MVXPHNJQNFKJDJ-UHFFFAOYSA-N	0	0	439.544	5.381	50	30		IKEARN
N#Cc1c2c(c(NN(Cc3ccccc3)Cc3ccccc3)n3c4ccccc4nc13)CCC2	ZINC000005295079	556762418	/nfs/dbraw/zinc/76/24/18/556762418.db2.gz	ICLYKXHEPFTMTN-UHFFFAOYSA-N	0	0	443.554	5.877	50	30		IKEARN
COc1cccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c1	ZINC000019535992	556794133	/nfs/dbraw/zinc/79/41/33/556794133.db2.gz	CYJHZDKJBSGMPD-XMMPIXPASA-N	0	0	431.532	5.043	50	30		IKEARN
C=CCn1c(=O)c2ccccc2nc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1	ZINC000002660624	556802859	/nfs/dbraw/zinc/80/28/59/556802859.db2.gz	LJJVMIRYOUTYQJ-JOCHJYFZSA-N	0	0	445.519	5.194	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2[C@H](C)CC)nc2sc(C)c(C)c2c1=O	ZINC000003249954	556804973	/nfs/dbraw/zinc/80/49/73/556804973.db2.gz	IOUJUOAZZHJWNF-CQSZACIVSA-N	0	0	441.622	5.505	50	30		IKEARN
CC(C)N(C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccc1	ZINC000003257024	556807094	/nfs/dbraw/zinc/80/70/94/556807094.db2.gz	URWPNNDADOWGAB-UHFFFAOYSA-N	0	0	430.529	5.308	50	30		IKEARN
CCCCCCCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2ccccc21	ZINC000097944606	556815175	/nfs/dbraw/zinc/81/51/75/556815175.db2.gz	GFKYPIICHSNPGC-UHFFFAOYSA-N	0	0	432.608	7.171	50	30		IKEARN
C=CCn1c(S[C@H](C)C(=O)c2ccc(OCC)cc2)nc2sc(C)c(C)c2c1=O	ZINC000003470740	556816308	/nfs/dbraw/zinc/81/63/08/556816308.db2.gz	BYOODFAOHSFYCL-OAHLLOKOSA-N	0	0	428.579	5.023	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(Nc2cccc(C(F)(F)F)c2)cc1-c1ccccc1	ZINC000005544055	556822979	/nfs/dbraw/zinc/82/29/79/556822979.db2.gz	FIHHQRUFLJZGCH-UHFFFAOYSA-N	0	0	428.417	6.789	50	30		IKEARN
O=C(Oc1ccc(/C=N/c2cccc(Cl)c2Cl)cc1)c1ccc(Br)cc1	ZINC000003116421	556826953	/nfs/dbraw/zinc/82/69/53/556826953.db2.gz	RCLSKNIJTQAFRP-WYMPLXKRSA-N	0	0	449.131	6.726	50	30		IKEARN
C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OCC	ZINC000019594662	556830386	/nfs/dbraw/zinc/83/03/86/556830386.db2.gz	MVHLDOFKHFTDSA-UHFFFAOYSA-N	0	0	449.591	5.623	50	30		IKEARN
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1	ZINC000019631390	556832593	/nfs/dbraw/zinc/83/25/93/556832593.db2.gz	QITBWJCJYYXBIR-IBGZPJMESA-N	0	0	440.392	5.258	50	30		IKEARN
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019634626	556834449	/nfs/dbraw/zinc/83/44/49/556834449.db2.gz	USDMBBGSNOGXPP-AJTFRIOCSA-N	0	0	441.571	5.924	50	30		IKEARN
O=C(/C=C\c1c(F)cccc1Cl)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1	ZINC000096609560	556837507	/nfs/dbraw/zinc/83/75/07/556837507.db2.gz	VFQDPWUHNVOCHI-BENRWUELSA-N	0	0	438.285	6.537	50	30		IKEARN
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccccc3)CC2=O)N1	ZINC000019643587	556838390	/nfs/dbraw/zinc/83/83/90/556838390.db2.gz	GSKDVKZRDSPPOD-SIBVEZHUSA-N	0	0	445.534	5.673	50	30		IKEARN
COc1ccccc1[C@@H]1C(C(=O)OCC(C)C)=C(C)NC2=C1C(=O)C[C@H](c1ccccc1)C2	ZINC000019643788	556838551	/nfs/dbraw/zinc/83/85/51/556838551.db2.gz	LYBMJVAFISFUSN-FQRUVTKNSA-N	0	0	445.559	5.256	50	30		IKEARN
O=C(C(=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)c1ccccc1)c1ccccc1	ZINC000019645641	556840128	/nfs/dbraw/zinc/84/01/28/556840128.db2.gz	BBJQEWAEAYYKTJ-UHFFFAOYSA-N	0	0	447.317	7.403	50	30		IKEARN
CCCCCCCCCCCCCCCC(=O)OCC(C)(C)[C@H](O)C(=O)NCCC#N	ZINC000097949436	556840310	/nfs/dbraw/zinc/84/03/10/556840310.db2.gz	BUAOZWHUTYXTJD-HSZRJFAPSA-N	0	0	438.653	5.428	50	30		IKEARN
O=C(/C=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(N2CCOCC2)c1	ZINC000096794645	556845747	/nfs/dbraw/zinc/84/57/47/556845747.db2.gz	IPRHKOLOWXIVPG-CLFYSBASSA-N	0	0	428.315	5.986	50	30		IKEARN
CCCCCCCCCCCc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1	ZINC000097951485	556848460	/nfs/dbraw/zinc/84/84/60/556848460.db2.gz	CYSZGUOVMFLTMN-UHFFFAOYSA-N	0	0	443.444	7.562	50	30		IKEARN
CCCCCCCCn1c(CCC)nc2c3cc4c(nc3sc2c1=O)CC(C)(C)OC4	ZINC000097953062	556849919	/nfs/dbraw/zinc/84/99/19/556849919.db2.gz	WNQXTYZMWYGKJX-UHFFFAOYSA-N	0	0	441.641	6.171	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(OC)c2)c1=O	ZINC000097954563	556850569	/nfs/dbraw/zinc/85/05/69/556850569.db2.gz	NXUGIRBPTKMSGT-UHFFFAOYSA-N	0	0	441.535	5.263	50	30		IKEARN
C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)NC1(C#N)CCCCC1	ZINC000008898417	556851011	/nfs/dbraw/zinc/85/10/11/556851011.db2.gz	UCJUQURNBJFVOV-AWEZNQCLSA-N	0	0	442.635	5.690	50	30		IKEARN
CCc1ccc(-c2nc(NC(=O)/C=C/c3ccc(OCC#N)c(OC)c3)sc2C)cc1	ZINC000008877485	556851641	/nfs/dbraw/zinc/85/16/41/556851641.db2.gz	DXKGQAOTDZBMAU-XYOKQWHBSA-N	0	0	433.533	5.244	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3cc(OCc4ccccc4F)ccc3C1=O)cn2C	ZINC000008991545	556853282	/nfs/dbraw/zinc/85/32/82/556853282.db2.gz	PSEBQWOVGNVVAW-OPEKNORGSA-N	0	0	429.447	5.521	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(OC)c(OC)c4)c3c2C1	ZINC000033097091	556858230	/nfs/dbraw/zinc/85/82/30/556858230.db2.gz	XTGBMTDYYFWIIP-LNLSZRECSA-N	0	0	438.597	5.696	50	30		IKEARN
CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(NC(C)=O)cc1	ZINC000004675199	556864722	/nfs/dbraw/zinc/86/47/22/556864722.db2.gz	MPWYXKNAIKSTTP-UHFFFAOYSA-N	0	0	425.536	6.102	50	30		IKEARN
N#Cc1cccc(S(=O)(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1	ZINC000033169058	556881430	/nfs/dbraw/zinc/88/14/30/556881430.db2.gz	AJPPYFKUUMRELZ-UHFFFAOYSA-N	0	0	425.922	5.289	50	30		IKEARN
CCCCOc1ccccc1[C@@H]1C(C(=O)OCCC)=C(C)NC2=C1C(=O)CC(C)(C)C2	ZINC000004712788	556890297	/nfs/dbraw/zinc/89/02/97/556890297.db2.gz	JTFHIBPPUAYFMW-HSZRJFAPSA-N	0	0	425.569	5.423	50	30		IKEARN
COc1cc2c(cc1OC)[C@@H](C1C(=O)CC(C)(C)CC1=O)C1=C(CC(C)(C)CC1=O)O2	ZINC000004713235	556890376	/nfs/dbraw/zinc/89/03/76/556890376.db2.gz	VZZLAMBMWPLSFB-NRFANRHFSA-N	0	0	426.509	5.024	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1OC(C)C	ZINC000019761822	556905610	/nfs/dbraw/zinc/90/56/10/556905610.db2.gz	DFPGCFXBBZYONE-DFBJGRDBSA-N	0	0	431.532	5.008	50	30		IKEARN
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000019762664	556907127	/nfs/dbraw/zinc/90/71/27/556907127.db2.gz	PZLCEOCVSXGAHN-QHCPKHFHSA-N	0	0	437.923	5.060	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019830815	556926276	/nfs/dbraw/zinc/92/62/76/556926276.db2.gz	JHTBJUSVJWSFGY-NLFFAJNJSA-N	0	0	433.523	5.387	50	30		IKEARN
CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000019848678	556930378	/nfs/dbraw/zinc/93/03/78/556930378.db2.gz	JXDCVZKEBIJJLD-XMMPIXPASA-N	0	0	449.978	5.730	50	30		IKEARN
Brc1cccc(/C=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1	ZINC000019848778	556930472	/nfs/dbraw/zinc/93/04/72/556930472.db2.gz	HYATVAXGRXVDKZ-LGUFXXKBSA-N	0	0	434.381	5.190	50	30		IKEARN
C/C(=N/N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1	ZINC000019850197	556930533	/nfs/dbraw/zinc/93/05/33/556930533.db2.gz	HNMUYMVHDZBDQL-OOAXWGSJSA-N	0	0	448.408	5.580	50	30		IKEARN
CC1=C(C(=O)OCC(C)C)[C@H](c2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	ZINC000019855330	556931133	/nfs/dbraw/zinc/93/11/33/556931133.db2.gz	PUMHXNHZVUZKGS-NLFFAJNJSA-N	0	0	433.523	5.387	50	30		IKEARN
CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccccc2)N(C[C@H]2CCCO2)C1=O	ZINC000019881093	556936996	/nfs/dbraw/zinc/93/69/96/556936996.db2.gz	SYSLHZGKUNLUIS-XUVMKFHYSA-N	0	0	442.968	5.522	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(O)ccc5ccccc54)c3c2C1	ZINC000019893678	556940060	/nfs/dbraw/zinc/94/00/60/556940060.db2.gz	RJALSQWHMDZHMB-UDRPCTDCSA-N	0	0	444.604	6.537	50	30		IKEARN
Cc1ccc(-c2nc(C#N)c(N=NCc3ccc(-c4cccc(C(F)(F)F)c4)o3)o2)cc1	ZINC000019927945	556945860	/nfs/dbraw/zinc/94/58/60/556945860.db2.gz	SKTLUQBCDMVWEJ-QDTIIGTASA-N	0	0	436.393	6.247	50	30		IKEARN
CC(C)(C)N=C1Nc2ccccc2N[C@@]12CCCN(C(=O)Nc1ccc(F)cc1F)C2	ZINC000097088240	556983638	/nfs/dbraw/zinc/98/36/38/556983638.db2.gz	FWFPVRCPVAQXCR-HSZRJFAPSA-N	0	0	427.499	5.066	50	30		IKEARN
CCCCCCCOc1ccc(/C=C2/SC(=S)N(/N=C/c3ccccc3)C2=O)cc1	ZINC000097959806	556986035	/nfs/dbraw/zinc/98/60/35/556986035.db2.gz	COIIFHAEXFDIGO-FSRQGDLASA-N	0	0	438.618	6.271	50	30		IKEARN
CCCCCCCCCCCCNC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc21	ZINC000097960073	556986178	/nfs/dbraw/zinc/98/61/78/556986178.db2.gz	YWUXYWZYOKCHAO-UHFFFAOYSA-N	0	0	444.663	8.169	50	30		IKEARN
CN1C/C(=C\c2ccccc2Br)C(=O)/C(=C/c2ccccc2Br)C1	ZINC000020115449	556987082	/nfs/dbraw/zinc/98/70/82/556987082.db2.gz	FAVOOEYXDNBGBH-OTYYAQKOSA-N	0	0	447.170	5.193	50	30		IKEARN
COc1ccccc1/C=C1\CN(Cc2ccccc2)C/C(=C\c2ccccc2OC)C1=O	ZINC000020115391	556987176	/nfs/dbraw/zinc/98/71/76/556987176.db2.gz	QETQTKNXDBHZSW-MUPYBJATSA-N	0	0	425.528	5.256	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3cccc(Cl)c3)NC2=O)cc1	ZINC000097968993	556989609	/nfs/dbraw/zinc/98/96/09/556989609.db2.gz	UTUOAPGFLFOGNJ-JWGURIENSA-N	0	0	443.012	6.971	50	30		IKEARN
CCCCCCCCc1ccc(-c2ccc(-c3ccc(CCCCCC)cn3)cc2)cc1	ZINC000097994385	557003151	/nfs/dbraw/zinc/00/31/51/557003151.db2.gz	PHBZGGGDWKTDEL-UHFFFAOYSA-N	0	0	427.676	9.441	50	30		IKEARN
CCCCCCCCCCOc1ccc(OC(=O)c2cccc(C(=O)OCC)n2)cc1	ZINC000097997041	557004157	/nfs/dbraw/zinc/00/41/57/557004157.db2.gz	FAYQSQMHDXSTHR-UHFFFAOYSA-N	0	0	427.541	5.997	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc21	ZINC000097998503	557004264	/nfs/dbraw/zinc/00/42/64/557004264.db2.gz	QJTYKUKRSHAGKR-UHFFFAOYSA-N	0	0	430.552	5.732	50	30		IKEARN
CCCCCCCCOC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc21	ZINC000097998506	557004313	/nfs/dbraw/zinc/00/43/13/557004313.db2.gz	RHHLRXFSHMZSGW-UHFFFAOYSA-N	0	0	448.542	5.871	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\N=C(c3ccc(CCCC)cc3)OC2=O)cc1	ZINC000097998387	557004351	/nfs/dbraw/zinc/00/43/51/557004351.db2.gz	QPJHLLMCIBVQMG-QLYXXIJNSA-N	0	0	433.592	7.113	50	30		IKEARN
CCCCCCCCCCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1	ZINC000097997156	557004365	/nfs/dbraw/zinc/00/43/65/557004365.db2.gz	WHGFKJJUGKEUNJ-GFMRDNFCSA-N	0	0	435.564	6.559	50	30		IKEARN
CCCCCCCOc1ccc(C2=N/C(=C\c3ccc(Br)cc3)C(=O)O2)cc1	ZINC000097997896	557004406	/nfs/dbraw/zinc/00/44/06/557004406.db2.gz	MKPJCXUHQAICEA-PGMHBOJBSA-N	0	0	442.353	6.143	50	30		IKEARN
CCCCCCCCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1	ZINC000097999361	557005198	/nfs/dbraw/zinc/00/51/98/557005198.db2.gz	APAMUKPQYHNZEK-OAQYLSRUSA-N	0	0	433.596	6.316	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2ccccc2Cl)NCCc2c[nH]c3ccccc23)c(C)c1	ZINC000032943166	557017202	/nfs/dbraw/zinc/01/72/02/557017202.db2.gz	IVIIHUFQJGCCQU-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
CCOc1ccc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)C2CCCCC2)cc1	ZINC000032943120	557017379	/nfs/dbraw/zinc/01/73/79/557017379.db2.gz	HMLNMXGJPHIVKH-UHFFFAOYSA-N	0	0	432.568	5.274	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2ccc(C)c(F)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000032943219	557017842	/nfs/dbraw/zinc/01/78/42/557017842.db2.gz	AEHYHGDDEDSEAU-UHFFFAOYSA-N	0	0	442.538	5.673	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NCCc1c[nH]c2ccccc12)NC(=O)c1cccs1	ZINC000032943247	557017860	/nfs/dbraw/zinc/01/78/60/557017860.db2.gz	WIIWMTNHWABBJH-UHFFFAOYSA-N	0	0	436.968	5.441	50	30		IKEARN
Cc1ccc(C)c(NC(=NC(=O)c2ccccc2F)NCCc2c[nH]c3ccccc23)c1	ZINC000032943333	557018114	/nfs/dbraw/zinc/01/81/14/557018114.db2.gz	YUEKEMCUJPMOMA-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=NC(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12	ZINC000032943255	557018144	/nfs/dbraw/zinc/01/81/44/557018144.db2.gz	QYMCVYZGJQUEPQ-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccc(C(C)C)cc2)cc1	ZINC000032943362	557018166	/nfs/dbraw/zinc/01/81/66/557018166.db2.gz	BQXIHNIKMFFWCD-UHFFFAOYSA-N	0	0	438.575	6.040	50	30		IKEARN
COc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cc(C)ccc2C)cc1	ZINC000032943334	557018233	/nfs/dbraw/zinc/01/82/33/557018233.db2.gz	HQCNXJZLQRTNGT-UHFFFAOYSA-N	0	0	440.547	5.234	50	30		IKEARN
Cc1ccccc1C(=O)N=C(NCCc1c[nH]c2ccccc12)Nc1cccc(Cl)c1C	ZINC000032943314	557018397	/nfs/dbraw/zinc/01/83/97/557018397.db2.gz	DODWVDZKIRQCBI-UHFFFAOYSA-N	0	0	444.966	5.879	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1ccc(OC)cc1)NCCc1c[nH]c2ccccc12	ZINC000032943382	557018508	/nfs/dbraw/zinc/01/85/08/557018508.db2.gz	OVZXLGSAJHEPFO-UHFFFAOYSA-N	0	0	440.547	5.180	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2ccccc2F)cc1	ZINC000032943431	557018757	/nfs/dbraw/zinc/01/87/57/557018757.db2.gz	XZTROISYUPPRHF-UHFFFAOYSA-N	0	0	444.510	5.146	50	30		IKEARN
Cc1ccc(C(=O)N=C(NCCc2c[nH]c3ccccc23)Nc2cccc(C)c2C)cc1F	ZINC000032943457	557019667	/nfs/dbraw/zinc/01/96/67/557019667.db2.gz	MRVDOWZCNCGVGL-UHFFFAOYSA-N	0	0	442.538	5.673	50	30		IKEARN
N#Cc1c(NC(=O)c2cc(Cl)cc(Cl)c2)sc2c1CCN(Cc1ccccc1)C2	ZINC000023153751	557028854	/nfs/dbraw/zinc/02/88/54/557028854.db2.gz	MLXLPJXXLUWVKC-UHFFFAOYSA-N	0	0	442.371	5.737	50	30		IKEARN
CCCCCCCCCC(=O)Nc1cccc([C@@H]2SCC(=O)N2c2ccc(F)cc2)c1	ZINC000098021389	557029231	/nfs/dbraw/zinc/02/92/31/557029231.db2.gz	GTDGCKWELWWFHZ-VWLOTQADSA-N	0	0	442.600	6.684	50	30		IKEARN
Cc1cc(C)cc(NC(=NC(=O)c2cccc(Cl)c2)N2CCN(c3ccccc3)CC2)c1	ZINC000032946180	557030578	/nfs/dbraw/zinc/03/05/78/557030578.db2.gz	XFXXSWPJCWOLTP-UHFFFAOYSA-N	0	0	446.982	5.387	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1	ZINC000032946339	557031322	/nfs/dbraw/zinc/03/13/22/557031322.db2.gz	UMIZDNGQXPITIV-UHFFFAOYSA-N	0	0	432.955	5.079	50	30		IKEARN
O=C(N=C(NCc1ccccn1)Nc1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1	ZINC000046125915	557038225	/nfs/dbraw/zinc/03/82/25/557038225.db2.gz	JCYLEOQIPCONKS-UHFFFAOYSA-N	0	0	432.833	5.152	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2-c2ccccc2S1(=O)=O	ZINC000033271940	557050338	/nfs/dbraw/zinc/05/03/38/557050338.db2.gz	ZAFFXVOVWVKUMI-UHFFFAOYSA-N	0	0	446.572	5.732	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2-c2ccccc2S1(=O)=O	ZINC000033271922	557050372	/nfs/dbraw/zinc/05/03/72/557050372.db2.gz	ZMEVESTVFNKVKQ-UHFFFAOYSA-N	0	0	438.936	5.262	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccccc2S1(=O)=O	ZINC000033271919	557050441	/nfs/dbraw/zinc/05/04/41/557050441.db2.gz	OKERYXQTTJFSCM-UHFFFAOYSA-N	0	0	438.936	5.262	50	30		IKEARN
C=CCN1c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccccc2S1(=O)=O	ZINC000033271932	557050446	/nfs/dbraw/zinc/05/04/46/557050446.db2.gz	MFUVBYWVDQSJMM-UHFFFAOYSA-N	0	0	432.545	5.226	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1	ZINC000004742397	557066744	/nfs/dbraw/zinc/06/67/44/557066744.db2.gz	PMBSWZWCNKVWLV-OLVLZXMISA-N	0	0	442.684	7.139	50	30	biogenic,in-vitro	IKEARN
Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000017467123	557090307	/nfs/dbraw/zinc/09/03/07/557090307.db2.gz	LATHMBIBTZXTOU-CMTIAEDTSA-N	0	0	433.486	5.544	50	30		IKEARN
COc1cc([C@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2ccc(Cl)cc2)ccc1O	ZINC000033321097	557105766	/nfs/dbraw/zinc/10/57/66/557105766.db2.gz	LLUMZAUJCNOVHZ-QRQCRPRQSA-N	0	0	436.895	5.309	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(O)c(OC)c1)C2	ZINC000033321135	557105980	/nfs/dbraw/zinc/10/59/80/557105980.db2.gz	QUFAHBDDTDEJPC-UPCLLVRISA-N	0	0	446.503	5.054	50	30		IKEARN
CCOc1ccc([C@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(O)c(OC)c2)C3)cc1	ZINC000033321130	557106095	/nfs/dbraw/zinc/10/60/95/557106095.db2.gz	IPAYWZFNFRISSR-XDHUDOTRSA-N	0	0	446.503	5.054	50	30		IKEARN
CC1CCN(c2oc(-c3ccc(COc4ccc(Br)cc4)o3)nc2C#N)CC1	ZINC000033324473	557106434	/nfs/dbraw/zinc/10/64/34/557106434.db2.gz	OWMIPINQEDPROX-UHFFFAOYSA-N	0	0	442.313	5.384	50	30		IKEARN
C=CC/N=C/C1=C(Sc2ccccc2)c2sc(NC(C)=O)c(C(=O)OCC)c2CC1	ZINC000003139289	557114102	/nfs/dbraw/zinc/11/41/02/557114102.db2.gz	JXPDJVCCSVRKKS-ZVHZXABRSA-N	0	0	440.590	5.590	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(C)cc1	ZINC000001118949	557121346	/nfs/dbraw/zinc/12/13/46/557121346.db2.gz	RNOPMLLZRSFROK-UHFFFAOYSA-N	0	0	428.355	5.177	50	30		IKEARN
S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Br	ZINC000243901434	557124742	/nfs/dbraw/zinc/12/47/42/557124742.db2.gz	BBKJJLUHLPKHEC-UHFFFAOYSA-N	0	0	428.142	5.185	50	30		IKEARN
N#Cc1nc(/C=C/c2ccccc2)oc1NC[C@H](c1ccc(Cl)cc1)N1CCCCC1	ZINC000606422433	557125020	/nfs/dbraw/zinc/12/50/20/557125020.db2.gz	FIAPKYDADLZZIE-VTJDKEBTSA-N	0	0	432.955	6.009	50	30		IKEARN
CSc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000017837455	557125143	/nfs/dbraw/zinc/12/51/43/557125143.db2.gz	HZTRSTRWVNEPOR-XMMPIXPASA-N	0	0	446.616	5.960	50	30		IKEARN
CCCCCCCCCC(=O)Oc1ccc(-c2ncc(CCCCCCCC)cn2)cc1	ZINC000033354409	557130380	/nfs/dbraw/zinc/13/03/80/557130380.db2.gz	BNYDKDMFTOSVQL-UHFFFAOYSA-N	0	0	438.656	8.093	50	30	biogenic	IKEARN
C#CCOc1cc(Br)c([C@@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OC	ZINC000002776227	557130615	/nfs/dbraw/zinc/13/06/15/557130615.db2.gz	BVJODGJFCNGHAW-KRWDZBQOSA-N	0	0	436.305	5.097	50	30		IKEARN
N#Cc1cccc(NC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)c1	ZINC000000664012	557131436	/nfs/dbraw/zinc/13/14/36/557131436.db2.gz	YBRDUJKORYAWPT-UHFFFAOYSA-N	0	0	430.455	5.290	50	30		IKEARN
CC[C@@H](C)Oc1ccccc1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1C(C)=O	ZINC000000673083	557133487	/nfs/dbraw/zinc/13/34/87/557133487.db2.gz	PNXJNSIYRDXNJQ-WGDIFIGCSA-N	0	0	432.564	6.027	50	30		IKEARN
O=c1oc2ccccc2cc1-c1ccc(/N=C/C=C/c2ccc(Br)cc2)cc1	ZINC000003140542	557136228	/nfs/dbraw/zinc/13/62/28/557136228.db2.gz	OSZCMIRKLTVHCW-NTFWDIDUSA-N	0	0	430.301	6.638	50	30		IKEARN
Cc1cccc(C)c1NC(=O)CSc1nc2ccc(/N=C/c3ccccc3O)cc2s1	ZINC000000705084	557139672	/nfs/dbraw/zinc/13/96/72/557139672.db2.gz	MGWXXKQXYKCYIH-DHRITJCHSA-N	0	0	447.585	6.100	50	30		IKEARN
COc1cc(-c2c(C#N)c3nc4ccccc4n3c(N)c2C#N)ccc1OCc1ccccc1	ZINC000000706359	557140270	/nfs/dbraw/zinc/14/02/70/557140270.db2.gz	JGKDQJWECCFLSK-UHFFFAOYSA-N	0	0	445.482	5.068	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(/N=C/c3cc(Br)c(Br)s3)sc2C1	ZINC000000714832	557147800	/nfs/dbraw/zinc/14/78/00/557147800.db2.gz	QLMADRXMNAORFG-QVBAUOOPSA-N	0	0	444.217	6.082	50	30		IKEARN
C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)N(CCC#N)c1ccccc1	ZINC000011443899	557148366	/nfs/dbraw/zinc/14/83/66/557148366.db2.gz	QWFFKKSBMLZNHD-ZDUSSCGKSA-N	0	0	430.888	5.186	50	30		IKEARN
Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1Sc1ccccc1C#N	ZINC000024805873	557148491	/nfs/dbraw/zinc/14/84/91/557148491.db2.gz	LUUKTEQVRADNMB-UHFFFAOYSA-N	0	0	429.545	5.037	50	30		IKEARN
CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccccc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000016393633	557150798	/nfs/dbraw/zinc/15/07/98/557150798.db2.gz	QBOBMTBXBZBAST-HOYKHHGWSA-N	0	0	441.556	5.143	50	30		IKEARN
COc1ccc(Br)cc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)CCC2	ZINC000016425619	557151564	/nfs/dbraw/zinc/15/15/64/557151564.db2.gz	HWWCDOGJKRIFQE-QFIPXVFZSA-N	0	0	435.321	5.570	50	30		IKEARN
Cc1ccccc1C(=O)NC(Nc1ccc(C(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F	ZINC000095725687	557160250	/nfs/dbraw/zinc/16/02/50/557160250.db2.gz	BNNZOZQCBDRVCH-UHFFFAOYSA-N	0	0	444.297	5.677	50	30		IKEARN
N#Cc1c(NC(=O)c2cccs2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1	ZINC000000728972	557162479	/nfs/dbraw/zinc/16/24/79/557162479.db2.gz	CTZROLIJCRVSTP-UHFFFAOYSA-N	0	0	449.535	6.649	50	30	aggregator	IKEARN
CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC[C@@](C#N)(c1ccccc1)C2	ZINC000000751970	557168221	/nfs/dbraw/zinc/16/82/21/557168221.db2.gz	YFZFDLMPFJTDOG-RUZDIDTESA-N	0	0	430.529	5.127	50	30		IKEARN
N#Cc1ccc(NC(=O)c2nn3c(nc(-c4ccccc4)cc3C(F)(F)F)c2Cl)cc1	ZINC000000759350	557168251	/nfs/dbraw/zinc/16/82/51/557168251.db2.gz	BKORDFSRCDPVPG-UHFFFAOYSA-N	0	0	441.800	5.192	50	30		IKEARN
Cn1c2ccc([C@@H]3Nc4ccc5ccccc5c4C4=C3C(=O)CC(C)(C)C4)cc2n(C)c1=O	ZINC000000756561	557170104	/nfs/dbraw/zinc/17/01/04/557170104.db2.gz	ZXFAIFYZBLBLBA-SANMLTNESA-N	0	0	437.543	5.340	50	30		IKEARN
Cc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)c2C#N)o1	ZINC000000756955	557170369	/nfs/dbraw/zinc/17/03/69/557170369.db2.gz	SNGSTUWRBYHAOY-UHFFFAOYSA-N	0	0	427.323	5.568	50	30		IKEARN
Cc1c(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C	ZINC000109341088	557171407	/nfs/dbraw/zinc/17/14/07/557171407.db2.gz	IDOLUSWFEQDZEN-JVWAILMASA-N	0	0	433.621	6.240	50	30		IKEARN
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(C)c2)cc1OC	ZINC000000781125	557176418	/nfs/dbraw/zinc/17/64/18/557176418.db2.gz	AMBPRWLLGRGDJA-NGOKVRLYSA-N	0	0	440.543	5.992	50	30		IKEARN
C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl	ZINC000009261118	557184317	/nfs/dbraw/zinc/18/43/17/557184317.db2.gz	SZUZKSTWQKRNOX-UHFFFAOYSA-N	0	0	447.391	5.302	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1	ZINC000009306085	557186089	/nfs/dbraw/zinc/18/60/89/557186089.db2.gz	QLOPBKFCUXDSDD-UHFFFAOYSA-N	0	0	443.743	5.415	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2cc(Cl)ccc2o1	ZINC000009667598	557192350	/nfs/dbraw/zinc/19/23/50/557192350.db2.gz	LSQVSVPJWIFTCF-UHFFFAOYSA-N	0	0	442.903	5.401	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1	ZINC000100856130	557192709	/nfs/dbraw/zinc/19/27/09/557192709.db2.gz	DUDANSXBYVGRLT-XLNRJJMWSA-N	0	0	441.618	6.537	50	30		IKEARN
C/C=C/Oc1ccc(C(=O)/C(=C\c2ccc(OCCC)cc2)c2nc3ccccc3o2)cc1	ZINC000011614470	557208871	/nfs/dbraw/zinc/20/88/71/557208871.db2.gz	NHXYJGNGNZQUMD-YVNQKZIZSA-N	0	0	439.511	6.953	50	30		IKEARN
N#Cc1c(/N=C/N2CCOCC2)n(Cc2ccco2)c(-c2ccccc2)c1-c1ccccc1	ZINC000100986682	557210301	/nfs/dbraw/zinc/21/03/01/557210301.db2.gz	WWENXMDAEOVSAZ-ZTKZIYFRSA-N	0	0	436.515	5.327	50	30		IKEARN
O=C1CCCC2=C1C(c1ccc(-c3cccc(C(F)(F)F)c3)o1)C1=C(CCCC1=O)N2	ZINC000025539530	557213840	/nfs/dbraw/zinc/21/38/40/557213840.db2.gz	RRVRAHXQUBLXSE-UHFFFAOYSA-N	0	0	427.422	5.666	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4ccc(C(=O)OC)cc4)c3c2C1	ZINC000025559697	557214407	/nfs/dbraw/zinc/21/44/07/557214407.db2.gz	KGDVACCFUJRFCB-BMAFUFKNSA-N	0	0	436.581	5.465	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4ccc(C(=O)OC)cc4)c3c2C1	ZINC000025559693	557214411	/nfs/dbraw/zinc/21/44/11/557214411.db2.gz	KGDVACCFUJRFCB-JAGRMCENSA-N	0	0	436.581	5.465	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NC(C)c4ccc5ccccc5c4)c3c2C1	ZINC000025559701	557214436	/nfs/dbraw/zinc/21/44/36/557214436.db2.gz	CKEDGCDUCJJIIR-BKXZIFFXSA-N	0	0	442.632	7.222	50	30		IKEARN
CCOC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000023316040	557214567	/nfs/dbraw/zinc/21/45/67/557214567.db2.gz	JUEYLDNZUUGORI-VWLOTQADSA-N	0	0	436.577	5.394	50	30		IKEARN
CCOC(=O)c1c(NC(=O)C2CCCCC2)sc2c1CC[C@](C#N)(c1ccccc1)C2	ZINC000023317903	557216301	/nfs/dbraw/zinc/21/63/01/557216301.db2.gz	JYLIWRGJNUBFLL-VWLOTQADSA-N	0	0	436.577	5.394	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(C(C)(C)C)cc(C(F)(F)F)c2C#N)cc1OC	ZINC000000803990	557218351	/nfs/dbraw/zinc/21/83/51/557218351.db2.gz	AYVYJFNGADIMAF-UHFFFAOYSA-N	0	0	438.471	5.262	50	30		IKEARN
CCOc1ccc(/C=C2\S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(OCC)c1	ZINC000097466958	557218860	/nfs/dbraw/zinc/21/88/60/557218860.db2.gz	RTLJLZDGBLFTKC-WRKLRJIISA-N	0	0	426.538	5.117	50	30		IKEARN
CCN1C/C(=C\c2c(Cl)cccc2Cl)C(=O)/C(=C/c2c(Cl)cccc2Cl)C1	ZINC000025762103	557224881	/nfs/dbraw/zinc/22/48/81/557224881.db2.gz	YWXFWSSWXFFSNG-UTLPMFLDSA-N	0	0	441.185	6.672	50	30		IKEARN
O=C1ON=C(c2ccccc2)/C1=C/c1ccccc1OCc1ccc(Br)cc1	ZINC000101074827	557225273	/nfs/dbraw/zinc/22/52/73/557225273.db2.gz	MFSNZNWQDYIEIF-XSFVSMFZSA-N	0	0	434.289	5.373	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(Br)cc2)c1CCC#N	ZINC000025783371	557226098	/nfs/dbraw/zinc/22/60/98/557226098.db2.gz	UJVAMVWZUFFIKX-UHFFFAOYSA-N	0	0	430.309	5.630	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000000809047	557228268	/nfs/dbraw/zinc/22/82/68/557228268.db2.gz	CETRNPAQZPQUDJ-VWLOTQADSA-N	0	0	442.471	5.786	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000000809046	557228320	/nfs/dbraw/zinc/22/83/20/557228320.db2.gz	CETRNPAQZPQUDJ-RUZDIDTESA-N	0	0	442.471	5.786	50	30		IKEARN
Cc1ccc(N=C2SC(=NN=Cc3ccccc3O)N=C2Nc2ccc(C)cc2)cc1	ZINC000097944554	557229988	/nfs/dbraw/zinc/22/99/88/557229988.db2.gz	QUQPMXIGAFXLML-GSGFKCGZSA-N	0	0	427.533	5.496	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(F)cc1)C(Cl)(Cl)Cl	ZINC000097950698	557230617	/nfs/dbraw/zinc/23/06/17/557230617.db2.gz	AWTHZKFPTUSFIU-HNNXBMFYSA-N	0	0	442.815	5.285	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccc(OC)cc2)cc1	ZINC000100034547	557238394	/nfs/dbraw/zinc/23/83/94/557238394.db2.gz	IKPWQALGELDMHO-UHFFFAOYSA-N	0	0	442.600	6.415	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2ccc(-c3ccccc3)cc2)cc1	ZINC000100034584	557238408	/nfs/dbraw/zinc/23/84/08/557238408.db2.gz	NGXUWLYJSMSUJJ-UHFFFAOYSA-N	0	0	444.619	8.517	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)N[C@H](C)c2ccc(OC)cc2)cc1	ZINC000100058914	557239110	/nfs/dbraw/zinc/23/91/10/557239110.db2.gz	KJGSPWJKVJURLX-OAQYLSRUSA-N	0	0	426.601	7.097	50	30		IKEARN
CCCCCCCCCCCC[C@@H]1CC(=O)N(C2CC(C)(C)N(C(C)=O)C(C)(C)C2)C1=O	ZINC000100071205	557239869	/nfs/dbraw/zinc/23/98/69/557239869.db2.gz	VXTRPEFUPWORNH-JOCHJYFZSA-N	0	0	448.692	6.241	50	30		IKEARN
CC(C)c1ccc(/N=C2/c3cc(Br)ccc3N(CCc3ccccc3)C2=O)cc1	ZINC000100163357	557245509	/nfs/dbraw/zinc/24/55/09/557245509.db2.gz	ILNFIRIPCIGYAA-PNHLSOANSA-N	0	0	447.376	6.283	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(=O)C2[C@@H]1c1cccc(F)c1	ZINC000018179087	557246010	/nfs/dbraw/zinc/24/60/10/557246010.db2.gz	VUXPEMRNQDGDKF-PIKZIKFNSA-N	0	0	440.518	6.055	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccc(Br)s1	ZINC000018196065	557247925	/nfs/dbraw/zinc/24/79/25/557247925.db2.gz	LVCOHLVMHISJGW-UHFFFAOYSA-N	0	0	435.383	5.911	50	30		IKEARN
C=CCOc1ccc([C@H]2c3c(C)nn(Cc4ccccc4)c3OC3=C2C(=O)CCC3)cc1	ZINC000018196904	557248319	/nfs/dbraw/zinc/24/83/19/557248319.db2.gz	VVZJJOOVIGABQJ-VWLOTQADSA-N	0	0	426.516	5.336	50	30		IKEARN
O=c1[nH][nH]c2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018196408	557248345	/nfs/dbraw/zinc/24/83/45/557248345.db2.gz	OSLRUHKYCJWBAF-FVMDXXJSSA-N	0	0	432.332	5.442	50	30		IKEARN
O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Oc2ccccc2)c1	ZINC000018196609	557248438	/nfs/dbraw/zinc/24/84/38/557248438.db2.gz	YTTZVWJKAJHGPI-DEOSSOPVSA-N	0	0	449.510	5.522	50	30		IKEARN
Cc1nn(Cc2ccccc2)c2c1[C@H](c1c(Cl)cccc1Cl)C1=C(CCCC1=O)O2	ZINC000018197132	557248806	/nfs/dbraw/zinc/24/88/06/557248806.db2.gz	ZETNUWLLGHAJBB-HSZRJFAPSA-N	0	0	439.342	6.078	50	30		IKEARN
COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCC1=O)N2	ZINC000018199345	557251096	/nfs/dbraw/zinc/25/10/96/557251096.db2.gz	IWUHSSUOZXNABM-IBGZPJMESA-N	0	0	432.289	5.170	50	30		IKEARN
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(C[C@H](c3cccs3)CC1=O)N2	ZINC000018199723	557251181	/nfs/dbraw/zinc/25/11/81/557251181.db2.gz	VLYFPWGBPONZCI-UUOWRZLLSA-N	0	0	438.556	5.595	50	30		IKEARN
Cc1ccc(-c2nc(N=NCc3ccc(O)cc3)sc2NC(=O)c2ccccc2)cc1	ZINC000027015998	557253916	/nfs/dbraw/zinc/25/39/16/557253916.db2.gz	PRLGQWVAXSSDPZ-MFKUBSTISA-N	0	0	428.517	5.522	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1	ZINC000101095254	557254386	/nfs/dbraw/zinc/25/43/86/557254386.db2.gz	BMJZRDCNJYOZLV-PYCFMQQDSA-N	0	0	431.667	6.960	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCOCCCCCCCC	ZINC000100285230	557256500	/nfs/dbraw/zinc/25/65/00/557256500.db2.gz	GLKHOPCHMDXEEH-UHFFFAOYSA-N	0	0	439.769	8.741	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2Cl)cc1	ZINC000100283752	557256504	/nfs/dbraw/zinc/25/65/04/557256504.db2.gz	MTGIOMXUPRXOHO-UHFFFAOYSA-N	0	0	447.019	7.060	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCOc1ccc(OC)cc1	ZINC000100285238	557256577	/nfs/dbraw/zinc/25/65/77/557256577.db2.gz	BABHRLCGRKQWSP-UHFFFAOYSA-N	0	0	433.677	7.452	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)NCCOc2ccccc2OC)cc1	ZINC000100282453	557256594	/nfs/dbraw/zinc/25/65/94/557256594.db2.gz	DHLNUGKFHYEIJP-UHFFFAOYSA-N	0	0	442.600	6.415	50	30		IKEARN
O=[N+]([O-])c1ccc(CO/N=C2\CCC[C@H]3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]23)cc1	ZINC000100323262	557257786	/nfs/dbraw/zinc/25/77/86/557257786.db2.gz	LRZMINYCHKGPFT-MEPGZJLCSA-N	0	0	443.503	5.829	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1cc([N+](=O)[O-])ccc1Cl	ZINC000100418548	557260064	/nfs/dbraw/zinc/26/00/64/557260064.db2.gz	OJVLJJZJOORUKG-IBGZPJMESA-N	0	0	434.879	5.186	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(-c2ccccc2)cc1	ZINC000100414658	557260137	/nfs/dbraw/zinc/26/01/37/557260137.db2.gz	VJVHKTKWGJZVPO-AHKZPQOWSA-N	0	0	431.535	6.396	50	30		IKEARN
Clc1ccc(-c2nc3ccc(/N=C/c4cc5c(cc4Cl)OCO5)cc3o2)cc1Cl	ZINC000100501518	557262287	/nfs/dbraw/zinc/26/22/87/557262287.db2.gz	WQIOQJZAWYMGFX-YCPBAFNGSA-N	0	0	445.689	6.934	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@@H]1C(=O)c2ccccc2/C1=N/N=C/c1cccs1	ZINC000100490960	557262342	/nfs/dbraw/zinc/26/23/42/557262342.db2.gz	HVGXDJIYCGJBDN-UDJHQSBFSA-N	0	0	448.547	5.785	50	30		IKEARN
COc1ccc(Br)c(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O	ZINC000100504883	557262699	/nfs/dbraw/zinc/26/26/99/557262699.db2.gz	YWIDBSWEKJUWMH-YDZHTSKRSA-N	0	0	425.282	5.166	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccccc1	ZINC000101226865	557263773	/nfs/dbraw/zinc/26/37/73/557263773.db2.gz	WMOZZLXNNLEPKD-OVJLLXBISA-N	0	0	434.348	5.140	50	30		IKEARN
COc1cccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c1OC	ZINC000027533679	557264506	/nfs/dbraw/zinc/26/45/06/557264506.db2.gz	PFLQXVZPPGZHEZ-OVCLIPMQSA-N	0	0	442.846	5.268	50	30		IKEARN
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@H]1c1ccccc1F	ZINC000100557861	557264592	/nfs/dbraw/zinc/26/45/92/557264592.db2.gz	MWMIJAWLJKOUTF-CJAUYULYSA-N	0	0	449.522	5.149	50	30		IKEARN
O=C(C(c1ccccc1)c1ccccc1)[C@H]1C(=O)c2ccccc2/C1=N/N=C/c1ccccc1	ZINC000100563244	557264796	/nfs/dbraw/zinc/26/47/96/557264796.db2.gz	FNNVCCZQMAKZSJ-DPBVUEIWSA-N	0	0	442.518	5.724	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2C(F)(F)F)C2=C(CCCC2=O)N1	ZINC000027547478	557265201	/nfs/dbraw/zinc/26/52/01/557265201.db2.gz	YGEOQAWOJJVWSR-OAQYLSRUSA-N	0	0	444.428	5.451	50	30		IKEARN
CCCCCCCC(=O)N[C@@H](NC(=S)Nc1ccccc1C)C(Cl)(Cl)Cl	ZINC000100611975	557266009	/nfs/dbraw/zinc/26/60/09/557266009.db2.gz	PFQDBCCUCKOIFO-INIZCTEOSA-N	0	0	438.852	5.454	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1ccc(Br)cc1	ZINC000101284418	557267378	/nfs/dbraw/zinc/26/73/78/557267378.db2.gz	HYFINDSUFXJXER-IBGZPJMESA-N	0	0	447.377	5.233	50	30		IKEARN
CCCCCCCCOC(=O)C1C(C)=Nc2ncnn2[C@H]1c1cccc(Br)c1	ZINC000101284697	557267638	/nfs/dbraw/zinc/26/76/38/557267638.db2.gz	XVOQWIZSIDMNCI-IBGZPJMESA-N	0	0	447.377	5.233	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(N(C)C)cc1	ZINC000101285122	557267671	/nfs/dbraw/zinc/26/76/71/557267671.db2.gz	DQHQGHHKZDCYJW-VWLOTQADSA-N	0	0	446.595	5.905	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1OCC	ZINC000101285168	557267838	/nfs/dbraw/zinc/26/78/38/557267838.db2.gz	AIUDAQDZMIUZIS-VWLOTQADSA-N	0	0	447.579	6.238	50	30		IKEARN
CCCCCCCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1OCC	ZINC000101285166	557267973	/nfs/dbraw/zinc/26/79/73/557267973.db2.gz	AIUDAQDZMIUZIS-RUZDIDTESA-N	0	0	447.579	6.238	50	30		IKEARN
CCCn1c2cc(C(F)(F)F)ccc2nc1S[C@H](C)C(=O)Nc1ccccc1C#N	ZINC000011021912	557269230	/nfs/dbraw/zinc/26/92/30/557269230.db2.gz	JPMOLIKQJUFYDQ-CYBMUJFWSA-N	0	0	432.471	5.456	50	30		IKEARN
CN(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1	ZINC000000826386	557270356	/nfs/dbraw/zinc/27/03/56/557270356.db2.gz	NPRCYLGGABEMQH-ZMOGYAJESA-N	0	0	436.309	5.780	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Br)cc1	ZINC000000830031	557272702	/nfs/dbraw/zinc/27/27/02/557272702.db2.gz	DGVQUIVMQBNTKQ-TZIWHRDSSA-N	0	0	434.333	5.491	50	30		IKEARN
CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)s1)Nc1ccccc1-2	ZINC000100792561	557276239	/nfs/dbraw/zinc/27/62/39/557276239.db2.gz	QCUABLRJAKZXDL-FQEVSTJZSA-N	0	0	426.611	6.474	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(-c2cc(=O)n(C)n2C)cc1	ZINC000100813107	557276430	/nfs/dbraw/zinc/27/64/30/557276430.db2.gz	SNLJVPGSYSHNPJ-UHFFFAOYSA-N	0	0	428.661	7.251	50	30		IKEARN
CC(=O)c1ccc(NC(=O)CC2SC(=Nc3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000100959293	557280080	/nfs/dbraw/zinc/28/00/80/557280080.db2.gz	FJNMRFSIFOTQDI-GOTSBPSXSA-N	0	0	443.528	5.054	50	30		IKEARN
O=C(Nc1ccc(F)cc1F)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F	ZINC000101400740	557280126	/nfs/dbraw/zinc/28/01/26/557280126.db2.gz	IWKBJNPPADJZCC-UHFFFAOYSA-N	0	0	435.274	5.440	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	ZINC000101014022	557281165	/nfs/dbraw/zinc/28/11/65/557281165.db2.gz	ABLUJDWBVAMHQJ-UHFFFAOYSA-N	0	0	431.539	8.474	50	30		IKEARN
CCCCCCCCCCCCCCCCOC(=O)CSc1nc2ccccc2[nH]1	ZINC000101015309	557281455	/nfs/dbraw/zinc/28/14/55/557281455.db2.gz	PBSVARYGNXLKEB-UHFFFAOYSA-N	0	0	432.674	7.680	50	30		IKEARN
CCCCCCCc1nc(C#N)c(N=NCc2ccc(OCCCC)c(OCC)c2)o1	ZINC000101411357	557284375	/nfs/dbraw/zinc/28/43/75/557284375.db2.gz	LFLKGGQHEVPVQW-NLRVBDNBSA-N	0	0	426.561	6.083	50	30		IKEARN
Cc1ccc(C)c([C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1	ZINC000000830371	557286240	/nfs/dbraw/zinc/28/62/40/557286240.db2.gz	OQZASONRRBHPCD-PFBJBMPXSA-N	0	0	429.523	5.588	50	30		IKEARN
COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1	ZINC000101315501	557290064	/nfs/dbraw/zinc/29/00/64/557290064.db2.gz	JNAAZPVXVYVNER-PEECDGGASA-N	0	0	431.319	5.224	50	30		IKEARN
CCOC(=O)c1sc2c(c1C)[C@H](c1ccc3c(c1)OCO3)C1=C(CC(C)(C)CC1=O)N2	ZINC000014066217	557295032	/nfs/dbraw/zinc/29/50/32/557295032.db2.gz	ZCBFXFOIOCFPBC-IBGZPJMESA-N	0	0	439.533	5.163	50	30		IKEARN
CCCCCCCCCCCCS(=O)(=O)N/N=C1/N(CC)c2ccccc2C1(C)C	ZINC000102096065	557298954	/nfs/dbraw/zinc/29/89/54/557298954.db2.gz	DOHUPDBBIHLCMC-WJTDDFOZSA-N	0	0	435.678	5.958	50	30		IKEARN
Cc1cc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)ccc1Br	ZINC000100101038	557298965	/nfs/dbraw/zinc/29/89/65/557298965.db2.gz	RIABNPBZNAIZIF-BRJLIKDPSA-N	0	0	432.720	6.880	50	30		IKEARN
CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)c1ccc(C#N)cc1	ZINC000014085575	557299036	/nfs/dbraw/zinc/29/90/36/557299036.db2.gz	LINMLGBTERPYEX-UHFFFAOYSA-N	0	0	440.934	5.396	50	30		IKEARN
Cc1cc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000102417610	557301874	/nfs/dbraw/zinc/30/18/74/557301874.db2.gz	XONFRYCWKCCEQZ-DHRITJCHSA-N	0	0	433.851	6.306	50	30		IKEARN
COc1cc(/N=C/c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1	ZINC000102417224	557301900	/nfs/dbraw/zinc/30/19/00/557301900.db2.gz	UBRRZMIJUNROLO-AFUMVMLFSA-N	0	0	449.304	6.207	50	30		IKEARN
CCCCCCCCCCOc1ccc(NC(=O)Nc2cccc(C3OCCO3)c2)cc1	ZINC000102453870	557302440	/nfs/dbraw/zinc/30/24/40/557302440.db2.gz	OWDSEBUYFVQYLU-UHFFFAOYSA-N	0	0	440.584	6.896	50	30		IKEARN
CCCN1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1	ZINC000102643499	557304597	/nfs/dbraw/zinc/30/45/97/557304597.db2.gz	IVLPLGXVTUYFOW-PZGXJGMVSA-N	0	0	438.571	6.479	50	30		IKEARN
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)C=CNc1ccc(Br)cc1	ZINC000100109130	557304808	/nfs/dbraw/zinc/30/48/08/557304808.db2.gz	FXWLSQIMOYUMDX-ZHACJKMWSA-N	0	0	433.758	6.343	50	30		IKEARN
COc1ccc(C2=NN([C@H](C#N)c3ccc(OC)c(OC)c3)[C@H](c3ccccc3)C2)cc1	ZINC000102960395	557311088	/nfs/dbraw/zinc/31/10/88/557311088.db2.gz	KYNOUCMSUPMWLO-BJKOFHAPSA-N	0	0	427.504	5.128	50	30		IKEARN
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1	ZINC000002842043	557313421	/nfs/dbraw/zinc/31/34/21/557313421.db2.gz	MQCUGHOMRDCERI-OAQYLSRUSA-N	0	0	444.512	5.181	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\c4ccccc4N(C)C3=O)C(=O)N2c2ccc(C)cc2)cc1	ZINC000103151172	557313510	/nfs/dbraw/zinc/31/35/10/557313510.db2.gz	YWMICQGFRCHBFS-QHZZAZJUSA-N	0	0	439.540	5.459	50	30		IKEARN
Cc1cccc(N=C2C=C(NS(=O)(=O)c3ccc(Cl)cc3)c3ccccc3C2=O)c1	ZINC000103321585	557314664	/nfs/dbraw/zinc/31/46/64/557314664.db2.gz	BBXRIIAIOYPUKD-QLYXXIJNSA-N	0	0	436.920	5.019	50	30		IKEARN
CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/c1ccc2c(c1)OCCO2	ZINC000100117644	557314956	/nfs/dbraw/zinc/31/49/56/557314956.db2.gz	VHXBRGQYPOBSKD-YBNBZSSTSA-N	0	0	438.527	5.414	50	30		IKEARN
O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2	ZINC000103583441	557316747	/nfs/dbraw/zinc/31/67/47/557316747.db2.gz	PGQWBKKVGGWYCG-OYKKKHCWSA-N	0	0	439.378	6.392	50	30		IKEARN
O=c1c(C=[NH+]C2CCCCCCC2)c(-c2ccccc2)[n-]n1-c1nc2ccccc2s1	ZINC000102261300	557316948	/nfs/dbraw/zinc/31/69/48/557316948.db2.gz	LCOQGMQPGYDEEH-YZSQISJMSA-N	0	0	430.577	5.974	50	30		IKEARN
COc1ccc(-c2nc3cc(C)ccc3o2)cc1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000103760945	557318230	/nfs/dbraw/zinc/31/82/30/557318230.db2.gz	IUCQQKDEQJTAID-BHGWPJFGSA-N	0	0	431.404	5.199	50	30		IKEARN
CCc1ccccc1NC(=NC(=O)c1cccc(Cl)c1)NCc1c(C)nn(CC)c1C	ZINC000032971694	557319508	/nfs/dbraw/zinc/31/95/08/557319508.db2.gz	FMOZUCSJFIJFRS-UHFFFAOYSA-N	0	0	437.975	5.134	50	30		IKEARN
C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCCc3ccccc3)C2=O)cc1OC	ZINC000002815604	557325524	/nfs/dbraw/zinc/32/55/24/557325524.db2.gz	RSMVCGOMBPLBOA-HKWRFOASSA-N	0	0	443.952	5.583	50	30		IKEARN
N#Cc1cccc(Cn2c(CN3CCCCC3)nc3scc(-c4cccs4)c3c2=O)c1	ZINC000014242605	557327765	/nfs/dbraw/zinc/32/77/65/557327765.db2.gz	MOEWTDMLSRXXEF-UHFFFAOYSA-N	0	0	446.601	5.092	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000102483599	557330716	/nfs/dbraw/zinc/33/07/16/557330716.db2.gz	PBFONPZZAZUSLC-ZHHPLPSFSA-N	0	0	426.516	5.314	50	30		IKEARN
CCCCC(NCCc1c(C)[nH]c2ccccc21)=C1C(=O)CC(c2ccccc2)CC1=O	ZINC000100146924	557335182	/nfs/dbraw/zinc/33/51/82/557335182.db2.gz	GWZIXCSOKOIGMM-UHFFFAOYSA-N	0	0	428.576	5.769	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccccc2)cc1	ZINC000102495652	557335636	/nfs/dbraw/zinc/33/56/36/557335636.db2.gz	NWZPFVLGNMYBSF-MRJHHRETSA-N	0	0	426.497	5.231	50	30		IKEARN
COc1ccccc1NC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C#N)c1C	ZINC000000838409	557339755	/nfs/dbraw/zinc/33/97/55/557339755.db2.gz	FQLGDXDFPWGNGF-UHFFFAOYSA-N	0	0	425.897	5.095	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)sc1C	ZINC000102520857	557352656	/nfs/dbraw/zinc/35/26/56/557352656.db2.gz	IGKKIKNXSKMWIB-HOGKFDNTSA-N	0	0	446.572	5.818	50	30		IKEARN
Cc1ccc(N(CCC#N)C(=O)[C@H](C)Sc2nc(C)nc3sc4c(c32)CCC4)cc1	ZINC000023406861	557352823	/nfs/dbraw/zinc/35/28/23/557352823.db2.gz	HMDBGICISPUTHV-HNNXBMFYSA-N	0	0	436.606	5.224	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4cccs4)[C@H]3c3ccccc3)sc2c1	ZINC000102527632	557353778	/nfs/dbraw/zinc/35/37/78/557353778.db2.gz	YLYSEOKMGHQHQR-LFVOPCPISA-N	0	0	432.526	5.293	50	30		IKEARN
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000102586965	557356111	/nfs/dbraw/zinc/35/61/11/557356111.db2.gz	QCSDCGJXIZDHRH-MOBKVPTQSA-N	0	0	449.934	5.852	50	30		IKEARN
CN(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1	ZINC000102603013	557358248	/nfs/dbraw/zinc/35/82/48/557358248.db2.gz	JGIXGZPRIAAVOA-MOBKVPTQSA-N	0	0	432.907	5.032	50	30		IKEARN
COc1ccc(OC)c(-c2cccc(-c3ccc(NC(=O)c4cccc(C#N)c4)cc3)n2)c1	ZINC000023461295	557360906	/nfs/dbraw/zinc/36/09/06/557360906.db2.gz	LKDSIEBIFOSULW-UHFFFAOYSA-N	0	0	435.483	5.557	50	30		IKEARN
Cc1ccc(-c2ccc(CCC(=O)NCc3ccco3)n2-c2ccc(CC#N)cc2)c(C)c1	ZINC000023455051	557362189	/nfs/dbraw/zinc/36/21/89/557362189.db2.gz	LHCPFFMJPSMLJS-UHFFFAOYSA-N	0	0	437.543	5.669	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1OC	ZINC000102667368	557362673	/nfs/dbraw/zinc/36/26/73/557362673.db2.gz	XSBXVKJSHYYEQI-AYWGPLOBSA-N	0	0	437.536	5.014	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(=O)C(=C([O-])c4ccc(C)o4)[C@@H]3c3ccc(C)o3)sc2c1	ZINC000102693934	557364566	/nfs/dbraw/zinc/36/45/66/557364566.db2.gz	FBLPMMQKFOSGMI-NHFXJNLRSA-N	0	0	448.500	5.288	50	30		IKEARN
CCOc1ccc2ncc(C#N)c(N3CCC(C(=O)Nc4ccc(C(C)C)cc4)CC3)c2c1	ZINC000044167710	557365247	/nfs/dbraw/zinc/36/52/47/557365247.db2.gz	NTNLPAHRLIVOKJ-UHFFFAOYSA-N	0	0	442.563	5.484	50	30		IKEARN
COc1cccc(C(=O)C2=C(O)C(=O)N(c3ccccn3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1	ZINC000102705128	557366032	/nfs/dbraw/zinc/36/60/32/557366032.db2.gz	ILMUDAQOQIFPLP-ZHHPLPSFSA-N	0	0	442.515	5.014	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102706628	557366841	/nfs/dbraw/zinc/36/68/41/557366841.db2.gz	DHLXSACORIPVNB-MOBKVPTQSA-N	0	0	430.504	5.215	50	30		IKEARN
COC(=O)C[C@H]1c2cccnc2Oc2ccc3c(c21)O/C(=C\c1ccc(C(C)C)cc1)C3=O	ZINC000524730585	557369151	/nfs/dbraw/zinc/36/91/51/557369151.db2.gz	OFKGYDCNJYZQLI-CWGWECIMSA-N	0	0	441.483	5.622	50	30	biogenic	IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3cc4ccccc4o3)[C@@H]2c2ccc(C(C)C)cc2)no1	ZINC000102728712	557370511	/nfs/dbraw/zinc/37/05/11/557370511.db2.gz	YQYVRQNEOWQWCO-AYWGPLOBSA-N	0	0	442.471	5.479	50	30		IKEARN
CCOc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)ccc1O	ZINC000100223297	557372008	/nfs/dbraw/zinc/37/20/08/557372008.db2.gz	BKSBJZRIXRIOKB-LMTJQJACSA-N	0	0	444.556	5.464	50	30		IKEARN
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2ccc(C(C)(C)C)cc2)no1	ZINC000102714329	557374451	/nfs/dbraw/zinc/37/44/51/557374451.db2.gz	FFAXGXFFLXBTER-MRJHHRETSA-N	0	0	434.467	5.046	50	30		IKEARN
COc1cc(C(=O)/C(=C\c2ccc(C)cc2)c2nc3ccccc3o2)cc(OC)c1OC	ZINC000033920711	557384037	/nfs/dbraw/zinc/38/40/37/557384037.db2.gz	XGLXGSZNGFDZKV-CPNJWEJPSA-N	0	0	429.472	5.586	50	30		IKEARN
COC(=O)c1ccc(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1	ZINC000003113203	557385139	/nfs/dbraw/zinc/38/51/39/557385139.db2.gz	COCYCKVUHGDJMU-BRJLIKDPSA-N	0	0	425.271	6.339	50	30		IKEARN
N#Cc1c(SC/C=C\c2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000102784832	557387887	/nfs/dbraw/zinc/38/78/87/557387887.db2.gz	IDFYAPSUCOWTBB-YWEYNIOJSA-N	0	0	428.557	7.293	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102799496	557389895	/nfs/dbraw/zinc/38/98/95/557389895.db2.gz	OHNABPLQJBPFML-JBCNATCCSA-N	0	0	448.544	5.292	50	30		IKEARN
O=C(c1cccs1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Cl)c(Cl)c1	ZINC000102802891	557391296	/nfs/dbraw/zinc/39/12/96/557391296.db2.gz	LIPAXNJFABKUHE-SELCWUDQSA-N	0	0	445.327	5.072	50	30		IKEARN
CCOc1ccc(/N=C2/S/C(=C\c3cc(C)n(-c4cccnc4)c3C)C(=O)N2CC)cc1	ZINC000100259607	557396173	/nfs/dbraw/zinc/39/61/73/557396173.db2.gz	VSSYOJGSZNFLTL-GOESLVMASA-N	0	0	446.576	5.512	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(F)cc4)[C@H]3c3ccccc3)sc2c1	ZINC000102873916	557396246	/nfs/dbraw/zinc/39/62/46/557396246.db2.gz	DDQXZYQKEWLMJM-JBCNATCCSA-N	0	0	444.487	5.370	50	30		IKEARN
C=CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1	ZINC000013955925	557397780	/nfs/dbraw/zinc/39/77/80/557397780.db2.gz	MMXCMHHSPYZXCI-UHFFFAOYSA-N	0	0	440.572	5.897	50	30		IKEARN
COc1cc(/C=C2/CC/C(=C/c3cc(Cl)c(OC)c(OC)c3)C2=O)cc(Cl)c1OC	ZINC000033437939	557397937	/nfs/dbraw/zinc/39/79/37/557397937.db2.gz	SIGQVFHJILUFKR-DUGOVBPYSA-N	0	0	449.330	5.858	50	30		IKEARN
O=C1N(c2ccccc2)/C(=N/C23CC4CC(CC(C4)C2)C3)[C@H]([NH+]2CCCC2)C12CCCCC2	ZINC000033435809	557398015	/nfs/dbraw/zinc/39/80/15/557398015.db2.gz	WOMTWXKWWUQOJQ-ISNHSLPUSA-N	0	0	445.651	5.815	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl	ZINC000102859685	557399813	/nfs/dbraw/zinc/39/98/13/557399813.db2.gz	UWMZZDQZVQILKT-JBCNATCCSA-N	0	0	448.862	5.183	50	30		IKEARN
Cc1ccc(CN2c3ccccc3C(=NNc3c(Cl)cc(Cl)cc3Cl)C2=O)cc1	ZINC000100322671	557399937	/nfs/dbraw/zinc/39/99/37/557399937.db2.gz	CUYMDWRPOWQJBT-LHLOQNFPSA-N	0	0	444.749	6.318	50	30		IKEARN
O=C(Nc1ccc(Cl)cc1)C(N=Nc1ccc(Cl)cc1)=NNc1ccc(Cl)cc1	ZINC000100401549	557402044	/nfs/dbraw/zinc/40/20/44/557402044.db2.gz	LRVSHCOCHAACCB-WYKZTKDVSA-N	0	0	446.725	6.795	50	30		IKEARN
O=C(C=CNc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1	ZINC000100401627	557402095	/nfs/dbraw/zinc/40/20/95/557402095.db2.gz	QGNAOXHJIRRLGN-ZHACJKMWSA-N	0	0	432.734	7.034	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000102862254	557402861	/nfs/dbraw/zinc/40/28/61/557402861.db2.gz	IUMNLIPDPAHJGZ-AYWGPLOBSA-N	0	0	431.488	5.034	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2nc3ccc(F)cc3s2)cc1	ZINC000102865455	557404262	/nfs/dbraw/zinc/40/42/62/557404262.db2.gz	OQGFORKXTOCTTI-MRJHHRETSA-N	0	0	444.487	5.370	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccc(F)cc3s2)[C@@H]1c1ccccc1)c1ccccc1	ZINC000102866508	557404335	/nfs/dbraw/zinc/40/43/35/557404335.db2.gz	SBBXHXHFEBWASW-YDJIHCHBSA-N	0	0	430.460	5.062	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc(Cl)cc1)C1=C(C[C@H](c3ccco3)CC1=O)N2	ZINC000102882307	557408368	/nfs/dbraw/zinc/40/83/68/557408368.db2.gz	RNPXVCHPKMMSBO-OYHNWAKOSA-N	0	0	427.887	6.469	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nc(C)c(C)s3)[C@@H]2c2ccc(C)cc2)cc1	ZINC000102925308	557409754	/nfs/dbraw/zinc/40/97/54/557409754.db2.gz	YZYOGDQIWSWHSP-JBCNATCCSA-N	0	0	448.544	5.093	50	30		IKEARN
COc1cc([C@H]2C3=C(NC4=C2C(=O)CC(C)(C)C4)c2ccccc2C3=O)cc(OC)c1OC	ZINC000102926262	557410112	/nfs/dbraw/zinc/41/01/12/557410112.db2.gz	RGTFLSSVQLDBIG-OAQYLSRUSA-N	0	0	445.515	5.490	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C	ZINC000102927746	557410376	/nfs/dbraw/zinc/41/03/76/557410376.db2.gz	XFPDXDFVYXJGAY-MRJHHRETSA-N	0	0	446.572	5.684	50	30		IKEARN
Oc1ccc(/N=C/C=C/c2cccc(Br)c2)cc1-c1nc2ccccc2s1	ZINC000100497211	557410560	/nfs/dbraw/zinc/41/05/60/557410560.db2.gz	AZIFYQDMFJNOQK-UAZDYKOFSA-N	0	0	435.346	6.847	50	30		IKEARN
N#CC1(C#N)[C@@H]2C=Cc3ccccc3N2[C@H](C(=O)c2ccc(F)cc2)[C@H]1c1cccs1	ZINC000033554776	557411142	/nfs/dbraw/zinc/41/11/42/557411142.db2.gz	YXTPEHBSPSFMKJ-ZRBLBEILSA-N	0	0	425.488	5.171	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2Cl)cc1Cl	ZINC000102930994	557412589	/nfs/dbraw/zinc/41/25/89/557412589.db2.gz	HJHGJWDSOMTVAL-MRJHHRETSA-N	0	0	438.310	5.928	50	30		IKEARN
Cc1cc2sc(N3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3ccccc3)nc2c(C)c1	ZINC000102932773	557413080	/nfs/dbraw/zinc/41/30/80/557413080.db2.gz	RLERMIWFBYDRCK-ASBZNUFUSA-N	0	0	430.485	5.132	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)Cc1csc(-c3ccc(Cl)cc3Cl)n1)CCC2	ZINC000061111995	557413225	/nfs/dbraw/zinc/41/32/25/557413225.db2.gz	XXBKCSXNILFYCM-UHFFFAOYSA-N	0	0	434.373	5.720	50	30		IKEARN
NC1=C(c2nc3ccccc3s2)C(=O)[C@@H](c2ccccc2)N1CCc1ccc(Cl)cc1	ZINC000102948889	557413637	/nfs/dbraw/zinc/41/36/37/557413637.db2.gz	BFEJYERATGLZED-JOCHJYFZSA-N	0	0	445.975	5.446	50	30		IKEARN
CCCCCCCCCCCC(=O)N(CC(=O)Nc1cc(C)on1)CC1CCCCC1	ZINC000102999677	557415132	/nfs/dbraw/zinc/41/51/32/557415132.db2.gz	RAQOUSHRGVONMY-UHFFFAOYSA-N	0	0	433.637	6.251	50	30		IKEARN
CCCCCCCCCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1cc(C)on1	ZINC000103000683	557415178	/nfs/dbraw/zinc/41/51/78/557415178.db2.gz	RVKJHBUCMVHTMB-UHFFFAOYSA-N	0	0	435.653	6.497	50	30		IKEARN
CCCCCCCCCCCCCC(=O)NCc1ccc(-c2ccccc2)c2ccncc12	ZINC000103000854	557415181	/nfs/dbraw/zinc/41/51/81/557415181.db2.gz	QSVIOXVEEQGFTL-UHFFFAOYSA-N	0	0	444.663	8.219	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccc(F)cc1)C(C)C	ZINC000102990942	557415648	/nfs/dbraw/zinc/41/56/48/557415648.db2.gz	YFTABQKCPPTMNK-UHFFFAOYSA-N	0	0	446.632	6.014	50	30		IKEARN
CCCCCCCC(=O)N(Cc1ccc(F)cc1)Cc1ccc(OS(=O)(=O)CC)cc1	ZINC000102991553	557415731	/nfs/dbraw/zinc/41/57/31/557415731.db2.gz	UMCXXWZUXHLONC-UHFFFAOYSA-N	0	0	449.588	5.444	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(Cc1cccs1)Cc1ccccc1)C1CC1	ZINC000102991135	557415734	/nfs/dbraw/zinc/41/57/34/557415734.db2.gz	RDUJPMCUQVCNGF-UHFFFAOYSA-N	0	0	426.626	5.628	50	30		IKEARN
CCCCCCCC(=O)N(CC(=O)N(Cc1sccc1C)Cc1ccccc1)C1CC1	ZINC000102991139	557415753	/nfs/dbraw/zinc/41/57/53/557415753.db2.gz	HCPKDCYANODJAE-UHFFFAOYSA-N	0	0	440.653	5.937	50	30		IKEARN
CCCCCCCOc1ccc(C(=O)N2CCC(c3cn(C)c4ccc(C)cc34)CC2)cc1	ZINC000103016927	557416419	/nfs/dbraw/zinc/41/64/19/557416419.db2.gz	SZIIFWLXRGJEFM-UHFFFAOYSA-N	0	0	446.635	6.856	50	30		IKEARN
CCCCCCCCC(=O)N(CC(=O)N(Cc1cccn1C)Cc1ccccc1)C1CC1	ZINC000103405685	557435923	/nfs/dbraw/zinc/43/59/23/557435923.db2.gz	FEKQMACXKKZJSJ-UHFFFAOYSA-N	0	0	437.628	5.296	50	30		IKEARN
Cc1ccc(SC2=C/C(=N/S(=O)(=O)c3cc(C)ccc3C)c3ccccc3C2=O)cc1	ZINC000103746860	557441179	/nfs/dbraw/zinc/44/11/79/557441179.db2.gz	ZFRALANELFGRLF-ROMGYVFFSA-N	0	0	447.581	5.662	50	30		IKEARN
O=C1/C(=C\c2ccc(Cl)cc2Cl)CCCC/C1=C/c1ccc(Cl)cc1Cl	ZINC000103871260	557441978	/nfs/dbraw/zinc/44/19/78/557441978.db2.gz	RVCZFIMQQWQFTP-VULZFCBJSA-N	0	0	426.170	7.910	50	30		IKEARN
O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1	ZINC000103847883	557442128	/nfs/dbraw/zinc/44/21/28/557442128.db2.gz	GWJRFJYXWFNIAX-HNENSFHCSA-N	0	0	425.915	7.608	50	30		IKEARN
Brc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)cc1	ZINC000012123542	557528038	/nfs/dbraw/zinc/52/80/38/557528038.db2.gz	MZLYJDQTRITRKC-UHFFFAOYSA-N	0	0	437.160	5.781	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@@H]3c2ccccc2Cl)cc1C	ZINC000044858934	557538072	/nfs/dbraw/zinc/53/80/72/557538072.db2.gz	AZLORJPHXQEAOE-QHCPKHFHSA-N	0	0	446.938	5.428	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3c(C(=O)Nc4ccccc4)cnn32)cc1	ZINC000044858817	557538091	/nfs/dbraw/zinc/53/80/91/557538091.db2.gz	MMRRFQVNMZCMQB-QHCPKHFHSA-N	0	0	426.520	5.102	50	30		IKEARN
CCc1ccc([C@H]2C3C(=O)CCCC3=Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1	ZINC000044859018	557538324	/nfs/dbraw/zinc/53/83/24/557538324.db2.gz	BGSVWTIYZFRPOW-DEOSSOPVSA-N	0	0	426.520	5.028	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CC(C)(C)CC(=O)C2[C@H]3c2ccccc2C)cc1	ZINC000044859382	557538494	/nfs/dbraw/zinc/53/84/94/557538494.db2.gz	FIZDVYYNKNRNCE-XMMPIXPASA-N	0	0	440.547	5.410	50	30		IKEARN
Cc1ccc(NC(=O)c2cnn3c2N=C2CCCC(=O)C2[C@H]3c2ccc(Cl)cc2)cc1C	ZINC000044859309	557538564	/nfs/dbraw/zinc/53/85/64/557538564.db2.gz	PKLYIZKICICVOF-HSZRJFAPSA-N	0	0	446.938	5.428	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3c(C(=O)Nc4ccccc4)cnn3[C@H]2c2ccc(Cl)cc2)C1	ZINC000044859233	557538575	/nfs/dbraw/zinc/53/85/75/557538575.db2.gz	OOEODYTVDKWZEP-QFIPXVFZSA-N	0	0	446.938	5.447	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3)nc(N)c1[C@@H]2c1cccs1	ZINC000044973616	557541696	/nfs/dbraw/zinc/54/16/96/557541696.db2.gz	RSXMWSWDELGHFV-LJQANCHMSA-N	0	0	448.617	5.613	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=NC(=O)c2ccc(OC)c(OC)c2)NCc2ccncc2)cc1	ZINC000045940377	557548862	/nfs/dbraw/zinc/54/88/62/557548862.db2.gz	NZUGZJNIBOSLPW-SFHVURJKSA-N	0	0	446.551	5.010	50	30		IKEARN
CC[C@H](C)c1ccc(NC(=NCc2ccncc2)NC(=O)c2ccc(F)c(Cl)c2)cc1	ZINC000045940432	557548870	/nfs/dbraw/zinc/54/88/70/557548870.db2.gz	ABKPMXPREWLUPG-INIZCTEOSA-N	0	0	438.934	5.595	50	30		IKEARN
CCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc([C@@H](C)CC)cc2)cc1	ZINC000045940397	557548888	/nfs/dbraw/zinc/54/88/88/557548888.db2.gz	QPMQWDBMOYDOTH-IBGZPJMESA-N	0	0	430.552	5.392	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)SC1=S	ZINC000002977724	557656479	/nfs/dbraw/zinc/65/64/79/557656479.db2.gz	CYBJUOYFIFZCOW-IWIPYMOSSA-N	0	0	440.593	6.230	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@@H](c1ccc(N(CCC)CCC)cc1)Nc1ccccc1-2	ZINC000002978062	557666621	/nfs/dbraw/zinc/66/66/21/557666621.db2.gz	ZKKNTWLVCALTMT-QHCPKHFHSA-N	0	0	447.608	5.946	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SC[C@@H]1COc2ccccc2O1	ZINC000000851159	557830329	/nfs/dbraw/zinc/83/03/29/557830329.db2.gz	PEQIIJIMSHPZBD-HNNXBMFYSA-N	0	0	428.435	5.571	50	30		IKEARN
N#C[C@]1(C(=O)Nc2ccc(Nc3ccccc3)cc2)CC2c3ccccc3C1c1ccccc12	ZINC000000850342	557830656	/nfs/dbraw/zinc/83/06/56/557830656.db2.gz	MZHSLOSHZGMASS-BDCLJRGUSA-N	0	0	441.534	6.560	50	30		IKEARN
Cc1c(/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C	ZINC000000852002	557830986	/nfs/dbraw/zinc/83/09/86/557830986.db2.gz	YNWCYTDBTOASTG-MZJWZYIUSA-N	0	0	425.410	5.514	50	30		IKEARN
CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc2c(c1)OCO2	ZINC000000854104	557831005	/nfs/dbraw/zinc/83/10/05/557831005.db2.gz	BYIRBTICBVTIIR-DEOSSOPVSA-N	0	0	432.520	5.214	50	30	biogenic	IKEARN
Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12	ZINC000000858988	557831617	/nfs/dbraw/zinc/83/16/17/557831617.db2.gz	PPJFANUQDXSZTQ-NFSQQYCZSA-N	0	0	426.516	5.656	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000253501158	560038854	/nfs/dbraw/zinc/03/88/54/560038854.db2.gz	UOCUEIOMIAYZNI-REUPPRSCSA-N	0	0	428.613	5.468	50	30	biogenic,in-vitro	IKEARN
C=CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1	ZINC000001034730	562920108	/nfs/dbraw/zinc/92/01/08/562920108.db2.gz	FXDZKNUOWHTUJT-UHFFFAOYSA-N	0	0	446.557	5.646	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccccc2F)nc(-c2cccs2)cc1C(F)(F)F	ZINC000001215624	562920993	/nfs/dbraw/zinc/92/09/93/562920993.db2.gz	IBOSBZHLMPPZOS-UHFFFAOYSA-N	0	0	437.443	5.570	50	30		IKEARN
C=CCn1c(=O)c2c(nc1SCc1ccccc1)-c1ccccc1CC21CCCCC1	ZINC000001794885	562924651	/nfs/dbraw/zinc/92/46/51/562924651.db2.gz	KSEGLGJSSBNJML-UHFFFAOYSA-N	0	0	428.601	6.147	50	30	biogenic	IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(Br)cc3)sc2C1	ZINC000002082040	562925699	/nfs/dbraw/zinc/92/56/99/562925699.db2.gz	GINRSMLGSRKRLT-AWEZNQCLSA-N	0	0	431.399	6.176	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccnc2Cl)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002626101	562928667	/nfs/dbraw/zinc/92/86/67/562928667.db2.gz	BNECKOINJCNNCK-UHFFFAOYSA-N	0	0	441.988	5.208	50	30		IKEARN
Cn1nc(C(F)(F)F)c(/C=N/OC(=O)c2ccccc2)c1Sc1ccc(Cl)cc1	ZINC000003052414	562932344	/nfs/dbraw/zinc/93/23/44/562932344.db2.gz	RIHNDAULZBHZKY-BHGWPJFGSA-N	0	0	439.846	5.434	50	30		IKEARN
N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cc3ccccc3o2)n1	ZINC000003372227	562935002	/nfs/dbraw/zinc/93/50/02/562935002.db2.gz	OSMHXMASHJDOCM-UHFFFAOYSA-N	0	0	435.281	5.225	50	30		IKEARN
C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccccc3)c3cc(Cl)c(O)cc3O2)N1	ZINC000003671903	562937653	/nfs/dbraw/zinc/93/76/53/562937653.db2.gz	NYARXXACJSSEKL-UZUQRXQVSA-N	0	0	428.985	5.703	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(-c2ccccc2)nc1S(=O)(=O)Cc1ccc(F)cc1	ZINC000006181447	562946387	/nfs/dbraw/zinc/94/63/87/562946387.db2.gz	IHFYMLJXXMZEMN-UHFFFAOYSA-N	0	0	432.520	5.516	50	30		IKEARN
COc1ccc2ccccc2c1[C@H]1N=C(SCc2ccc(F)cc2)NC(C)=C1C(C)=O	ZINC000008424861	562949354	/nfs/dbraw/zinc/94/93/54/562949354.db2.gz	NOBPYJFWIRGTQQ-DEOSSOPVSA-N	0	0	434.536	5.784	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c2C#N)cc1	ZINC000008590156	562951484	/nfs/dbraw/zinc/95/14/84/562951484.db2.gz	HAOAGNMKVDOQGF-UHFFFAOYSA-N	0	0	445.441	5.817	50	30		IKEARN
Cc1ccc(C(=O)/C=C/c2cn(C[C@H](O)CN3CCc4ccccc43)c3ccccc23)cc1	ZINC000008611809	562958771	/nfs/dbraw/zinc/95/87/71/562958771.db2.gz	SACYANIVAVEYTE-LECGRMGRSA-N	0	0	436.555	5.269	50	30		IKEARN
FC(F)(F)c1cccc(Oc2ccc3c(n2)nc(C(F)(F)F)cc3C(F)(F)F)c1	ZINC000008681169	562961627	/nfs/dbraw/zinc/96/16/27/562961627.db2.gz	PADXYYGFOOEZSF-UHFFFAOYSA-N	0	0	426.238	6.479	50	30		IKEARN
CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(C#N)c2)[C@H]1c1cccs1	ZINC000009433195	562970852	/nfs/dbraw/zinc/97/08/52/562970852.db2.gz	YEBLZTWALSQZMT-DHIUTWEWSA-N	0	0	429.545	5.195	50	30		IKEARN
CN1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C/c2cccc(Br)c2)C1	ZINC000033692503	563084623	/nfs/dbraw/zinc/08/46/23/563084623.db2.gz	KHBXHLSTIOLHQI-GONBZBRSSA-N	0	0	447.170	5.193	50	30		IKEARN
COc1ccc(C[NH+]=C(C)c2c(=O)n(-c3nc4ccccc4s3)[n-]c2C(F)(F)F)cc1	ZINC000097967090	563200367	/nfs/dbraw/zinc/20/03/67/563200367.db2.gz	LRTNLTFTYFUQPS-BRJLIKDPSA-N	0	0	446.454	5.224	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc1	ZINC000097967102	568615482	/nfs/dbraw/zinc/61/54/82/568615482.db2.gz	DEGBJJIGYOULQQ-XLNRJJMWSA-N	0	0	426.557	6.457	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(C[C@H]1CCCO1)C1=C(C(=O)CC(C)(C)C1)C2c1ccccc1O	ZINC000000902510	568636388	/nfs/dbraw/zinc/63/63/88/568636388.db2.gz	JBDPQRRMJBNPBM-QGZVFWFLSA-N	0	0	449.591	5.257	50	30		IKEARN
CCOC(=O)c1ccc2c(c1)nc(SCc1ccccc1C#N)n2Cc1cccc(F)c1	ZINC000025143885	568639964	/nfs/dbraw/zinc/63/99/64/568639964.db2.gz	JWDRXYJELIQBJC-UHFFFAOYSA-N	0	0	445.519	5.564	50	30		IKEARN
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2ccccc2F)c1-c1ccc(C#N)cc1	ZINC000025144379	568640744	/nfs/dbraw/zinc/64/07/44/568640744.db2.gz	AOHXYPINWNNLEE-UHFFFAOYSA-N	0	0	441.506	6.208	50	30		IKEARN
Cc1cc(OCc2ccccc2)c(C(=O)[C@H]2O[C@H]2c2csc(-c3ccccc3)n2)cc1C	ZINC000000945296	568643364	/nfs/dbraw/zinc/64/33/64/568643364.db2.gz	NFMZZNWEHXESRO-IZZNHLLZSA-N	0	0	441.552	6.329	50	30		IKEARN
CN1c2ccccc2S/C1=C/C(=O)CCCCC(=O)/C=C1/Sc2ccccc2N1C	ZINC000211028037	568644626	/nfs/dbraw/zinc/64/46/26/568644626.db2.gz	HNDDHEMDAHTJRE-DFEHQXHXSA-N	0	0	436.602	5.852	50	30		IKEARN
CC(=O)/N=C1\NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)S1	ZINC000000968958	568647255	/nfs/dbraw/zinc/64/72/55/568647255.db2.gz	JOTJXTUQXLFDJK-UWVJOHFNSA-N	0	0	444.343	5.103	50	30		IKEARN
COC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc32)c(C#N)c1C	ZINC000000996140	568648252	/nfs/dbraw/zinc/64/82/52/568648252.db2.gz	IIAGDACGXBCXJP-UHFFFAOYSA-N	0	0	431.473	5.084	50	30		IKEARN
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3sc4c(c3C#N)CCCC4)o2)c1	ZINC000000998156	568648262	/nfs/dbraw/zinc/64/82/62/568648262.db2.gz	ZIUIEXMWJMNWCL-UHFFFAOYSA-N	0	0	434.561	6.355	50	30		IKEARN
N#Cc1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4c(F)cccc4Cl)C3=O)o2)cc1	ZINC000000981448	568648754	/nfs/dbraw/zinc/64/87/54/568648754.db2.gz	KSEKEIZJSKVVQT-JMIUGGIZSA-N	0	0	438.867	5.847	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000000988717	568649051	/nfs/dbraw/zinc/64/90/51/568649051.db2.gz	APCLDDMGYLAZJK-CUYJMHBOSA-N	0	0	437.524	5.167	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1	ZINC000000989249	568649085	/nfs/dbraw/zinc/64/90/85/568649085.db2.gz	IWPHIAJEQFKOPY-UHFFFAOYSA-N	0	0	434.464	5.684	50	30		IKEARN
CN(C(=O)CSc1nc(-c2ccccc2)cc(-c2ccco2)c1C#N)c1ccccc1	ZINC000000999249	568649547	/nfs/dbraw/zinc/64/95/47/568649547.db2.gz	RVURBWHWYDWEJL-UHFFFAOYSA-N	0	0	425.513	5.635	50	30		IKEARN
CCOC(=O)c1sc(NC(=O)c2ccc(COc3ccc(C)c(C)c3)o2)c(C#N)c1C	ZINC000000998314	568649561	/nfs/dbraw/zinc/64/95/61/568649561.db2.gz	WLBMUFXBPATAGL-UHFFFAOYSA-N	0	0	438.505	5.146	50	30		IKEARN
Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)n1	ZINC000001030387	568653774	/nfs/dbraw/zinc/65/37/74/568653774.db2.gz	QNXSERSNWPPBTJ-UHFFFAOYSA-N	0	0	436.540	5.722	50	30		IKEARN
N#Cc1c(F)cccc1N(Cc1cccnc1)C(=S)Nc1ccc(Cl)c(Cl)c1	ZINC000001048678	568653903	/nfs/dbraw/zinc/65/39/03/568653903.db2.gz	PYZKESKTGKTNID-UHFFFAOYSA-N	0	0	431.323	5.803	50	30		IKEARN
CCOC(=O)c1c(C)c(C#N)c(NC(=O)c2ccc(Cl)cc2Cl)n1-c1ccccc1	ZINC000001046973	568653946	/nfs/dbraw/zinc/65/39/46/568653946.db2.gz	AQJQACKGHYNUCJ-UHFFFAOYSA-N	0	0	442.302	5.393	50	30		IKEARN
N#Cc1c(OCC(F)(F)F)ccc(SCC(=O)c2ccccc2)c1OCC(F)(F)F	ZINC000001040830	568654095	/nfs/dbraw/zinc/65/40/95/568654095.db2.gz	NKSZIWFPGFKVPO-UHFFFAOYSA-N	0	0	449.372	5.415	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(F)cc2)nsc1SCC(=O)c1ccc(F)cc1	ZINC000001045466	568654106	/nfs/dbraw/zinc/65/41/06/568654106.db2.gz	IECBSRBZPZTUKJ-UHFFFAOYSA-N	0	0	446.525	5.243	50	30		IKEARN
CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2C#N)CC1	ZINC000001072800	568654682	/nfs/dbraw/zinc/65/46/82/568654682.db2.gz	JUSCRIJDNSNCQI-UHFFFAOYSA-N	0	0	429.383	5.307	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c1C#N	ZINC000001073486	568654734	/nfs/dbraw/zinc/65/47/34/568654734.db2.gz	HYDGSNIAIWJAEE-UHFFFAOYSA-N	0	0	426.545	5.970	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2cc(-c3ccncc3)nc3c(C)c(C)ccc23)c1C#N	ZINC000001068315	568655606	/nfs/dbraw/zinc/65/56/06/568655606.db2.gz	BDFQKDUIMPIAOK-UHFFFAOYSA-N	0	0	426.545	5.970	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccc(Br)cc1Cl	ZINC000001079882	568657001	/nfs/dbraw/zinc/65/70/01/568657001.db2.gz	DEMUMECVKQQPIA-LBPRGKRZSA-N	0	0	436.758	5.692	50	30		IKEARN
N#Cc1ccc(-c2ccc(OCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)cc2)cc1	ZINC000025424839	568657448	/nfs/dbraw/zinc/65/74/48/568657448.db2.gz	LHJXPGMKENRDSJ-UHFFFAOYSA-N	0	0	431.706	6.203	50	30		IKEARN
COc1cc(C2=C3C(=O)CC(C)(C)C[C@@H]3Nc3ccc4ncccc4c32)ccc1OC(C)=O	ZINC000001072440	568657669	/nfs/dbraw/zinc/65/76/69/568657669.db2.gz	ZYXMJPUTWGUMEF-FQEVSTJZSA-N	0	0	442.515	5.154	50	30		IKEARN
N#Cc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Br)cc2)cc1	ZINC000001120972	568660159	/nfs/dbraw/zinc/66/01/59/568660159.db2.gz	LOPVJMSFQKBHKZ-UHFFFAOYSA-N	0	0	448.349	5.256	50	30		IKEARN
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1	ZINC000001103542	568660404	/nfs/dbraw/zinc/66/04/04/568660404.db2.gz	LZEHYRKJLJNDJP-HSZRJFAPSA-N	0	0	444.506	5.297	50	30		IKEARN
CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	ZINC000001145234	568661111	/nfs/dbraw/zinc/66/11/11/568661111.db2.gz	JYUVZCUGGYUEOC-WMZOPIPTSA-N	0	0	444.569	5.829	50	30		IKEARN
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3nc(-c4ccc5ccccc5c4)oc3c1)OCO2	ZINC000015133610	568663828	/nfs/dbraw/zinc/66/38/28/568663828.db2.gz	FJAYYOBNIXPJNY-LGJNPRDNSA-N	0	0	437.411	6.036	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1cccc(CCc2ccccn2)c1	ZINC000001160511	568663988	/nfs/dbraw/zinc/66/39/88/568663988.db2.gz	ZOCXOGCTSFVDBW-UHFFFAOYSA-N	0	0	435.552	6.142	50	30		IKEARN
N#Cc1ccccc1CN1CCCN(c2cccc(NC(=O)c3ccccc3Cl)c2)C1=O	ZINC000034735399	568737589	/nfs/dbraw/zinc/73/75/89/568737589.db2.gz	JMXANVDPNVAKBI-UHFFFAOYSA-N	0	0	444.922	5.296	50	30		IKEARN
C=CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2	ZINC000001821946	568741688	/nfs/dbraw/zinc/74/16/88/568741688.db2.gz	CKFBEFCPOOEJPY-UHFFFAOYSA-N	0	0	430.573	5.554	50	30		IKEARN
CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OCCC)cc1	ZINC000002066840	568742574	/nfs/dbraw/zinc/74/25/74/568742574.db2.gz	LEWAGCDJPBWOJU-QHCPKHFHSA-N	0	0	425.569	5.423	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)c3ccccc3Oc3ccccc3)s2)cc1	ZINC000003323912	568746016	/nfs/dbraw/zinc/74/60/16/568746016.db2.gz	QDEOUVOIXCJZRL-UHFFFAOYSA-N	0	0	444.541	5.747	50	30		IKEARN
C=CCSc1nnc(NC(=O)CCN2c3ccccc3Sc3ccccc32)s1	ZINC000003431782	568749014	/nfs/dbraw/zinc/74/90/14/568749014.db2.gz	FRPBZZFCVYJVTA-UHFFFAOYSA-N	0	0	426.592	5.448	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1C1CCCCC1	ZINC000003433676	568749405	/nfs/dbraw/zinc/74/94/05/568749405.db2.gz	HIRCSJDLYBKVKG-UHFFFAOYSA-N	0	0	434.993	5.213	50	30		IKEARN
C=CCOc1ccc(C(=O)Nc2c3ccccc3oc2C(=O)c2ccc(Cl)cc2)cc1	ZINC000003655451	568752964	/nfs/dbraw/zinc/75/29/64/568752964.db2.gz	DWKPTNDODJAHJV-UHFFFAOYSA-N	0	0	431.875	6.134	50	30		IKEARN
CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1	ZINC000003666440	568753916	/nfs/dbraw/zinc/75/39/16/568753916.db2.gz	ZQGOIHPVFKKDCR-LFVJCYFKSA-N	0	0	444.556	5.864	50	30		IKEARN
CC(C)(C)C1=CC2(C=C(C(C)(C)C)C1=O)Nc1cc(Cl)ccc1O[C@@H]2c1ccccc1	ZINC000003668705	568754124	/nfs/dbraw/zinc/75/41/24/568754124.db2.gz	ACYKWABLGUABAR-XMMPIXPASA-N	0	0	435.995	7.152	50	30		IKEARN
CC(N=Nc1nc2ccccc2n1Cc1ccccc1)N=Nc1ccc(Br)cc1	ZINC000003944784	568755086	/nfs/dbraw/zinc/75/50/86/568755086.db2.gz	KGJOXUUCOZFXIN-HJSWUCLESA-N	0	0	447.340	6.376	50	30		IKEARN
O=C(/C=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	ZINC000004118322	568758498	/nfs/dbraw/zinc/75/84/98/568758498.db2.gz	RZVWOBYKWHSBLJ-LZWSPWQCSA-N	0	0	433.312	5.657	50	30		IKEARN
O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1	ZINC000031854463	568758507	/nfs/dbraw/zinc/75/85/07/568758507.db2.gz	LAJCVTZFNQXPLE-OYKKKHCWSA-N	0	0	430.489	5.743	50	30		IKEARN
O=[N+]([O-])c1ccc(/N=C/c2ccc(C#Cc3ccc(-c4ccccc4)cc3)cc2)c(Cl)c1	ZINC000004017672	568758530	/nfs/dbraw/zinc/75/85/30/568758530.db2.gz	GKAWLAILRMFUEH-VUTHCHCSSA-N	0	0	436.898	7.066	50	30		IKEARN
N#Cc1ccc(Oc2ccccc2-c2ccccc2Oc2ccc(C#N)c(C#N)c2)cc1C#N	ZINC000001233134	568758546	/nfs/dbraw/zinc/75/85/46/568758546.db2.gz	HWLBSWFURYESCV-UHFFFAOYSA-N	0	0	438.446	6.425	50	30		IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000004027531	568758895	/nfs/dbraw/zinc/75/88/95/568758895.db2.gz	UOCUEIOMIAYZNI-NKLALCCJSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1	ZINC000004027530	568758907	/nfs/dbraw/zinc/75/89/07/568758907.db2.gz	UOCUEIOMIAYZNI-DFYREPLXSA-N	0	0	428.613	5.468	50	30	biogenic	IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(C)cc2)cc1	ZINC000004048245	568759868	/nfs/dbraw/zinc/75/98/68/568759868.db2.gz	FPATUPQCSJXTIT-SLJQUXCSSA-N	0	0	443.597	6.482	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	ZINC000004062256	568760029	/nfs/dbraw/zinc/76/00/29/568760029.db2.gz	RPJYQERFYOCLIV-WINIVTDRSA-N	0	0	444.962	6.718	50	30		IKEARN
O=C(c1ccc(Cl)cc1)C1=CN(c2cccc(F)c2)c2cc(F)ccc2S1(=O)=O	ZINC000263616722	568776913	/nfs/dbraw/zinc/77/69/13/568776913.db2.gz	KEXVCQFFPJYXCU-UHFFFAOYSA-N	0	0	431.847	5.268	50	30		IKEARN
C=CCn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3	ZINC000001297724	568778769	/nfs/dbraw/zinc/77/87/69/568778769.db2.gz	GSAJOYCTDXCTOH-SFHVURJKSA-N	0	0	426.607	5.076	50	30		IKEARN
Cc1cc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1	ZINC000083309858	568779501	/nfs/dbraw/zinc/77/95/01/568779501.db2.gz	ALIODALURXVDNP-SRZZPIQSSA-N	0	0	439.943	6.087	50	30		IKEARN
Clc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3s2)c(Cl)c1	ZINC000004133067	568781302	/nfs/dbraw/zinc/78/13/02/568781302.db2.gz	VGRAYMLUGFWSIZ-WYMPLXKRSA-N	0	0	428.344	6.628	50	30		IKEARN
Cc1ccc(-n2c(=O)c3c4c(sc3nc2N/N=C\c2ccccc2)COC(C)(C)C4)cc1	ZINC000032120400	568781764	/nfs/dbraw/zinc/78/17/64/568781764.db2.gz	JVVBGAUUMSLVNP-WGARJPEWSA-N	0	0	444.560	5.053	50	30		IKEARN
COc1ccc2c(c1)CC[C@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@H]21	ZINC000012719941	568782853	/nfs/dbraw/zinc/78/28/53/568782853.db2.gz	SDYMIDMUFXWPCF-NHTHQGPPSA-N	0	0	438.514	6.415	50	30		IKEARN
CCCCOc1ccc(C(=O)N=C(NCc2ccncc2)Nc2ccc(CC)cc2)cc1	ZINC000045940352	568783603	/nfs/dbraw/zinc/78/36/03/568783603.db2.gz	RAXPGZDWLVBIBN-UHFFFAOYSA-N	0	0	430.552	5.221	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@@H](c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2	ZINC000001384528	568784239	/nfs/dbraw/zinc/78/42/39/568784239.db2.gz	IERBLXBUYYMVPN-JOCHJYFZSA-N	0	0	444.487	5.096	50	30		IKEARN
O=C1c2ccccc2C2=C1[C@H](c1ccc3c(c1)OCO3)N=C(SCc1ccccc1F)N2	ZINC000001384527	568784297	/nfs/dbraw/zinc/78/42/97/568784297.db2.gz	IERBLXBUYYMVPN-QFIPXVFZSA-N	0	0	444.487	5.096	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Cl)cc2)cc1F	ZINC000016731114	568792562	/nfs/dbraw/zinc/79/25/62/568792562.db2.gz	UTPRYMKBYHTWKB-HXUWFJFHSA-N	0	0	425.843	5.159	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3)C3=C2CC(C)(C)CC3=O)s1	ZINC000001421901	568793200	/nfs/dbraw/zinc/79/32/00/568793200.db2.gz	NWKGFKGZRJFJDX-OAHLLOKOSA-N	0	0	427.595	5.202	50	30		IKEARN
CC(C)Sc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1	ZINC000001423605	568793558	/nfs/dbraw/zinc/79/35/58/568793558.db2.gz	HIOLYXVTOUANHY-CQSZACIVSA-N	0	0	445.585	5.341	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2cccc(Cl)c2Cl)S/C1=N/c1ccccc1C	ZINC000105003891	568793564	/nfs/dbraw/zinc/79/35/64/568793564.db2.gz	ADNVSXDVQBDWNQ-UFGLDMCJSA-N	0	0	448.375	5.448	50	30		IKEARN
O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2	ZINC000001424709	568793748	/nfs/dbraw/zinc/79/37/48/568793748.db2.gz	WGADOOZKZYOCEQ-LMKMVOKYSA-N	0	0	436.467	5.515	50	30		IKEARN
N#Cc1c2c(sc1N1C(=O)C[C@H](c3ccc(F)cc3)C3=C1CCCC3=O)CCCCCC2	ZINC000001429598	568794328	/nfs/dbraw/zinc/79/43/28/568794328.db2.gz	ZEFVFTZAZMPPCK-LJQANCHMSA-N	0	0	448.563	5.945	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@@H]2c1ccc(F)cc1	ZINC000001429659	568794472	/nfs/dbraw/zinc/79/44/72/568794472.db2.gz	BRYSJWLHPYPQGP-GOSISDBHSA-N	0	0	448.563	5.801	50	30		IKEARN
COc1ccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1OC	ZINC000001431055	568794513	/nfs/dbraw/zinc/79/45/13/568794513.db2.gz	KIYJJXRAVPWJGD-ZMOGYAJESA-N	0	0	437.293	6.025	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)N(c1sc3c(c1C#N)CCCC3)C(=O)C[C@H]2c1cccs1	ZINC000001430887	568794517	/nfs/dbraw/zinc/79/45/17/568794517.db2.gz	IRGBDBQSGKBNNT-HNNXBMFYSA-N	0	0	436.602	5.724	50	30		IKEARN
CCc1ccc([C@H]2CC(=O)N(c3sc4c(c3C#N)CCCCC4)C3=C2C(=O)CCC3)cc1	ZINC000001432337	568795127	/nfs/dbraw/zinc/79/51/27/568795127.db2.gz	IJVGFXGSURVCEL-HXUWFJFHSA-N	0	0	444.600	5.979	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4C)nc3c2)c1O	ZINC000001435016	568795882	/nfs/dbraw/zinc/79/58/82/568795882.db2.gz	XLXGZQTVYLVWPF-WYMPLXKRSA-N	0	0	437.293	6.031	50	30		IKEARN
C=CCN(C(=O)c1ccc(SCc2csc(C)n2)cc1)c1nc2c(s1)CCCC2	ZINC000084274886	568796713	/nfs/dbraw/zinc/79/67/13/568796713.db2.gz	TZEAOYPCQCFPRV-UHFFFAOYSA-N	0	0	441.647	5.912	50	30		IKEARN
O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4ccc(F)cc4Cl)nc3c1)OCO2	ZINC000001435202	568798837	/nfs/dbraw/zinc/79/88/37/568798837.db2.gz	ZYGUDOOMVKWSOX-PGGKNCGUSA-N	0	0	439.786	5.675	50	30		IKEARN
C=CCNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)cc1	ZINC000084638139	568799437	/nfs/dbraw/zinc/79/94/37/568799437.db2.gz	BLTIHWGPYWAVMY-FQEVSTJZSA-N	0	0	431.458	5.380	50	30		IKEARN
C=CCc1c(C)nc(Sc2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)[nH]c1=O	ZINC000003856138	568803613	/nfs/dbraw/zinc/80/36/13/568803613.db2.gz	HPTNAWQFGGONEB-UHFFFAOYSA-N	0	0	435.936	5.532	50	30		IKEARN
COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)ccc1OC(=O)C(C)C	ZINC000001439923	568804779	/nfs/dbraw/zinc/80/47/79/568804779.db2.gz	BOTROSLQYSNYBY-HHHXNRCGSA-N	0	0	441.527	6.083	50	30		IKEARN
C=CCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3	ZINC000008432065	568812884	/nfs/dbraw/zinc/81/28/84/568812884.db2.gz	JQHKDFZWAHJFST-OAHLLOKOSA-N	0	0	440.634	5.885	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(CCC=C(C)C)C[C@@H]1C)Nc1ccccc1-2	ZINC000008452654	568812914	/nfs/dbraw/zinc/81/29/14/568812914.db2.gz	VFNQPQLDBNDLTA-MFSJNOQSSA-N	0	0	448.636	6.666	50	30		IKEARN
COc1cc(C(F)(F)F)nc2ccc(C#CCOC(=O)Nc3cccc(Cl)c3)cc21	ZINC000008648519	568815292	/nfs/dbraw/zinc/81/52/92/568815292.db2.gz	FQQWMDUBBKAWBZ-UHFFFAOYSA-N	0	0	434.801	5.516	50	30		IKEARN
C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccc2ncccc2c1	ZINC000008715183	568816093	/nfs/dbraw/zinc/81/60/93/568816093.db2.gz	WXSBEEZAIQYFKO-UHFFFAOYSA-N	0	0	427.360	6.278	50	30		IKEARN
C=CCOc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1	ZINC000008781479	568816276	/nfs/dbraw/zinc/81/62/76/568816276.db2.gz	VVFSOUCFJSKHDW-QOMWVZHYSA-N	0	0	430.507	6.239	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)sc2c1	ZINC000001450644	568818007	/nfs/dbraw/zinc/81/80/07/568818007.db2.gz	SQFGOWVGXSKYLP-NRFANRHFSA-N	0	0	444.512	5.543	50	30		IKEARN
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1	ZINC000001450491	568818055	/nfs/dbraw/zinc/81/80/55/568818055.db2.gz	GPZYWWTWTRLGPW-JOCHJYFZSA-N	0	0	446.503	5.072	50	30		IKEARN
CCc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccc(C)o4)[C@H]3c3ccccc3)sc2c1	ZINC000001450645	568818114	/nfs/dbraw/zinc/81/81/14/568818114.db2.gz	SQFGOWVGXSKYLP-OAQYLSRUSA-N	0	0	444.512	5.543	50	30		IKEARN
C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1OCc1ccccc1C#N	ZINC000009260932	568818428	/nfs/dbraw/zinc/81/84/28/568818428.db2.gz	PVCJOXXOGQHQPR-LPYMAVHISA-N	0	0	448.544	5.319	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1ccc(Cl)cc1	ZINC000009500061	568818896	/nfs/dbraw/zinc/81/88/96/568818896.db2.gz	VTMLKHLQEKTIMG-UHFFFAOYSA-N	0	0	441.000	5.858	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1OC	ZINC000009480082	568819031	/nfs/dbraw/zinc/81/90/31/568819031.db2.gz	QUWTZUIKMAMHDK-UHFFFAOYSA-N	0	0	442.972	5.141	50	30		IKEARN
CC1(C)CC(=O)C(c2cc(-c3ccccc3)n(-c3ccccc3N)c2-c2ccccc2)C(=O)C1	ZINC000006061931	568820409	/nfs/dbraw/zinc/82/04/09/568820409.db2.gz	GRZFLWGVLFRBJB-UHFFFAOYSA-N	0	0	448.566	7.052	50	30		IKEARN
CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1	ZINC000006077273	568821273	/nfs/dbraw/zinc/82/12/73/568821273.db2.gz	IROPHWKZMNPUBU-KOSHJBKYSA-N	0	0	441.556	5.143	50	30		IKEARN
CN(C)c1ccc([C@@H]2Nc3cc4ccccc4cc3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-]	ZINC000006077146	568821289	/nfs/dbraw/zinc/82/12/89/568821289.db2.gz	DRNJSODQIMEPOL-SANMLTNESA-N	0	0	441.531	6.124	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)SC1=S	ZINC000013546296	568824101	/nfs/dbraw/zinc/82/41/01/568824101.db2.gz	OWOMSCIWILFZOC-GZTJUZNOSA-N	0	0	448.978	5.787	50	30		IKEARN
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C	ZINC000013803636	568824141	/nfs/dbraw/zinc/82/41/41/568824141.db2.gz	HSMMODISRSTMKV-UHFFFAOYSA-N	0	0	436.581	5.008	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(=O)C2[C@H]1c1ccc(C)cc1	ZINC000001481046	568824565	/nfs/dbraw/zinc/82/45/65/568824565.db2.gz	MAZMYUIRJFIAFD-PIIWDFAUSA-N	0	0	440.518	6.055	50	30		IKEARN
C=CCn1c(C)nnc1SCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1	ZINC000013990113	568824743	/nfs/dbraw/zinc/82/47/43/568824743.db2.gz	GYVWJBYEPMLJMI-UHFFFAOYSA-N	0	0	435.578	5.088	50	30		IKEARN
Cc1c(Cl)cccc1NC(=NC(=O)c1ccc(F)cc1)NCCc1c[nH]c2ccccc12	ZINC000085581324	568825352	/nfs/dbraw/zinc/82/53/52/568825352.db2.gz	NMXMIARACFPANC-UHFFFAOYSA-N	0	0	448.929	5.709	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2cccc(F)c2)NCCc2c[nH]c3ccccc23)c1C	ZINC000085581400	568825374	/nfs/dbraw/zinc/82/53/74/568825374.db2.gz	JWWZQYODFIKTDU-UHFFFAOYSA-N	0	0	428.511	5.364	50	30		IKEARN
C=CCn1c(CN(C)Cc2cccc(-c3ccccc3C)c2)nnc1SC[C@@H]1CCCO1	ZINC000014994193	568827625	/nfs/dbraw/zinc/82/76/25/568827625.db2.gz	MNOYHYIPFMHJQF-QHCPKHFHSA-N	0	0	448.636	5.343	50	30		IKEARN
C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O	ZINC000001015276	568832776	/nfs/dbraw/zinc/83/27/76/568832776.db2.gz	KOFFAKITKZDDMI-HZHRSRAPSA-N	0	0	431.513	5.650	50	30		IKEARN
C=CCn1c(SCc2c(C)noc2C)nc2scc(-c3ccc(Cl)cc3)c2c1=O	ZINC000001098052	568832809	/nfs/dbraw/zinc/83/28/09/568832809.db2.gz	XJDBXVZCKXNGOH-UHFFFAOYSA-N	0	0	443.981	5.862	50	30		IKEARN
C=CCn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc(C)cc2c1=O	ZINC000001122215	568833119	/nfs/dbraw/zinc/83/31/19/568833119.db2.gz	STCHSXHAFZYGOS-UHFFFAOYSA-N	0	0	431.391	5.296	50	30		IKEARN
C#CCOc1nc(N(c2ccccc2)c2ccccc2)nc(-n2c(C)nc3ccccc32)n1	ZINC000001796020	568834092	/nfs/dbraw/zinc/83/40/92/568834092.db2.gz	USJZTYSDEILLFD-UHFFFAOYSA-N	0	0	432.487	5.001	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2	ZINC000001906490	568834318	/nfs/dbraw/zinc/83/43/18/568834318.db2.gz	CBMWTJIYKQXKJH-UHFFFAOYSA-N	0	0	426.585	5.691	50	30	biogenic	IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OCC)c1)Nc1ccccc1-2	ZINC000002073646	568834497	/nfs/dbraw/zinc/83/44/97/568834497.db2.gz	OXSLXYDRHPUFRX-LJQANCHMSA-N	0	0	442.928	5.078	50	30		IKEARN
C=CCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)N(C(C)=O)c1ccccc1-2	ZINC000002113705	568834535	/nfs/dbraw/zinc/83/45/35/568834535.db2.gz	URRABKAIJCGFKU-HSZRJFAPSA-N	0	0	448.548	5.050	50	30		IKEARN
C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O	ZINC000002099705	568834554	/nfs/dbraw/zinc/83/45/54/568834554.db2.gz	ZHMHTLPHAAKZPY-YVLHZVERSA-N	0	0	436.291	5.381	50	30		IKEARN
C#CCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2	ZINC000002117657	568834670	/nfs/dbraw/zinc/83/46/70/568834670.db2.gz	ISSYGQRVUKSIKP-UHFFFAOYSA-N	0	0	428.557	5.001	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1C	ZINC000002242072	568834826	/nfs/dbraw/zinc/83/48/26/568834826.db2.gz	NNJLNKZQJCJZME-UHFFFAOYSA-N	0	0	432.471	5.189	50	30		IKEARN
C=CCn1c(COc2ccc(Cl)cc2)nnc1SCc1c(Cl)cccc1Cl	ZINC000002240905	568834843	/nfs/dbraw/zinc/83/48/43/568834843.db2.gz	VWECLXQUTYPNPL-UHFFFAOYSA-N	0	0	440.783	6.296	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc([C@@H](C)CC)cc2)nnc1-c1ccccc1OC	ZINC000002200770	568834854	/nfs/dbraw/zinc/83/48/54/568834854.db2.gz	YNNYLZUSEGXQDF-KRWDZBQOSA-N	0	0	436.581	5.384	50	30		IKEARN
C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3	ZINC000002292163	568834873	/nfs/dbraw/zinc/83/48/73/568834873.db2.gz	ZBYISUQVRYYTTR-ZDUSSCGKSA-N	0	0	445.009	5.397	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1	ZINC000002240942	568834881	/nfs/dbraw/zinc/83/48/81/568834881.db2.gz	WPQCMZYUWUGHDU-UHFFFAOYSA-N	0	0	437.327	5.308	50	30		IKEARN
C=CCn1c(=O)c2c3c(sc2nc1SCc1cccc(C(F)(F)F)c1)CCCC3	ZINC000002336173	568835205	/nfs/dbraw/zinc/83/52/05/568835205.db2.gz	WFNWRFGXSIQSNH-UHFFFAOYSA-N	0	0	436.524	5.834	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1C	ZINC000002363366	568835241	/nfs/dbraw/zinc/83/52/41/568835241.db2.gz	RXOJLYHRDPPXLK-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccc(Cl)c1	ZINC000002447541	568835706	/nfs/dbraw/zinc/83/57/06/568835706.db2.gz	JSCSVCSBKMPVPP-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C)cc1	ZINC000002454164	568835989	/nfs/dbraw/zinc/83/59/89/568835989.db2.gz	JHHKYHRFIXQUHT-UHFFFAOYSA-N	0	0	433.364	5.477	50	30		IKEARN
COc1cc(Br)c(Br)c(/C=N/c2ccc(C)c(Cl)c2)c1O	ZINC000001509902	568836115	/nfs/dbraw/zinc/83/61/15/568836115.db2.gz	OQLIYUXTIFIWAA-FBCYGCLPSA-N	0	0	433.527	5.638	50	30		IKEARN
O=C(Nc1nnc(/N=C/c2ccc(Br)s2)s1)c1ccc(Cl)cc1	ZINC000001509847	568836123	/nfs/dbraw/zinc/83/61/23/568836123.db2.gz	PQBMTMGMALAKQZ-REZTVBANSA-N	0	0	427.736	5.018	50	30		IKEARN
Cc1ccnc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)c1	ZINC000018194228	568838238	/nfs/dbraw/zinc/83/82/38/568838238.db2.gz	MRRRBEAXPHDOCP-NRFANRHFSA-N	0	0	442.346	5.303	50	30		IKEARN
Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CCC3)[C@H]2c2ccc(Cl)cc2Cl)nc1	ZINC000027532839	568838568	/nfs/dbraw/zinc/83/85/68/568838568.db2.gz	DRPXVZFRVWTWGG-NRFANRHFSA-N	0	0	442.346	5.303	50	30		IKEARN
Cc1cccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccccc2Cl)n1	ZINC000027532735	568838587	/nfs/dbraw/zinc/83/85/87/568838587.db2.gz	IDVCFAKZRPSEMC-JOCHJYFZSA-N	0	0	435.955	5.286	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)Nc1ccccc1)[C@H]2c1ccco1	ZINC000015826246	568840709	/nfs/dbraw/zinc/84/07/09/568840709.db2.gz	GIPNFANJLQXWMG-DEOSSOPVSA-N	0	0	427.504	6.128	50	30		IKEARN
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OCc2ccc(F)cc2)c1	ZINC000025694982	568842772	/nfs/dbraw/zinc/84/27/72/568842772.db2.gz	DHFHSIULJLOUCM-XMMPIXPASA-N	0	0	449.522	5.182	50	30		IKEARN
C=C[C@@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1	ZINC000043762862	568843106	/nfs/dbraw/zinc/84/31/06/568843106.db2.gz	QRKKLUUKPHEPNI-MNAJGRROSA-N	0	0	436.658	5.855	50	30		IKEARN
C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@H]1C)C1SCCS1	ZINC000043762232	568843107	/nfs/dbraw/zinc/84/31/07/568843107.db2.gz	CPGWNLKFCZHRGO-JKMAKKBCSA-N	0	0	442.781	6.439	50	30		IKEARN
C=C[C@](C)(C[C@@H](O)[C@@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C1SCCS1	ZINC000043762233	568843110	/nfs/dbraw/zinc/84/31/10/568843110.db2.gz	CPGWNLKFCZHRGO-IAECCPNBSA-N	0	0	442.781	6.439	50	30		IKEARN
C=C[C@](C)(C[C@@H](O)[C@]1(C)C2=C(CCC23SCCS3)CC[C@@H]1C)C1SCCS1	ZINC000043762231	568843122	/nfs/dbraw/zinc/84/31/22/568843122.db2.gz	CPGWNLKFCZHRGO-AXNOTKAXSA-N	0	0	442.781	6.439	50	30		IKEARN
C=C[C@H](COCSC)C[C@@H](O)C[C@H](C)CC/C=C(\C)COCc1ccc(OC)cc1	ZINC000043762860	568843155	/nfs/dbraw/zinc/84/31/55/568843155.db2.gz	QRKKLUUKPHEPNI-PGAFUCCMSA-N	0	0	436.658	5.855	50	30		IKEARN
CCCCCCCCC(=O)N[C@@H](C(Cl)(Cl)Cl)S(=O)(=O)c1ccccc1	ZINC000100727515	568843306	/nfs/dbraw/zinc/84/33/06/568843306.db2.gz	NYIMPZNBVYBROG-MRXNPFEDSA-N	0	0	428.809	5.023	50	30		IKEARN
CCCCCCCCCCCCCCCCOc1ccc(S(=O)(=O)N(C)C)cc1N	ZINC000101016947	568843549	/nfs/dbraw/zinc/84/35/49/568843549.db2.gz	SIIVTNVVZIFVLS-UHFFFAOYSA-N	0	0	440.694	6.379	50	30		IKEARN
CCCCCCCCCCCCCCCCCCNC(=O)Nc1c(C)cccc1CC	ZINC000100856274	568843553	/nfs/dbraw/zinc/84/35/53/568843553.db2.gz	DJBNSRQICRBJIA-UHFFFAOYSA-N	0	0	430.721	8.940	50	30		IKEARN
C=C1C[C@@H]2[C@@H](C[C@H](C)[C@H]2OCc2ccc(OC)cc2)[C@@]2(O)[C@H]1C[C@@H]1C(C)(C)CC(=O)[C@@]12C	ZINC000071786756	568843556	/nfs/dbraw/zinc/84/35/56/568843556.db2.gz	QIHUPRXUAFZFNA-IDBUGFEZSA-N	0	0	438.608	5.185	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(-c2ccccc2)cc1	ZINC000101019755	568843707	/nfs/dbraw/zinc/84/37/07/568843707.db2.gz	BTRRJBQMDMYZLY-UHFFFAOYSA-N	0	0	435.696	9.554	50	30		IKEARN
C=CCNC(=O)[C@H](C)OC(=O)c1c2ccccc2nc2c1CCC/C2=C\c1cccs1	ZINC000015855601	568844986	/nfs/dbraw/zinc/84/49/86/568844986.db2.gz	BIPIQBZJHZFACR-UYTDBDHRSA-N	0	0	432.545	5.021	50	30		IKEARN
CCOc1ccc(Nc2c(Cc3ccccc3)c(C)c(C#N)c3nc4ccccc4n32)cc1	ZINC000006143202	568845251	/nfs/dbraw/zinc/84/52/51/568845251.db2.gz	JTJCHXCDPWBXQO-UHFFFAOYSA-N	0	0	432.527	6.401	50	30		IKEARN
O=C(/C=C/c1cc2ccccc2o1)c1cc(Br)ccc1OCc1ccccc1	ZINC000006148129	568846742	/nfs/dbraw/zinc/84/67/42/568846742.db2.gz	DHFSLMMZWIQXHD-VAWYXSNFSA-N	0	0	433.301	6.670	50	30		IKEARN
C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1csc2c1CC[C@H](C)C2	ZINC000017098720	568850801	/nfs/dbraw/zinc/85/08/01/568850801.db2.gz	HHPYCBDJNVOXNL-ZDUSSCGKSA-N	0	0	434.005	6.402	50	30		IKEARN
O=C(CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1)NC1CCCCCC1	ZINC000015867224	568850915	/nfs/dbraw/zinc/85/09/15/568850915.db2.gz	AMNUINMVOITLRY-AREMUKBSSA-N	0	0	433.552	5.099	50	30		IKEARN
C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc2c(c1)OCO2	ZINC000017099001	568851144	/nfs/dbraw/zinc/85/11/44/568851144.db2.gz	FFCDSDUTZZCIIW-UHFFFAOYSA-N	0	0	434.546	5.276	50	30		IKEARN
C=CCn1c(SCC(=O)NC2CCCC2)nnc1-c1csc(C)c1-c1ccccc1	ZINC000017102726	568851177	/nfs/dbraw/zinc/85/11/77/568851177.db2.gz	GKNKRMPKOLDLDP-UHFFFAOYSA-N	0	0	438.622	5.319	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1csc(C)c1	ZINC000017102205	568851258	/nfs/dbraw/zinc/85/12/58/568851258.db2.gz	SBWIACPFRAWYIX-UHFFFAOYSA-N	0	0	438.500	5.251	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(CCCOc3ccc(C)cc3)c3ccccc23)SC1=S	ZINC000019799516	568855011	/nfs/dbraw/zinc/85/50/11/568855011.db2.gz	IRRXSMCJLXUQLK-KQWNVCNZSA-N	0	0	448.613	5.806	50	30		IKEARN
C=CC[C@H](c1cccc(Cl)c1)N(CCCN1CCOCC1)C(=O)Nc1ccccc1	ZINC000019851490	568855372	/nfs/dbraw/zinc/85/53/72/568855372.db2.gz	HDXYEAZGUNXZCQ-HSZRJFAPSA-N	0	0	427.976	5.214	50	30		IKEARN
C=CCn1c(SCc2nnc(-c3c(C)onc3-c3ccccc3)o2)nnc1-c1ccco1	ZINC000023202074	568859414	/nfs/dbraw/zinc/85/94/14/568859414.db2.gz	SHJNPLQVRNZBQM-UHFFFAOYSA-N	0	0	446.492	5.030	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)c1nc2c(s1)CCCC2	ZINC000023653644	568860142	/nfs/dbraw/zinc/86/01/42/568860142.db2.gz	ZDEBPEPWGUAMGN-UHFFFAOYSA-N	0	0	446.985	5.037	50	30		IKEARN
COC(=O)c1ccc(/C=C/c2cc(-c3ccccc3)c(C#N)c3nc4ccccc4n32)cc1	ZINC000015981135	568861966	/nfs/dbraw/zinc/86/19/66/568861966.db2.gz	NTYBSZYEHYCYGQ-DTQAZKPQSA-N	0	0	429.479	5.983	50	30		IKEARN
C=CCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1OC	ZINC000027015750	568862956	/nfs/dbraw/zinc/86/29/56/568862956.db2.gz	DDQNIFKJTLUBNI-RQZHXJHFSA-N	0	0	441.556	5.896	50	30		IKEARN
C=CCN1C(=O)c2ccccc2[C@@H]1c1c2ccccc2[nH]c1-c1ccc(Cl)cc1Cl	ZINC000027489064	568863662	/nfs/dbraw/zinc/86/36/62/568863662.db2.gz	NGXZIJVSPYQWFT-XMMPIXPASA-N	0	0	433.338	6.873	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1	ZINC000016034260	568867590	/nfs/dbraw/zinc/86/75/90/568867590.db2.gz	TZXVUJFCIMGZSW-NXCFDTQHSA-N	0	0	449.485	5.119	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3F)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1	ZINC000016034262	568867681	/nfs/dbraw/zinc/86/76/81/568867681.db2.gz	TZXVUJFCIMGZSW-GSDHBNRESA-N	0	0	449.485	5.119	50	30		IKEARN
CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2sc3c(c2C#N)CCC3)cc1	ZINC000016161517	568872066	/nfs/dbraw/zinc/87/20/66/568872066.db2.gz	YTDWINQFWKKFPV-UHFFFAOYSA-N	0	0	428.557	5.720	50	30		IKEARN
C=CCOc1ccc(/C=C2\SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC	ZINC000016196190	568872406	/nfs/dbraw/zinc/87/24/06/568872406.db2.gz	WFPCETNNZLDDSG-ZDLGFXPLSA-N	0	0	436.316	5.808	50	30		IKEARN
Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)OC3CCCCC3)n2)cc1	ZINC000006246032	568880650	/nfs/dbraw/zinc/88/06/50/568880650.db2.gz	NQPRLWIAXBBGSA-UHFFFAOYSA-N	0	0	442.584	6.564	50	30		IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)cc1	ZINC000009433835	568883432	/nfs/dbraw/zinc/88/34/32/568883432.db2.gz	YQOXTSAJEXQPOE-HSZRJFAPSA-N	0	0	447.462	5.016	50	30		IKEARN
COc1cc(C(=O)/C=C/c2ccc(N(C)c3ccccc3)c([N+](=O)[O-])c2)cc(OC)c1OC	ZINC000013523682	568888518	/nfs/dbraw/zinc/88/85/18/568888518.db2.gz	LSWQYZBNXYWGQI-ACCUITESSA-N	0	0	448.475	5.285	50	30		IKEARN
CCCCCCCC(=O)NN1C(=O)/C(=C/c2ccc(Br)cc2)SC1=S	ZINC000001738075	568889403	/nfs/dbraw/zinc/88/94/03/568889403.db2.gz	JWFURPRJMADYPO-QINSGFPZSA-N	0	0	441.416	5.042	50	30		IKEARN
COc1ccc(Oc2ccc(/C=C/C(=O)c3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1	ZINC000016035564	568894071	/nfs/dbraw/zinc/89/40/71/568894071.db2.gz	LZOJAUBIMREAQP-WUXMJOGZSA-N	0	0	441.386	5.893	50	30		IKEARN
O=C(/C=C/c1ccc(Sc2ncccn2)c([N+](=O)[O-])c1)c1cc(Cl)ccc1Cl	ZINC000015979675	568894086	/nfs/dbraw/zinc/89/40/86/568894086.db2.gz	YGWPNMBKQYDKMF-QHHAFSJGSA-N	0	0	432.288	5.739	50	30		IKEARN
C=CCn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCC3	ZINC000001746349	568904206	/nfs/dbraw/zinc/90/42/06/568904206.db2.gz	RZMOXRKWUMFEPI-UHFFFAOYSA-N	0	0	440.634	5.601	50	30		IKEARN
CCCCCCOc1ccc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)cc1OC	ZINC000001769336	568905945	/nfs/dbraw/zinc/90/59/45/568905945.db2.gz	LERXWLIUWBKEHR-WYMLVPIESA-N	0	0	438.593	6.118	50	30		IKEARN
CCCCCCCOc1ccc(-c2nc(-c3ccc(Br)cc3)cc(=O)o2)cc1	ZINC000001827129	568915776	/nfs/dbraw/zinc/91/57/76/568915776.db2.gz	DMAZIQZNGDPDMI-UHFFFAOYSA-N	0	0	442.353	6.481	50	30		IKEARN
Cc1nc2sc3c(c2c(SCC(=O)Nc2sc4c(c2C#N)CCCC4)n1)CCC3	ZINC000001896199	568917608	/nfs/dbraw/zinc/91/76/08/568917608.db2.gz	LGRGDGBNQOPSST-UHFFFAOYSA-N	0	0	440.619	5.031	50	30		IKEARN
CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Oc2ccccc2)cc1	ZINC000026841466	568918068	/nfs/dbraw/zinc/91/80/68/568918068.db2.gz	BOMAOFOTBQZVIL-DEOSSOPVSA-N	0	0	443.499	5.394	50	30		IKEARN
CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1	ZINC000016575981	568921521	/nfs/dbraw/zinc/92/15/21/568921521.db2.gz	UPVPVPJSIQMNDG-UHFFFAOYSA-N	0	0	433.870	6.535	50	30		IKEARN
CCCCc1n[n-]c(=S)n1N=Cc1ccc(OCc2c(F)cccc2Cl)c(OC)c1	ZINC000001915878	568922483	/nfs/dbraw/zinc/92/24/83/568922483.db2.gz	VBRUEOPAWCRCPT-WYMPLXKRSA-N	0	0	448.951	5.546	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc(Cl)cc2c1OCOC2	ZINC000016577965	568922828	/nfs/dbraw/zinc/92/28/28/568922828.db2.gz	CKOVCUBTEMOSJB-VWLOTQADSA-N	0	0	445.946	6.669	50	30		IKEARN
O=[N+]([O-])c1cc(/N=C/c2ccc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)ccc1Cl	ZINC000001951253	568923722	/nfs/dbraw/zinc/92/37/22/568923722.db2.gz	YDFIIXUMXHTUDA-ASIDMNOUSA-N	0	0	443.246	6.311	50	30		IKEARN
COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2c(C#N)cnc3ccc(C)cc32)CC1	ZINC000064473920	568930041	/nfs/dbraw/zinc/93/00/41/568930041.db2.gz	FYKAUHPJXYCUIM-UHFFFAOYSA-N	0	0	448.954	5.240	50	30		IKEARN
CCCCCCCCN1c2ccccc2C(C)(C)[C@]12C=Nc1c(ccc3ccccc31)O2	ZINC000002025782	568931389	/nfs/dbraw/zinc/93/13/89/568931389.db2.gz	REKLLOKKSPBPBZ-GDLZYMKVSA-N	0	0	426.604	7.789	50	30		IKEARN
CCCCCCCCN1c2ccccc2C(C)(C)[C@@]12C=Nc1c(ccc3ccccc31)O2	ZINC000002025789	568931469	/nfs/dbraw/zinc/93/14/69/568931469.db2.gz	REKLLOKKSPBPBZ-LJAQVGFWSA-N	0	0	426.604	7.789	50	30		IKEARN
CCCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCCC	ZINC000002028929	568934599	/nfs/dbraw/zinc/93/45/99/568934599.db2.gz	SFQJTSIUDXSYRW-DEOSSOPVSA-N	0	0	439.596	5.813	50	30		IKEARN
O=C(Oc1ccc2ccccc2c1/C=N/NC(=S)Nc1ccccc1)c1ccccc1	ZINC000004231425	568939796	/nfs/dbraw/zinc/93/97/96/568939796.db2.gz	NHWUJCNIZBFDKH-YZSQISJMSA-N	0	0	425.513	5.380	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000006733084	568968512	/nfs/dbraw/zinc/96/85/12/568968512.db2.gz	NXIUQVDDGSOMDX-QFIPXVFZSA-N	0	0	427.548	5.848	50	30		IKEARN
Oc1ccccc1/C=N/[C@@H]1c2ccccc2O[C@@]2(/N=C/c3ccccc3O)CCCC[C@@H]12	ZINC000169684196	569000183	/nfs/dbraw/zinc/00/01/83/569000183.db2.gz	PPJFANUQDXSZTQ-INLZGFCBSA-N	0	0	426.516	5.656	50	30		IKEARN
CN(C)c1ccnc(Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c1C#N	ZINC000036382155	569092662	/nfs/dbraw/zinc/09/26/62/569092662.db2.gz	QJSOVYZFVSONJJ-UHFFFAOYSA-N	0	0	433.821	5.622	50	30		IKEARN
Cc1ccsc1CN(Cc1ccco1)c1oc(-c2cccc3ccccc32)nc1C#N	ZINC000170623783	569148415	/nfs/dbraw/zinc/14/84/15/569148415.db2.gz	ZLSFMDGGBCIDNP-UHFFFAOYSA-N	0	0	425.513	6.536	50	30		IKEARN
N#CCc1ccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1	ZINC000009910488	569150433	/nfs/dbraw/zinc/15/04/33/569150433.db2.gz	LZPHMDIMECNIGU-UHFFFAOYSA-N	0	0	436.587	5.664	50	30		IKEARN
COc1ccc(-c2c3c(N)c(C(=O)c4ccc(C)cc4)sc3nc(C)c2C#N)cc1OC	ZINC000009910400	569150475	/nfs/dbraw/zinc/15/04/75/569150475.db2.gz	ROJWOABUEYCKCF-UHFFFAOYSA-N	0	0	443.528	5.282	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1Sc1ccc([N+](=O)[O-])cc1C=O	ZINC000013573902	569155743	/nfs/dbraw/zinc/15/57/43/569155743.db2.gz	XVFPWLNDPFJZHP-UHFFFAOYSA-N	0	0	437.480	6.159	50	30		IKEARN
N#Cc1c(Sc2ccc(C=O)cc2[N+](=O)[O-])nc(-c2cccs2)cc1C(F)(F)F	ZINC000013574434	569155759	/nfs/dbraw/zinc/15/57/59/569155759.db2.gz	VLIYPCSEVDCHET-UHFFFAOYSA-N	0	0	435.408	5.572	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)n1	ZINC000013579597	569156299	/nfs/dbraw/zinc/15/62/99/569156299.db2.gz	RNYNJDQAANMJIG-UHFFFAOYSA-N	0	0	430.529	5.145	50	30		IKEARN
COc1ccc(-c2csc(N=NC3C[C@@H](c4ccccc4)Oc4ccc(C)cc43)n2)cc1	ZINC000013814904	569157297	/nfs/dbraw/zinc/15/72/97/569157297.db2.gz	YVCXIROPPVUFHA-VWLOTQADSA-N	0	0	441.556	6.467	50	30		IKEARN
CCOC(=O)CSc1nc(-c2ccc(Br)cc2)cc(C(F)(F)F)c1C#N	ZINC000016805582	569162168	/nfs/dbraw/zinc/16/21/68/569162168.db2.gz	QXVQUTAOHCJBPQ-UHFFFAOYSA-N	0	0	445.260	5.057	50	30		IKEARN
CCSc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)cc(C(F)(F)F)c1C#N	ZINC000016733344	569160475	/nfs/dbraw/zinc/16/04/75/569160475.db2.gz	DTXSQRYLIRHWEA-UHFFFAOYSA-N	0	0	448.897	6.983	50	30		IKEARN
CCOc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1	ZINC000016729031	569160508	/nfs/dbraw/zinc/16/05/08/569160508.db2.gz	UGBNZPZDBMGBRN-UHFFFAOYSA-N	0	0	448.897	6.983	50	30		IKEARN
O=C1/C(=C\c2ccc(Br)s2)CCC/C1=C/c1ccc(Br)s1	ZINC000020115365	569166358	/nfs/dbraw/zinc/16/63/58/569166358.db2.gz	TVEAESGOBIRZPF-WGEIWTTOSA-N	0	0	444.213	6.555	50	30		IKEARN
Cc1[nH]c2ccc(Cl)cc2c1CCNC(=S)Nc1ccc(OC(F)(F)F)cc1	ZINC000016977227	569168923	/nfs/dbraw/zinc/16/89/23/569168923.db2.gz	BSHOGHKHSCCABH-UHFFFAOYSA-N	0	0	427.879	5.969	50	30		IKEARN
O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1	ZINC000008984704	569174717	/nfs/dbraw/zinc/17/47/17/569174717.db2.gz	UIFYOTJHGRPWPN-VULFUBBASA-N	0	0	443.846	7.067	50	30		IKEARN
Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1sc2c(c1C#N)CCCCC2	ZINC000002081751	569177194	/nfs/dbraw/zinc/17/71/94/569177194.db2.gz	CULMPLVZYPQTPO-UHFFFAOYSA-N	0	0	437.568	6.665	50	30		IKEARN
Cc1cccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c3ccccc3n2)c1	ZINC000002082203	569177232	/nfs/dbraw/zinc/17/72/32/569177232.db2.gz	JYQLWEQFKRWXBZ-QGZVFWFLSA-N	0	0	437.568	6.521	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])sc2C1	ZINC000002086279	569177351	/nfs/dbraw/zinc/17/73/51/569177351.db2.gz	VQPVWWRIJNKDHO-LBPRGKRZSA-N	0	0	431.945	5.975	50	30		IKEARN
COc1cccc(OC)c1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(C(C)C)cc1)C2=O	ZINC000002098394	569179414	/nfs/dbraw/zinc/17/94/14/569179414.db2.gz	PBXOTQWYLMQFLF-OYKKKHCWSA-N	0	0	444.483	5.663	50	30	biogenic	IKEARN
COc1cccc(/C=C2\Oc3cc(OCc4ccc(Br)cc4)ccc3C2=O)c1	ZINC000002103695	569180058	/nfs/dbraw/zinc/18/00/58/569180058.db2.gz	IHRNXPJWAIMQEC-UUYOSTAYSA-N	0	0	437.289	5.653	50	30	biogenic	IKEARN
C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000002453564	569180867	/nfs/dbraw/zinc/18/08/67/569180867.db2.gz	OAUAVBCLGOXHET-UHFFFAOYSA-N	0	0	434.609	5.776	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(C)c(F)c2)SC1=S	ZINC000002533063	569180921	/nfs/dbraw/zinc/18/09/21/569180921.db2.gz	UHBOETHASHIRCZ-MOSHPQCFSA-N	0	0	435.549	5.374	50	30		IKEARN
C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F	ZINC000252448863	569183894	/nfs/dbraw/zinc/18/38/94/569183894.db2.gz	FHIHDASURXFVSB-OMSPMETCSA-N	0	0	444.585	7.913	50	30		IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3Cl)ccc2C1=O	ZINC000002128137	569184168	/nfs/dbraw/zinc/18/41/68/569184168.db2.gz	FRBVDOPMDIZHET-PSHHWHLWSA-N	0	0	444.870	5.883	50	30	biogenic	IKEARN
CCCCCCCOc1cccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)c1	ZINC000002138379	569185293	/nfs/dbraw/zinc/18/52/93/569185293.db2.gz	GZOLCLJYUZVNFN-HPXJJZNJSA-N	0	0	446.635	6.371	50	30	biogenic	IKEARN
C[C@@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O	ZINC000002135464	569185346	/nfs/dbraw/zinc/18/53/46/569185346.db2.gz	KYAGIFOYOBVIJX-PSHHWHLWSA-N	0	0	428.415	5.368	50	30	biogenic	IKEARN
C[C@H]1Oc2ccccc2C=C1/C=C1\Oc2cc(OC(=O)c3ccccc3F)ccc2C1=O	ZINC000002135470	569185410	/nfs/dbraw/zinc/18/54/10/569185410.db2.gz	KYAGIFOYOBVIJX-IZVPMIMASA-N	0	0	428.415	5.368	50	30	biogenic	IKEARN
Cc1cccc(NC(=S)N/N=C/c2ccc(OC(=O)c3cccc4ccccc43)cc2)c1	ZINC000002553292	569185901	/nfs/dbraw/zinc/18/59/01/569185901.db2.gz	KAYPECWNGRJNIE-WPWMEQJKSA-N	0	0	439.540	5.688	50	30		IKEARN
C=CCOc1ccc(Br)cc1/C=C1/SC(=N)N(c2ccc(F)cc2)C1=O	ZINC000002155154	569187600	/nfs/dbraw/zinc/18/76/00/569187600.db2.gz	XPDIZTQXAOYALJ-CDLNYGKDSA-N	0	0	433.302	5.209	50	30		IKEARN
O=C1CCCC2=C1[C@H](c1ccc(OCc3ccccc3F)cc1)Nc1ccc3ccccc3c12	ZINC000002191669	569190684	/nfs/dbraw/zinc/19/06/84/569190684.db2.gz	GNCZFYYXNDJFPJ-PMERELPUSA-N	0	0	449.525	7.231	50	30		IKEARN
N#Cc1ccccc1Cn1cc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21	ZINC000002209188	569191956	/nfs/dbraw/zinc/19/19/56/569191956.db2.gz	KYZHDALYBFZPPU-FYJGNVAPSA-N	0	0	436.898	6.196	50	30		IKEARN
COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1	ZINC000252591393	569192477	/nfs/dbraw/zinc/19/24/77/569192477.db2.gz	BAZHUGCCVDXIAJ-QWKKMKHHSA-N	0	0	437.952	5.381	50	30		IKEARN
Cc1ccc2oc(-c3ccc(N=Cc4cc(C)cc(Br)c4O)cc3O)nc2c1	ZINC000252591194	569192535	/nfs/dbraw/zinc/19/25/35/569192535.db2.gz	AYWLYDJECWPBRF-UHFFFAOYSA-N	0	0	437.293	6.036	50	30		IKEARN
COCCN1C(=O)/C(=C\c2cccn2-c2ccc(Cl)cc2)SC1=Nc1ccccc1	ZINC000252591392	569192574	/nfs/dbraw/zinc/19/25/74/569192574.db2.gz	BAZHUGCCVDXIAJ-LIKMOULWSA-N	0	0	437.952	5.381	50	30		IKEARN
O=C1N[C@@](c2ccccc2)(C(F)(F)F)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252593555	569192762	/nfs/dbraw/zinc/19/27/62/569192762.db2.gz	BKVSGKFSOGKEMG-OAQYLSRUSA-N	0	0	427.451	6.052	50	30		IKEARN
CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC)SC1=Nc1ccccc1Cl	ZINC000252593058	569192773	/nfs/dbraw/zinc/19/27/73/569192773.db2.gz	BISOAEKHCGVFAS-ONCLNOLOSA-N	0	0	442.009	6.280	50	30		IKEARN
CCOc1ccc(/C=C2/SC(=Nc3cccc(C(F)(F)F)c3)N(C)C2=O)cc1OC	ZINC000252593812	569192846	/nfs/dbraw/zinc/19/28/46/569192846.db2.gz	BMJMLUVREAWAQT-OAMOUCEHSA-N	0	0	436.455	5.347	50	30		IKEARN
Brc1cccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1	ZINC000252593478	569192859	/nfs/dbraw/zinc/19/28/59/569192859.db2.gz	BKGCJBMQNKPMLM-UHFFFAOYSA-N	0	0	430.309	5.414	50	30		IKEARN
CC(=NN1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc(Cl)cc1	ZINC000252593508	569192866	/nfs/dbraw/zinc/19/28/66/569192866.db2.gz	BKLPEKOJKKUVLX-DEOSSOPVSA-N	0	0	438.358	5.761	50	30		IKEARN
COc1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1OC	ZINC000252594642	569192960	/nfs/dbraw/zinc/19/29/60/569192960.db2.gz	BUEYLKHZRGSIHI-UHFFFAOYSA-N	0	0	426.303	6.305	50	30		IKEARN
CN1C(=O)[C@H](CC(=O)Nc2cccc3ccccc32)SC1=Nc1cccc2ccccc21	ZINC000252594296	569192984	/nfs/dbraw/zinc/19/29/84/569192984.db2.gz	BQLAPSVLVYMZJW-QHCPKHFHSA-N	0	0	439.540	5.583	50	30		IKEARN
Cc1ccc2nc(-c3ccc(N=Cc4ccc(-c5cccc(Cl)c5)o4)cc3)sc2c1	ZINC000252594991	569193045	/nfs/dbraw/zinc/19/30/45/569193045.db2.gz	BWVWUVLRNZZABV-UHFFFAOYSA-N	0	0	428.944	7.936	50	30		IKEARN
O=C1NC(=NN=Cc2ccc(Cl)cc2Cl)S/C1=C/c1cccc(C(F)(F)F)c1	ZINC000252594875	569193070	/nfs/dbraw/zinc/19/30/70/569193070.db2.gz	BWLFGIDXLHWSEC-WBRVZVRESA-N	0	0	444.265	5.606	50	30		IKEARN
C=CCN1c2ccccc2/C(=C2\SC(=Nc3ccccc3)N(c3ccccc3)C2=O)C1=O	ZINC000252595045	569193077	/nfs/dbraw/zinc/19/30/77/569193077.db2.gz	BXXRDAYKUQBRGG-OHHJCTMOSA-N	0	0	437.524	5.398	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252596075	569193191	/nfs/dbraw/zinc/19/31/91/569193191.db2.gz	CGSSCFISYSKLIY-OMSSWJLUSA-N	0	0	435.892	6.057	50	30		IKEARN
COc1ccccc1N=CC1=C(c2cccs2)Oc2ccccc2[C@H]1c1ccccc1C	ZINC000252596055	569193198	/nfs/dbraw/zinc/19/31/98/569193198.db2.gz	CGGREFCLEAARCV-HHHXNRCGSA-N	0	0	437.564	7.403	50	30		IKEARN
C=C(C)Cn1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3	ZINC000002206218	569193211	/nfs/dbraw/zinc/19/32/11/569193211.db2.gz	JZKAWKJBNZLLGL-UHFFFAOYSA-N	0	0	444.625	6.135	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N2CC)cc1	ZINC000252595876	569193215	/nfs/dbraw/zinc/19/32/15/569193215.db2.gz	CETBOSDRFADZJF-SIFMURAYSA-N	0	0	445.588	6.117	50	30		IKEARN
COc1ccc(N=C2S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000252597780	569193404	/nfs/dbraw/zinc/19/34/04/569193404.db2.gz	CVLCOTMAMDSXPO-DRIWLZCMSA-N	0	0	434.492	5.652	50	30		IKEARN
CN1C(=O)/C(=C\c2ccc(OCc3ccccc3C#N)cc2)SC1=Nc1ccccc1	ZINC000252600893	569193595	/nfs/dbraw/zinc/19/35/95/569193595.db2.gz	DVEURUIBUFCIJC-ZRAGWZJNSA-N	0	0	425.513	5.371	50	30		IKEARN
CCOc1cccc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000252599924	569193650	/nfs/dbraw/zinc/19/36/50/569193650.db2.gz	DMVNZPBABRIATL-SIFMURAYSA-N	0	0	428.557	6.511	50	30		IKEARN
Oc1ccc(Cc2ccccc2Cl)cc1C=Nc1ccc2oc(-c3ccccc3)nc2c1	ZINC000252601403	569193793	/nfs/dbraw/zinc/19/37/93/569193793.db2.gz	DZUAXGVASOYPKK-UHFFFAOYSA-N	0	0	438.914	7.195	50	30		IKEARN
Cc1ccsc1/C=C1\SC(=Nc2ccc(C)c(C)c2)N(c2ccc(C)c(C)c2)C1=O	ZINC000252602449	569194012	/nfs/dbraw/zinc/19/40/12/569194012.db2.gz	FIJWMXCSVRBIGI-WPCCGSCNSA-N	0	0	432.614	7.099	50	30		IKEARN
Cc1ccc(/C=C2/SC(=Nc3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1C	ZINC000252603422	569194089	/nfs/dbraw/zinc/19/40/89/569194089.db2.gz	FQVLSWDMJUPTCT-QUUTUTFFSA-N	0	0	440.612	7.346	50	30		IKEARN
CCOc1ccc(C(CCCCCCCC(=NO)c2ccc(OCC)cc2)=NO)cc1	ZINC000252603231	569194150	/nfs/dbraw/zinc/19/41/50/569194150.db2.gz	FOUGSWFUINRTOL-UHFFFAOYSA-N	0	0	426.557	6.272	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl	ZINC000252604182	569194273	/nfs/dbraw/zinc/19/42/73/569194273.db2.gz	FXVWHACBOFDDJZ-MRXNPFEDSA-N	0	0	440.327	5.113	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)SC1=Nc1cc(Cl)ccc1Cl	ZINC000252604181	569194312	/nfs/dbraw/zinc/19/43/12/569194312.db2.gz	FXVWHACBOFDDJZ-INIZCTEOSA-N	0	0	440.327	5.113	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/c2ccc(O)c(O)c2O)C(=O)N1c1ccccc1C	ZINC000252605665	569194367	/nfs/dbraw/zinc/19/43/67/569194367.db2.gz	GLNJMEZRLIUPJR-WMNDBZMJSA-N	0	0	432.501	5.229	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3ccc(O)cc3)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252606331	569194515	/nfs/dbraw/zinc/19/45/15/569194515.db2.gz	GRDGUXROMHEQPC-DNKROPNVSA-N	0	0	428.557	6.326	50	30		IKEARN
S=C1N(c2ccccc2)C(=Nc2ccccc2)C(=Nc2ccccc2)N1c1ccccc1	ZINC000252606994	569194556	/nfs/dbraw/zinc/19/45/56/569194556.db2.gz	GXEVEEXXLMAMHC-UHFFFAOYSA-N	0	0	432.552	6.759	50	30		IKEARN
CCN(CC)c1ccc2cc(-c3csc(NN=Cc4ccc(OC)cc4)n3)c(=O)oc2c1	ZINC000252606561	569194594	/nfs/dbraw/zinc/19/45/94/569194594.db2.gz	GTJBEUKKECHZAI-UHFFFAOYSA-N	0	0	448.548	5.217	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)SC1=Nc1cccc(C)c1	ZINC000252607182	569194694	/nfs/dbraw/zinc/19/46/94/569194694.db2.gz	GZDFUFJCLKDMIW-CUCKYGFWSA-N	0	0	425.579	5.388	50	30		IKEARN
Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(C=Nc2c(-c3ccco3)nc3ccccn32)o1	ZINC000252611964	569197271	/nfs/dbraw/zinc/19/72/71/569197271.db2.gz	IOULCBCYJNRBJR-UHFFFAOYSA-N	0	0	426.432	6.130	50	30		IKEARN
COc1ccc(N=C2S/C(=C/c3ccc(N(C)C)cc3)C(=O)N2c2ccccc2)cc1	ZINC000252610860	569197320	/nfs/dbraw/zinc/19/73/20/569197320.db2.gz	IEXXONXICYJMNB-SUOSWRNOSA-N	0	0	429.545	5.570	50	30		IKEARN
C=CCc1cc(/C=C2/SC(=Nc3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O	ZINC000252613254	569197377	/nfs/dbraw/zinc/19/73/77/569197377.db2.gz	JACQLCOQEXLMCM-GXVPZIMRSA-N	0	0	448.588	6.066	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1ccc2oc(-c3cccc4ccccc43)nc2c1	ZINC000252613754	569197425	/nfs/dbraw/zinc/19/74/25/569197425.db2.gz	JDTZZLWRDILTTD-UHFFFAOYSA-N	0	0	443.300	6.867	50	30		IKEARN
O=C(Nc1cc(Cl)ccc1Cl)C(=NNc1ccc(Cl)cc1)C(=O)c1ccccc1	ZINC000252617378	569197611	/nfs/dbraw/zinc/19/76/11/569197611.db2.gz	KRMHUPHTIHZVRU-UHFFFAOYSA-N	0	0	446.721	5.936	50	30		IKEARN
Nc1ccccc1N=C1C=C(c2ccccc2)N(N(c2ccccc2)c2ccccc2)C1=O	ZINC000252616655	569197701	/nfs/dbraw/zinc/19/77/01/569197701.db2.gz	KCWZGDITJUVXIB-UHFFFAOYSA-N	0	0	430.511	5.978	50	30		IKEARN
COc1ccc(N2C(SC)=NC(=Nc3ccc(Cl)cc3)C23CCC(C)CC3)cc1	ZINC000252616303	569197711	/nfs/dbraw/zinc/19/77/11/569197711.db2.gz	JZCBHVKCCIGOQQ-UHFFFAOYSA-N	0	0	428.001	6.567	50	30		IKEARN
CN1c2cc(Cl)ccc2S/C1=C1/SC(=Nc2ccccc2)N(c2ccccc2)C1=O	ZINC000252618125	569197945	/nfs/dbraw/zinc/19/79/45/569197945.db2.gz	LEGFWWCGZGFWME-CVJJEBQVSA-N	0	0	449.988	6.519	50	30		IKEARN
Cc1ccc2oc(-c3cccc(N=Cc4ccc(OC(=O)c5ccco5)cc4)c3C)nc2c1	ZINC000252618641	569198154	/nfs/dbraw/zinc/19/81/54/569198154.db2.gz	LJEOQQZUIRIEJU-UHFFFAOYSA-N	0	0	436.467	6.674	50	30		IKEARN
CC[C@@H](C)Oc1c(/C=C2/SC(=Nc3ccccc3)N(CCOC)C2=O)cccc1OC	ZINC000252619144	569198164	/nfs/dbraw/zinc/19/81/64/569198164.db2.gz	LNIFIALKAWDNAG-QASFRJFQSA-N	0	0	440.565	5.123	50	30		IKEARN
Cc1[nH]c2ccccc2c1C=Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2	ZINC000252619406	569198166	/nfs/dbraw/zinc/19/81/66/569198166.db2.gz	LOQGFQMILICOSK-UHFFFAOYSA-N	0	0	427.573	6.097	50	30		IKEARN
COc1ccc2c(c1)N(C)/C(=C1\SC(=Nc3ccccc3)N(c3ccccc3)C1=O)S2	ZINC000252619645	569198540	/nfs/dbraw/zinc/19/85/40/569198540.db2.gz	LRTLXHFKGLXMSR-CSFSZXLXSA-N	0	0	445.569	5.874	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(C)c(C)c1	ZINC000252619874	569198720	/nfs/dbraw/zinc/19/87/20/569198720.db2.gz	LTLKXHYORSIHQV-NARSBJQYSA-N	0	0	442.584	6.506	50	30		IKEARN
COc1ccc(-c2nc3cc(N=Cc4ccc(OC)c(Br)c4)ccc3o2)cc1	ZINC000252619959	569198745	/nfs/dbraw/zinc/19/87/45/569198745.db2.gz	LUXANNRSYYJYCU-UHFFFAOYSA-N	0	0	437.293	6.025	50	30		IKEARN
Cc1ccc(N=NC(N=Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)C(C)C)cc1	ZINC000252620724	569199303	/nfs/dbraw/zinc/19/93/03/569199303.db2.gz	MKOYMYUJFTUVRX-UHFFFAOYSA-N	0	0	434.547	7.284	50	30		IKEARN
Cc1cccc(N=C2S/C(=C\c3c[nH]c4ccc(Br)cc34)C(=O)N2C)c1C	ZINC000252620927	569201564	/nfs/dbraw/zinc/20/15/64/569201564.db2.gz	MPHGYVPESXJXRT-HGNJTZEFSA-N	0	0	440.366	5.781	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C\c2ccc(C(C)C)cc2)C(=O)N1c1ccccc1C	ZINC000252621022	569201628	/nfs/dbraw/zinc/20/16/28/569201628.db2.gz	MRDUCHUHMFQMJK-NARSBJQYSA-N	0	0	426.585	7.235	50	30		IKEARN
O=C(NCc1ccccc1)c1c(N=Cc2ccc3c(c2)OCCO3)sc2c1CCCC2	ZINC000252621182	569201662	/nfs/dbraw/zinc/20/16/62/569201662.db2.gz	MUQBGVONZVWWRL-UHFFFAOYSA-N	0	0	432.545	5.079	50	30		IKEARN
CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1O	ZINC000252621531	569201680	/nfs/dbraw/zinc/20/16/80/569201680.db2.gz	NAPOFXOYNJXIQX-GUGSDYAWSA-N	0	0	444.556	6.216	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1ccc(C(C)C)cc1	ZINC000252621864	569201722	/nfs/dbraw/zinc/20/17/22/569201722.db2.gz	NIHKSWNBESYGTQ-QHCPKHFHSA-N	0	0	449.620	6.080	50	30		IKEARN
CCOc1cc(/C=C2\SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000252621798	569201745	/nfs/dbraw/zinc/20/17/45/569201745.db2.gz	NGXRSFDDJYYEKR-GCNWNYGFSA-N	0	0	444.556	6.216	50	30		IKEARN
C(=Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1	ZINC000252621910	569201756	/nfs/dbraw/zinc/20/17/56/569201756.db2.gz	NJYHHTCFAHCIPJ-NSOVKSMOSA-N	0	0	428.579	7.315	50	30		IKEARN
CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OC	ZINC000252622666	569201937	/nfs/dbraw/zinc/20/19/37/569201937.db2.gz	NZYOMTIPYJXZGK-UHFFFAOYSA-N	0	0	428.124	5.065	50	30		IKEARN
CCc1ccc(N=C2S/C(=C/c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252623232	569202131	/nfs/dbraw/zinc/20/21/31/569202131.db2.gz	OMVXEYJMJIXGKS-MPVWDOOLSA-N	0	0	432.614	6.990	50	30		IKEARN
Clc1ccc2[nH]c3c(c2c1)CCCC3=NN=C1CCCc2c3cc(Cl)ccc3[nH]c21	ZINC000252623434	569202133	/nfs/dbraw/zinc/20/21/33/569202133.db2.gz	ORICKPRFFDPIKK-UHFFFAOYSA-N	0	0	435.358	6.822	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3sccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252623233	569202135	/nfs/dbraw/zinc/20/21/35/569202135.db2.gz	OMVXEYJMJIXGKS-ZYITZIQLSA-N	0	0	432.614	6.990	50	30		IKEARN
COc1cccc(/C=C2\SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1O	ZINC000252623757	569202164	/nfs/dbraw/zinc/20/21/64/569202164.db2.gz	OYOOXVFUTXGTNZ-JXJWTFEASA-N	0	0	430.529	5.826	50	30		IKEARN
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)o1	ZINC000252623719	569202170	/nfs/dbraw/zinc/20/21/70/569202170.db2.gz	OXUQISYJXBUFNT-APOQOXIPSA-N	0	0	435.461	5.097	50	30		IKEARN
CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)SC1=Nc1ccc(Cl)cc1	ZINC000252623709	569202189	/nfs/dbraw/zinc/20/21/89/569202189.db2.gz	OXQMEXUSNHIDJV-QCRKUUAFSA-N	0	0	431.970	5.343	50	30		IKEARN
Cc1ccc2c(c1)/C(=C1/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C1=O)C(=O)N2	ZINC000252624122	569202558	/nfs/dbraw/zinc/20/25/58/569202558.db2.gz	PGTGMJXKKDIUMY-SHXUIJRESA-N	0	0	439.540	5.743	50	30		IKEARN
CC(=O)c1ccc(N=Cc2ccc(OC(=O)C=Cc3ccc(Br)cc3)cc2)cc1	ZINC000252624706	569202866	/nfs/dbraw/zinc/20/28/66/569202866.db2.gz	PTIWGBQPYJNAKU-GCZSNCSJSA-N	0	0	448.316	6.021	50	30		IKEARN
C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1cccc(C(C)=O)c1	ZINC000252624526	569202887	/nfs/dbraw/zinc/20/28/87/569202887.db2.gz	PPRTURXVOAQUBA-QFIPXVFZSA-N	0	0	449.576	5.159	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1cccc(C(C)=O)c1	ZINC000252624525	569202892	/nfs/dbraw/zinc/20/28/92/569202892.db2.gz	PPRTURXVOAQUBA-JOCHJYFZSA-N	0	0	449.576	5.159	50	30		IKEARN
Cc1nc2cc(N=Cc3ccc(Br)c([N+](=O)[O-])c3)ccc2n1Cc1ccccc1	ZINC000252625330	569203153	/nfs/dbraw/zinc/20/31/53/569203153.db2.gz	QHPDNENGOCDLED-UHFFFAOYSA-N	0	0	449.308	5.814	50	30		IKEARN
COc1ccc(C=Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1Br	ZINC000252625940	569203173	/nfs/dbraw/zinc/20/31/73/569203173.db2.gz	QSKVIGSLLCJWQV-UHFFFAOYSA-N	0	0	437.293	6.031	50	30		IKEARN
CC(=NOC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc21)c1ccc(C(C)C)cc1	ZINC000252626114	569203183	/nfs/dbraw/zinc/20/31/83/569203183.db2.gz	QWWRJVFHVPGQED-UHFFFAOYSA-N	0	0	436.555	7.223	50	30		IKEARN
Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1	ZINC000252625887	569203200	/nfs/dbraw/zinc/20/32/00/569203200.db2.gz	QRJJEGAJXVEBNE-UHFFFAOYSA-N	0	0	429.134	6.118	50	30	investigational	IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1c1ccccc1	ZINC000252626255	569203314	/nfs/dbraw/zinc/20/33/14/569203314.db2.gz	QZFGQBJWAPWRSN-MJBUPYINSA-N	0	0	425.340	6.802	50	30		IKEARN
O=C(CSc1nc2ccc(N=Cc3ccccc3O)cc2s1)Nc1ccccc1F	ZINC000252626557	569203315	/nfs/dbraw/zinc/20/33/15/569203315.db2.gz	RBDMPKMBAGHIQX-UHFFFAOYSA-N	0	0	437.521	5.622	50	30		IKEARN
Cc1ccc([C@]2(C(F)(F)F)NC(=S)N(c3ccccc3)C(=Nc3ccccc3)O2)cc1	ZINC000252626581	569203386	/nfs/dbraw/zinc/20/33/86/569203386.db2.gz	RBRWXIOFTJHVEM-QFIPXVFZSA-N	0	0	441.478	5.809	50	30		IKEARN
Cc1ccccc1N=C1S/C(=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccccc1C	ZINC000252626887	569203400	/nfs/dbraw/zinc/20/34/00/569203400.db2.gz	RHQRPBLOUIICFI-HDRSTDRBSA-N	0	0	445.500	6.169	50	30		IKEARN
CCN1C(=O)[C@H](CC(=O)Nc2ccc(C)cc2C)SC1=Nc1cccc2ccccc21	ZINC000252628106	569203581	/nfs/dbraw/zinc/20/35/81/569203581.db2.gz	SIDJDATZBYQNHC-QFIPXVFZSA-N	0	0	431.561	5.437	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1	ZINC000252628449	569203602	/nfs/dbraw/zinc/20/36/02/569203602.db2.gz	SQKWGNBLDPPRJC-NARSBJQYSA-N	0	0	443.616	6.677	50	30		IKEARN
CCCN1C(=O)/C(=C\c2ccc(OCC)c(OC)c2)SC1=Nc1ccc(OCC)cc1	ZINC000252628206	569203610	/nfs/dbraw/zinc/20/36/10/569203610.db2.gz	SKXGJPMPICTUNM-KGXUUABDSA-N	0	0	440.565	5.507	50	30		IKEARN
COc1ccc(/C=C2/SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1	ZINC000252628548	569203633	/nfs/dbraw/zinc/20/36/33/569203633.db2.gz	SSOHTJSQYFYSSO-ZNCAUEQNSA-N	0	0	428.557	5.850	50	30		IKEARN
CCc1ccc(N=C2S/C(=C\c3cc(C)ccc3C)C(=O)N2c2ccc(CC)cc2)cc1	ZINC000252628518	569203635	/nfs/dbraw/zinc/20/36/35/569203635.db2.gz	SRZZRVYDVLHOKV-GGNNGZDKSA-N	0	0	440.612	7.237	50	30		IKEARN
CCc1ccccc1N=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1	ZINC000252628270	569203696	/nfs/dbraw/zinc/20/36/96/569203696.db2.gz	SMEIBFKIOWIDLV-ZQXLJOGCSA-N	0	0	434.561	5.914	50	30		IKEARN
O=[N+]([O-])c1cccc(/C=C/C=Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1	ZINC000252628699	569203723	/nfs/dbraw/zinc/20/37/23/569203723.db2.gz	SVVNCOSUAMKAGP-XAVUPTSGSA-N	0	0	448.276	6.581	50	30		IKEARN
COc1cccc(C=Nc2ccc(-c3ccc(N=Cc4cccc(OC)c4)c(C)c3)cc2C)c1	ZINC000252628837	569203736	/nfs/dbraw/zinc/20/37/36/569203736.db2.gz	SZEIUSDFULKYCP-UHFFFAOYSA-N	0	0	448.566	7.489	50	30		IKEARN
COc1cc(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)ccc1O	ZINC000252628810	569203766	/nfs/dbraw/zinc/20/37/66/569203766.db2.gz	SYGYADBSIGVFRH-ZQXLJOGCSA-N	0	0	430.529	5.826	50	30		IKEARN
c1ccc(N=C2S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=Nc2ccccc2)cc1	ZINC000252629050	569203772	/nfs/dbraw/zinc/20/37/72/569203772.db2.gz	TXPDBMSODBCQAQ-UZKHZQDVSA-N	0	0	444.648	7.517	50	30		IKEARN
C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)SC1=Nc1c(C)cccc1C	ZINC000252628938	569203791	/nfs/dbraw/zinc/20/37/91/569203791.db2.gz	TVEUZCVLQJDPAK-OAQYLSRUSA-N	0	0	435.593	5.573	50	30		IKEARN
COc1cc(/C=C2/SC(=Nc3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)C	ZINC000252628814	569203824	/nfs/dbraw/zinc/20/38/24/569203824.db2.gz	SYKIJTGLLQMAQW-DNKROPNVSA-N	0	0	444.556	6.291	50	30		IKEARN
COc1cc(C=NNc2ccc(Cl)cc2)cc(I)c1OC(C)C	ZINC000252629283	569203881	/nfs/dbraw/zinc/20/38/81/569203881.db2.gz	UCQHXBRMZRORQK-UHFFFAOYSA-N	0	0	444.700	5.186	50	30		IKEARN
CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(OC)cc3)N(CC)C2=O)c(OC)c1	ZINC000252629602	569203903	/nfs/dbraw/zinc/20/39/03/569203903.db2.gz	UJUOMSBOBXQIEM-LAJNNLEESA-N	0	0	439.581	5.174	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2c(C)cccc2C)SC1=Nc1cc(Cl)ccc1C	ZINC000252630135	569204044	/nfs/dbraw/zinc/20/40/44/569204044.db2.gz	UVGSRIKXBAAQKN-GOSISDBHSA-N	0	0	429.973	5.245	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1cc(C(F)(F)F)ccc1N1CCCCC1	ZINC000252630693	569204117	/nfs/dbraw/zinc/20/41/17/569204117.db2.gz	VDLYBHHNMHNKHX-UHFFFAOYSA-N	0	0	427.264	5.914	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3ccc(OCC)c(OC)c3)C(=O)N2CC)cc1	ZINC000252631155	569204488	/nfs/dbraw/zinc/20/44/88/569204488.db2.gz	VIWOCADVAOAYEJ-IRZHRRCCSA-N	0	0	426.538	5.117	50	30		IKEARN
COc1ccc(N=CC2=C(c3cccs3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1	ZINC000252630930	569204499	/nfs/dbraw/zinc/20/44/99/569204499.db2.gz	VFZJJXPBAFCJGD-MHZLTWQESA-N	0	0	437.564	7.403	50	30		IKEARN
Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1/N=C/c1cccs1	ZINC000002220628	569204558	/nfs/dbraw/zinc/20/45/58/569204558.db2.gz	ONUYUWSVNCCVTC-BRJLIKDPSA-N	0	0	446.923	5.016	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(CC)c2)c1=O	ZINC000002222350	569204574	/nfs/dbraw/zinc/20/45/74/569204574.db2.gz	HGSPGQDGLAHDPM-UHFFFAOYSA-N	0	0	439.563	5.816	50	30		IKEARN
COC(=O)c1ccc(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)cc1	ZINC000252631833	569204595	/nfs/dbraw/zinc/20/45/95/569204595.db2.gz	VMWGBDZMGOXHLP-GQUXDKRHSA-N	0	0	442.540	5.899	50	30		IKEARN
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4cccnc4)nc3c2)c1O	ZINC000252632050	569204840	/nfs/dbraw/zinc/20/48/40/569204840.db2.gz	VPDUYAZYMYLVJF-UHFFFAOYSA-N	0	0	438.281	5.507	50	30		IKEARN
CC(C)(C)c1ccc(-c2nc3cc(N=Cc4ccc(-c5ccc(F)cc5)o4)ccc3o2)cc1	ZINC000252632222	569204900	/nfs/dbraw/zinc/20/49/00/569204900.db2.gz	VQYWPMZHMQMNHQ-UHFFFAOYSA-N	0	0	438.502	7.942	50	30		IKEARN
Clc1ccc(-c2ccc(C=Nc3ccc4oc(-c5ccccc5)nc4c3)o2)c(Cl)c1	ZINC000252632799	569204921	/nfs/dbraw/zinc/20/49/21/569204921.db2.gz	VXBTWDQTPZPEPN-UHFFFAOYSA-N	0	0	433.294	7.812	50	30		IKEARN
Brc1ccc2nc(N=NCc3nc4ccccc4[nH]3)nc(-c3ccccc3)c2c1	ZINC000252632915	569205047	/nfs/dbraw/zinc/20/50/47/569205047.db2.gz	VXWVVGAYIPTIMX-UHFFFAOYSA-N	0	0	443.308	5.382	50	30		IKEARN
CCN1C(=O)[C@@H](CC(=O)Nc2cc(Cl)ccc2C)SC1=Nc1ccc(C)c(C)c1	ZINC000252632671	569205050	/nfs/dbraw/zinc/20/50/50/569205050.db2.gz	VWJDRYKVGRMRDT-LJQANCHMSA-N	0	0	429.973	5.245	50	30		IKEARN
O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=Nc2ccccc2)N1C1CCCCC1	ZINC000252633836	569206079	/nfs/dbraw/zinc/20/60/79/569206079.db2.gz	WHAQREIOMFWERS-MJBUPYINSA-N	0	0	431.388	6.930	50	30		IKEARN
COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1OC	ZINC000252634596	569206904	/nfs/dbraw/zinc/20/69/04/569206904.db2.gz	WOWVYLDBBKOZML-GCNWNYGFSA-N	0	0	444.556	6.129	50	30		IKEARN
CC(C)(C)c1cc(N=Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(O)c(C(C)(C)C)c1	ZINC000252635727	569207915	/nfs/dbraw/zinc/20/79/15/569207915.db2.gz	WZZZRMIDDQGNHY-UHFFFAOYSA-N	0	0	437.668	8.038	50	30		IKEARN
CC1(C)[C@H]2CC[C@]1(C)C(=NN=C1NC(=O)/C(=C/c3cccc(Br)c3)S1)C2	ZINC000252636178	569208065	/nfs/dbraw/zinc/20/80/65/569208065.db2.gz	XGBYPXJUPDRINW-NUHLCPQHSA-N	0	0	432.387	5.211	50	30		IKEARN
CCOc1ccc(N=C2S/C(=C\c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1	ZINC000252638116	569208183	/nfs/dbraw/zinc/20/81/83/569208183.db2.gz	XZNYWKZYTUABSV-MMKHHPBPSA-N	0	0	444.556	6.293	50	30		IKEARN
Cc1ccc(N=C2S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1	ZINC000252638032	569208236	/nfs/dbraw/zinc/20/82/36/569208236.db2.gz	XYYLBIODGXJWHQ-UYJNXHFOSA-N	0	0	426.585	7.235	50	30		IKEARN
COCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=Nc1ccccc1	ZINC000252638266	569208313	/nfs/dbraw/zinc/20/83/13/569208313.db2.gz	YAQQDEQVRJHYNY-CMEWOCMCSA-N	0	0	431.561	5.345	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3cccs3)C(C#N)(C#N)[C@@H]3c4ccccc4C=CN23)cc1	ZINC000252639570	569208492	/nfs/dbraw/zinc/20/84/92/569208492.db2.gz	YMCXLLPIHSKVQS-LSQMVHIFSA-N	0	0	437.524	5.167	50	30		IKEARN
CCOc1cc(Br)cc(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O	ZINC000252639569	569208554	/nfs/dbraw/zinc/20/85/54/569208554.db2.gz	YMCPRNQLKXTWCB-UHFFFAOYSA-N	0	0	437.293	6.112	50	30		IKEARN
C=CCc1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc(OC)c1O	ZINC000252640269	569208682	/nfs/dbraw/zinc/20/86/82/569208682.db2.gz	YSLXPAUGCBPIFW-JXJWTFEASA-N	0	0	446.528	5.527	50	30		IKEARN
COc1ccc(OC)c(/C=C2/SC(=Nc3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1	ZINC000252640616	569208729	/nfs/dbraw/zinc/20/87/29/569208729.db2.gz	YVSUAAIWHCGNFG-GUGSDYAWSA-N	0	0	444.556	6.129	50	30		IKEARN
CCCN1C(=O)/C(=C\c2cccc(OCC)c2O)SC1=Nc1ccc(OCC)cc1	ZINC000252641483	569209382	/nfs/dbraw/zinc/20/93/82/569209382.db2.gz	ZDCKDNINEZLETI-GVFZAWILSA-N	0	0	426.538	5.204	50	30		IKEARN
O=[N+]([O-])c1cc(C=Nc2ccc3sc(-c4ccc(Cl)cc4)nc3c2)ccc1Cl	ZINC000252642512	569209444	/nfs/dbraw/zinc/20/94/44/569209444.db2.gz	ZMPNGLHGFGEGBT-UHFFFAOYSA-N	0	0	428.300	6.929	50	30		IKEARN
COc1ccc(OC)c(/C=C2/SC(=Nc3ccccc3C)N(c3ccccc3C)C2=O)c1	ZINC000252642741	569209459	/nfs/dbraw/zinc/20/94/59/569209459.db2.gz	ZPCSONYMHSEOKG-GUGSDYAWSA-N	0	0	444.556	6.129	50	30		IKEARN
O=[N+]([O-])c1ccc(/C=C/C=Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1	ZINC000252644135	569209599	/nfs/dbraw/zinc/20/95/99/569209599.db2.gz	ZZTDCIIRPGOJRR-VOGNUWCJSA-N	0	0	438.270	7.126	50	30		IKEARN
O=C1c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2O/C1=C\C1=Cc2ccccc2OC1	ZINC000002230947	569210397	/nfs/dbraw/zinc/21/03/97/569210397.db2.gz	RKKCASPPSLYVJF-MSXFZWOLSA-N	0	0	427.412	5.109	50	30		IKEARN
CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000002914929	569212799	/nfs/dbraw/zinc/21/27/99/569212799.db2.gz	RHNBRQVHDQNTMP-OEAKJJBVSA-N	0	0	433.485	5.902	50	30		IKEARN
O=C(Nc1ccccc1OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccc(F)c1	ZINC000003082698	569213140	/nfs/dbraw/zinc/21/31/40/569213140.db2.gz	NUMXVEZCWGSGCP-UHFFFAOYSA-N	0	0	445.281	5.628	50	30		IKEARN
Cc1cc(Br)c(O)c(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1	ZINC000003085175	569213179	/nfs/dbraw/zinc/21/31/79/569213179.db2.gz	TZSLCILXKHLQFZ-BHGWPJFGSA-N	0	0	425.257	6.161	50	30		IKEARN
O=[N+]([O-])c1ccccc1-c1ccc(/C=N/c2ccc3oc(-c4ccc(Cl)cc4)nc3c2)o1	ZINC000003144713	569213300	/nfs/dbraw/zinc/21/33/00/569213300.db2.gz	ZTWDQNAHYITOAE-VULFUBBASA-N	0	0	443.846	7.067	50	30		IKEARN
CC(=O)c1ccc(N2C(=S)N=C(Nc3ccccc3C)C23CCC(C(C)(C)C)CC3)cc1	ZINC000027471931	569213978	/nfs/dbraw/zinc/21/39/78/569213978.db2.gz	DNSSVUFIXPZXGV-UHFFFAOYSA-N	0	0	447.648	6.597	50	30		IKEARN
Cc1ccc(NC2=NC(=S)N(c3cccc(Cl)c3)C23CCC(C(C)(C)C)CC3)cc1	ZINC000027471965	569214002	/nfs/dbraw/zinc/21/40/02/569214002.db2.gz	WPAUPWMNOCFCLI-UHFFFAOYSA-N	0	0	440.056	7.048	50	30		IKEARN
O=C(/C=C/C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1)c1ccc(Br)cc1	ZINC000027474050	569214172	/nfs/dbraw/zinc/21/41/72/569214172.db2.gz	SHRIWFBMSXEZQC-POICXBNUSA-N	0	0	431.333	6.196	50	30		IKEARN
O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1ccc(Cl)cc1	ZINC000002246797	569214506	/nfs/dbraw/zinc/21/45/06/569214506.db2.gz	XXQXNPFDFHFSKC-IBGZPJMESA-N	0	0	429.701	6.180	50	30		IKEARN
C=C(C)Cn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2	ZINC000002252924	569215060	/nfs/dbraw/zinc/21/50/60/569215060.db2.gz	FGZZJNGRXDXLLI-UHFFFAOYSA-N	0	0	442.628	6.455	50	30		IKEARN
N#Cc1c2c(c(-c3ccc(Cl)cc3)nc1SCc1nc3ccccc3[nH]1)CCCC2	ZINC000002256143	569215214	/nfs/dbraw/zinc/21/52/14/569215214.db2.gz	NVRFNVMLOCHGRI-UHFFFAOYSA-N	0	0	430.964	6.321	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O	ZINC000002261075	569215671	/nfs/dbraw/zinc/21/56/71/569215671.db2.gz	HNCZVNSWRRRRSL-UHJWXMBMSA-N	0	0	444.398	5.473	50	30		IKEARN
CCCC[C@H]1S/C(=N\N=C\c2ccc(OC)cc2OC)N(Cc2ccccc2C)C1=O	ZINC000002260457	569215710	/nfs/dbraw/zinc/21/57/10/569215710.db2.gz	RGFJLHSGFCIJKQ-JYAWBRCSSA-N	0	0	439.581	5.037	50	30		IKEARN
CSc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(c3ccccc3)C2=O)cc1	ZINC000027500033	569216423	/nfs/dbraw/zinc/21/64/23/569216423.db2.gz	BOMAVHIAQDSVEG-HNEFAFEWSA-N	0	0	430.598	6.834	50	30		IKEARN
O=C1ON(c2ccccc2)[C@@H](c2ccc(Br)cc2)N1c1cccc(Cl)c1	ZINC000002256879	569216974	/nfs/dbraw/zinc/21/69/74/569216974.db2.gz	OAMPGTZPOVSCHJ-IBGZPJMESA-N	0	0	429.701	6.180	50	30		IKEARN
CC(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1	ZINC000009805290	569217009	/nfs/dbraw/zinc/21/70/09/569217009.db2.gz	ZWOYZOAVXBSZMW-GTYOFVGBSA-N	0	0	444.578	7.425	50	30		IKEARN
CCCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3	ZINC000002272785	569217723	/nfs/dbraw/zinc/21/77/23/569217723.db2.gz	WDDNOCIFYYEXFM-UHFFFAOYSA-N	0	0	426.651	6.779	50	30		IKEARN
Cc1cc(C)cc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)c1	ZINC000027520687	569218292	/nfs/dbraw/zinc/21/82/92/569218292.db2.gz	AUJXYYKQTNPWDC-OYKKKHCWSA-N	0	0	439.540	5.646	50	30		IKEARN
CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3cccc(N(C)C)c3)C[C@@]21C	ZINC000071766907	569258538	/nfs/dbraw/zinc/25/85/38/569258538.db2.gz	MREOZLCREPXSCQ-VBWGZTFCSA-N	0	0	429.604	5.407	50	30		IKEARN
CCCCCCCCSc1nc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@@H]4C3=O)cc2s1	ZINC000138165961	569262885	/nfs/dbraw/zinc/26/28/85/569262885.db2.gz	RBYDFXAPMDTYEB-GQSCTRQFSA-N	0	0	440.634	6.060	50	30		IKEARN
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/c1ccc(I)cc1C	ZINC000002282130	569263353	/nfs/dbraw/zinc/26/33/53/569263353.db2.gz	MEPXYGHXNMSPSP-SRZZPIQSSA-N	0	0	435.696	5.498	50	30		IKEARN
Cc1ccccc1-n1c2nc3ccccc3nc2c(C#N)c1NC(=O)c1ccccc1Cl	ZINC000002281252	569263370	/nfs/dbraw/zinc/26/33/70/569263370.db2.gz	TXWBWALLNGXLGO-UHFFFAOYSA-N	0	0	437.890	5.660	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1	ZINC000027527948	569263444	/nfs/dbraw/zinc/26/34/44/569263444.db2.gz	PFEWZTWVQXTLCZ-KCENJROVSA-N	0	0	430.980	6.471	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4c(F)cccc4Cl)c3c2C1	ZINC000027527947	569263453	/nfs/dbraw/zinc/26/34/53/569263453.db2.gz	PFEWZTWVQXTLCZ-ZMDPPLQJSA-N	0	0	430.980	6.471	50	30		IKEARN
C=CCN1C(=O)/C(=C/c2ccccc2OCCSc2ccc(Cl)cc2)SC1=S	ZINC000027527894	569263456	/nfs/dbraw/zinc/26/34/56/569263456.db2.gz	VTJUTJBWERJEPM-RGEXLXHISA-N	0	0	448.034	5.898	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2sc3ncnc(N=NCc4cccc5ccccc54)c3c2C1	ZINC000027527945	569263502	/nfs/dbraw/zinc/26/35/02/569263502.db2.gz	XGARXZOHWZUNPN-NFBCLFKXSA-N	0	0	428.605	6.832	50	30		IKEARN
O=C1C=C(Cl)[C@H]2C=C(Nc3ccccc3)c3c(O)cc(Cl)c4cc(Cl)c1c2c43	ZINC000113498486	569263726	/nfs/dbraw/zinc/26/37/26/569263726.db2.gz	WCNPWOWCHXMXAQ-GFCCVEGCSA-N	0	0	428.702	6.721	50	30		IKEARN
C=CCn1c(C)nc2c(c3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1=O	ZINC000002285288	569263851	/nfs/dbraw/zinc/26/38/51/569263851.db2.gz	AWGDPKTYLLGOGP-UHFFFAOYSA-N	0	0	436.302	5.085	50	30		IKEARN
CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1	ZINC000027533016	569266904	/nfs/dbraw/zinc/26/69/04/569266904.db2.gz	LHWJUNDHHZXMFR-DEOSSOPVSA-N	0	0	445.563	5.031	50	30		IKEARN
CN(C)c1ccc(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)cc1	ZINC000027534764	569267760	/nfs/dbraw/zinc/26/77/60/569267760.db2.gz	CUIUOADXVJYRCI-ZLFJWLGHSA-N	0	0	427.573	5.599	50	30		IKEARN
C=C(C)Cn1c(SCOCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2	ZINC000002293254	569268038	/nfs/dbraw/zinc/26/80/38/569268038.db2.gz	XJRDXTOFQNKYIF-UHFFFAOYSA-N	0	0	438.637	6.111	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(Oc3ccccc3)c2)cc1	ZINC000239203317	569268639	/nfs/dbraw/zinc/26/86/39/569268639.db2.gz	SDATYLAYECXQEA-UHFFFAOYSA-N	0	0	428.561	6.206	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=Cc2cccc(OCc3ccccc3)c2)cc1	ZINC000239235625	569268732	/nfs/dbraw/zinc/26/87/32/569268732.db2.gz	WJDXEUVLCKVSDU-UHFFFAOYSA-N	0	0	442.588	5.993	50	30		IKEARN
Cc1nn(-c2ccccc2)c(C)c1C=NN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1	ZINC000244678848	569269337	/nfs/dbraw/zinc/26/93/37/569269337.db2.gz	ILHIFKKJWXBAAR-UHFFFAOYSA-N	0	0	447.586	5.211	50	30		IKEARN
Oc1ccc(Br)cc1C=Nc1c(-c2ccc3ccccc3c2)nc2ccccn21	ZINC000245328187	569269895	/nfs/dbraw/zinc/26/98/95/569269895.db2.gz	SZIVGTACOXHNSB-UHFFFAOYSA-N	0	0	442.316	6.373	50	30		IKEARN
CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1	ZINC000252429477	569271229	/nfs/dbraw/zinc/27/12/29/569271229.db2.gz	TYPNHNNGNDVJIU-LEGYYREDSA-N	0	0	441.398	5.801	50	30		IKEARN
O=C(c1cc(F)ccc1OCc1ccccc1)[C@H]1O[C@H]1c1cc(Cl)cc2c1OCOC2	ZINC000002306128	569271682	/nfs/dbraw/zinc/27/16/82/569271682.db2.gz	AJJLZQJXFPNRAY-BJKOFHAPSA-N	0	0	440.854	5.247	50	30		IKEARN
O=C(Oc1cccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)c1)c1ccc(Cl)cc1	ZINC000002304437	569271725	/nfs/dbraw/zinc/27/17/25/569271725.db2.gz	BTTZHCJIYPQQBD-UHFFFAOYSA-N	0	0	438.266	5.501	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cccc(Br)c1	ZINC000002306145	569271796	/nfs/dbraw/zinc/27/17/96/569271796.db2.gz	DSQADTIMDSAVQD-XMMPIXPASA-N	0	0	432.361	6.912	50	30		IKEARN
N#Cc1c(NC(=S)NC(=O)c2ccc(Br)cc2)sc2c1CCCCCC2	ZINC000002316569	569272427	/nfs/dbraw/zinc/27/24/27/569272427.db2.gz	YYSLMVJUEUZWBL-UHFFFAOYSA-N	0	0	448.411	5.168	50	30		IKEARN
C=C(Br)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3	ZINC000002316272	569272478	/nfs/dbraw/zinc/27/24/78/569272478.db2.gz	KPGIXEPMXHGITM-UHFFFAOYSA-N	0	0	434.428	6.072	50	30		IKEARN
N#Cc1c(SCc2ccc([N+](=O)[O-])cc2)nsc1SCc1ccc([N+](=O)[O-])cc1	ZINC000002314005	569272622	/nfs/dbraw/zinc/27/26/22/569272622.db2.gz	MORIEZVIIBHGJZ-UHFFFAOYSA-N	0	0	444.519	5.416	50	30		IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]12	ZINC000253502204	569272827	/nfs/dbraw/zinc/27/28/27/569272827.db2.gz	MQYXUWHLBZFQQO-UJZGQTOSSA-N	0	0	426.729	8.025	50	30	in-vitro	IKEARN
C[C@@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O	ZINC000253499235	569272874	/nfs/dbraw/zinc/27/28/74/569272874.db2.gz	UILXPFRZQGQVFT-DFUZWZBHSA-N	0	0	442.546	6.174	50	30	biogenic	IKEARN
CC(=O)O/N=C(\C)[C@@]12C[C@@H]1C[C@@H]1[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]12C	ZINC000253505578	569273032	/nfs/dbraw/zinc/27/30/32/569273032.db2.gz	GGQIDQJAIYDGEX-XANUVNBQSA-N	0	0	427.585	5.436	50	30	biogenic	IKEARN
C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@H](O)CC[C@]34C)[C@@H]12	ZINC000253614948	569273474	/nfs/dbraw/zinc/27/34/74/569273474.db2.gz	MQYXUWHLBZFQQO-ZYMJEMKZSA-N	0	0	426.729	8.025	50	30	in-vitro	IKEARN
C/C(CCc1oc2c(cc(C)cc2Br)c1-c1ccc(C)o1)=N\NC(N)=S	ZINC000027572237	569273633	/nfs/dbraw/zinc/27/36/33/569273633.db2.gz	DLNADPOIODKSMT-SSDVNMTOSA-N	0	0	434.359	5.214	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3sc4ccccc4c3Cl)sc2C1	ZINC000002344068	569275285	/nfs/dbraw/zinc/27/52/85/569275285.db2.gz	JWWCACHAGZHTNP-JTQLQIEISA-N	0	0	446.022	5.739	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2O)cc1	ZINC000257348102	569280062	/nfs/dbraw/zinc/28/00/62/569280062.db2.gz	BKOGUJNRCSWUNA-CAMDWXRESA-N	0	0	446.653	5.473	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@@]21C	ZINC000257347752	569280065	/nfs/dbraw/zinc/28/00/65/569280065.db2.gz	SUISKBUAOOSHAW-UTUHKOEASA-N	0	0	444.612	5.265	50	30		IKEARN
COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3C[C@@H](OC(C)=O)[C@]21C	ZINC000257347753	569280072	/nfs/dbraw/zinc/28/00/72/569280072.db2.gz	SUISKBUAOOSHAW-YUQWHXGPSA-N	0	0	444.612	5.265	50	30		IKEARN
C[C@]12CCC[C@@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@@]3(C)[C@@H]1CC2	ZINC000257348118	569280171	/nfs/dbraw/zinc/28/01/71/569280171.db2.gz	BNXIOYCVQJVXLJ-JVRLNNHWSA-N	0	0	434.617	6.332	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3C/C(=N/O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C	ZINC000257348900	569280247	/nfs/dbraw/zinc/28/02/47/569280247.db2.gz	JVBJMRIVVNLPKI-HYUIFOCXSA-N	0	0	433.677	6.024	50	30		IKEARN
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@@H]3CC[C@]21C	ZINC000257348656	569280309	/nfs/dbraw/zinc/28/03/09/569280309.db2.gz	HVEXIRSOIACQFA-HRHCCUOVSA-N	0	0	430.677	7.378	50	30		IKEARN
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@@H]3O[C@@]32C1	ZINC000257350152	569280515	/nfs/dbraw/zinc/28/05/15/569280515.db2.gz	VEEBKUQFPONGGR-ILZOKFJHSA-N	0	0	444.700	7.171	50	30		IKEARN
CC(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)[C@@H]5O[C@@H]5[C@@]34C)[C@@H]12	ZINC000257350252	569280600	/nfs/dbraw/zinc/28/06/00/569280600.db2.gz	VXMOMCPHHMOJSD-XREUUOGISA-N	0	0	440.712	7.300	50	30		IKEARN
CO[C@@H]1CC[C@@]2(C)[C@@H](C[C@H]3O[C@]34[C@H]3CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]3(C)CC[C@H]42)C1	ZINC000257350339	569280680	/nfs/dbraw/zinc/28/06/80/569280680.db2.gz	WKPPTKDUKHFXEE-IUJDGSGRSA-N	0	0	428.701	7.276	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@H]43)C2)cc1	ZINC000257355593	569280715	/nfs/dbraw/zinc/28/07/15/569280715.db2.gz	BMEDGGDZYCTQMO-SQKGDCJDSA-N	0	0	442.621	5.601	50	30		IKEARN
Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]5CCC(=O)[C@@]5(C)CC[C@H]43)C2)cc1	ZINC000257355594	569280739	/nfs/dbraw/zinc/28/07/39/569280739.db2.gz	BMEDGGDZYCTQMO-UPZNCPJBSA-N	0	0	442.621	5.601	50	30		IKEARN
C=C[C@]1(C)C[C@@H](OCOCC[Si](C)(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@@H]2C)CC1=O	ZINC000257356408	569280887	/nfs/dbraw/zinc/28/08/87/569280887.db2.gz	HVPFVUHFUULZFU-ISVIALBYSA-N	0	0	434.693	5.641	50	30		IKEARN
COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]21C	ZINC000257358971	569281002	/nfs/dbraw/zinc/28/10/02/569281002.db2.gz	XRLBQELEYBVDHJ-SJMILKLISA-N	0	0	444.612	5.265	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(Cc2ccc(C)cc2)c2nc3ccccc3nc21	ZINC000002351980	569282823	/nfs/dbraw/zinc/28/28/23/569282823.db2.gz	GYJHFIMPDCWRBR-UHFFFAOYSA-N	0	0	429.568	5.224	50	30		IKEARN
CCCCCCCCCC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@H]3CC[C@H]2C1	ZINC000253500188	569283445	/nfs/dbraw/zinc/28/34/45/569283445.db2.gz	YSSYRCSUIQKJPD-JCEDDHLOSA-N	0	0	444.700	7.651	50	30	biogenic	IKEARN
CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C	ZINC000253501612	569283588	/nfs/dbraw/zinc/28/35/88/569283588.db2.gz	NKJYZYWCGKSMSV-QCAXCJEWSA-N	0	0	442.640	6.360	50	30		IKEARN
C#C[C@]1(OC(=O)CCc2ccc(C)o2)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C	ZINC000253531731	569283951	/nfs/dbraw/zinc/28/39/51/569283951.db2.gz	BZDQWOZFIUXHLF-YBMGUYPWSA-N	0	0	434.576	5.578	50	30		IKEARN
CO[C@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C[C@H](C#N)[C@@]2(O)C1	ZINC000253532007	569283996	/nfs/dbraw/zinc/28/39/96/569283996.db2.gz	IKAYYSYGCHKPAB-RLOWHMFASA-N	0	0	443.716	6.987	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(NCc2cccnc2)c1Cc1ccc(Cl)cc1	ZINC000000638106	569284895	/nfs/dbraw/zinc/28/48/95/569284895.db2.gz	VJZFKVHCGJMKLR-UHFFFAOYSA-N	0	0	437.934	5.919	50	30		IKEARN
CCOc1cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc(OCC)c1OCC	ZINC000000655521	569284960	/nfs/dbraw/zinc/28/49/60/569284960.db2.gz	ICSJIABNFIJZDY-CQSZACIVSA-N	0	0	428.554	5.193	50	30		IKEARN
Cc1sc(NC(=O)c2cccc(I)c2)c(C#N)c1-c1ccccc1	ZINC000000680095	569285012	/nfs/dbraw/zinc/28/50/12/569285012.db2.gz	FUPDSMKFZLJHPQ-UHFFFAOYSA-N	0	0	444.297	5.452	50	30		IKEARN
CCCCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1ccc(N(CC)CC)cc1	ZINC000006783354	569287798	/nfs/dbraw/zinc/28/77/98/569287798.db2.gz	FVHTXFRNIZYBKQ-UHFFFAOYSA-N	0	0	425.580	6.600	50	30		IKEARN
Cc1cc(C(F)(F)F)nc(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1C#N	ZINC000008430487	569289678	/nfs/dbraw/zinc/28/96/78/569289678.db2.gz	NAMLXOBGISPGOC-BUBBNXEVSA-N	0	0	437.531	5.094	50	30		IKEARN
N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(OCc2ccc(F)cc2)c1	ZINC000008426024	569289703	/nfs/dbraw/zinc/28/97/03/569289703.db2.gz	NFFPZWIPSVSAMZ-UHFFFAOYSA-N	0	0	433.446	5.198	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(-c3ccc(F)cc3)c3c(c2C#N)CCCC3)cc1	ZINC000008385210	569289715	/nfs/dbraw/zinc/28/97/15/569289715.db2.gz	FSDVDERWMJINQC-UHFFFAOYSA-N	0	0	432.520	5.622	50	30		IKEARN
N#Cc1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC000008432274	569289724	/nfs/dbraw/zinc/28/97/24/569289724.db2.gz	GRYABEUGUGJAEO-HSZRJFAPSA-N	0	0	432.614	6.751	50	30		IKEARN
Cc1ccc(-c2c(C#N)c(SCC(=O)Nc3cccc(C)c3)nc3c2CCCC3)cc1	ZINC000008406227	569289726	/nfs/dbraw/zinc/28/97/26/569289726.db2.gz	BMTFZXVPJMCUBL-UHFFFAOYSA-N	0	0	427.573	5.847	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccc(Cl)cc3)n2)cc1	ZINC000008445797	569289752	/nfs/dbraw/zinc/28/97/52/569289752.db2.gz	AASJSEIGEBESMM-UHFFFAOYSA-N	0	0	442.971	7.242	50	30		IKEARN
CCCCSC[C@@H](O)CSc1nc(-c2ccccc2)cc(-c2ccc(C)cc2)c1C#N	ZINC000008442336	569289765	/nfs/dbraw/zinc/28/97/65/569289765.db2.gz	YGLCRZTWVACOAJ-JOCHJYFZSA-N	0	0	448.657	6.582	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)cc1	ZINC000008448441	569289783	/nfs/dbraw/zinc/28/97/83/569289783.db2.gz	ROALRBSFPQLWEX-UHFFFAOYSA-N	0	0	448.594	6.394	50	30		IKEARN
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SC[C@H]1COc2ccccc2O1	ZINC000008443629	569289798	/nfs/dbraw/zinc/28/97/98/569289798.db2.gz	PEYVOJFCBCGDDW-OAQYLSRUSA-N	0	0	436.536	6.219	50	30		IKEARN
CS[C@@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008443525	569289808	/nfs/dbraw/zinc/28/98/08/569289808.db2.gz	QIDCGABYEHXGCU-RSXGOPAZSA-N	0	0	446.641	6.416	50	30		IKEARN
Cc1ccc(-c2c(C#N)c(SCC(=O)OCc3ccccc3)nc3c2CCCC3)cc1	ZINC000008443120	569289812	/nfs/dbraw/zinc/28/98/12/569289812.db2.gz	CCRRLMDWDJZBJU-UHFFFAOYSA-N	0	0	428.557	5.643	50	30		IKEARN
Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c1	ZINC000008441038	569289824	/nfs/dbraw/zinc/28/98/24/569289824.db2.gz	MTAMJZBMKMUXKA-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
CS[C@H]1CCCC[C@]1(O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N	ZINC000008443529	569289828	/nfs/dbraw/zinc/28/98/28/569289828.db2.gz	QIDCGABYEHXGCU-AHWVRZQESA-N	0	0	446.641	6.416	50	30		IKEARN
N#Cc1c(SCCOc2ccccc2)nc(-c2cccs2)cc1-c1ccc(F)cc1	ZINC000008448440	569289830	/nfs/dbraw/zinc/28/98/30/569289830.db2.gz	UIXMUOYRVOTHGQ-UHFFFAOYSA-N	0	0	432.545	6.659	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc(SCCC3OCCO3)c(C#N)c(-c3cccs3)c2C1	ZINC000008451235	569289966	/nfs/dbraw/zinc/28/99/66/569289966.db2.gz	UYTOXDHIMRELBA-OAHLLOKOSA-N	0	0	428.623	5.688	50	30		IKEARN
N#Cc1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCCCC2	ZINC000008455733	569289974	/nfs/dbraw/zinc/28/99/74/569289974.db2.gz	RCBYIXNRIYIGFB-UHFFFAOYSA-N	0	0	435.401	7.053	50	30		IKEARN
CCOc1nc2sc(C(=O)Nc3ccc(OC)cc3)c(N)c2c(-c2ccccc2)c1C#N	ZINC000008706706	569290096	/nfs/dbraw/zinc/29/00/96/569290096.db2.gz	SNSKKLCBXUODMY-UHFFFAOYSA-N	0	0	444.516	5.077	50	30		IKEARN
Cc1ccc([S@@](=O)c2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2C#N)cc1	ZINC000008781510	569290523	/nfs/dbraw/zinc/29/05/23/569290523.db2.gz	FPUBFIBFUHAENF-NDEPHWFRSA-N	0	0	429.328	5.593	50	30		IKEARN
CCOC(=O)CC(=O)CSc1nc(-c2cccs2)cc(-c2cccs2)c1C#N	ZINC000008816645	569290797	/nfs/dbraw/zinc/29/07/97/569290797.db2.gz	CELJWOBRRCIZCG-UHFFFAOYSA-N	0	0	428.560	5.025	50	30		IKEARN
Cc1ccc([C@H]2C[C@H]2/C(=N/OC(=O)c2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1	ZINC000008857099	569291403	/nfs/dbraw/zinc/29/14/03/569291403.db2.gz	OCXRYRIXDALDHC-ZGMCHLIBSA-N	0	0	442.317	6.806	50	30		IKEARN
N#Cc1c2c(c(-c3cccc(C(F)(F)F)c3)nc1SCc1ccccc1Cl)CCC2	ZINC000008857316	569291460	/nfs/dbraw/zinc/29/14/60/569291460.db2.gz	WMKPVPYPIOARMB-UHFFFAOYSA-N	0	0	444.909	7.073	50	30		IKEARN
N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1c(Cl)cccc1Cl	ZINC000008857398	569291566	/nfs/dbraw/zinc/29/15/66/569291566.db2.gz	OVVNZNIXFCTBKY-UHFFFAOYSA-N	0	0	425.262	7.097	50	30		IKEARN
Cc1c(C(=O)N/C=N/OCc2c(F)cccc2Cl)sc(C#N)c1-c1ccccc1	ZINC000008925817	569292439	/nfs/dbraw/zinc/29/24/39/569292439.db2.gz	KQSVANSEYKWLOB-UHFFFAOYSA-N	0	0	427.888	5.278	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)nc1	ZINC000008964942	569292672	/nfs/dbraw/zinc/29/26/72/569292672.db2.gz	BZQQVSFEXJEGBF-UHFFFAOYSA-N	0	0	434.468	5.135	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(F)c1	ZINC000009190297	569294063	/nfs/dbraw/zinc/29/40/63/569294063.db2.gz	AWXZTHIHOOJRNR-UHFFFAOYSA-N	0	0	426.234	6.065	50	30		IKEARN
C[C@@H](Sc1nc(-c2ccc3c(c2)OCCO3)cc(C(F)(F)F)c1C#N)c1ccccc1	ZINC000009161335	569294090	/nfs/dbraw/zinc/29/40/90/569294090.db2.gz	WVUHYZSQFIYXGI-CQSZACIVSA-N	0	0	442.462	6.264	50	30		IKEARN
Cc1cccc(/C=N/n2c(N)c(C(=O)Nc3cc(C)cc(C)c3)c3nc4ccccc4nc32)c1	ZINC000002389414	569296248	/nfs/dbraw/zinc/29/62/48/569296248.db2.gz	JUVVJOMXASNSLI-WKULSOCRSA-N	0	0	448.530	5.226	50	30		IKEARN
Cc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc3ccc(F)cc3)n2)cc1	ZINC000009556352	569297302	/nfs/dbraw/zinc/29/73/02/569297302.db2.gz	DDCPLBVVDMUMTL-UHFFFAOYSA-N	0	0	445.441	5.817	50	30		IKEARN
N#Cc1c(SCC(=O)Nc2ccc(F)cc2)nc(-c2ccc(F)cc2)cc1C(F)(F)F	ZINC000009556368	569297308	/nfs/dbraw/zinc/29/73/08/569297308.db2.gz	KSRLBPUFXXYMOL-UHFFFAOYSA-N	0	0	449.404	5.648	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)no2)cc1	ZINC000009597828	569297408	/nfs/dbraw/zinc/29/74/08/569297408.db2.gz	HODYNPFGZYSSKD-HNNXBMFYSA-N	0	0	435.549	5.687	50	30		IKEARN
COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)no2)cc1	ZINC000009597827	569297410	/nfs/dbraw/zinc/29/74/10/569297410.db2.gz	HODYNPFGZYSSKD-OAHLLOKOSA-N	0	0	435.549	5.687	50	30		IKEARN
O=C(COc1ccc2c(c1)OC(=Cc1c(F)cccc1Cl)C2=O)c1ccc(Cl)cc1	ZINC000002392931	569297964	/nfs/dbraw/zinc/29/79/64/569297964.db2.gz	OVXVSIRWDWSKLO-JJFYIABZSA-N	0	0	443.257	6.010	50	30		IKEARN
CCCCCCCNC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc21	ZINC000002393562	569298130	/nfs/dbraw/zinc/29/81/30/569298130.db2.gz	YSIVHXSECDPAID-UHFFFAOYSA-N	0	0	429.568	5.473	50	30		IKEARN
O=C1SC[C@H](Cc2ccccc2)N1C1=C(C(F)(F)F)C(F)(F)C(F)(F)C1(F)F	ZINC000002396083	569298443	/nfs/dbraw/zinc/29/84/43/569298443.db2.gz	PYZXFBJYZYNMCU-VIFPVBQESA-N	0	0	435.311	5.502	50	30		IKEARN
CCCCCCCn1cnc2c(c3nc4ccccc4nc3n2-c2cccc(F)c2)c1=O	ZINC000002399558	569298935	/nfs/dbraw/zinc/29/89/35/569298935.db2.gz	XYIBSIIAOJFINJ-UHFFFAOYSA-N	0	0	429.499	5.393	50	30		IKEARN
CCCCCCCCOc1ccc(/C=N/n2cnc3c4cc(F)ccc4[nH]c3c2=O)cc1	ZINC000002406995	569300248	/nfs/dbraw/zinc/30/02/48/569300248.db2.gz	SAHYVMBMRZNBDO-LQKURTRISA-N	0	0	434.515	5.638	50	30		IKEARN
CCOC(=O)c1ccc(C[C@H]2S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1	ZINC000002410646	569300775	/nfs/dbraw/zinc/30/07/75/569300775.db2.gz	NCQDISQJHZPPLB-FPEJUQHSSA-N	0	0	430.529	5.242	50	30		IKEARN
Cc1ccc(C=C2Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)o1	ZINC000002421115	569301938	/nfs/dbraw/zinc/30/19/38/569301938.db2.gz	CJWNMWCWALCZOE-NHDPSOOVSA-N	0	0	439.261	5.228	50	30		IKEARN
COc1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4)ccc3C2=O)cc(OC)c1OC	ZINC000002424433	569302318	/nfs/dbraw/zinc/30/23/18/569302318.db2.gz	QJBLREXFHTZXMP-FBHDLOMBSA-N	0	0	436.435	5.047	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O)c1cccs1	ZINC000002428307	569302715	/nfs/dbraw/zinc/30/27/15/569302715.db2.gz	BDDOOEWSJSHCBG-YVLHZVERSA-N	0	0	427.275	5.346	50	30		IKEARN
COc1ccc([C@@H]2CC(c3cccc(Br)c3)=N[C@H](c3ccc(C#N)cc3)N2)cc1	ZINC000080324774	569303006	/nfs/dbraw/zinc/30/30/06/569303006.db2.gz	DOFKCSOVVDYOFQ-LADGPHEKSA-N	0	0	446.348	5.552	50	30		IKEARN
COc1ccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)cc1	ZINC000011869593	569303069	/nfs/dbraw/zinc/30/30/69/569303069.db2.gz	OWXVZQKTMABCDS-JLAGCLJESA-N	0	0	428.440	5.095	50	30	biogenic	IKEARN
O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc(OC(=O)c2ccccc2Cl)cc1	ZINC000011868148	569303132	/nfs/dbraw/zinc/30/31/32/569303132.db2.gz	GNQIEBDZKQFXEW-XYOKQWHBSA-N	0	0	431.702	6.762	50	30		IKEARN
COc1cccc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c1OC	ZINC000002431557	569303283	/nfs/dbraw/zinc/30/32/83/569303283.db2.gz	XZSUCGBZQMNCIV-YVNNLAQVSA-N	0	0	440.854	5.692	50	30		IKEARN
COc1ccc(CCNc2oc(COc3ccc(Cl)cc3Cl)nc2C#N)cc1OC	ZINC000002439209	569304065	/nfs/dbraw/zinc/30/40/65/569304065.db2.gz	NJYYZCMFGGKILB-UHFFFAOYSA-N	0	0	448.306	5.104	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccccc1Cl	ZINC000002450589	569304990	/nfs/dbraw/zinc/30/49/90/569304990.db2.gz	KUHKWLKEIMHZTL-UHFFFAOYSA-N	0	0	426.973	5.639	50	30		IKEARN
N#Cc1c(C(F)(F)F)cc(-c2ccc(Cl)cc2)nc1SCc1ccc(Cl)nc1	ZINC000012958319	569305302	/nfs/dbraw/zinc/30/53/02/569305302.db2.gz	QRRFKCDQXFSGKT-UHFFFAOYSA-N	0	0	440.277	6.633	50	30		IKEARN
CC[C@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1	ZINC000013003446	569306078	/nfs/dbraw/zinc/30/60/78/569306078.db2.gz	AGVIQJBWPPPGDB-NRFANRHFSA-N	0	0	448.523	5.163	50	30		IKEARN
CC[C@@H](Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N)C(=O)Nc1ccc(F)cc1	ZINC000013003444	569306110	/nfs/dbraw/zinc/30/61/10/569306110.db2.gz	AGVIQJBWPPPGDB-OAQYLSRUSA-N	0	0	448.523	5.163	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)NCCCCCc1nc(-c2cccs2)no1	ZINC000012998551	569306118	/nfs/dbraw/zinc/30/61/18/569306118.db2.gz	FFLZUAIUFGDNPY-UHFFFAOYSA-N	0	0	442.544	5.480	50	30		IKEARN
N#Cc1ccccc1-c1ccccc1C(=O)N1CCO[C@H](c2ccc(Br)cc2)C1	ZINC000070004374	569308231	/nfs/dbraw/zinc/30/82/31/569308231.db2.gz	SPRPKEWDKVWIRV-QHCPKHFHSA-N	0	0	447.332	5.201	50	30		IKEARN
Cc1c(C)n(Cc2ccco2)c(NC(=O)CSc2nc(-c3ccccc3)cs2)c1C#N	ZINC000013074981	569309227	/nfs/dbraw/zinc/30/92/27/569309227.db2.gz	XDMWKYULMMEECC-UHFFFAOYSA-N	0	0	448.573	5.472	50	30		IKEARN
Cc1ccc(/N=C2/c3ccccc3N(CN3CC[C@@H](c4ccccc4)C3)C2=O)cc1Cl	ZINC000014943705	569316272	/nfs/dbraw/zinc/31/62/72/569316272.db2.gz	YJUSQGMRFGOKHB-DQQTXVFNSA-N	0	0	429.951	5.563	50	30		IKEARN
Cc1ccc([C@@H](O)c2ccccn2)cc1NC(=O)C[C@H](C)c1ccc(C(F)(F)F)cc1	ZINC000328591509	569316979	/nfs/dbraw/zinc/31/69/79/569316979.db2.gz	NOJSUQRFZNVUIH-QMHKHESXSA-N	0	0	428.454	6.272	50	30		IKEARN
CC(C)[C@H](OC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1)C(=O)Nc1ccc(F)cc1	ZINC000328592493	569317215	/nfs/dbraw/zinc/31/72/15/569317215.db2.gz	YJLIOOYMVZHWAN-GOTSBHOMSA-N	0	0	448.494	5.078	50	30		IKEARN
O=C(Nc1ccc2nc(Cl)sc2c1)c1cccc(CS(=O)(=O)c2ccccc2)c1	ZINC000328595143	569317701	/nfs/dbraw/zinc/31/77/01/569317701.db2.gz	LXOFJJUAVIWQKC-UHFFFAOYSA-N	0	0	442.949	5.560	50	30		IKEARN
C[C@H](CNC(=O)C[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)c1nc2ccccc2s1	ZINC000328596275	569317899	/nfs/dbraw/zinc/31/78/99/569317899.db2.gz	ACMXXXDIHBGZSY-IAGOWNOFSA-N	0	0	445.629	6.030	50	30		IKEARN
CCOC(=O)C1=C(Nc2cccc(Cl)c2)SC(=Cc2ccc(C(C)(C)C)cc2)C1=O	ZINC000013940128	569321511	/nfs/dbraw/zinc/32/15/11/569321511.db2.gz	BLFMUAKOVRKFSK-UYRXBGFRSA-N	0	0	441.980	6.181	50	30		IKEARN
Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(Cl)cc1C	ZINC000019841855	569330208	/nfs/dbraw/zinc/33/02/08/569330208.db2.gz	UGSHPRYSNZEWFT-UHFFFAOYSA-N	0	0	431.967	6.239	50	30		IKEARN
N#Cc1c(N)nc2c(c1-c1ccc(COc3ccc(F)cc3Cl)o1)CCCCCC2	ZINC000019841262	569330239	/nfs/dbraw/zinc/33/02/39/569330239.db2.gz	XKWIGLHYMFVUBQ-UHFFFAOYSA-N	0	0	425.891	5.826	50	30		IKEARN
Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(Cl)cc1C	ZINC000019841794	569330244	/nfs/dbraw/zinc/33/02/44/569330244.db2.gz	WDRGRQMFAHHTEK-UHFFFAOYSA-N	0	0	437.996	6.382	50	30		IKEARN
Cc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1COc1ccc(F)cc1Cl	ZINC000019841551	569330245	/nfs/dbraw/zinc/33/02/45/569330245.db2.gz	RMTPDEIIPQRWGJ-UHFFFAOYSA-N	0	0	441.959	6.213	50	30		IKEARN
CCCCc1ccc(C(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1	ZINC000019867686	569330783	/nfs/dbraw/zinc/33/07/83/569330783.db2.gz	GLFSTRZNWIAVBZ-UHFFFAOYSA-N	0	0	432.574	5.453	50	30		IKEARN
N#Cc1c(N[C@@H](NC(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2)sc2c1CCCC2	ZINC000019881071	569331539	/nfs/dbraw/zinc/33/15/39/569331539.db2.gz	JGVNLFXVTHMFCW-JOCHJYFZSA-N	0	0	449.963	5.203	50	30		IKEARN
N#Cc1c(N)nc(SCC(=O)c2ccc3ccccc3c2)c(C#N)c1-c1cccc(F)c1	ZINC000019880124	569331545	/nfs/dbraw/zinc/33/15/45/569331545.db2.gz	GJQNOWAGFFCBHU-UHFFFAOYSA-N	0	0	438.487	5.341	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cs2)cc1	ZINC000019880904	569331595	/nfs/dbraw/zinc/33/15/95/569331595.db2.gz	HMALZEIAJQUTSL-VULFUBBASA-N	0	0	437.609	6.565	50	30		IKEARN
COc1ccc(C(=O)c2sc3nc(N)c(C#N)c(-c4ccc(C(C)C)cc4)c3c2N)cc1	ZINC000019940222	569332163	/nfs/dbraw/zinc/33/21/63/569332163.db2.gz	WCZLPIXJBACFDP-UHFFFAOYSA-N	0	0	442.544	5.362	50	30		IKEARN
CCOc1ccc(-c2c(C#N)c(N)nc(SCC(=O)c3ccc(Cl)cc3)c2C#N)cc1	ZINC000020028787	569332502	/nfs/dbraw/zinc/33/25/02/569332502.db2.gz	DCDSYRNFGBUXQH-UHFFFAOYSA-N	0	0	448.935	5.101	50	30		IKEARN
Cc1ccc(C(=O)[C@@H]2[C@H](c3ccccc3Cl)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N23)cc1	ZINC000020072391	569333676	/nfs/dbraw/zinc/33/36/76/569333676.db2.gz	BYXZAQQCRJRABN-GSDHBNRESA-N	0	0	449.941	5.933	50	30		IKEARN
C/C=C/C=C/C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)/C=C/C=C/C)c2)c1	ZINC000020075246	569333798	/nfs/dbraw/zinc/33/37/98/569333798.db2.gz	QPTGFYCJPWPMKS-KSUZRXENSA-N	0	0	426.516	5.724	50	30		IKEARN
CCOc1ccc(/C=C2\CC(c3ccccc3)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1	ZINC000020115602	569335007	/nfs/dbraw/zinc/33/50/07/569335007.db2.gz	ICAQDXGMJMSGTE-BFNWXZRRSA-N	0	0	438.567	7.098	50	30		IKEARN
CCCCCOc1ccc(/C=C2\CCC/C(=C/c3ccc(OCCCCC)cc3)C2=O)cc1	ZINC000020115458	569335019	/nfs/dbraw/zinc/33/50/19/569335019.db2.gz	FETMZSSJZUELET-SKTAYQSRSA-N	0	0	446.631	8.045	50	30		IKEARN
Cc1ccc([C@H]2C3C(=O)CCCC3=Nc3nc(SCc4ccc(C)cc4C)nn32)cc1	ZINC000020134162	569335533	/nfs/dbraw/zinc/33/55/33/569335533.db2.gz	PFWHAJLRLJTNSM-QHCPKHFHSA-N	0	0	430.577	5.518	50	30		IKEARN
CCOc1ccc(/C=C2\CS/C(=C\c3ccc(OCC)c(OC)c3)C2=O)cc1OC	ZINC000020151915	569336509	/nfs/dbraw/zinc/33/65/09/569336509.db2.gz	IHNGRUIGEDESGY-QBEGAQPDSA-N	0	0	426.534	5.242	50	30		IKEARN
N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)c(Cl)c2)nc1N1CCCCC1	ZINC000020218944	569356848	/nfs/dbraw/zinc/35/68/48/569356848.db2.gz	BCFUPQDSXPMZRW-UHFFFAOYSA-N	0	0	442.777	7.238	50	30		IKEARN
COc1cc(-c2cc(NC(=Nc3ccc(C(C)C)cc3)SC)[nH]n2)cc(OC)c1OC	ZINC000020440344	569365763	/nfs/dbraw/zinc/36/57/63/569365763.db2.gz	OXMZMJJIKWGTQD-UHFFFAOYSA-N	0	0	440.569	5.689	50	30		IKEARN
CCCn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Cl)ccc21	ZINC000096265918	569388012	/nfs/dbraw/zinc/38/80/12/569388012.db2.gz	LXGVUNIFUCHRLA-SSZFMOIBSA-N	0	0	427.931	6.628	50	30		IKEARN
Cn1c(=O)c(C(=O)/C=C\c2ccccc2)c(-c2ccccc2)c2cc(Br)ccc21	ZINC000096265920	569388204	/nfs/dbraw/zinc/38/82/04/569388204.db2.gz	TZAOISQLDLBPLV-QINSGFPZSA-N	0	0	444.328	5.864	50	30		IKEARN
N#Cc1ccccc1S(=O)(=O)Oc1cc(Cl)ccc1-c1nc2cc(Cl)ccc2o1	ZINC000096279301	569389303	/nfs/dbraw/zinc/38/93/03/569389303.db2.gz	RMBRSEZKNXSMEV-UHFFFAOYSA-N	0	0	445.283	5.441	50	30		IKEARN
C=CCn1c(SCc2cccc(C(=O)NCc3ccco3)c2)nnc1-c1ccc(C)cc1	ZINC000096290998	569391008	/nfs/dbraw/zinc/39/10/08/569391008.db2.gz	KIEAXFMOBDKERE-UHFFFAOYSA-N	0	0	444.560	5.255	50	30		IKEARN
C=CCn1c(SCc2ccccc2C(=O)NCc2ccco2)nnc1-c1cccs1	ZINC000096291125	569391140	/nfs/dbraw/zinc/39/11/40/569391140.db2.gz	DCBFUHOQACNERH-UHFFFAOYSA-N	0	0	436.562	5.008	50	30		IKEARN
Cn1cc([C@@H](CC(=O)NCc2ccccc2)c2cccc(C#N)c2Cl)c2ccccc21	ZINC000096292485	569391363	/nfs/dbraw/zinc/39/13/63/569391363.db2.gz	FBDLXDQCWQUDOW-QFIPXVFZSA-N	0	0	427.935	5.542	50	30		IKEARN
N#Cc1nc([C@H]2C[C@H]2c2ccccc2)oc1N1CCC(c2nc3ccccc3s2)CC1	ZINC000096346566	569397193	/nfs/dbraw/zinc/39/71/93/569397193.db2.gz	MVJQJXABALXQCO-OALUTQOASA-N	0	0	426.545	5.811	50	30		IKEARN
COc1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(C)cc3)s2)cc1	ZINC000096346758	569397195	/nfs/dbraw/zinc/39/71/95/569397195.db2.gz	WTOBUACFJMTSPD-QQXSKIMKSA-N	0	0	442.544	5.825	50	30		IKEARN
CCCCCNc1c(C#N)nc(Cc2ccccc2)c2c1CN(NCc1ccccc1)CC2	ZINC000096562369	569401157	/nfs/dbraw/zinc/40/11/57/569401157.db2.gz	HSYGUTADXPIRIZ-UHFFFAOYSA-N	0	0	439.607	5.209	50	30		IKEARN
C=CCN(CC=C)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1	ZINC000096580176	569401588	/nfs/dbraw/zinc/40/15/88/569401588.db2.gz	NDUOGBOOMWANQY-UHFFFAOYSA-N	0	0	431.355	5.039	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000096592687	569401983	/nfs/dbraw/zinc/40/19/83/569401983.db2.gz	APCLDDMGYLAZJK-SONWIMMPSA-N	0	0	437.524	5.167	50	30		IKEARN
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccsc3)C(C#N)(C#N)[C@H]3c4ccccc4C=CN32)cc1	ZINC000096592688	569402006	/nfs/dbraw/zinc/40/20/06/569402006.db2.gz	APCLDDMGYLAZJK-GIFXNVAJSA-N	0	0	437.524	5.167	50	30		IKEARN
Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1	ZINC000096592694	569402011	/nfs/dbraw/zinc/40/20/11/569402011.db2.gz	WNSQAHIRDVOQCU-UCQKPKSFSA-N	0	0	425.513	5.337	50	30		IKEARN
CC(C)(C)c1ccc(C(=O)N=C2c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1	ZINC000254568779	569402916	/nfs/dbraw/zinc/40/29/16/569402916.db2.gz	IWBZSSOVTIUCHP-UHFFFAOYSA-N	0	0	437.370	6.898	50	30		IKEARN
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@@H]32)C1	ZINC000225597572	569405281	/nfs/dbraw/zinc/40/52/81/569405281.db2.gz	DXRJBJUDWMWZPC-DTWQFKEOSA-N	0	0	436.596	5.185	50	30		IKEARN
C=CCSc1nnc(N2C(=O)C[C@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1	ZINC000002504203	569406198	/nfs/dbraw/zinc/40/61/98/569406198.db2.gz	XNSMVGXIAJTCIL-CQSZACIVSA-N	0	0	443.569	5.119	50	30		IKEARN
CCOc1ccccc1[C@H]1c2c(C)noc2NC2=C1C(=O)C[C@@H](c1ccc(OC)cc1)C2	ZINC000028052424	569406827	/nfs/dbraw/zinc/40/68/27/569406827.db2.gz	YMVQRNONNZPEBD-XDHUDOTRSA-N	0	0	430.504	5.349	50	30		IKEARN
CCOc1ccccc1[C@@H]1c2c(C)noc2NC2=C1C(=O)C[C@H](c1ccc(Cl)cc1)C2	ZINC000028052174	569406845	/nfs/dbraw/zinc/40/68/45/569406845.db2.gz	PQEBVYHGFABDDH-WAIKUNEKSA-N	0	0	434.923	5.993	50	30		IKEARN
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2onc(C)c2[C@@H]3c2cccc(C)c2)cc1OC	ZINC000028052523	569406853	/nfs/dbraw/zinc/40/68/53/569406853.db2.gz	TWCIAMNXLKVWJP-UUOWRZLLSA-N	0	0	430.504	5.267	50	30		IKEARN
Cc1noc2c1[C@H](c1cccc(Br)c1)C1=C(C[C@H](c3ccccc3)CC1=O)N2	ZINC000028051616	569406855	/nfs/dbraw/zinc/40/68/55/569406855.db2.gz	ACQYNELHLXNPJA-KKSFZXQISA-N	0	0	435.321	5.704	50	30		IKEARN
COC(=O)c1ccc([C@@H]2c3c(C)noc3NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	ZINC000028052310	569406859	/nfs/dbraw/zinc/40/68/59/569406859.db2.gz	DMOJYYSNYXAHLQ-HTAPYJJXSA-N	0	0	448.906	5.381	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccc(F)cc4)ccc3C1=O)cn2C	ZINC000028182467	569408692	/nfs/dbraw/zinc/40/86/92/569408692.db2.gz	PUTWBNPATFHEOE-GATIEOLUSA-N	0	0	429.447	5.521	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccc(F)cc4)c3C)C1=O)cn2C	ZINC000028182464	569408735	/nfs/dbraw/zinc/40/87/35/569408735.db2.gz	IEEHTOCTIXMTFH-ROTLSHHCSA-N	0	0	443.474	5.830	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1\Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C	ZINC000028182516	569408752	/nfs/dbraw/zinc/40/87/52/569408752.db2.gz	DLHKJDIVTWAODG-MXAYSNPKSA-N	0	0	425.484	5.691	50	30		IKEARN
Cc1cc(Oc2cc(C#N)c(C#N)cc2Oc2cc(C)c(Cl)c(C)c2)cc(C)c1Cl	ZINC000002590135	569410000	/nfs/dbraw/zinc/41/00/00/569410000.db2.gz	SMXQLAHBWOUGCB-UHFFFAOYSA-N	0	0	437.326	7.555	50	30		IKEARN
CCC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1	ZINC000215673469	569411243	/nfs/dbraw/zinc/41/12/43/569411243.db2.gz	IPAFZAPWNDPTMC-IBGZPJMESA-N	0	0	444.604	5.773	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)CSc3nnc(Nc4ccccc4)s3)sc2C1	ZINC000002626941	569411809	/nfs/dbraw/zinc/41/18/09/569411809.db2.gz	OXDHHQYCDWXIAB-LBPRGKRZSA-N	0	0	441.607	5.070	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc(C(F)(F)F)c1	ZINC000002633831	569412705	/nfs/dbraw/zinc/41/27/05/569412705.db2.gz	ZMICPOIWOBFVNC-UHFFFAOYSA-N	0	0	438.401	5.756	50	30		IKEARN
Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ccccc1/N=C/c1cccnc1Cl	ZINC000215719610	569413532	/nfs/dbraw/zinc/41/35/32/569413532.db2.gz	PGTXYAHKAXNBKU-WEPAEKJRSA-N	0	0	444.387	6.567	50	30		IKEARN
Cc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1	ZINC000215734153	569414636	/nfs/dbraw/zinc/41/46/36/569414636.db2.gz	UCHLUDKLLRLIAY-UHFFFAOYSA-N	0	0	443.450	5.558	50	30		IKEARN
N#Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc21	ZINC000002653540	569415144	/nfs/dbraw/zinc/41/51/44/569415144.db2.gz	NGCMESVYUHZREV-UHFFFAOYSA-N	0	0	448.910	5.692	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccc(Oc4ccccc4)cc3)sc2C1	ZINC000002663215	569416288	/nfs/dbraw/zinc/41/62/88/569416288.db2.gz	FNGZKECVTJAOCU-INIZCTEOSA-N	0	0	446.528	5.332	50	30		IKEARN
O=C1[C@H](Cc2cc(Cl)ccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1	ZINC000002671085	569416604	/nfs/dbraw/zinc/41/66/04/569416604.db2.gz	ZJLGJHFZDDYDPB-RCBZZLCRSA-N	0	0	427.356	6.372	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3sc4ccccc4c3Cl)sc2C1	ZINC000002740258	569419198	/nfs/dbraw/zinc/41/91/98/569419198.db2.gz	PRFSQXPENOLKOG-GFCCVEGCSA-N	0	0	429.010	6.891	50	30		IKEARN
CC[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)sc2C1	ZINC000002742230	569419822	/nfs/dbraw/zinc/41/98/22/569419822.db2.gz	KMVQYZAWHWLFOY-UZUQRXQVSA-N	0	0	432.614	6.607	50	30		IKEARN
N#Cc1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCCCCC2	ZINC000002746033	569419866	/nfs/dbraw/zinc/41/98/66/569419866.db2.gz	GRYABEUGUGJAEO-QHCPKHFHSA-N	0	0	432.614	6.751	50	30		IKEARN
CCN(CC)C(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)c(C#N)c1C	ZINC000002747340	569419933	/nfs/dbraw/zinc/41/99/33/569419933.db2.gz	IZHIRMHHCVGVKB-UHFFFAOYSA-N	0	0	431.970	5.531	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3c(Cl)cccc3Cl)sc2C1	ZINC000002750880	569420129	/nfs/dbraw/zinc/42/01/29/569420129.db2.gz	AEFNJFRNTLIMGK-WTNCMQEWSA-N	0	0	433.404	6.729	50	30		IKEARN
CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)sc2c1	ZINC000002755310	569420228	/nfs/dbraw/zinc/42/02/28/569420228.db2.gz	JRIYDMKRUOBKEW-UHFFFAOYSA-N	0	0	429.592	5.238	50	30		IKEARN
CCc1c(C)sc(NC(=O)c2c(C)n(-c3ccccc3)nc2-c2ccccc2)c1C#N	ZINC000002754610	569420416	/nfs/dbraw/zinc/42/04/16/569420416.db2.gz	XMJBDOAFHDETNP-UHFFFAOYSA-N	0	0	426.545	5.904	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc1C(=O)N(C)C	ZINC000002772641	569420729	/nfs/dbraw/zinc/42/07/29/569420729.db2.gz	MFCAKOYNESSODM-UHFFFAOYSA-N	0	0	438.361	5.404	50	30		IKEARN
COc1ccc(C=Nn2cn[nH]c2=S)cc1COc1c(Cl)cc(Cl)cc1Cl	ZINC000002790082	569421382	/nfs/dbraw/zinc/42/13/82/569421382.db2.gz	CKOHUIPDZOROKC-QPJQQBGISA-N	0	0	443.743	5.371	50	30		IKEARN
CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2ccc(Cl)cc2Cl)o1	ZINC000002790103	569421428	/nfs/dbraw/zinc/42/14/28/569421428.db2.gz	SVDISBPHDAEEKQ-QPSGOUHRSA-N	0	0	433.267	5.299	50	30		IKEARN
C[C@@H](Cn1cc(Br)cn1)C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2	ZINC000002790828	569421532	/nfs/dbraw/zinc/42/15/32/569421532.db2.gz	ZXFJQVARNFMMEO-QWHCGFSZSA-N	0	0	449.418	5.005	50	30		IKEARN
CSc1nnc(C(F)F)n1/N=C/c1ccc(COc2cccc(Cl)c2Cl)o1	ZINC000002790329	569421827	/nfs/dbraw/zinc/42/18/27/569421827.db2.gz	BYQRYXRKCRPQFJ-QPSGOUHRSA-N	0	0	433.267	5.299	50	30		IKEARN
CSc1ccc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1	ZINC000002801645	569422295	/nfs/dbraw/zinc/42/22/95/569422295.db2.gz	HELZYYZRTNHBFB-JTQLQIEISA-N	0	0	436.027	5.247	50	30		IKEARN
CCCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(C(=O)c1ccccc1)C(F)(F)F	ZINC000670420943	569422965	/nfs/dbraw/zinc/42/29/65/569422965.db2.gz	DBUAPPJYRIGNCY-NEPJUHHUSA-N	0	0	430.238	5.362	50	30		IKEARN
CC(C)OC(=O)c1ccc(COC(=O)c2ccc(Oc3cccc(C#N)c3C#N)cc2)cc1	ZINC000002844988	569423234	/nfs/dbraw/zinc/42/32/34/569423234.db2.gz	KXWMFKFDRLQCGX-UHFFFAOYSA-N	0	0	440.455	5.144	50	30		IKEARN
COc1c(F)c(F)c(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(F)c1F	ZINC000002879932	569423978	/nfs/dbraw/zinc/42/39/78/569423978.db2.gz	LLOYOXZLGXCDFB-SECBINFHSA-N	0	0	440.462	5.588	50	30		IKEARN
Cc1cc(C)c(C#N)c(SCCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)n1	ZINC000002889158	569424036	/nfs/dbraw/zinc/42/40/36/569424036.db2.gz	ZOCHWCCVEXWTKD-UHFFFAOYSA-N	0	0	444.585	5.968	50	30		IKEARN
N#Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(F)c1	ZINC000002884718	569424057	/nfs/dbraw/zinc/42/40/57/569424057.db2.gz	SFGBQUPPCWFPCN-UHFFFAOYSA-N	0	0	428.250	5.509	50	30		IKEARN
COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C#N)cc1F	ZINC000002884804	569424090	/nfs/dbraw/zinc/42/40/90/569424090.db2.gz	MDGHAUNMDYNASG-UHFFFAOYSA-N	0	0	429.451	5.890	50	30		IKEARN
CCCCCCCCOc1ccc(/C=C2/N=C(/C=C/c3ccc(Cl)cc3)OC2=O)cc1	ZINC000002942436	569426756	/nfs/dbraw/zinc/42/67/56/569426756.db2.gz	NJLKJPDFTKJZSY-IXTZJETLSA-N	0	0	437.967	7.089	50	30		IKEARN
CCOCCCn1c(SCc2ccccc2C#N)nc2c3ccccc3sc2c1=O	ZINC000002961983	569432718	/nfs/dbraw/zinc/43/27/18/569432718.db2.gz	BJXQKTVNHXPKLM-UHFFFAOYSA-N	0	0	435.574	5.202	50	30		IKEARN
N#Cc1ccccc1CSc1nc2c3ccccc3sc2c(=O)n1C1CCCCC1	ZINC000002962100	569432788	/nfs/dbraw/zinc/43/27/88/569432788.db2.gz	AOONJPJYDWQTTE-UHFFFAOYSA-N	0	0	431.586	6.280	50	30		IKEARN
CCc1cccc(C)c1NC(=S)N/N=C1/c2ccccc2N(Cc2cccc(C)c2)C1=O	ZINC000003041392	569438411	/nfs/dbraw/zinc/43/84/11/569438411.db2.gz	ZNCQIBOGSUSJIL-COOPMVRXSA-N	0	0	442.588	5.103	50	30		IKEARN
N#Cc1c(Sc2ccc(Cl)cc2)nc(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000003041120	569438428	/nfs/dbraw/zinc/43/84/28/569438428.db2.gz	BQTAVBOROCKGTL-UHFFFAOYSA-N	0	0	434.351	7.140	50	30		IKEARN
Cc1cc(C)cc(NC(=S)N/N=C2/c3ccccc3N(Cc3ccccc3Cl)C2=O)c1	ZINC000003041828	569438446	/nfs/dbraw/zinc/43/84/46/569438446.db2.gz	WLJDNUAIFGXWIK-QYQHSDTDSA-N	0	0	448.979	5.194	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3/C(=N/NC(=S)Nc3cc(C)cc(C)c3)C2=O)c1	ZINC000003041753	569438463	/nfs/dbraw/zinc/43/84/63/569438463.db2.gz	FQNXLYQSQAUYDJ-COOPMVRXSA-N	0	0	442.588	5.158	50	30		IKEARN
CCc1ccccc1NC(=S)N/N=C1/c2ccccc2N(Cc2cc(C)ccc2C)C1=O	ZINC000003041790	569438469	/nfs/dbraw/zinc/43/84/69/569438469.db2.gz	GIXIONXSJOTLPB-COOPMVRXSA-N	0	0	442.588	5.103	50	30		IKEARN
O=C1C[C@H](c2ccccc2)CC(Sc2ccccc2)=C1CS(=O)(=O)c1ccccc1	ZINC000003048690	569438904	/nfs/dbraw/zinc/43/89/04/569438904.db2.gz	LATLKJNZKMSGOO-FQEVSTJZSA-N	0	0	434.582	5.653	50	30		IKEARN
C=CCN1c2cc(C(=O)NCCc3ccc(C)cc3)ccc2Sc2ccccc2C1=O	ZINC000003050276	569438968	/nfs/dbraw/zinc/43/89/68/569438968.db2.gz	ITEUWBXKLJHMKH-UHFFFAOYSA-N	0	0	428.557	5.265	50	30		IKEARN
N#Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1Sc1cccc(C(F)(F)F)c1	ZINC000003104541	569440251	/nfs/dbraw/zinc/44/02/51/569440251.db2.gz	RHEOIIJZQZNZCB-UHFFFAOYSA-N	0	0	432.854	6.634	50	30		IKEARN
COc1cc(C=NN2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1	ZINC000254772125	569440295	/nfs/dbraw/zinc/44/02/95/569440295.db2.gz	SOBZMVGVFNGCRI-UHFFFAOYSA-N	0	0	443.591	5.043	50	30		IKEARN
CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc(Sc2ccc(Cl)cc2)c1C#N	ZINC000003119781	569440403	/nfs/dbraw/zinc/44/04/03/569440403.db2.gz	ZISZNVWSVBZXTN-UHFFFAOYSA-N	0	0	429.328	6.255	50	30		IKEARN
CC(C)(C)c1cc(/C=N/N/C(=N/c2ccccc2)c2ccccn2)cc(C(C)(C)C)c1O	ZINC000003114222	569440453	/nfs/dbraw/zinc/44/04/53/569440453.db2.gz	MCQMZBZOQRAQSD-RDRPBHBLSA-N	0	0	428.580	6.084	50	30		IKEARN
C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(COc4ccc(Cl)cc4)cc3)sc2C1	ZINC000003187544	569441401	/nfs/dbraw/zinc/44/14/01/569441401.db2.gz	IHTOWHBDBBZZOW-HNNXBMFYSA-N	0	0	436.964	6.229	50	30		IKEARN
COc1cc(Br)cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)c1O	ZINC000003190935	569441507	/nfs/dbraw/zinc/44/15/07/569441507.db2.gz	RLCAZDUOSIPMPK-BHGWPJFGSA-N	0	0	441.256	5.861	50	30		IKEARN
CCOc1nc2ccccc2nc1Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N	ZINC000003199727	569441619	/nfs/dbraw/zinc/44/16/19/569441619.db2.gz	TZQBADPCDPPUGH-UHFFFAOYSA-N	0	0	432.483	6.571	50	30		IKEARN
O=C(c1cc(Br)ccc1OCc1ccccc1)[C@H]1O[C@@H]1c1cc2ccccc2o1	ZINC000003219113	569441922	/nfs/dbraw/zinc/44/19/22/569441922.db2.gz	QHMHFCVYDZWXGM-DNQXCXABSA-N	0	0	449.300	6.097	50	30	biogenic	IKEARN
CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2Sc2ccccc2C#N)cc1	ZINC000003250396	569442935	/nfs/dbraw/zinc/44/29/35/569442935.db2.gz	OHTHBAXIZZKYRX-KRWDZBQOSA-N	0	0	430.529	5.456	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2-c2ccccc2C(C)C)cc1	ZINC000003259319	569443193	/nfs/dbraw/zinc/44/31/93/569443193.db2.gz	HAXMEVVLRSIKNM-UHFFFAOYSA-N	0	0	440.572	6.230	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1C1CCCCC1	ZINC000003263180	569443321	/nfs/dbraw/zinc/44/33/21/569443321.db2.gz	KFWALPZKNMNMCH-UHFFFAOYSA-N	0	0	438.569	5.557	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1C1CCCCC1	ZINC000003279390	569443775	/nfs/dbraw/zinc/44/37/75/569443775.db2.gz	WKVPKIWNJJJROC-UHFFFAOYSA-N	0	0	448.592	6.035	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccc(C(C)(C)C)cc1	ZINC000003282255	569443891	/nfs/dbraw/zinc/44/38/91/569443891.db2.gz	BOTMURYODPOOEH-UHFFFAOYSA-N	0	0	431.565	5.031	50	30		IKEARN
N#Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)oc(-c2ccco2)c1-c1ccco1	ZINC000003310278	569445381	/nfs/dbraw/zinc/44/53/81/569445381.db2.gz	CNLBCNQINPDRIQ-UHFFFAOYSA-N	0	0	448.478	6.832	50	30		IKEARN
N#Cc1c2c(sc1NC(=O)CSc1ncnc3scc(-c4ccccc4)c31)CCC2	ZINC000003348473	569447252	/nfs/dbraw/zinc/44/72/52/569447252.db2.gz	UPJRENRPQFXIPP-UHFFFAOYSA-N	0	0	448.598	5.511	50	30		IKEARN
COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)c1cc(C)c(C)cc1C	ZINC000003350952	569447386	/nfs/dbraw/zinc/44/73/86/569447386.db2.gz	WYOZWHREAIRTFR-UHFFFAOYSA-N	0	0	440.495	5.345	50	30		IKEARN
N#C[C@@H](Cc1ccccc1)Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1	ZINC000003366226	569448131	/nfs/dbraw/zinc/44/81/31/569448131.db2.gz	KRVHDTCPMVGTAD-NFBKMPQASA-N	0	0	440.528	5.007	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1	ZINC000003397557	569449498	/nfs/dbraw/zinc/44/94/98/569449498.db2.gz	KHVSMKNIPUPFTH-UHFFFAOYSA-N	0	0	428.542	5.621	50	30		IKEARN
C=CCn1c(SCc2cnc(-c3ccccc3)s2)nnc1[C@@H]1COc2ccccc2O1	ZINC000003415011	569450224	/nfs/dbraw/zinc/45/02/24/569450224.db2.gz	GGYXKZAFQSCDDZ-FQEVSTJZSA-N	0	0	448.573	5.392	50	30		IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@H](c3ccc(C(C)C)cc3)CC(=O)O4)C2=O)cc1	ZINC000217800283	569453398	/nfs/dbraw/zinc/45/33/98/569453398.db2.gz	REPYETNVMPJALL-XYUXXQEKSA-N	0	0	440.495	5.876	50	30	biogenic	IKEARN
COc1ccc(/C=C2\Oc3c(ccc4c3[C@@H](c3ccc(F)c(F)c3)CC(=O)O4)C2=O)cc1	ZINC000217824201	569453804	/nfs/dbraw/zinc/45/38/04/569453804.db2.gz	CZGGGGKWSISETH-HQOKVJKCSA-N	0	0	434.394	5.031	50	30	biogenic	IKEARN
CC(C)c1ccc(NC(=S)N/N=C/c2cccn2Cc2ccc(F)cc2Cl)cc1	ZINC000003587568	569454517	/nfs/dbraw/zinc/45/45/17/569454517.db2.gz	JFBIQEXPISDTPS-DHRITJCHSA-N	0	0	428.964	5.773	50	30		IKEARN
N#Cc1c(NC(=S)NC(=O)c2ccccc2Br)sc2c1CCCCCC2	ZINC000003617531	569454961	/nfs/dbraw/zinc/45/49/61/569454961.db2.gz	LHZGWKAEIUEQOZ-UHFFFAOYSA-N	0	0	448.411	5.168	50	30		IKEARN
Cc1c(C#N)c(NC(=O)c2cc(Br)ccc2Cl)sc1C(=O)OC(C)C	ZINC000003613464	569454971	/nfs/dbraw/zinc/45/49/71/569454971.db2.gz	OKULUOBXHDJGKI-UHFFFAOYSA-N	0	0	441.734	5.162	50	30		IKEARN
CCC(=O)Oc1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CCC3)cc1OC	ZINC000003633804	569455435	/nfs/dbraw/zinc/45/54/35/569455435.db2.gz	CYZNXHPBTVKKAQ-MHZLTWQESA-N	0	0	427.500	5.837	50	30		IKEARN
CCCCN(CCOC(C)=O)c1ccc(/N=N/c2c(C#N)cc([N+](=O)[O-])cc2C#N)c(C)c1	ZINC000031476973	569456494	/nfs/dbraw/zinc/45/64/94/569456494.db2.gz	ARSKJXYLLONUAJ-CYYJNZCTSA-N	0	0	448.483	5.232	50	30		IKEARN
N#Cc1ccc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc1	ZINC000058614892	569456518	/nfs/dbraw/zinc/45/65/18/569456518.db2.gz	XSTCAASOUYBHHC-UHFFFAOYSA-N	0	0	425.304	5.054	50	30		IKEARN
Brc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccccc2)s1	ZINC000003961011	569457230	/nfs/dbraw/zinc/45/72/30/569457230.db2.gz	KGCMVMOWRIKSQC-BUVRLJJBSA-N	0	0	434.362	6.686	50	30		IKEARN
Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C2CCCCC2)cc1C	ZINC000004065387	569458560	/nfs/dbraw/zinc/45/85/60/569458560.db2.gz	HNEYUFJSHOMZMI-SLJQUXCSSA-N	0	0	449.645	6.610	50	30		IKEARN
CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(F)cc3)CC(=O)C2[C@@H]1c1cccnc1	ZINC000004074961	569458628	/nfs/dbraw/zinc/45/86/28/569458628.db2.gz	NSTOXWAGNZTKNY-SIBVEZHUSA-N	0	0	427.479	5.141	50	30		IKEARN
Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccc(O)cc2)c1	ZINC000004109141	569459117	/nfs/dbraw/zinc/45/91/17/569459117.db2.gz	KEUSPPSJYVNLFB-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccc(O)cc1	ZINC000004109139	569459137	/nfs/dbraw/zinc/45/91/37/569459137.db2.gz	RVSPVHVYWIMLIF-QDJRPKQISA-N	0	0	445.569	5.879	50	30		IKEARN
O=C(/C=C/c1cccs1)c1ccc(OS(=O)(=O)c2cc(Cl)ccc2Cl)cc1	ZINC000004118394	569459559	/nfs/dbraw/zinc/45/95/59/569459559.db2.gz	ARKMGMHJSPBTRC-CSKARUKUSA-N	0	0	439.341	5.719	50	30		IKEARN
COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OCC#N	ZINC000004118884	569459649	/nfs/dbraw/zinc/45/96/49/569459649.db2.gz	VRTXUZWVUALUEM-LSDFYIEESA-N	0	0	441.512	5.406	50	30		IKEARN
COc1cc(CN=NC(=S)Nc2ccccc2)ccc1OCc1c(F)cccc1Cl	ZINC000004136403	569460330	/nfs/dbraw/zinc/46/03/30/569460330.db2.gz	GSRBEGZEXITSBO-DHRITJCHSA-N	0	0	443.931	5.799	50	30		IKEARN
COc1ccc(-c2nnc(SCc3ccccc3C#N)n2-c2ccccc2)cc1OC	ZINC000004186587	569460826	/nfs/dbraw/zinc/46/08/26/569460826.db2.gz	UYEBIFMILBISNS-UHFFFAOYSA-N	0	0	428.517	5.115	50	30		IKEARN
CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1C#N	ZINC000004195832	569460863	/nfs/dbraw/zinc/46/08/63/569460863.db2.gz	DYPXCFODRQPUQN-CVKSISIWSA-N	0	0	428.517	5.592	50	30		IKEARN
C=C1CC[C@@H]2[C@](C)(C(=O)OC)CCC[C@]2(C)[C@H]1CCc1ccoc1C[NH+]1CCC(C)CC1	ZINC000004311475	569461969	/nfs/dbraw/zinc/46/19/69/569461969.db2.gz	ZGHHYFNDDMTZKI-FRRISVFZSA-N	0	0	441.656	6.396	50	30		IKEARN
CCc1cccc(NC(=NC(=O)c2cccc(OC)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000066437596	569462122	/nfs/dbraw/zinc/46/21/22/569462122.db2.gz	DUAFRXSRZRKPAX-UHFFFAOYSA-N	0	0	440.547	5.180	50	30	biogenic	IKEARN
C=CCN(C(=O)CSc1nc2ccccc2o1)c1nc(-c2c[nH]c3ccccc32)cs1	ZINC000066409972	569462124	/nfs/dbraw/zinc/46/21/24/569462124.db2.gz	YVZVHCBEMATGRA-UHFFFAOYSA-N	0	0	446.557	5.744	50	30		IKEARN
Cc1cccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)c1	ZINC000066437610	569462132	/nfs/dbraw/zinc/46/21/32/569462132.db2.gz	QQWAXRKSKJCLCC-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
COc1ccc(Cl)cc1NC(=NC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12	ZINC000066437742	569462168	/nfs/dbraw/zinc/46/21/68/569462168.db2.gz	RKFWFGOHOHODIU-UHFFFAOYSA-N	0	0	446.938	5.271	50	30		IKEARN
CCOc1ccccc1NC(=NC(=O)c1cccc(F)c1)NCCc1c[nH]c2ccccc12	ZINC000066437725	569462180	/nfs/dbraw/zinc/46/21/80/569462180.db2.gz	IELQDJZEYWYVNV-UHFFFAOYSA-N	0	0	444.510	5.146	50	30		IKEARN
Cc1ccc(NC(=NC(=O)c2cccc(Cl)c2)NCCc2c[nH]c3ccccc23)cc1	ZINC000066437753	569462187	/nfs/dbraw/zinc/46/21/87/569462187.db2.gz	GZXGUULVOVHCFL-UHFFFAOYSA-N	0	0	430.939	5.570	50	30		IKEARN
CCOc1ccccc1NC(=NC(=O)c1ccc(C)cc1)NCCc1c[nH]c2ccccc12	ZINC000066437721	569462189	/nfs/dbraw/zinc/46/21/89/569462189.db2.gz	CNWWCSYCYFTKRO-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
CCOc1ccccc1NC(=NC(=O)c1ccccc1C)NCCc1c[nH]c2ccccc12	ZINC000066437718	569462211	/nfs/dbraw/zinc/46/22/11/569462211.db2.gz	NMRFNBWCDQBMEC-UHFFFAOYSA-N	0	0	440.547	5.316	50	30		IKEARN
CCCCCCCCCCCCS[C@H]1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O	ZINC000008383736	569462653	/nfs/dbraw/zinc/46/26/53/569462653.db2.gz	NJFWYAAGQUJNNQ-FQEVSTJZSA-N	0	0	444.468	7.279	50	30		IKEARN
O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1	ZINC000008385413	569462699	/nfs/dbraw/zinc/46/26/99/569462699.db2.gz	CZUHWWTWBZXVCQ-RGVLZGJSSA-N	0	0	428.491	6.967	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)NCCSc1ccccc1C	ZINC000008398702	569463269	/nfs/dbraw/zinc/46/32/69/569463269.db2.gz	NQACUUZDHUBUAE-UHFFFAOYSA-N	0	0	433.746	8.465	50	30	biogenic	IKEARN
C=CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2	ZINC000008396221	569463275	/nfs/dbraw/zinc/46/32/75/569463275.db2.gz	JSSQYXQFNYPZFV-UHFFFAOYSA-N	0	0	432.347	5.601	50	30		IKEARN
N#Cc1c(SCc2ccccc2F)nc(-c2cccs2)cc1-c1ccc(Cl)cc1	ZINC000008406093	569464009	/nfs/dbraw/zinc/46/40/09/569464009.db2.gz	SGZUSRAQVXJDLU-UHFFFAOYSA-N	0	0	436.964	7.434	50	30		IKEARN
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(C)cc3)c2C#N)cc1	ZINC000008441107	569464494	/nfs/dbraw/zinc/46/44/94/569464494.db2.gz	ZJUVHRAXJNKCJF-UHFFFAOYSA-N	0	0	449.579	6.635	50	30		IKEARN
CCCc1nnc(SCc2c(F)cccc2Cl)n1/N=C/c1cccc2ccccc12	ZINC000008717913	569471161	/nfs/dbraw/zinc/47/11/61/569471161.db2.gz	XYKKRIJBBGADLH-VULFUBBASA-N	0	0	438.959	6.351	50	30		IKEARN
CCOc1ccc2c(c1)C(=NNc1ccccc1Br)c1cc(OCC)ccc1-2	ZINC000008721883	569471767	/nfs/dbraw/zinc/47/17/67/569471767.db2.gz	MFJLSQUEXOJLBF-UHFFFAOYSA-N	0	0	437.337	6.091	50	30		IKEARN
C=CCNc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(F)cc2)n1	ZINC000008733605	569472524	/nfs/dbraw/zinc/47/25/24/569472524.db2.gz	WLCRFCDVZCNTAE-UHFFFAOYSA-N	0	0	431.989	6.452	50	30		IKEARN
COc1ccc(/C=C2\CC[C@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1	ZINC000008761958	569474266	/nfs/dbraw/zinc/47/42/66/569474266.db2.gz	LHZZMHLXKOFUGQ-QYQIQJBXSA-N	0	0	448.559	5.477	50	30	biogenic	IKEARN
Oc1ccc(/C=N/Cc2cccc(C(F)(F)F)c2)c(O)c1Cc1c(F)cccc1Cl	ZINC000008762046	569474279	/nfs/dbraw/zinc/47/42/79/569474279.db2.gz	XAZGXXRVQBIAOM-KVSWJAHQSA-N	0	0	437.820	6.119	50	30		IKEARN
C=CCNc1nc(SCc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1C#N	ZINC000008762237	569474309	/nfs/dbraw/zinc/47/43/09/569474309.db2.gz	LMKDFHKWGHLRED-UHFFFAOYSA-N	0	0	426.467	5.924	50	30		IKEARN
Cc1nc(C/C=N/OCc2ccc([N+](=O)[O-])cc2)c(C#N)c(-c2ccc(Cl)cc2)c1C#N	ZINC000008763267	569474406	/nfs/dbraw/zinc/47/44/06/569474406.db2.gz	AMAFMYFHPRTUGT-LUOAPIJWSA-N	0	0	445.866	5.107	50	30		IKEARN
COc1cccc(/C=C/C(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1OC	ZINC000008771501	569475209	/nfs/dbraw/zinc/47/52/09/569475209.db2.gz	OIGYMLUMOQCISE-NTCAYCPXSA-N	0	0	443.930	6.777	50	30		IKEARN
Cc1cccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)c1	ZINC000008782141	569475737	/nfs/dbraw/zinc/47/57/37/569475737.db2.gz	WHSXIYYTOJLSJB-VULFUBBASA-N	0	0	435.980	6.454	50	30		IKEARN
Fc1ccc(CO/N=C/c2c(-c3ccc(Cl)cc3)nc3sc4c(n23)CCCC4)cc1	ZINC000008782142	569475763	/nfs/dbraw/zinc/47/57/63/569475763.db2.gz	AMPIJGOXLGTWHU-LGJNPRDNSA-N	0	0	439.943	6.285	50	30		IKEARN
C=CCNC(=S)N=NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	ZINC000008798159	569476401	/nfs/dbraw/zinc/47/64/01/569476401.db2.gz	BAIFHFONQQJBDB-MSXFZWOLSA-N	0	0	438.380	5.366	50	30		IKEARN
CC[C@@H]1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/c1ccc2c(c1)oc1ccccc12	ZINC000008809747	569476552	/nfs/dbraw/zinc/47/65/52/569476552.db2.gz	KSBOFSXCICFQQR-AYQSFACRSA-N	0	0	427.504	7.014	50	30		IKEARN
Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Cl)cc3Cl)cc1)N2	ZINC000008809787	569476597	/nfs/dbraw/zinc/47/65/97/569476597.db2.gz	JAHNEERZSBIKFN-MCIQNMBGSA-N	0	0	433.382	7.879	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4c(cc(C)cc4C)s3)[C@@H]2c2ccccc2)o1	ZINC000008817538	569476926	/nfs/dbraw/zinc/47/69/26/569476926.db2.gz	HBQGFLGBTVZPQP-OAQYLSRUSA-N	0	0	444.512	5.597	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1	ZINC000008818144	569476965	/nfs/dbraw/zinc/47/69/65/569476965.db2.gz	VHZOHYRWKVKIDZ-UPIFZZQJSA-N	0	0	445.902	5.531	50	30		IKEARN
CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1csc(-c2cccs2)n1	ZINC000008825878	569477517	/nfs/dbraw/zinc/47/75/17/569477517.db2.gz	KGDOUGDCCRODFH-UHFFFAOYSA-N	0	0	449.351	5.053	50	30		IKEARN
Cc1cccc(C)c1OP(=O)(NN=C1c2ccccc2NC1=O)Oc1c(C)cccc1C	ZINC000008826590	569477545	/nfs/dbraw/zinc/47/75/45/569477545.db2.gz	VHIOQTYZGOWZMZ-UHFFFAOYSA-N	0	0	449.447	5.432	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2cccc(Cl)c2)sc1C	ZINC000008836249	569478026	/nfs/dbraw/zinc/47/80/26/569478026.db2.gz	SKDSIEVORVZBEE-LJQANCHMSA-N	0	0	438.936	5.505	50	30		IKEARN
COc1cc(OC)c(OC)cc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1	ZINC000008844010	569478546	/nfs/dbraw/zinc/47/85/46/569478546.db2.gz	XASHDOUKEFRSOZ-AFPJDJCSSA-N	0	0	438.336	5.589	50	30		IKEARN
N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCc2ccccc2C1	ZINC000008844520	569478575	/nfs/dbraw/zinc/47/85/75/569478575.db2.gz	IZNFJDJRSMUONW-UHFFFAOYSA-N	0	0	431.879	5.601	50	30		IKEARN
CCOc1ccc(Nc2oc(-c3ccc(COc4ccc(Cl)cc4)o3)nc2C#N)cc1	ZINC000008845925	569478903	/nfs/dbraw/zinc/47/89/03/569478903.db2.gz	WRXVQXAIOSWQKY-UHFFFAOYSA-N	0	0	435.867	6.181	50	30		IKEARN
COCc1cc(C)nc2sc(-c3ccc([N+](=O)[O-])cc3)c(/N=C/c3ccc(C)cc3)c21	ZINC000008846647	569479167	/nfs/dbraw/zinc/47/91/67/569479167.db2.gz	SEJPPBXUHMDEBF-DHRITJCHSA-N	0	0	431.517	6.385	50	30		IKEARN
COc1ccc(C(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1	ZINC000008854071	569479593	/nfs/dbraw/zinc/47/95/93/569479593.db2.gz	DEZICCZLCIZYLH-UHFFFAOYSA-N	0	0	436.536	6.271	50	30		IKEARN
CCCCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1OC	ZINC000008854740	569479615	/nfs/dbraw/zinc/47/96/15/569479615.db2.gz	FNOYHEBTRUGYFK-HSZRJFAPSA-N	0	0	437.536	5.171	50	30		IKEARN
Clc1ccc(CO/N=C/c2c(SCc3ccccc3)nc3sccn23)c(Cl)c1	ZINC000008855381	569479650	/nfs/dbraw/zinc/47/96/50/569479650.db2.gz	XCIIFZMZOXFJEN-FOKLQQMPSA-N	0	0	448.400	6.546	50	30		IKEARN
COc1ccnc(Oc2ccc(Cl)cc2)c1C(=O)N/C=N/OCc1ccc(Cl)cc1	ZINC000008855353	569479700	/nfs/dbraw/zinc/47/97/00/569479700.db2.gz	RGMDWTYXYYNUNN-UHFFFAOYSA-N	0	0	446.290	5.079	50	30		IKEARN
Cc1ccc(CN=Nc2nc(-c3ccccc3)c(NC(=O)c3ccc(F)cc3)s2)cc1	ZINC000008867497	569480267	/nfs/dbraw/zinc/48/02/67/569480267.db2.gz	FLBQMXJNQVLAEA-CVKSISIWSA-N	0	0	430.508	5.956	50	30		IKEARN
C=CCc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(CC=C)C2=O)c1	ZINC000008872399	569480931	/nfs/dbraw/zinc/48/09/31/569480931.db2.gz	LBUXNANMINAWKD-XLNRJJMWSA-N	0	0	437.586	5.260	50	30		IKEARN
CC(C)(C)c1ccc(OCCOc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000008874756	569480974	/nfs/dbraw/zinc/48/09/74/569480974.db2.gz	OQNKORADTQLUFK-NLRVBDNBSA-N	0	0	433.508	5.796	50	30		IKEARN
Cc1ccccc1Nc1nc(N=NCc2ccccc2)nc(Nc2ccc([N+](=O)[O-])cc2)n1	ZINC000008872721	569480998	/nfs/dbraw/zinc/48/09/98/569480998.db2.gz	JFVONQYVEFVXLQ-BUVRLJJBSA-N	0	0	440.467	5.021	50	30		IKEARN
CNc1nc(N=NCc2cccc3ccccc32)nc(Nc2cccc(C(F)(F)F)c2)n1	ZINC000008872943	569481001	/nfs/dbraw/zinc/48/10/01/569481001.db2.gz	QYLLDAJXAXGQDC-UVHMKAGCSA-N	0	0	437.429	5.275	50	30		IKEARN
CC[C@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000008874987	569481049	/nfs/dbraw/zinc/48/10/49/569481049.db2.gz	ALPLUMUZFQUUBP-RUTRRBQKSA-N	0	0	447.535	6.402	50	30		IKEARN
CC[C@@H](C)c1ccccc1OCCCOc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1	ZINC000008874983	569481056	/nfs/dbraw/zinc/48/10/56/569481056.db2.gz	ALPLUMUZFQUUBP-PZLSILOWSA-N	0	0	447.535	6.402	50	30		IKEARN
COc1cccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)c1	ZINC000008876254	569481101	/nfs/dbraw/zinc/48/11/01/569481101.db2.gz	KKBDZNJFNMHIIW-HXUWFJFHSA-N	0	0	429.516	5.064	50	30	biogenic	IKEARN
Cc1nnc(N=C(Nc2ccccc2)N2N=C(C)S[C@@H]2c2cccc3ccccc32)s1	ZINC000039365167	569481520	/nfs/dbraw/zinc/48/15/20/569481520.db2.gz	XFVDJYLPGSKDJT-OAQYLSRUSA-N	0	0	444.589	6.180	50	30		IKEARN
CSC(=S)[C@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1	ZINC000039931749	569482030	/nfs/dbraw/zinc/48/20/30/569482030.db2.gz	GKAFHCYOKRXHOS-XMMPIXPASA-N	0	0	427.554	5.095	50	30		IKEARN
CSC(=S)[C@@]1(C#N)N=C(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1	ZINC000039931750	569482092	/nfs/dbraw/zinc/48/20/92/569482092.db2.gz	GKAFHCYOKRXHOS-DEOSSOPVSA-N	0	0	427.554	5.095	50	30		IKEARN
FC(F)(F)c1cccc(N2C(=S)N=C(Nc3ccc(Cl)cc3)C23CCCCC3)c1	ZINC000039931732	569482097	/nfs/dbraw/zinc/48/20/97/569482097.db2.gz	FNULKUVSWHSAFH-UHFFFAOYSA-N	0	0	437.918	6.486	50	30		IKEARN
C=CCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c1C	ZINC000008886300	569483241	/nfs/dbraw/zinc/48/32/41/569483241.db2.gz	NWCLVJQCBKLLNE-JTSKRJEESA-N	0	0	449.624	5.671	50	30		IKEARN
CCCOc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)C[C@@H](c2ccco2)C3)cc1	ZINC000008892467	569483453	/nfs/dbraw/zinc/48/34/53/569483453.db2.gz	QRFJIXQSKWMRLJ-KMRXNPHXSA-N	0	0	449.550	7.180	50	30		IKEARN
COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Sc1cc(C)c(C#N)c2nc3ccccc3n21	ZINC000040049308	569483876	/nfs/dbraw/zinc/48/38/76/569483876.db2.gz	YFHUGTGNTPUARE-SJORKVTESA-N	0	0	444.560	5.034	50	30		IKEARN
O=C(/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2o1)c1ccccc1	ZINC000008915581	569485547	/nfs/dbraw/zinc/48/55/47/569485547.db2.gz	ITKBAFZKQLIQIV-CAPFRKAQSA-N	0	0	425.871	7.165	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCc3ccccc3C)ccc2C1=O	ZINC000008917918	569486147	/nfs/dbraw/zinc/48/61/47/569486147.db2.gz	OMJUPSSJNPSREE-ROTLSHHCSA-N	0	0	432.472	5.216	50	30	biogenic	IKEARN
COc1cccc(C(=O)Oc2ccc3c(c2)O/C(=C\C=C\c2ccccc2OC)C3=O)c1	ZINC000008917993	569486170	/nfs/dbraw/zinc/48/61/70/569486170.db2.gz	GJIBXGDDPKVINT-ZSVMCKMMSA-N	0	0	428.440	5.095	50	30	biogenic	IKEARN
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccc(C(C)C)cc2)cc1	ZINC000008921366	569486827	/nfs/dbraw/zinc/48/68/27/569486827.db2.gz	XDMMNKSTZOZEBT-NRFANRHFSA-N	0	0	448.544	5.448	50	30		IKEARN
CN1CCc2c(sc(/N=C/c3ccccc3Cl)c2C(=O)Nc2ccc(Cl)cc2)C1	ZINC000008923781	569487044	/nfs/dbraw/zinc/48/70/44/569487044.db2.gz	HGTVCTQKXFJZAW-BRJLIKDPSA-N	0	0	444.387	6.046	50	30		IKEARN
CN1CCc2c(sc(/N=C/c3ccccc3F)c2C(=O)Nc2ccc(Cl)cc2)C1	ZINC000008923777	569487064	/nfs/dbraw/zinc/48/70/64/569487064.db2.gz	JOZJHVDGWOSZEJ-BRJLIKDPSA-N	0	0	427.932	5.531	50	30		IKEARN
Cc1ccc(NC=C2SC(=Nc3ccc(C4CCCCC4)cc3)N(C)C2=O)cc1Cl	ZINC000008927952	569487342	/nfs/dbraw/zinc/48/73/42/569487342.db2.gz	FEOYDAIPBVXBKG-VBMYQUNLSA-N	0	0	440.012	6.842	50	30		IKEARN
Cc1ccc(C)c(CN2c3ccccc3[C@](O)(CC(=O)C=CC=Cc3ccccc3)C2=O)c1	ZINC000008927842	569487362	/nfs/dbraw/zinc/48/73/62/569487362.db2.gz	PSFVPAFHAATMEL-OUKPMHHTSA-N	0	0	437.539	5.267	50	30		IKEARN
Cc1c(C#N)c(N)c(C(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(Br)cc1	ZINC000008934136	569487918	/nfs/dbraw/zinc/48/79/18/569487918.db2.gz	ZAZGPSFUYLVTJS-UHFFFAOYSA-N	0	0	438.369	5.401	50	30		IKEARN
Nc1ccc(Cc2ccc(NC3=C(N4CCCCC4)C(=O)c4ccccc4C3=O)cc2)cc1	ZINC000008934596	569487966	/nfs/dbraw/zinc/48/79/66/569487966.db2.gz	XPJRZJVEPMVSFQ-UHFFFAOYSA-N	0	0	437.543	5.048	50	30		IKEARN
C=CCN1C(=O)N(c2cccc(Cl)c2)[C@H](N(O)C(=O)Nc2cccc(Cl)c2)C1(C)C	ZINC000008934548	569487973	/nfs/dbraw/zinc/48/79/73/569487973.db2.gz	FWFBMORQGDLJPJ-GOSISDBHSA-N	0	0	449.338	5.449	50	30		IKEARN
Cc1c(C)n(Cc2ccc(F)cc2)c(NC(=O)CN2CCC[C@@H]2c2cccs2)c1C#N	ZINC000008936456	569488000	/nfs/dbraw/zinc/48/80/00/569488000.db2.gz	ACGLIPLICULNBP-OAQYLSRUSA-N	0	0	436.556	5.001	50	30		IKEARN
C/C(=N\OCC(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(Br)cc1	ZINC000008952264	569490023	/nfs/dbraw/zinc/49/00/23/569490023.db2.gz	RZKMYTZIOJIAPY-ZMOGYAJESA-N	0	0	446.370	5.030	50	30		IKEARN
CC(=O)C1=C(C)Nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2[C@H]1c1ccc(F)cc1	ZINC000008965001	569491245	/nfs/dbraw/zinc/49/12/45/569491245.db2.gz	BTMOUTKVMTXKRI-SFHVURJKSA-N	0	0	440.927	5.774	50	30		IKEARN
N#Cc1ccc(CSc2nnc(NC(=O)[C@@H]3CCC[C@H](C(F)(F)F)C3)s2)cc1	ZINC000040140470	569491638	/nfs/dbraw/zinc/49/16/38/569491638.db2.gz	QZLAYNKWUAXCBM-KGLIPLIRSA-N	0	0	426.489	5.009	50	30		IKEARN
C=CCN(C(=O)CSc1nnc(Cc2ccccc2)o1)c1nc(-c2ccccc2)cs1	ZINC000008966283	569491713	/nfs/dbraw/zinc/49/17/13/569491713.db2.gz	IITVMJLXJKBFMV-UHFFFAOYSA-N	0	0	448.573	5.095	50	30		IKEARN
N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1	ZINC000040152477	569493451	/nfs/dbraw/zinc/49/34/51/569493451.db2.gz	FTGQIYPHKLMWPA-UHFFFAOYSA-N	0	0	447.523	5.671	50	30		IKEARN
N#Cc1ccc(CN(CC(=O)Nc2ccc(F)cc2Cl)Cc2cccc(F)c2)cc1	ZINC000040158293	569494544	/nfs/dbraw/zinc/49/45/44/569494544.db2.gz	LHJHMHUWYODGKK-UHFFFAOYSA-N	0	0	425.866	5.131	50	30		IKEARN
CC(C)(C)[C@@H]1CCc2nc(SCc3ccccc3Cl)c(C#N)c(C(F)(F)F)c2C1	ZINC000008992205	569495313	/nfs/dbraw/zinc/49/53/13/569495313.db2.gz	PPYSDCPHSOLLIL-CQSZACIVSA-N	0	0	438.946	7.069	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)/C=C/c4ccccc4)c3C)C2=O)c2ccccc21	ZINC000008993395	569495428	/nfs/dbraw/zinc/49/54/28/569495428.db2.gz	DQNPXMGSPSHECL-OFJVMFQISA-N	0	0	449.506	6.205	50	30		IKEARN
Cc1nc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(Cl)cc2)sc1C	ZINC000009008751	569496273	/nfs/dbraw/zinc/49/62/73/569496273.db2.gz	XTXKQCXRYHKGAZ-LJQANCHMSA-N	0	0	438.936	5.505	50	30		IKEARN
Cc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000009015443	569496726	/nfs/dbraw/zinc/49/67/26/569496726.db2.gz	GGQVKOBJGQNUHL-ZHSJKAEUSA-N	0	0	440.455	5.086	50	30		IKEARN
CC[C@@H]1S/C(=N\N=C\c2ccc(N(C)C)cc2)N(Cc2cccc3ccccc32)C1=O	ZINC000009019412	569496893	/nfs/dbraw/zinc/49/68/93/569496893.db2.gz	DDCGVESJPRQDSU-UIAIJNLVSA-N	0	0	430.577	5.150	50	30		IKEARN
COc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(C)c(Cl)c1	ZINC000009019927	569496993	/nfs/dbraw/zinc/49/69/93/569496993.db2.gz	FUBHKXHBINXWTC-QFIPXVFZSA-N	0	0	433.891	5.440	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)C(F)(F)F)[C@@H]2c1ccc(Cl)cc1	ZINC000009042550	569497798	/nfs/dbraw/zinc/49/77/98/569497798.db2.gz	LBSGRTAVMWOUBO-HXUWFJFHSA-N	0	0	448.872	6.045	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2ccccc2)cc1	ZINC000009046408	569498370	/nfs/dbraw/zinc/49/83/70/569498370.db2.gz	WITXNGJCWMBPKR-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
O=C(/C=C/c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F)c1ccccc1	ZINC000009075297	569500197	/nfs/dbraw/zinc/50/01/97/569500197.db2.gz	PGZPXOLVWIKSEO-ZHACJKMWSA-N	0	0	440.421	5.024	50	30		IKEARN
CCCCC(=O)N1c2ccccc2NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OCC)cc1	ZINC000009082830	569500548	/nfs/dbraw/zinc/50/05/48/569500548.db2.gz	CYZDTEZSZIBLNC-MHZLTWQESA-N	0	0	446.591	6.419	50	30		IKEARN
C=CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(c1ccccc1)c1ccccc1	ZINC000009095308	569501355	/nfs/dbraw/zinc/50/13/55/569501355.db2.gz	BNQQRPLVSYHYJD-UHFFFAOYSA-N	0	0	443.934	5.737	50	30		IKEARN
CCc1cccc(C)c1/N=C1/N=C(N2CCOCC2)N(c2ccc(C)cc2)C12CCCCC2	ZINC000009113833	569502543	/nfs/dbraw/zinc/50/25/43/569502543.db2.gz	AXAIDBXKQHQGMY-PBBVDAKRSA-N	0	0	444.623	5.807	50	30		IKEARN
CCOc1ccc(/C=C2\C[C@@H](C)C/C(=C/c3ccc(OCC)c(OC)c3)C2=O)cc1OC	ZINC000245309126	569502547	/nfs/dbraw/zinc/50/25/47/569502547.db2.gz	BJDCCWRIZUGCMN-SNLUFJLXSA-N	0	0	436.548	5.967	50	30		IKEARN
C=CCn1cc(OC(=O)CCCCC)c2c3nc4ccccc4n3c(CCCCC)nc21	ZINC000009124198	569504245	/nfs/dbraw/zinc/50/42/45/569504245.db2.gz	CQPCPDAAKXBLTB-UHFFFAOYSA-N	0	0	432.568	6.242	50	30		IKEARN
O=C1C[C@@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@H](c3cccnc3)C12	ZINC000009124688	569504405	/nfs/dbraw/zinc/50/44/05/569504405.db2.gz	GIOTYPOMJYHBOR-BXKMTCNYSA-N	0	0	426.907	5.500	50	30		IKEARN
O=C1C[C@H](c2cccc(Cl)c2)CC2=Nc3nc4ccccc4n3[C@@H](c3cccnc3)C12	ZINC000009124691	569504407	/nfs/dbraw/zinc/50/44/07/569504407.db2.gz	GIOTYPOMJYHBOR-OSPHWJPCSA-N	0	0	426.907	5.500	50	30		IKEARN
Cc1ccc(C[C@@H](C#N)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	ZINC000009127133	569505092	/nfs/dbraw/zinc/50/50/92/569505092.db2.gz	FTXQUHLYBKMXMY-XXBNENTESA-N	0	0	449.599	5.489	50	30		IKEARN
Cc1ccc(C[C@H](C#N)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cc1	ZINC000009127136	569505113	/nfs/dbraw/zinc/50/51/13/569505113.db2.gz	FTXQUHLYBKMXMY-WMZHIEFXSA-N	0	0	449.599	5.489	50	30		IKEARN
CCc1ccc(-c2nc(C)c(C(=O)C=C3NCCc4cc(OC)c(OC)cc43)s2)cc1	ZINC000009129155	569505682	/nfs/dbraw/zinc/50/56/82/569505682.db2.gz	KXYVMHWSVNSIQI-ZHZULCJRSA-N	0	0	434.561	5.068	50	30		IKEARN
CN(C)c1ccc([C@H]2C=C3c4cc5c(cc4CCN3C3=C2C(=O)CC(C)(C)C3)OCO5)cc1	ZINC000009129367	569505706	/nfs/dbraw/zinc/50/57/06/569505706.db2.gz	QXJIZEDAZFEIDY-OAQYLSRUSA-N	0	0	442.559	5.121	50	30	biogenic	IKEARN
COc1cccc([C@@H](CNc2ccc([N+](=O)[O-])cc2C#N)c2c[nH]c3ccccc32)c1OC	ZINC000009129464	569505748	/nfs/dbraw/zinc/50/57/48/569505748.db2.gz	WOOGOCIEDKHGGR-OAQYLSRUSA-N	0	0	442.475	5.209	50	30		IKEARN
CCc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc21)CCCC3	ZINC000009144573	569507311	/nfs/dbraw/zinc/50/73/11/569507311.db2.gz	VQDVPEUZVOLXPV-LQKURTRISA-N	0	0	437.568	6.088	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1cccc(Br)c1	ZINC000009152906	569507902	/nfs/dbraw/zinc/50/79/02/569507902.db2.gz	XKEPVSNMDWHMTM-IBGZPJMESA-N	0	0	448.364	6.040	50	30		IKEARN
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)NC3=C2C(=O)CC(C)(C)C3)cc1OC	ZINC000009152914	569507942	/nfs/dbraw/zinc/50/79/42/569507942.db2.gz	KBQUSGHVQXUMDC-QFIPXVFZSA-N	0	0	443.547	5.603	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O)c1ccccc1F	ZINC000009159737	569508660	/nfs/dbraw/zinc/50/86/60/569508660.db2.gz	JHWMCDOEEBXIEY-JAIQZWGSSA-N	0	0	439.236	5.424	50	30		IKEARN
C=CCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)c(C)c2)CC1=O	ZINC000009191678	569510640	/nfs/dbraw/zinc/51/06/40/569510640.db2.gz	XHFWNDUQKMPAKG-IBGZPJMESA-N	0	0	437.971	5.359	50	30		IKEARN
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc([N+](=O)[O-])ccc2O[C@@H]3c2ccccc2)cc1	ZINC000009216571	569512145	/nfs/dbraw/zinc/51/21/45/569512145.db2.gz	KHMPSGMVRIWTHT-UKILVPOCSA-N	0	0	427.460	5.402	50	30		IKEARN
COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc4cccnc43)c2C#N)cc1	ZINC000009222251	569512697	/nfs/dbraw/zinc/51/26/97/569512697.db2.gz	SEHYZRUDIJDDCJ-UHFFFAOYSA-N	0	0	440.528	5.216	50	30		IKEARN
Cc1cc(C)c(NC(=O)CSc2cc(C)c(C#N)c3nc4ccccc4n32)c(Cl)c1	ZINC000009223522	569512978	/nfs/dbraw/zinc/51/29/78/569512978.db2.gz	QDZPAGWMNMSOAI-UHFFFAOYSA-N	0	0	434.952	5.669	50	30		IKEARN
Cc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@H]3c3ccc(F)cc3)sc2c1	ZINC000009233996	569513941	/nfs/dbraw/zinc/51/39/41/569513941.db2.gz	CATUEGNQZGESCX-OAQYLSRUSA-N	0	0	444.487	5.527	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nc3ccc(C)cc3s2)cc1	ZINC000009234756	569513962	/nfs/dbraw/zinc/51/39/62/569513962.db2.gz	VKFFDQKYTSFJKJ-FQEVSTJZSA-N	0	0	430.485	5.289	50	30		IKEARN
C=CCn1c2ccccc2nc1SCc1csc(CC(=O)Nc2cc(C)ccc2C)n1	ZINC000009245340	569515259	/nfs/dbraw/zinc/51/52/59/569515259.db2.gz	XEDDPPSYOVSQAQ-UHFFFAOYSA-N	0	0	448.617	5.769	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Br)cc1	ZINC000009246553	569515426	/nfs/dbraw/zinc/51/54/26/569515426.db2.gz	KQWHDJSPWCHABU-LJQANCHMSA-N	0	0	434.333	5.387	50	30		IKEARN
C=C(C)CSc1nn(CC(=C)C)c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3	ZINC000009250942	569515741	/nfs/dbraw/zinc/51/57/41/569515741.db2.gz	FWJWDMASYPTBJP-UHFFFAOYSA-N	0	0	432.593	5.170	50	30	biogenic	IKEARN
COc1ccc2nc(N3C(=O)C(O)=C(C(=O)c4ccccc4)[C@@H]3c3ccccc3)sc2c1	ZINC000009271117	569517787	/nfs/dbraw/zinc/51/77/87/569517787.db2.gz	MCVJPECZYLSNJA-NRFANRHFSA-N	0	0	442.496	5.088	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Cl)cc2Cl)cc1	ZINC000009272349	569517896	/nfs/dbraw/zinc/51/78/96/569517896.db2.gz	BFBQHFCODFMFJQ-FQEVSTJZSA-N	0	0	442.298	5.673	50	30		IKEARN
O=C(/C=C/c1ccc(Cl)cc1Cl)c1cc(Cl)ccc1OC(=O)N1CCOCC1	ZINC000009272164	569517952	/nfs/dbraw/zinc/51/79/52/569517952.db2.gz	DKVHLNFWHOMDQL-GORDUTHDSA-N	0	0	440.710	5.374	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2ccc(C)cc2)cc1	ZINC000009272964	569517976	/nfs/dbraw/zinc/51/79/76/569517976.db2.gz	BNCHRZHHDKYFIN-QFIPXVFZSA-N	0	0	440.524	5.696	50	30		IKEARN
Cc1cccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Br)cc2)c1	ZINC000009272871	569518027	/nfs/dbraw/zinc/51/80/27/569518027.db2.gz	IRYULHGESAUXQR-NRFANRHFSA-N	0	0	448.316	5.540	50	30		IKEARN
COc1ccc(C(=O)COc2ccc3c(c2)OC(=Cc2c(F)cccc2Cl)C3=O)cc1	ZINC000009281037	569518587	/nfs/dbraw/zinc/51/85/87/569518587.db2.gz	GATAVEFWMRFZKW-FMCGGJTJSA-N	0	0	438.838	5.366	50	30		IKEARN
CCc1c(C)c(C#N)c2nc3ccccc3n2c1NN=Cc1cc2ccccc2nc1Cl	ZINC000009291166	569519816	/nfs/dbraw/zinc/51/98/16/569519816.db2.gz	KYJHRUCURXVAEH-CCVNUDIWSA-N	0	0	438.922	5.878	50	30		IKEARN
C=CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CCN(c2ccccc2Cl)CC1	ZINC000009291883	569519860	/nfs/dbraw/zinc/51/98/60/569519860.db2.gz	LRDDZEVYDOZQAT-UHFFFAOYSA-N	0	0	441.966	5.376	50	30		IKEARN
O=[N+]([O-])c1ccccc1-c1ccc(CN=Nc2ncnc3scc(-c4ccccc4)c32)o1	ZINC000009291752	569519880	/nfs/dbraw/zinc/51/98/80/569519880.db2.gz	RFGYULNXBKUNBG-RPPGKUMJSA-N	0	0	441.472	5.973	50	30		IKEARN
CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccc(C)c(C)c1	ZINC000009305708	569521280	/nfs/dbraw/zinc/52/12/80/569521280.db2.gz	LTLKXHYORSIHQV-BLEOTABNSA-N	0	0	442.584	6.506	50	30		IKEARN
Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2N[C@H](C)c2ccccc2)cc1	ZINC000009308085	569521451	/nfs/dbraw/zinc/52/14/51/569521451.db2.gz	VDOMZKUFTRTACE-OAQYLSRUSA-N	0	0	430.555	6.740	50	30		IKEARN
Cc1ccc(Cc2c(C)c(C#N)c3nc4ccccc4n3c2NCCCn2ccnc2)cc1	ZINC000009308153	569521453	/nfs/dbraw/zinc/52/14/53/569521453.db2.gz	GNCZBMIBVFONFQ-UHFFFAOYSA-N	0	0	434.547	5.266	50	30		IKEARN
Cc1c(C#N)c2nc3ccccc3n2c(NC2CCCCC2)c1Cc1ccccc1Cl	ZINC000009308524	569521521	/nfs/dbraw/zinc/52/15/21/569521521.db2.gz	GUINMQIAKLRUJN-UHFFFAOYSA-N	0	0	428.967	6.656	50	30		IKEARN
C=CCN(Cc1ccc(Cl)s1)C(=O)c1cn(Cc2ccccc2)nc1-c1cccnc1	ZINC000009336854	569523468	/nfs/dbraw/zinc/52/34/68/569523468.db2.gz	PFHTWKMAXNYENN-UHFFFAOYSA-N	0	0	448.979	5.537	50	30		IKEARN
COc1cc(C(=O)N=C2Nc3ccccc3N=C(C)[C@@H]2c2ccccc2)cc(OC)c1OC	ZINC000009340102	569523774	/nfs/dbraw/zinc/52/37/74/569523774.db2.gz	XAXXPBMVXIXMNA-HSZRJFAPSA-N	0	0	443.503	5.253	50	30		IKEARN
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccc(C)cc3)[C@@H]2c2cccc3ccccc32)s1	ZINC000009339454	569523813	/nfs/dbraw/zinc/52/38/13/569523813.db2.gz	ZTEXITHKHWRTMF-NRFANRHFSA-N	0	0	441.512	5.091	50	30		IKEARN
O=C(/C=C/c1ccccc1)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1Cl)C2=O	ZINC000009341735	569523884	/nfs/dbraw/zinc/52/38/84/569523884.db2.gz	ZHSXGZNCWRLPAZ-AMMSGCIUSA-N	0	0	437.278	6.228	50	30		IKEARN
COc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1	ZINC000009344880	569524100	/nfs/dbraw/zinc/52/41/00/569524100.db2.gz	XMHJAHMAVCZNBK-QAYGKXGKSA-N	0	0	449.580	5.049	50	30		IKEARN
COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc([N+](=O)[O-])cc3c2-c2ccccc2)cc1	ZINC000009353283	569524935	/nfs/dbraw/zinc/52/49/35/569524935.db2.gz	CAMUSEPURBNFJG-NTEUORMPSA-N	0	0	426.428	5.008	50	30		IKEARN
CC(=O)c1c(-c2ccccc2)nc2c(C#N)c(C)n(-c3ccccc3)c2c1-c1ccccc1	ZINC000009353375	569524944	/nfs/dbraw/zinc/52/49/44/569524944.db2.gz	UJOIYMNSRZBMPK-UHFFFAOYSA-N	0	0	427.507	6.742	50	30		IKEARN
CCCCOc1cccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CC)c1	ZINC000009358285	569525588	/nfs/dbraw/zinc/52/55/88/569525588.db2.gz	WYVIQTDQUKLAOC-HHHXNRCGSA-N	0	0	446.591	6.419	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1Cl	ZINC000009370880	569526880	/nfs/dbraw/zinc/52/68/80/569526880.db2.gz	QHLYBKWHGDWSFG-NRFANRHFSA-N	0	0	438.310	6.085	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@H]2c2cccc(F)c2)cc1	ZINC000009373813	569527090	/nfs/dbraw/zinc/52/70/90/569527090.db2.gz	CTGSYTYMMWJPPE-NRFANRHFSA-N	0	0	444.487	5.527	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2Cc2ccccc2)cc1	ZINC000009373725	569527107	/nfs/dbraw/zinc/52/71/07/569527107.db2.gz	VONWDIDJWONXBY-BVZFJXPGSA-N	0	0	439.511	5.097	50	30		IKEARN
N#Cc1c(SCC(=O)c2ccc(Cl)cc2)nc2c(c1-c1ccc(F)cc1)CCCC2	ZINC000009375586	569527183	/nfs/dbraw/zinc/52/71/83/569527183.db2.gz	JQLDIHIIGNBHBX-UHFFFAOYSA-N	0	0	436.939	6.267	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000009374861	569527224	/nfs/dbraw/zinc/52/72/24/569527224.db2.gz	RGKVZZAQWZAPHF-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccc(OC)cc2)cc1	ZINC000009379858	569527804	/nfs/dbraw/zinc/52/78/04/569527804.db2.gz	ALMHUHLBSFVWIG-JOCHJYFZSA-N	0	0	449.890	5.140	50	30		IKEARN
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2cccc(Br)c2)cc1	ZINC000009380129	569527827	/nfs/dbraw/zinc/52/78/27/569527827.db2.gz	RWXQMXUNKHPHCM-NRFANRHFSA-N	0	0	448.316	5.540	50	30		IKEARN
C=CCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccc(C(C)C)cc1	ZINC000009380536	569527877	/nfs/dbraw/zinc/52/78/77/569527877.db2.gz	STGLCLJCVUQQJK-HXUWFJFHSA-N	0	0	440.337	5.337	50	30		IKEARN
COc1ccc(N2C(=O)C(=O)C(=C(O)C=Cc3ccccc3)[C@@H]2c2ccccc2F)cc1	ZINC000009380226	569527910	/nfs/dbraw/zinc/52/79/10/569527910.db2.gz	MGLATFUNRHULEZ-OGNZMEIHSA-N	0	0	429.447	5.017	50	30		IKEARN
CCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(Br)cc1	ZINC000009380693	569528013	/nfs/dbraw/zinc/52/80/13/569528013.db2.gz	DQABYKGBWCPQHX-IBGZPJMESA-N	0	0	428.326	5.136	50	30		IKEARN
N#Cc1ccc(-c2ccc(OC(=O)CSc3nnc(-c4ccccc4Cl)o3)cc2)cc1	ZINC000009415022	569532105	/nfs/dbraw/zinc/53/21/05/569532105.db2.gz	YRPMJQBUZUWBPI-UHFFFAOYSA-N	0	0	447.903	5.626	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1ccccc1Cl	ZINC000009419626	569532531	/nfs/dbraw/zinc/53/25/31/569532531.db2.gz	HIAXUMMNQYNGAQ-JAIQZWGSSA-N	0	0	447.295	5.377	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)N(c1ccccc1)c1ccccc1	ZINC000009419854	569532611	/nfs/dbraw/zinc/53/26/11/569532611.db2.gz	UZVVTXSERABMND-ULJHMMPZSA-N	0	0	439.492	6.701	50	30		IKEARN
CC(C)(C)NC(=O)CSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2	ZINC000009420591	569532670	/nfs/dbraw/zinc/53/26/70/569532670.db2.gz	FBNASVVGMBAFSK-GFCCVEGCSA-N	0	0	427.536	5.130	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OC(=O)c4ccco4)c3C)C2=O)c2cc(OC)ccc21	ZINC000009421892	569532778	/nfs/dbraw/zinc/53/27/78/569532778.db2.gz	JERPKLSNTQTINY-FSJBWODESA-N	0	0	443.455	5.407	50	30		IKEARN
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(OCc4ccccc4)c3C)C1=O)cn2C	ZINC000009421991	569532838	/nfs/dbraw/zinc/53/28/38/569532838.db2.gz	DLHKJDIVTWAODG-DHRITJCHSA-N	0	0	425.484	5.691	50	30		IKEARN
COc1cccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)c2C#N)CCCC3)c1	ZINC000009422447	569532839	/nfs/dbraw/zinc/53/28/39/569532839.db2.gz	XSIAUQGZEQIJLK-UHFFFAOYSA-N	0	0	449.498	5.370	50	30		IKEARN
Cc1c2c(ccc1OC(=O)c1ccccc1F)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422695	569532873	/nfs/dbraw/zinc/53/28/73/569532873.db2.gz	RZDOLDJTKJQRIO-YDZHTSKRSA-N	0	0	427.431	5.461	50	30		IKEARN
Cc1c2c(ccc1OCc1ccc(Cl)cc1)C(=O)/C(=C\c1cn(C)c3ccccc13)O2	ZINC000009422978	569532920	/nfs/dbraw/zinc/53/29/20/569532920.db2.gz	VRYCFNBHOQHNDY-ZMOGYAJESA-N	0	0	429.903	6.335	50	30		IKEARN
COc1ccc(COc2ccc3c(c2C)O/C(=C/c2cn(C)c4ccccc24)C3=O)cc1	ZINC000009423513	569532932	/nfs/dbraw/zinc/53/29/32/569532932.db2.gz	SSXRZBWBNNBAIX-AFUMVMLFSA-N	0	0	425.484	5.691	50	30		IKEARN
CCn1cc(/C=C2/Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21	ZINC000009423358	569532958	/nfs/dbraw/zinc/53/29/58/569532958.db2.gz	ATJSAJFWWHJFQK-JFLMPSFJSA-N	0	0	437.539	6.782	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2ccc(OCC)cc2)C1=O	ZINC000009434647	569534749	/nfs/dbraw/zinc/53/47/49/569534749.db2.gz	RVVCUTSUDHDJGC-QGOAFFKASA-N	0	0	429.925	5.282	50	30		IKEARN
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2Cc2ccco2)cc1	ZINC000009436532	569534915	/nfs/dbraw/zinc/53/49/15/569534915.db2.gz	YXFZMSMIGYMCDQ-OAQYLSRUSA-N	0	0	437.879	5.110	50	30		IKEARN
CCCC[C@H]1S/C(=N/N=C/c2ccc(Cl)cc2)N(Cc2ccc(OC)cc2)C1=O	ZINC000009457633	569536768	/nfs/dbraw/zinc/53/67/68/569536768.db2.gz	ZPBMBACIKDGMLR-AXMNZLFYSA-N	0	0	429.973	5.373	50	30		IKEARN
CC(C)c1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2c2nccs2)cc1	ZINC000009461025	569537045	/nfs/dbraw/zinc/53/70/45/569537045.db2.gz	FXHGIRNXNZEHNV-OAQYLSRUSA-N	0	0	444.512	5.796	50	30		IKEARN
CCCC[C@@H]1S/C(=N\N=C\c2ccccc2OC)N(Cc2cccc3ccccc32)C1=O	ZINC000009461650	569537093	/nfs/dbraw/zinc/53/70/93/569537093.db2.gz	NMMJOEFPUHGEBF-MLKPGFSBSA-N	0	0	445.588	5.873	50	30		IKEARN
CCC[C@H]1S/C(=N\N=C\c2ccc(Br)cc2)N(Cc2ccccc2)C1=O	ZINC000009462448	569537284	/nfs/dbraw/zinc/53/72/84/569537284.db2.gz	OOFYOLZPPLKISU-DRNJXZDHSA-N	0	0	430.371	5.083	50	30		IKEARN
Cc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl	ZINC000009464616	569537742	/nfs/dbraw/zinc/53/77/42/569537742.db2.gz	GRPULRAITOAXSH-OAQYLSRUSA-N	0	0	448.862	5.340	50	30		IKEARN
COc1ccc2c(c1)nc(SCC(=O)[C@H](C#N)c1nc(C)cs1)cc2-c1ccccc1	ZINC000009465038	569537880	/nfs/dbraw/zinc/53/78/80/569537880.db2.gz	NYKLDOIUVRAZKW-FQEVSTJZSA-N	0	0	445.569	5.644	50	30		IKEARN
C[C@H](Sc1nc2ccccc2c(Nc2ccccc2)n1)C(=O)Nc1sccc1C#N	ZINC000009468964	569538763	/nfs/dbraw/zinc/53/87/63/569538763.db2.gz	OPIKJLZJGMSRJN-AWEZNQCLSA-N	0	0	431.546	5.426	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1F	ZINC000009472410	569538941	/nfs/dbraw/zinc/53/89/41/569538941.db2.gz	CGNMNWIRDOOKSD-HSZRJFAPSA-N	0	0	447.506	5.803	50	30		IKEARN
Cc1ccc(C(=O)C2C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Cl)c2)cc1F	ZINC000009472402	569539004	/nfs/dbraw/zinc/53/90/04/569539004.db2.gz	PLILWHSEBIIFHH-HXUWFJFHSA-N	0	0	425.843	5.159	50	30		IKEARN
COc1cccc(-n2c3nc(SCC#N)n4c5ccccc5nc4c3sc2=S)c1	ZINC000009474076	569539063	/nfs/dbraw/zinc/53/90/63/569539063.db2.gz	ZXPXRUIYJBYFAL-UHFFFAOYSA-N	0	0	435.559	5.242	50	30		IKEARN
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC/C=C/c3ccccc3)ccc2C1=O	ZINC000009476698	569539084	/nfs/dbraw/zinc/53/90/84/569539084.db2.gz	OFJJUNUHELSILW-LUTOAVKISA-N	0	0	444.483	5.421	50	30		IKEARN
O=C1c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2O/C1=C\c1cccc(Cl)c1	ZINC000009486218	569539584	/nfs/dbraw/zinc/53/95/84/569539584.db2.gz	XPGHZIMFXBSDLN-JAIQZWGSSA-N	0	0	447.295	5.377	50	30		IKEARN
O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O)c1ccccc1	ZINC000009486257	569539602	/nfs/dbraw/zinc/53/96/02/569539602.db2.gz	ZFANWYHKOXQKNJ-FBHDLOMBSA-N	0	0	434.831	5.042	50	30		IKEARN
C=CCn1c(S[C@@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1C1CCCCC1	ZINC000009492073	569540491	/nfs/dbraw/zinc/54/04/91/569540491.db2.gz	ZKCFLTBIRMLMFS-AWEZNQCLSA-N	0	0	429.615	5.280	50	30		IKEARN
C=CCn1c(S[C@H](C)c2nc(=O)c3c(C)c(C)sc3[nH]2)nnc1C1CCCCC1	ZINC000009492072	569540515	/nfs/dbraw/zinc/54/05/15/569540515.db2.gz	ZKCFLTBIRMLMFS-CQSZACIVSA-N	0	0	429.615	5.280	50	30		IKEARN
C=CCn1c(COc2ccccc2F)nnc1SCC(=O)C12CC3CC(CC(C3)C1)C2	ZINC000009492127	569540530	/nfs/dbraw/zinc/54/05/30/569540530.db2.gz	ALIAZMWIIPERKD-UHFFFAOYSA-N	0	0	441.572	5.060	50	30		IKEARN
CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)s1)C1=C(CC(C)(C)CC1=O)N2	ZINC000009494405	569540916	/nfs/dbraw/zinc/54/09/16/569540916.db2.gz	BDWARKGJTKUSIN-KRWDZBQOSA-N	0	0	429.611	5.233	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2Br)C1	ZINC000009495996	569541158	/nfs/dbraw/zinc/54/11/58/569541158.db2.gz	BUCZZPGFJTTWJZ-FQEVSTJZSA-N	0	0	440.316	5.596	50	30		IKEARN
CC1(C)CC(=O)C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2Br)C1	ZINC000009495998	569541184	/nfs/dbraw/zinc/54/11/84/569541184.db2.gz	BUCZZPGFJTTWJZ-HXUWFJFHSA-N	0	0	440.316	5.596	50	30		IKEARN
CN(Cc1nc2scc(-c3ccccc3)c2c(=O)n1CC#N)[C@@H]1CCCc2ccccc21	ZINC000009499138	569541418	/nfs/dbraw/zinc/54/14/18/569541418.db2.gz	UHDLVPVHQBJGHS-JOCHJYFZSA-N	0	0	440.572	5.158	50	30		IKEARN
C=CCn1c(SCC(=O)NCc2ccc(Cl)cc2Cl)nnc1C1CCCCC1	ZINC000009507799	569542145	/nfs/dbraw/zinc/54/21/45/569542145.db2.gz	ULUJQQUOZIGKQF-UHFFFAOYSA-N	0	0	439.412	5.227	50	30		IKEARN
CCCCCOc1ccc(/C=N/N=c2\sc3cc(C)ccc3n2Cc2ccccc2)cc1	ZINC000009514057	569543152	/nfs/dbraw/zinc/54/31/52/569543152.db2.gz	ZZZCASQHTLXFSC-MTNYMUFXSA-N	0	0	443.616	6.563	50	30		IKEARN
CCOC(=O)[C@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl	ZINC000009530653	569545005	/nfs/dbraw/zinc/54/50/05/569545005.db2.gz	OOSISOAQXUCCMB-KRWDZBQOSA-N	0	0	435.204	5.113	50	30		IKEARN
CCOC(=O)[C@@](C#N)(Cc1c(F)cccc1Cl)c1ncc(C(F)(F)F)cc1Cl	ZINC000009530655	569545027	/nfs/dbraw/zinc/54/50/27/569545027.db2.gz	OOSISOAQXUCCMB-QGZVFWFLSA-N	0	0	435.204	5.113	50	30		IKEARN
Cc1ccc(C)c(COc2ccc3c(c2)O/C(=C\c2cc(Cl)cc4c2OCOC4)C3=O)c1	ZINC000009530491	569545032	/nfs/dbraw/zinc/54/50/32/569545032.db2.gz	CJICIXXDVDZADR-VROXFSQNSA-N	0	0	448.902	6.019	50	30		IKEARN
O=c1c2c3c(sc2nc(N/N=C/c2ccc(Cl)cc2)n1Cc1ccccc1)CCC3	ZINC000009553747	569546743	/nfs/dbraw/zinc/54/67/43/569546743.db2.gz	FDQRMKXRVWOAHI-DHRITJCHSA-N	0	0	434.952	5.094	50	30		IKEARN
CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3F)sc2C1	ZINC000009553777	569546752	/nfs/dbraw/zinc/54/67/52/569546752.db2.gz	YTFOFHPHFLKROS-CYBMUJFWSA-N	0	0	429.586	5.427	50	30		IKEARN
Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(C[C@H](c3ccc(O)cc3)CC1=O)N2	ZINC000009575284	569547927	/nfs/dbraw/zinc/54/79/27/569547927.db2.gz	SCVOZDPFOPEBOP-YEJXKQKISA-N	0	0	441.314	5.954	50	30		IKEARN
N#Cc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1	ZINC000009584120	569549325	/nfs/dbraw/zinc/54/93/25/569549325.db2.gz	VZAKXLBXBGTEHZ-UHFFFAOYSA-N	0	0	426.910	5.207	50	30		IKEARN
COc1ccc2c(c1)nc(SCC(=O)Nc1sccc1C#N)cc2-c1ccccc1	ZINC000009593841	569550458	/nfs/dbraw/zinc/55/04/58/569550458.db2.gz	ZDSLJQJBRFRBJD-UHFFFAOYSA-N	0	0	431.542	5.574	50	30		IKEARN
COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597277	569550860	/nfs/dbraw/zinc/55/08/60/569550860.db2.gz	ZBAISACIXZAJKW-JOCHJYFZSA-N	0	0	442.563	5.352	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(F)cc4)nn3[C@@H](c3cccc(Cl)c3)C12	ZINC000009597396	569550928	/nfs/dbraw/zinc/55/09/28/569550928.db2.gz	WVALXGHEJZMJIN-FQEVSTJZSA-N	0	0	440.931	5.385	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1[nH]nc(-c3ccccc3)c1[C@H]2c1ccc(Br)cc1	ZINC000009597504	569550929	/nfs/dbraw/zinc/55/09/29/569550929.db2.gz	LMXNIIPRPXQZDN-IBGZPJMESA-N	0	0	448.364	6.040	50	30		IKEARN
CCc1ccc(-c2n[nH]c3c2[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N3)cc1	ZINC000009597341	569550947	/nfs/dbraw/zinc/55/09/47/569550947.db2.gz	RRBLGNUYBZGXNA-HSZRJFAPSA-N	0	0	440.591	5.906	50	30		IKEARN
O=C1C[C@@H](c2ccccc2)CC2=C1[C@H](c1ccc3c(c1)OCO3)Nc1ccc3ccccc3c12	ZINC000009601022	569551527	/nfs/dbraw/zinc/55/15/27/569551527.db2.gz	YDSDGVVXZWVWDR-JRPXNJEYSA-N	0	0	445.518	6.636	50	30		IKEARN
O=C1CCCC2=Nc3nc(SCc4ccc(Cl)cc4)nn3[C@@H](c3cccs3)C12	ZINC000009608550	569552135	/nfs/dbraw/zinc/55/21/35/569552135.db2.gz	NRXZLRQOWQBRAK-SFHVURJKSA-N	0	0	428.970	5.307	50	30		IKEARN
CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C1=C(CC(C)(C)CC1=O)N2	ZINC000009608806	569552185	/nfs/dbraw/zinc/55/21/85/569552185.db2.gz	ZRZQVYAFRNBQQO-QGZVFWFLSA-N	0	0	427.545	5.002	50	30		IKEARN
C=CCn1c2ccccc2nc1SCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1	ZINC000009609741	569552447	/nfs/dbraw/zinc/55/24/47/569552447.db2.gz	NAMDDMJRMHHDQM-QGZVFWFLSA-N	0	0	448.617	5.330	50	30		IKEARN
CCC1=Nc2ccccc2NC(=NC(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000009614641	569553148	/nfs/dbraw/zinc/55/31/48/569553148.db2.gz	FVVMCHXBZDNGSR-XMMPIXPASA-N	0	0	427.504	5.635	50	30		IKEARN
N#Cc1ccccc1CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1	ZINC000009635608	569554688	/nfs/dbraw/zinc/55/46/88/569554688.db2.gz	RBGSJPPYPYKLIH-UHFFFAOYSA-N	0	0	437.450	5.512	50	30		IKEARN
N#Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cc1	ZINC000009664817	569557450	/nfs/dbraw/zinc/55/74/50/569557450.db2.gz	RPVKRKSFFOSTGE-UHFFFAOYSA-N	0	0	436.298	5.526	50	30		IKEARN
CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2ccc(N(CC)CC)cc2)C1=O	ZINC000009721113	569563368	/nfs/dbraw/zinc/56/33/68/569563368.db2.gz	MEQUTJZTPBHKBG-PGMHBOJBSA-N	0	0	436.577	5.385	50	30		IKEARN
CCOc1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3nc(-c4ccc(OC)cc4)nn32)cc1	ZINC000009731769	569564687	/nfs/dbraw/zinc/56/46/87/569564687.db2.gz	PADYTMQKGGZNIK-HSZRJFAPSA-N	0	0	444.535	5.011	50	30		IKEARN
COc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C2C(=O)CC(C)(C)CC2=N3)cc1	ZINC000009731751	569564689	/nfs/dbraw/zinc/56/46/89/569564689.db2.gz	PICFJCZRKKWVTR-OAQYLSRUSA-N	0	0	434.927	5.265	50	30		IKEARN
COc1ccc(-c2cc(-c3ccccc3)nc(SCc3ccccc3F)c2C#N)cc1	ZINC000009761301	569566226	/nfs/dbraw/zinc/56/62/26/569566226.db2.gz	GSPHTTDFEQTTHH-UHFFFAOYSA-N	0	0	426.516	6.727	50	30		IKEARN
Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccccc3)S2)c1	ZINC000009762927	569566518	/nfs/dbraw/zinc/56/65/18/569566518.db2.gz	JEUWQKBPCPMTGM-PQHDRGKASA-N	0	0	443.572	5.198	50	30		IKEARN
COc1ccc2ccccc2c1[C@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(C)=O	ZINC000009781514	569567601	/nfs/dbraw/zinc/56/76/01/569567601.db2.gz	FTVVYLCMCNFUBV-VWLOTQADSA-N	0	0	441.556	5.517	50	30		IKEARN
Cc1csc([C@H](C#N)C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c32)n1	ZINC000009788900	569568002	/nfs/dbraw/zinc/56/80/02/569568002.db2.gz	HVUPMRPYHFXBLL-OAHLLOKOSA-N	0	0	436.587	5.400	50	30		IKEARN
Cc1nnc(S[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)n1C1CCCCC1	ZINC000009788866	569568007	/nfs/dbraw/zinc/56/80/07/569568007.db2.gz	JBBXAOFOEKGSQC-CQSZACIVSA-N	0	0	443.642	5.413	50	30		IKEARN
Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCCC2)n1-c1ccccc1	ZINC000009789160	569568085	/nfs/dbraw/zinc/56/80/85/569568085.db2.gz	RQSKGOIKLHKSJG-UHFFFAOYSA-N	0	0	448.596	5.102	50	30		IKEARN
CCOc1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)C[C@H](c2ccccc2)C3)cc1	ZINC000009805305	569568642	/nfs/dbraw/zinc/56/86/42/569568642.db2.gz	SDHHXLUJMMYDQT-DFXYEROKSA-N	0	0	446.550	6.701	50	30		IKEARN
COc1cc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OC(C)=O	ZINC000009805295	569568678	/nfs/dbraw/zinc/56/86/78/569568678.db2.gz	WWNARZZRAGABCP-SANMLTNESA-N	0	0	442.515	5.478	50	30		IKEARN
N#Cc1cccc(CSCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)c1	ZINC000009836303	569570715	/nfs/dbraw/zinc/57/07/15/569570715.db2.gz	FSHDGGJKXKSZJS-OAQYLSRUSA-N	0	0	435.936	5.416	50	30		IKEARN
Cc1ccccc1[C@H]1C2C(=O)CCCC2=Nc2nc(SCc3ccc(Cl)cc3)nn21	ZINC000009856506	569571609	/nfs/dbraw/zinc/57/16/09/569571609.db2.gz	SNJYYDUWHAAXGY-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccccc1CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1C(=O)CCCC1=N2	ZINC000009856531	569571630	/nfs/dbraw/zinc/57/16/30/569571630.db2.gz	PPEDSTPBPBKUJN-NRFANRHFSA-N	0	0	436.968	5.554	50	30		IKEARN
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3nc4ccccc4s3)[C@@H]2c2ccc(O)cc2)cc1	ZINC000009861228	569571935	/nfs/dbraw/zinc/57/19/35/569571935.db2.gz	SVVDWRDMLAPSNF-OAQYLSRUSA-N	0	0	442.496	5.093	50	30		IKEARN
CC(C)c1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2cccnc2)cc1	ZINC000009861076	569571947	/nfs/dbraw/zinc/57/19/47/569571947.db2.gz	CFHUCWZHPCKDJB-QFIPXVFZSA-N	0	0	432.907	5.641	50	30		IKEARN
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@H]2c1cccc(O)c1	ZINC000009861371	569571989	/nfs/dbraw/zinc/57/19/89/569571989.db2.gz	CHZDRLCOEPDHMX-SANMLTNESA-N	0	0	438.527	5.845	50	30		IKEARN
CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(N(CC)CC)cc1	ZINC000009861347	569572013	/nfs/dbraw/zinc/57/20/13/569572013.db2.gz	CIVIGKKKQJSWFA-NDEPHWFRSA-N	0	0	445.607	6.230	50	30		IKEARN
CCCCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@H]1c1ccc(N(CC)CC)cc1	ZINC000009861348	569572027	/nfs/dbraw/zinc/57/20/27/569572027.db2.gz	CIVIGKKKQJSWFA-MUUNZHRXSA-N	0	0	445.607	6.230	50	30		IKEARN
CN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C1(C#N)CCCCC1	ZINC000009884711	569572817	/nfs/dbraw/zinc/57/28/17/569572817.db2.gz	OIKINODONJWNAF-UHFFFAOYSA-N	0	0	439.031	5.094	50	30		IKEARN
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(CC)sc1SCC	ZINC000009982600	569576547	/nfs/dbraw/zinc/57/65/47/569576547.db2.gz	BSSAIYMLNNQSCM-LJQANCHMSA-N	0	0	433.639	5.590	50	30		IKEARN
C=CCn1c(SCC(=O)Nc2ccccc2Br)nnc1C1CCCCC1	ZINC000009987561	569576768	/nfs/dbraw/zinc/57/67/68/569576768.db2.gz	QQHRCHUFUTYYGG-UHFFFAOYSA-N	0	0	435.391	5.005	50	30		IKEARN
O=C(C1=C(O)C(=O)N(c2nc3ccccc3s2)[C@@H]1c1ccccc1Cl)c1ccccc1	ZINC000009993307	569576920	/nfs/dbraw/zinc/57/69/20/569576920.db2.gz	SDEWEGVSYLVQCF-HXUWFJFHSA-N	0	0	446.915	5.733	50	30		IKEARN
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccc2Cl)C2=C(CC(C)(C)CC2=O)N1	ZINC000010013489	569577044	/nfs/dbraw/zinc/57/70/44/569577044.db2.gz	UZWHFSOTMFIAEN-QFIPXVFZSA-N	0	0	438.930	5.722	50	30		IKEARN
C=CCn1c(SCC(=O)NC[C@@H](CC)c2ccccc2)nnc1-c1ccc(Cl)cc1	ZINC000010240199	569579735	/nfs/dbraw/zinc/57/97/35/569579735.db2.gz	MZLNVSXRVNLUKL-QGZVFWFLSA-N	0	0	441.000	5.187	50	30		IKEARN
COc1cc([C@H]2CC(=O)N(c3ccccc3)/C(=N/c3ccccc3)S2)cc(OC)c1OC	ZINC000010435159	569582198	/nfs/dbraw/zinc/58/21/98/569582198.db2.gz	PCIGBRMWJUUTNV-FPEJUQHSSA-N	0	0	448.544	5.611	50	30		IKEARN
Cc1ccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)c(C)c1	ZINC000001864457	569584286	/nfs/dbraw/zinc/58/42/86/569584286.db2.gz	SORLOHRIGAWADB-JVWAILMASA-N	0	0	440.572	6.393	50	30		IKEARN
Cc1ccc(OCCn2cc(C=NN=c3[nH]c4ccccc4s3)c3ccccc32)cc1C	ZINC000001850990	569584308	/nfs/dbraw/zinc/58/43/08/569584308.db2.gz	XCPRMUFFFOGNGL-JVWAILMASA-N	0	0	440.572	6.393	50	30		IKEARN
O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)c1ccc(/N=C/c2cccs2)cc1	ZINC000017109161	569586936	/nfs/dbraw/zinc/58/69/36/569586936.db2.gz	ATGSMFVSXNRYQU-DFEHQXHXSA-N	0	0	436.583	6.144	50	30		IKEARN
CCCCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12	ZINC000102819570	569586963	/nfs/dbraw/zinc/58/69/63/569586963.db2.gz	HUICPCAYOMVFRU-UHFFFAOYSA-N	0	0	428.492	5.004	50	30		IKEARN
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(OC(=O)NC)cc1	ZINC000100971085	569588182	/nfs/dbraw/zinc/58/81/82/569588182.db2.gz	VKVOUWXECCYIHP-UHFFFAOYSA-N	0	0	432.649	7.605	50	30		IKEARN