smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)n1	ZINC000218297078	568477994	/nfs/dbraw/zinc/47/79/94/568477994.db2.gz	KSOQDRLKUBZIKT-GOSISDBHSA-N	0	0	401.474	2.476	50	70		HEIARN
COc1cn(CC(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c(C)cc1=O	ZINC000218339300	568478767	/nfs/dbraw/zinc/47/87/67/568478767.db2.gz	AEIPPOFGVHRWEU-UHFFFAOYSA-N	0	0	422.485	2.068	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC[C@@H]1C(=O)NCCc1nc(C)cs1	ZINC000218507040	568481093	/nfs/dbraw/zinc/48/10/93/568481093.db2.gz	OBEFYDLUJKUCCY-CWTRNNRKSA-N	0	0	419.528	2.397	50	70		HEIARN
COc1ccc([C@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OCC(N)=O	ZINC000218127784	568926247	/nfs/dbraw/zinc/92/62/47/568926247.db2.gz	RNGJOVIFIUFHFD-GFCCVEGCSA-N	0	0	417.414	2.026	50	70	biogenic	HEIARN
O=S(=O)(c1c(F)cccc1F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217853041	568916540	/nfs/dbraw/zinc/91/65/40/568916540.db2.gz	LQZARCCLGXEPEA-GFCCVEGCSA-N	0	0	421.429	2.448	50	70		HEIARN
O=S(=O)(CCC(F)(F)F)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217855240	568916563	/nfs/dbraw/zinc/91/65/63/568916563.db2.gz	PWMZQLVYABRRAJ-LLVKDONJSA-N	0	0	405.402	2.063	50	70		HEIARN
O=S(=O)(CCC(F)(F)F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217855155	568916568	/nfs/dbraw/zinc/91/65/68/568916568.db2.gz	PWMZQLVYABRRAJ-NSHDSACASA-N	0	0	405.402	2.063	50	70		HEIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)NCCn1ccc2ccc(F)cc21	ZINC000217924539	568919945	/nfs/dbraw/zinc/91/99/45/568919945.db2.gz	XKWVQKSYMIMDJB-SFHVURJKSA-N	0	0	408.433	2.428	50	70	biogenic	HEIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1cnc2ccccc2c1=O	ZINC000218333397	568929452	/nfs/dbraw/zinc/92/94/52/568929452.db2.gz	SFZGSIWUEHTFGK-HNNXBMFYSA-N	0	0	405.458	2.270	50	70		HEIARN
COC(=O)C[C@H](c1ccc(O)c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218305281	568478100	/nfs/dbraw/zinc/47/81/00/568478100.db2.gz	DIEJLDSAAMTPEE-CQSZACIVSA-N	0	0	423.849	2.232	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC000218217557	568836348	/nfs/dbraw/zinc/83/63/48/568836348.db2.gz	OAWPXLAODFBPGC-OAHLLOKOSA-N	0	0	412.398	2.299	50	70		HEIARN
COc1ccc(S(=O)(=O)NC[C@](C)(O)c2cc3ccccc3s2)cc1C(N)=O	ZINC000217516472	568887770	/nfs/dbraw/zinc/88/77/70/568887770.db2.gz	MTVGHEVBWREYNY-IBGZPJMESA-N	0	0	420.512	2.195	50	70		HEIARN
O=C1OC2(CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc21	ZINC000217545846	568890523	/nfs/dbraw/zinc/89/05/23/568890523.db2.gz	ZFBSDUDTJBRBFN-UHFFFAOYSA-N	0	0	401.440	2.308	50	70		HEIARN
COC(=O)c1ccccc1C(=O)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217842183	568915904	/nfs/dbraw/zinc/91/59/04/568915904.db2.gz	WLLNKXBEMWYEPF-CQSZACIVSA-N	0	0	407.430	2.408	50	70		HEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1	ZINC000218318939	568837796	/nfs/dbraw/zinc/83/77/96/568837796.db2.gz	SZARIVSTNJAPSR-PMACEKPBSA-N	0	0	423.469	2.106	50	70		HEIARN
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1	ZINC000217823133	568914614	/nfs/dbraw/zinc/91/46/14/568914614.db2.gz	FLFHTLRLAMGCQF-CYBMUJFWSA-N	0	0	405.476	2.377	50	70		HEIARN
O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217836564	568915418	/nfs/dbraw/zinc/91/54/18/568915418.db2.gz	BKMGEXVTUIZJFU-HNNXBMFYSA-N	0	0	416.445	2.202	50	70		HEIARN
COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2	ZINC000217899726	568918682	/nfs/dbraw/zinc/91/86/82/568918682.db2.gz	HMZJFXHFJMUREE-JXFKEZNVSA-N	0	0	414.502	2.397	50	70	biogenic	HEIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2nnn(C)n2)c1	ZINC000218145460	568475810	/nfs/dbraw/zinc/47/58/10/568475810.db2.gz	AGWHXDKFENJBFM-OAHLLOKOSA-N	0	0	409.402	2.135	50	70		HEIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2nc[nH]n2)c1	ZINC000218295928	568477957	/nfs/dbraw/zinc/47/79/57/568477957.db2.gz	YZLNFSLYOALDEP-KRWDZBQOSA-N	0	0	404.430	2.311	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)Nc3ccn(C)n3)C(C)(C)S[C@@H]21	ZINC000218522150	568481325	/nfs/dbraw/zinc/48/13/25/568481325.db2.gz	QODPBUHPCAHDPU-QAPCUYQASA-N	0	0	402.476	2.424	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2ccc(Cl)cc2)C1=O)NCCc1ccc(O)cc1	ZINC000218258262	568476975	/nfs/dbraw/zinc/47/69/75/568476975.db2.gz	JLTSJAFRABDBSI-KRWDZBQOSA-N	0	0	401.850	2.215	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCn3ccc4ccccc43)C2=O)cc1	ZINC000218568040	568481854	/nfs/dbraw/zinc/48/18/54/568481854.db2.gz	CAZPRSSSCVSCCU-SFHVURJKSA-N	0	0	406.442	2.281	50	70		HEIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1coc2ccc(OC)cc2c1=O	ZINC000217633049	568900987	/nfs/dbraw/zinc/90/09/87/568900987.db2.gz	WXZFUJIGMZXQIQ-LLVKDONJSA-N	0	0	411.366	2.108	50	70	biogenic	HEIARN
O=C(Nc1nnc([C@H]2CCCO2)s1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1	ZINC000217751729	568909505	/nfs/dbraw/zinc/90/95/05/568909505.db2.gz	KLSHJIPADOYATF-DZGCQCFKSA-N	0	0	402.476	2.125	50	70	biogenic	HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3nc(C(C)C)cs3)C2=O)cc1	ZINC000218442059	568933169	/nfs/dbraw/zinc/93/31/69/568933169.db2.gz	PJFPWOCJDLLWTO-HNNXBMFYSA-N	0	0	416.503	2.449	50	70		HEIARN
O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217723921	569039064	/nfs/dbraw/zinc/03/90/64/569039064.db2.gz	CGMVJJVYKAKVQY-KCXPTXFHSA-N	0	0	409.392	2.396	50	70		HEIARN
CC(C)C[C@H](NC(=O)CCN1C(=O)c2nccnc2C1=O)c1nc2ccccc2[nH]1	ZINC000218322927	568478400	/nfs/dbraw/zinc/47/84/00/568478400.db2.gz	WBTLCLKSCBUKAH-HNNXBMFYSA-N	0	0	406.446	2.243	50	70		HEIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cn1ncc2ccccc2c1=O	ZINC000218424317	568480101	/nfs/dbraw/zinc/48/01/01/568480101.db2.gz	DPJGHOHSKFPJLA-HNNXBMFYSA-N	0	0	405.458	2.270	50	70		HEIARN
COc1cc(OC)c([C@@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1OC	ZINC000218552043	568481745	/nfs/dbraw/zinc/48/17/45/568481745.db2.gz	YJDQRMCMVMYXDA-OAHLLOKOSA-N	0	0	411.458	2.327	50	70		HEIARN
COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3cccc(OC)c3)[C@@H]4C2=O)cc1	ZINC000217519476	568888008	/nfs/dbraw/zinc/88/80/08/568888008.db2.gz	ZTZTWLCKGWFFER-GECPAALWSA-N	0	0	420.465	2.307	50	70	biogenic	HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(O)CCCc3cc(OC)ccc32)cc1	ZINC000218010658	568922648	/nfs/dbraw/zinc/92/26/48/568922648.db2.gz	ZTOZXLRZOKAOFZ-FQEVSTJZSA-N	0	0	420.487	2.376	50	70		HEIARN
COC(=O)C[C@@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218362641	568929965	/nfs/dbraw/zinc/92/99/65/568929965.db2.gz	WNYHFXITVZDPAZ-AWEZNQCLSA-N	0	0	409.385	2.151	50	70		HEIARN
COc1ccc(CN2C(=O)N[C@@H](CC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1	ZINC000218319016	568837810	/nfs/dbraw/zinc/83/78/10/568837810.db2.gz	SZARIVSTNJAPSR-VQTJNVASSA-N	0	0	423.469	2.106	50	70		HEIARN
COc1ccccc1CNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O	ZINC000217641621	568901150	/nfs/dbraw/zinc/90/11/50/568901150.db2.gz	VKAHSVXIKJUBDJ-IBGZPJMESA-N	0	0	420.469	2.346	50	70	biogenic	HEIARN
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2	ZINC000217899930	568918635	/nfs/dbraw/zinc/91/86/35/568918635.db2.gz	HMZJFXHFJMUREE-OXQOHEQNSA-N	0	0	414.502	2.397	50	70	biogenic	HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccccc34)C2=O)cc1	ZINC000217977602	568921826	/nfs/dbraw/zinc/92/18/26/568921826.db2.gz	WWTNQBZSLFFZOU-IBGZPJMESA-N	0	0	406.442	2.350	50	70	biogenic	HEIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)Nc1ccc(Cn2cncn2)cc1	ZINC000218294864	568477826	/nfs/dbraw/zinc/47/78/26/568477826.db2.gz	RCUAQIMSQTYUQM-IBGZPJMESA-N	0	0	418.457	2.166	50	70		HEIARN
Cc1[nH]c2c3c(cccc3F)nn2c(=O)c1CCC(=O)Nc1ccc(C(N)=O)cc1	ZINC000218324704	568478382	/nfs/dbraw/zinc/47/83/82/568478382.db2.gz	NAVZKPQQWXBICW-UHFFFAOYSA-N	0	0	407.405	2.294	50	70		HEIARN
Cc1cc(C)nc(NCC(=O)NC2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1	ZINC000218358338	568479227	/nfs/dbraw/zinc/47/92/27/568479227.db2.gz	MGIFJXZQOMLFOG-UHFFFAOYSA-N	0	0	406.490	2.408	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nc4ccccc4[nH]3)C2=O)cc1	ZINC000218433300	568480322	/nfs/dbraw/zinc/48/03/22/568480322.db2.gz	PRPYFWXIDXZCAV-SJCJKPOMSA-N	0	0	407.430	2.264	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCO[C@@H](c4ccccc4)C3)C2=O)cc1	ZINC000218465010	568480788	/nfs/dbraw/zinc/48/07/88/568480788.db2.gz	OPLQVKOYFYNFFL-RBUKOAKNSA-N	0	0	409.442	2.110	50	70		HEIARN
COc1cc(OC)c([C@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc1OC	ZINC000218551975	568481747	/nfs/dbraw/zinc/48/17/47/568481747.db2.gz	YJDQRMCMVMYXDA-HNNXBMFYSA-N	0	0	411.458	2.327	50	70		HEIARN
O=C1CSC(=O)N1C1CN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1	ZINC000217750122	568909503	/nfs/dbraw/zinc/90/95/03/568909503.db2.gz	MXOCISCLBCFXRO-UHFFFAOYSA-N	0	0	414.814	2.427	50	70		HEIARN
CC(=O)c1cn(CCNC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c2ccccc12	ZINC000217829586	568914666	/nfs/dbraw/zinc/91/46/66/568914666.db2.gz	JEGYCAYCWDEOLC-IBGZPJMESA-N	0	0	418.453	2.101	50	70	biogenic	HEIARN
Cn1cc(S(=O)(=O)N2CCCN(C(=O)/C=C/c3ccccc3Cl)CC2)cn1	ZINC000217965958	568921401	/nfs/dbraw/zinc/92/14/01/568921401.db2.gz	UPYDTINFXRPLLS-BQYQJAHWSA-N	0	0	408.911	2.010	50	70		HEIARN
COc1ccc(NC(=O)[C@@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cn1	ZINC000218092041	568925515	/nfs/dbraw/zinc/92/55/15/568925515.db2.gz	NOJGUZHAMRMVHN-BUXKBTBVSA-N	0	0	401.444	2.316	50	70	biogenic	HEIARN
O=C1Nc2ccc(F)cc2[C@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217724009	569039054	/nfs/dbraw/zinc/03/90/54/569039054.db2.gz	CGMVJJVYKAKVQY-FBAVSBLXSA-N	0	0	409.392	2.396	50	70		HEIARN
O=S(=O)(Cc1ccccc1)N1CCN(C[C@H](O)COc2ccccc2Cl)CC1	ZINC000217412081	569281619	/nfs/dbraw/zinc/28/16/19/569281619.db2.gz	VYFQFPDOZSTTQD-SFHVURJKSA-N	0	0	424.950	2.227	50	70		HEIARN
COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C)n(C)c(=O)c3)C2)cc1Cl	ZINC000217774916	568911367	/nfs/dbraw/zinc/91/13/67/568911367.db2.gz	JDMHSDLOBXWCFD-CYBMUJFWSA-N	0	0	412.895	2.198	50	70		HEIARN
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C[C@@H]2CCCO2)C12CCCC2	ZINC000217899789	568918633	/nfs/dbraw/zinc/91/86/33/568918633.db2.gz	HMZJFXHFJMUREE-OXJNMPFZSA-N	0	0	414.502	2.397	50	70	biogenic	HEIARN
COc1cc2nc(C)n(CC(=O)N3CCO[C@@H](c4ccccc4)C3)c(=O)c2cc1OC	ZINC000218401445	568479860	/nfs/dbraw/zinc/47/98/60/568479860.db2.gz	GDIGBWYIXHVXMR-OAQYLSRUSA-N	0	0	423.469	2.322	50	70		HEIARN
COc1ccc(Cc2nc(NC(=O)Cn3cc(-c4ccccc4)ncc3=O)n[nH]2)cc1	ZINC000218616224	568482479	/nfs/dbraw/zinc/48/24/79/568482479.db2.gz	BLUZIPRVYQYPEK-UHFFFAOYSA-N	0	0	416.441	2.267	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCc1ccc(O)cc1	ZINC000217657047	568903433	/nfs/dbraw/zinc/90/34/33/568903433.db2.gz	LCXGHVGRJDBQLG-FQEVSTJZSA-N	0	0	420.469	2.085	50	70	biogenic	HEIARN
Cn1c2cc(S(=O)(=O)N3CCC[C@@H](Cc4nc(C5CC5)no4)C3)ccc2oc1=O	ZINC000217824005	568914728	/nfs/dbraw/zinc/91/47/28/568914728.db2.gz	UYVHZKRWOWHDJO-LBPRGKRZSA-N	0	0	418.475	2.035	50	70		HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NC[C@]2(O)CCCc3cc(OC)ccc32)cc1	ZINC000218010735	568922554	/nfs/dbraw/zinc/92/25/54/568922554.db2.gz	ZTOZXLRZOKAOFZ-HXUWFJFHSA-N	0	0	420.487	2.376	50	70		HEIARN
COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc2c(c1)OCO2	ZINC000218126247	568926243	/nfs/dbraw/zinc/92/62/43/568926243.db2.gz	GKHCFQLJGSHSKL-UXHICEINSA-N	0	0	410.426	2.005	50	70	biogenic	HEIARN
CC(C)[C@H](NC(=O)CCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C	ZINC000218154376	568475856	/nfs/dbraw/zinc/47/58/56/568475856.db2.gz	YVJMJXMXFWYYEZ-SFHVURJKSA-N	0	0	405.458	2.468	50	70		HEIARN
Cc1cc(C)nc(N[C@@H](Cc2ccccc2)C(=O)NCc2nnc3ccccn32)n1	ZINC000218297117	568477953	/nfs/dbraw/zinc/47/79/53/568477953.db2.gz	KSOQDRLKUBZIKT-SFHVURJKSA-N	0	0	401.474	2.476	50	70		HEIARN
CC(C)[C@H](NC(=O)CCN1C(=O)c2ccncc2C1=O)c1nc2ccccc2n1C	ZINC000218343643	568478787	/nfs/dbraw/zinc/47/87/87/568478787.db2.gz	RJVGZIWFTUDUGU-IBGZPJMESA-N	0	0	405.458	2.468	50	70		HEIARN
O=C(Cn1cnc2ccsc2c1=O)Nc1n[nH]c(Cc2cc(F)cc(F)c2)n1	ZINC000218378857	568479452	/nfs/dbraw/zinc/47/94/52/568479452.db2.gz	ZSALCGHXTBFJLB-UHFFFAOYSA-N	0	0	402.386	2.084	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3nc(C)cs3)CS[C@@H]21	ZINC000218507298	568481210	/nfs/dbraw/zinc/48/12/10/568481210.db2.gz	OBEFYDLUJKUCCY-BUXKBTBVSA-N	0	0	419.528	2.397	50	70		HEIARN
O=S(=O)(c1ccccc1C(F)(F)F)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217617291	568899077	/nfs/dbraw/zinc/89/90/77/568899077.db2.gz	KAXNDRVDNKMJEO-UHFFFAOYSA-N	0	0	414.409	2.037	50	70		HEIARN
COC(=O)C[C@@H](c1ccc2ncccc2c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217840750	568915588	/nfs/dbraw/zinc/91/55/88/568915588.db2.gz	BLEQYGZVUJDFDH-SFHVURJKSA-N	0	0	424.453	2.421	50	70	biogenic	HEIARN
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccc2c(c1)OCO2	ZINC000218126315	568926398	/nfs/dbraw/zinc/92/63/98/568926398.db2.gz	GKHCFQLJGSHSKL-PMACEKPBSA-N	0	0	410.426	2.005	50	70	biogenic	HEIARN
COC(=O)C[C@@H](c1ccc(O)c(Cl)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218305340	568478113	/nfs/dbraw/zinc/47/81/13/568478113.db2.gz	DIEJLDSAAMTPEE-AWEZNQCLSA-N	0	0	423.849	2.232	50	70		HEIARN
COc1ccc2c(ccn2CCNC(=O)CC[C@@H]2NC(=O)N(Cc3ccco3)C2=O)c1	ZINC000218495399	568480967	/nfs/dbraw/zinc/48/09/67/568480967.db2.gz	QQPDDCCOFSMKSD-SFHVURJKSA-N	0	0	424.457	2.260	50	70		HEIARN
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(-c2ccccn2)no1	ZINC000218571602	568481868	/nfs/dbraw/zinc/48/18/68/568481868.db2.gz	SYVFEGPUGQHFSR-INIZCTEOSA-N	0	0	423.473	2.062	50	70		HEIARN
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(-c2ccccn2)no1	ZINC000218571676	568481908	/nfs/dbraw/zinc/48/19/08/568481908.db2.gz	SYVFEGPUGQHFSR-MRXNPFEDSA-N	0	0	423.473	2.062	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nnn(C)n2)c1	ZINC000218145492	568475822	/nfs/dbraw/zinc/47/58/22/568475822.db2.gz	AGWHXDKFENJBFM-HNNXBMFYSA-N	0	0	409.402	2.135	50	70		HEIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218173054	568476012	/nfs/dbraw/zinc/47/60/12/568476012.db2.gz	BICHRCLCXAJEDH-PMACEKPBSA-N	0	0	407.470	2.487	50	70		HEIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)CCn1nnc2ccccc2c1=O	ZINC000218423332	568480154	/nfs/dbraw/zinc/48/01/54/568480154.db2.gz	HEPKEMCBWLJKCE-HNNXBMFYSA-N	0	0	420.473	2.055	50	70		HEIARN
COC(=O)C[C@H](c1cnn(C)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217742210	568909304	/nfs/dbraw/zinc/90/93/04/568909304.db2.gz	XZMDILGJJISEKM-GOSISDBHSA-N	0	0	411.458	2.239	50	70	biogenic	HEIARN
Cn1c2cc(S(=O)(=O)N3CCC[C@H](Cc4nc(C5CC5)no4)C3)ccc2oc1=O	ZINC000217823918	568914801	/nfs/dbraw/zinc/91/48/01/568914801.db2.gz	UYVHZKRWOWHDJO-GFCCVEGCSA-N	0	0	418.475	2.035	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1	ZINC000217977787	568921758	/nfs/dbraw/zinc/92/17/58/568921758.db2.gz	LPTFIKBKZMAIIG-FXCLAUTBSA-N	0	0	415.490	2.054	50	70	biogenic	HEIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1	ZINC000217977709	568921814	/nfs/dbraw/zinc/92/18/14/568921814.db2.gz	LPTFIKBKZMAIIG-QRFQSNJMSA-N	0	0	415.490	2.054	50	70	biogenic	HEIARN
COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc2c(c1)OCO2	ZINC000218126081	568926402	/nfs/dbraw/zinc/92/64/02/568926402.db2.gz	GKHCFQLJGSHSKL-WOJBJXKFSA-N	0	0	410.426	2.005	50	70	biogenic	HEIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1coc2ccc(OC)cc2c1=O	ZINC000217633123	568900998	/nfs/dbraw/zinc/90/09/98/568900998.db2.gz	WXZFUJIGMZXQIQ-NSHDSACASA-N	0	0	411.366	2.108	50	70	biogenic	HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NCCn2ccnc2-c2ccccn2)cc1	ZINC000217865399	568916639	/nfs/dbraw/zinc/91/66/39/568916639.db2.gz	XBDNKZJLGMRPSB-UHFFFAOYSA-N	0	0	401.448	2.102	50	70		HEIARN
O=C1COC(=O)N1C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1	ZINC000217982277	568922050	/nfs/dbraw/zinc/92/20/50/568922050.db2.gz	RIIQQBLDXHSTOX-NSHDSACASA-N	0	0	400.865	2.400	50	70		HEIARN
COc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3ccccc3NC2=O)c1	ZINC000217699318	568473591	/nfs/dbraw/zinc/47/35/91/568473591.db2.gz	GMNXXRIOIFEQEK-YWNPBTLJSA-N	0	0	403.438	2.126	50	70		HEIARN
COc1cc([C@@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc(OC)c1OC	ZINC000218559886	568481792	/nfs/dbraw/zinc/48/17/92/568481792.db2.gz	DVTNBCBUUIDRQO-OAHLLOKOSA-N	0	0	411.458	2.327	50	70		HEIARN
COc1ccc(Cc2nc(NC(=O)COc3ccc4c(c3)NC(=O)CC4)n[nH]2)cc1	ZINC000218567933	568481856	/nfs/dbraw/zinc/48/18/56/568481856.db2.gz	PCXKWWDBWHCPRA-UHFFFAOYSA-N	0	0	407.430	2.306	50	70		HEIARN
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(-c2cccnc2)no1	ZINC000218595459	568882868	/nfs/dbraw/zinc/88/28/68/568882868.db2.gz	GOTSVQZJOJUNFZ-KRWDZBQOSA-N	0	0	423.473	2.062	50	70		HEIARN
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@H](O)c2ccccc2F)nn1	ZINC000217474788	568883308	/nfs/dbraw/zinc/88/33/08/568883308.db2.gz	UGYQGHZLVCKQPB-FQEVSTJZSA-N	0	0	423.448	2.208	50	70		HEIARN
COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@@H]4C3=O)C2)c1	ZINC000217725669	568908280	/nfs/dbraw/zinc/90/82/80/568908280.db2.gz	PMZWPLYQPFXWSA-OKILXGFUSA-N	0	0	419.275	2.233	50	70		HEIARN
COC(=O)[C@H](CCSC)NC(=O)c1cn(-c2ccccn2)c(=O)c2ccccc12	ZINC000217811921	568913772	/nfs/dbraw/zinc/91/37/72/568913772.db2.gz	JJMFTNSMJIWKFJ-KRWDZBQOSA-N	0	0	411.483	2.410	50	70	biogenic	HEIARN
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C4CC4)no3)C2)cc1	ZINC000217810124	568913851	/nfs/dbraw/zinc/91/38/51/568913851.db2.gz	RWTADFSNUSELHS-CQSZACIVSA-N	0	0	418.519	2.292	50	70		HEIARN
O=C(Cn1cnc2ccccc21)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217837141	568915446	/nfs/dbraw/zinc/91/54/46/568915446.db2.gz	ZFFBSKMCDDRZAM-HNNXBMFYSA-N	0	0	403.446	2.358	50	70		HEIARN
COc1ccc(OC)c(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)c1	ZINC000217871355	568916863	/nfs/dbraw/zinc/91/68/63/568916863.db2.gz	BAYBWEBKKSLGKZ-UHFFFAOYSA-N	0	0	402.476	2.249	50	70		HEIARN
Cn1nc(CN(Cc2ccco2)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1C1CC1	ZINC000217895309	568918609	/nfs/dbraw/zinc/91/86/09/568918609.db2.gz	VZIAJLVUCZYRHC-UHFFFAOYSA-N	0	0	420.535	2.091	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1	ZINC000217977947	568921759	/nfs/dbraw/zinc/92/17/59/568921759.db2.gz	LPTFIKBKZMAIIG-LZFQIVBZSA-N	0	0	415.490	2.054	50	70	biogenic	HEIARN
COc1cc2c(cc1OC)CN(C(=O)C[C@@H]1NC(=O)N(c3ccccc3)C1=O)CC2	ZINC000218029230	568923617	/nfs/dbraw/zinc/92/36/17/568923617.db2.gz	YPBSLJRFJFEAED-KRWDZBQOSA-N	0	0	409.442	2.104	50	70	biogenic	HEIARN
COc1ccc(NC(=O)[C@@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N23)cn1	ZINC000218092202	568925598	/nfs/dbraw/zinc/92/55/98/568925598.db2.gz	NOJGUZHAMRMVHN-HXPMCKFVSA-N	0	0	401.444	2.316	50	70	biogenic	HEIARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(=O)Oc2cc3c(cc21)OCO3	ZINC000218306065	568478196	/nfs/dbraw/zinc/47/81/96/568478196.db2.gz	ZSMGPRZGGZDDAR-OCCSQVGLSA-N	0	0	404.444	2.029	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCO[C@H](c4ccccc4)C3)C2=O)cc1	ZINC000218464927	568480615	/nfs/dbraw/zinc/48/06/15/568480615.db2.gz	OPLQVKOYFYNFFL-OALUTQOASA-N	0	0	409.442	2.110	50	70		HEIARN
CSCC[C@H](NC(=O)c1cccc(-n2nnnc2C)c1)c1nnc2ccccn21	ZINC000218563450	568481767	/nfs/dbraw/zinc/48/17/67/568481767.db2.gz	VKZFIVQBBBYXBY-INIZCTEOSA-N	0	0	408.491	2.238	50	70		HEIARN
CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)N(Cc2ccco2)C1=O)c1nnc2ccccn21	ZINC000218299317	568837709	/nfs/dbraw/zinc/83/77/09/568837709.db2.gz	HWWSZGIHGBBNGW-HOTGVXAUSA-N	0	0	424.461	2.036	50	70		HEIARN
COC(=O)C[C@@H](c1cnn(C)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217742282	568909381	/nfs/dbraw/zinc/90/93/81/568909381.db2.gz	XZMDILGJJISEKM-SFHVURJKSA-N	0	0	411.458	2.239	50	70	biogenic	HEIARN
COC(=O)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C[C@H]2CCCO2)C12CCCC2	ZINC000217899869	568918694	/nfs/dbraw/zinc/91/86/94/568918694.db2.gz	HMZJFXHFJMUREE-UZLBHIALSA-N	0	0	414.502	2.397	50	70	biogenic	HEIARN
COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)cc1	ZINC000218440473	568480472	/nfs/dbraw/zinc/48/04/72/568480472.db2.gz	ACZJWJLXRCRUHV-IBGZPJMESA-N	0	0	411.458	2.268	50	70		HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NC[C@H](O)c2cn(C)c3ccccc23)cc1	ZINC000217576458	568894129	/nfs/dbraw/zinc/89/41/29/568894129.db2.gz	UKROEPUCUSCDTR-SFHVURJKSA-N	0	0	403.460	2.369	50	70		HEIARN
COC(=O)c1sccc1S(=O)(=O)N1CC[C@@H](n2cc(-c3ccccc3)nn2)C1	ZINC000217668234	568903864	/nfs/dbraw/zinc/90/38/64/568903864.db2.gz	YBAVJVWIJNDKBS-CQSZACIVSA-N	0	0	418.500	2.429	50	70		HEIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@@H]2c1ccc(OC)c(OC)c1OC	ZINC000217813880	568914049	/nfs/dbraw/zinc/91/40/49/568914049.db2.gz	CLVAZJHBROJPNV-LLVKDONJSA-N	0	0	403.387	2.018	50	70	biogenic	HEIARN
COC(=O)c1sccc1S(=O)(=O)NCCn1nc(-c2ccncc2)cc1C	ZINC000217871568	568916839	/nfs/dbraw/zinc/91/68/39/568916839.db2.gz	BILABCRJTDTDPP-UHFFFAOYSA-N	0	0	406.489	2.080	50	70		HEIARN
COC(=O)C[C@H](c1ccc(F)c(F)c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000218362564	568929942	/nfs/dbraw/zinc/92/99/42/568929942.db2.gz	WNYHFXITVZDPAZ-CQSZACIVSA-N	0	0	409.385	2.151	50	70		HEIARN
CC(C)n1c(CCNC(=O)CCn2nnc3ccccc3c2=O)nc2ccccc21	ZINC000218180792	568476084	/nfs/dbraw/zinc/47/60/84/568476084.db2.gz	IHZMMJWQBODPFL-UHFFFAOYSA-N	0	0	404.474	2.471	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N[C@@H](C)c3nc4ccccc4n3C)C2=O)cc1	ZINC000218610392	568482531	/nfs/dbraw/zinc/48/25/31/568482531.db2.gz	ZRMGDJYDNXGHPF-GUYCJALGSA-N	0	0	421.457	2.274	50	70		HEIARN
Cc1cc(OC2CCN(S(=O)(=O)CCCOc3ccccc3)CC2)cc(=O)n1C	ZINC000217779719	568911528	/nfs/dbraw/zinc/91/15/28/568911528.db2.gz	OBVMKUGYDGPAFL-UHFFFAOYSA-N	0	0	420.531	2.336	50	70		HEIARN
COC(=O)C[C@H](c1ccc2ncccc2c1)c1oc(CN2CCOCC2)cc(=O)c1O	ZINC000217840705	568915727	/nfs/dbraw/zinc/91/57/27/568915727.db2.gz	BLEQYGZVUJDFDH-GOSISDBHSA-N	0	0	424.453	2.421	50	70	biogenic	HEIARN
CCOC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218229204	568476587	/nfs/dbraw/zinc/47/65/87/568476587.db2.gz	GOIJSCQKVVAOOM-LJQANCHMSA-N	0	0	411.506	2.417	50	70		HEIARN
CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(CCc2ccncc2)CC1	ZINC000218270790	568477208	/nfs/dbraw/zinc/47/72/08/568477208.db2.gz	UVFXBVGCSBMTPL-UHFFFAOYSA-N	0	0	405.502	2.382	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)Nc1ccn(C)n1	ZINC000218522055	568481444	/nfs/dbraw/zinc/48/14/44/568481444.db2.gz	QODPBUHPCAHDPU-CRAIPNDOSA-N	0	0	402.476	2.424	50	70		HEIARN
COc1ccc2c(ccn2CCNC(=O)CCc2c(C)nc3cc(=O)[nH]n3c2C)c1	ZINC000218524529	568481461	/nfs/dbraw/zinc/48/14/61/568481461.db2.gz	VXABIVLQJBQZHN-UHFFFAOYSA-N	0	0	407.474	2.352	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC(C)C)[C@@H]21	ZINC000217676837	568905056	/nfs/dbraw/zinc/90/50/56/568905056.db2.gz	MWNSIPDGFUSUSQ-HXUWFJFHSA-N	0	0	409.442	2.343	50	70	biogenic	HEIARN
Cc1c(Cl)cccc1S(=O)(=O)N1CCC(S(=O)(=O)c2nccn2C)CC1	ZINC000217697438	568906855	/nfs/dbraw/zinc/90/68/55/568906855.db2.gz	ZUPMVPKHBLLDSD-UHFFFAOYSA-N	0	0	417.940	2.009	50	70		HEIARN
COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)C2)c1	ZINC000217725741	568908300	/nfs/dbraw/zinc/90/83/00/568908300.db2.gz	PMZWPLYQPFXWSA-KBPBESRZSA-N	0	0	419.275	2.233	50	70		HEIARN
Cc1cc(OC2CN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cc(=O)n1C	ZINC000217758002	568910395	/nfs/dbraw/zinc/91/03/95/568910395.db2.gz	WHHXHTOYPQNACI-UHFFFAOYSA-N	0	0	418.393	2.044	50	70		HEIARN
COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C)n(C)c(=O)c3)C2)cc1Cl	ZINC000217774988	568911314	/nfs/dbraw/zinc/91/13/14/568911314.db2.gz	JDMHSDLOBXWCFD-ZDUSSCGKSA-N	0	0	412.895	2.198	50	70		HEIARN
COCCn1cnc2ccc(NC(=O)CC3(n4cccc4)CCOCC3)cc2c1=O	ZINC000218269705	568477230	/nfs/dbraw/zinc/47/72/30/568477230.db2.gz	DFROOEFFLLXUFU-UHFFFAOYSA-N	0	0	410.474	2.379	50	70		HEIARN
CSCC[C@H](NC(=O)Cn1nnc2ccccc2c1=O)c1nc2ccccc2n1C	ZINC000218330357	568478431	/nfs/dbraw/zinc/47/84/31/568478431.db2.gz	VSBOMYCNJHFJOK-KRWDZBQOSA-N	0	0	422.514	2.289	50	70		HEIARN
O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218404995	568479917	/nfs/dbraw/zinc/47/99/17/568479917.db2.gz	PVNKSUFCQUHQGX-VIFPVBQESA-N	0	0	402.332	2.332	50	70		HEIARN
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1OC	ZINC000218441843	568480448	/nfs/dbraw/zinc/48/04/48/568480448.db2.gz	MRQJYFMZVIWJIO-MRXNPFEDSA-N	0	0	423.469	2.253	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)Nc1ccn(C)n1	ZINC000218521985	568481343	/nfs/dbraw/zinc/48/13/43/568481343.db2.gz	QODPBUHPCAHDPU-YJBOKZPZSA-N	0	0	402.476	2.424	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCc3c[nH]c4ccc(F)cc34)C2=O)cc1	ZINC000218555185	568481743	/nfs/dbraw/zinc/48/17/43/568481743.db2.gz	ZNDNTTLRFUDRON-IBGZPJMESA-N	0	0	424.432	2.489	50	70		HEIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1c[nH]cn1	ZINC000217614599	568898909	/nfs/dbraw/zinc/89/89/09/568898909.db2.gz	ITASKNNZCOGBPF-NRFANRHFSA-N	0	0	415.453	2.274	50	70	biogenic	HEIARN
Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1	ZINC000217696463	568906792	/nfs/dbraw/zinc/90/67/92/568906792.db2.gz	RGCLSKIJTDCCIO-UHFFFAOYSA-N	0	0	417.409	2.397	50	70		HEIARN
COc1ccc(NC(=O)C[C@@H]2NC(=O)N(CCc3c[nH]c4ccccc34)C2=O)cn1	ZINC000217776281	568911294	/nfs/dbraw/zinc/91/12/94/568911294.db2.gz	IOQROSPCMZTIEL-KRWDZBQOSA-N	0	0	407.430	2.063	50	70	biogenic	HEIARN
CS(=O)(=O)N1CCC(C(=O)NCCn2nc(-c3ccsc3)cc2C2CC2)CC1	ZINC000217878492	568917536	/nfs/dbraw/zinc/91/75/36/568917536.db2.gz	PWQQKCLBTYJYNQ-UHFFFAOYSA-N	0	0	422.576	2.277	50	70		HEIARN
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCc3ccccc3)[C@H]4C2=O)no1	ZINC000217717317	569039080	/nfs/dbraw/zinc/03/90/80/569039080.db2.gz	UARBUGLCFYZGSF-UCDZNZSDSA-N	0	0	407.470	2.407	50	70		HEIARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(=O)Oc2cc3c(cc21)OCO3	ZINC000218306134	568478200	/nfs/dbraw/zinc/47/82/00/568478200.db2.gz	ZSMGPRZGGZDDAR-GXTWGEPZSA-N	0	0	404.444	2.029	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)NCCc3nc(C)cs3)CS[C@H]21	ZINC000218507204	568481214	/nfs/dbraw/zinc/48/12/14/568481214.db2.gz	OBEFYDLUJKUCCY-HXPMCKFVSA-N	0	0	419.528	2.397	50	70		HEIARN
COc1cccc2c1ccn2CCNC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O	ZINC000218609584	568482404	/nfs/dbraw/zinc/48/24/04/568482404.db2.gz	WCKCWLHHJZVXSK-KRWDZBQOSA-N	0	0	424.457	2.260	50	70		HEIARN
COC(=O)c1sccc1S(=O)(=O)N1CC[C@H](n2cc(-c3ccccc3)nn2)C1	ZINC000217668150	568903895	/nfs/dbraw/zinc/90/38/95/568903895.db2.gz	YBAVJVWIJNDKBS-AWEZNQCLSA-N	0	0	418.500	2.429	50	70		HEIARN
O=C(Cn1cnc2ccccc21)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217837058	568915560	/nfs/dbraw/zinc/91/55/60/568915560.db2.gz	ZFFBSKMCDDRZAM-OAHLLOKOSA-N	0	0	403.446	2.358	50	70		HEIARN
O=S(=O)(Cc1ccccc1)N1CCN(C[C@@H](O)COc2ccccc2Cl)CC1	ZINC000217412006	569281564	/nfs/dbraw/zinc/28/15/64/569281564.db2.gz	VYFQFPDOZSTTQD-GOSISDBHSA-N	0	0	424.950	2.227	50	70		HEIARN
COc1ccc([C@@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)c(OC)c1	ZINC000218602546	568482393	/nfs/dbraw/zinc/48/23/93/568482393.db2.gz	OBCGCZGQMCAFPM-QGZVFWFLSA-N	0	0	423.469	2.253	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(c1)OCC(=O)N2C	ZINC000218217634	568836346	/nfs/dbraw/zinc/83/63/46/568836346.db2.gz	OAWPXLAODFBPGC-HNNXBMFYSA-N	0	0	412.398	2.299	50	70		HEIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCC1CCOCC1	ZINC000217873984	568917321	/nfs/dbraw/zinc/91/73/21/568917321.db2.gz	OCECPCZVPKMOTH-NRFANRHFSA-N	0	0	405.454	2.344	50	70	biogenic	HEIARN
COc1ccc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc1OCC(N)=O	ZINC000218127690	568926319	/nfs/dbraw/zinc/92/63/19/568926319.db2.gz	RNGJOVIFIUFHFD-LBPRGKRZSA-N	0	0	417.414	2.026	50	70	biogenic	HEIARN
CCOC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)Nc2nc(C)cc(C)n2)CC1	ZINC000218229176	568476622	/nfs/dbraw/zinc/47/66/22/568476622.db2.gz	GOIJSCQKVVAOOM-IBGZPJMESA-N	0	0	411.506	2.417	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc(-c2nc[nH]n2)c1	ZINC000218355482	568479014	/nfs/dbraw/zinc/47/90/14/568479014.db2.gz	NZAHANUXHIFAOQ-INIZCTEOSA-N	0	0	408.393	2.060	50	70		HEIARN
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1nc[nH]n1	ZINC000218365768	568479279	/nfs/dbraw/zinc/47/92/79/568479279.db2.gz	KYRQEGAAQFMLSP-SFHVURJKSA-N	0	0	402.414	2.338	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@@H]1C(=O)Nc1ccn(C)n1	ZINC000218521906	568481336	/nfs/dbraw/zinc/48/13/36/568481336.db2.gz	QODPBUHPCAHDPU-MAUKXSAKSA-N	0	0	402.476	2.424	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(c2ccccc2)C1=O)N1CCN(C/C=C/c2ccccc2)CC1	ZINC000218528253	568481484	/nfs/dbraw/zinc/48/14/84/568481484.db2.gz	DLOBMOIROWFOLB-CLNPQZTCSA-N	0	0	418.497	2.359	50	70		HEIARN
COc1ccc(Cc2nc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)n[nH]2)cc1	ZINC000218612018	568482507	/nfs/dbraw/zinc/48/25/07/568482507.db2.gz	SJQUBNSVVZMCJR-CYBMUJFWSA-N	0	0	404.430	2.314	50	70		HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](O)c2cn(C)c3ccccc23)cc1	ZINC000217576362	568894283	/nfs/dbraw/zinc/89/42/83/568894283.db2.gz	UKROEPUCUSCDTR-GOSISDBHSA-N	0	0	403.460	2.369	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NC(C)C)[C@H]21	ZINC000217676753	568905116	/nfs/dbraw/zinc/90/51/16/568905116.db2.gz	MWNSIPDGFUSUSQ-FQEVSTJZSA-N	0	0	409.442	2.343	50	70	biogenic	HEIARN
CCOC(=O)c1c[nH]c(=O)c2c1OC(=O)C[C@H]2c1ccc(OC)c(OC)c1OC	ZINC000217813920	568913980	/nfs/dbraw/zinc/91/39/80/568913980.db2.gz	CLVAZJHBROJPNV-NSHDSACASA-N	0	0	403.387	2.018	50	70	biogenic	HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)NCCc1ccc(O)cc1	ZINC000218152461	568475842	/nfs/dbraw/zinc/47/58/42/568475842.db2.gz	KLTUQCCNYKNTJX-KRWDZBQOSA-N	0	0	401.850	2.215	50	70		HEIARN
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)cc1OC	ZINC000218441767	568480451	/nfs/dbraw/zinc/48/04/51/568480451.db2.gz	MRQJYFMZVIWJIO-INIZCTEOSA-N	0	0	423.469	2.253	50	70		HEIARN
O=C(N[C@@H]1CCOC[C@H]1OCc1cscn1)c1ccc(N2CCCC2=O)cc1	ZINC000218520243	568481438	/nfs/dbraw/zinc/48/14/38/568481438.db2.gz	ZCEVFDZYJISZLO-QZTJIDSGSA-N	0	0	401.488	2.374	50	70		HEIARN
COc1ccc([C@H](CC(N)=O)c2c(Cc3ccc4c(c3)CCO4)[nH][nH]c2=O)c(OC)c1	ZINC000218602472	568482406	/nfs/dbraw/zinc/48/24/06/568482406.db2.gz	OBCGCZGQMCAFPM-KRWDZBQOSA-N	0	0	423.469	2.253	50	70		HEIARN
COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1	ZINC000217823224	568914481	/nfs/dbraw/zinc/91/44/81/568914481.db2.gz	FLFHTLRLAMGCQF-ZDUSSCGKSA-N	0	0	405.476	2.377	50	70		HEIARN
COc1ccc(NC(=O)[C@H]2CS[C@H]3c4ccc(OC)c(OC)c4C(=O)N23)cn1	ZINC000218092116	568925603	/nfs/dbraw/zinc/92/56/03/568925603.db2.gz	NOJGUZHAMRMVHN-BLVKFPJESA-N	0	0	401.444	2.316	50	70	biogenic	HEIARN
CSCC[C@@H](CO)NC(=O)Cn1cnc2sc(-c3ccccc3)cc2c1=O	ZINC000218172489	568927286	/nfs/dbraw/zinc/92/72/86/568927286.db2.gz	ZQSWFZKEDLDQKM-AWEZNQCLSA-N	0	0	403.529	2.355	50	70		HEIARN
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1[C@H]1CC(=O)Oc2cc3c(cc21)OCO3	ZINC000218306185	568478225	/nfs/dbraw/zinc/47/82/25/568478225.db2.gz	ZSMGPRZGGZDDAR-JSGCOSHPSA-N	0	0	404.444	2.029	50	70		HEIARN
CC(C)Cc1nnc(NC(=O)C[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)[nH]1	ZINC000218385283	568479579	/nfs/dbraw/zinc/47/95/79/568479579.db2.gz	CAMFHGPSKMMGLB-ZDUSSCGKSA-N	0	0	404.858	2.106	50	70		HEIARN
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(C[C@@H](O)c2ccccc2F)nn1	ZINC000217474716	568883358	/nfs/dbraw/zinc/88/33/58/568883358.db2.gz	UGYQGHZLVCKQPB-HXUWFJFHSA-N	0	0	423.448	2.208	50	70		HEIARN
COc1ccc(S(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3s2)cc1C(N)=O	ZINC000217516404	568887761	/nfs/dbraw/zinc/88/77/61/568887761.db2.gz	MTVGHEVBWREYNY-LJQANCHMSA-N	0	0	420.512	2.195	50	70		HEIARN
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C4CC4)no3)C2)cc1	ZINC000217810160	568913844	/nfs/dbraw/zinc/91/38/44/568913844.db2.gz	RWTADFSNUSELHS-AWEZNQCLSA-N	0	0	418.519	2.292	50	70		HEIARN
O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217836492	568915302	/nfs/dbraw/zinc/91/53/02/568915302.db2.gz	BKMGEXVTUIZJFU-OAHLLOKOSA-N	0	0	416.445	2.202	50	70		HEIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1	ZINC000217977866	568921763	/nfs/dbraw/zinc/92/17/63/568921763.db2.gz	LPTFIKBKZMAIIG-VPKVUBIPSA-N	0	0	415.490	2.054	50	70	biogenic	HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@H](c2ccccc2)C1	ZINC000218353826	568929810	/nfs/dbraw/zinc/92/98/10/568929810.db2.gz	SEVJTKUILYBAGS-OALUTQOASA-N	0	0	411.433	2.236	50	70		HEIARN
COCc1nc(-c2cccc(NC(=O)CCN3C(=O)CC4(CCCC4)C3=O)c2)n[nH]1	ZINC000218179593	568476089	/nfs/dbraw/zinc/47/60/89/568476089.db2.gz	ZOIJUACNLGQDLE-UHFFFAOYSA-N	0	0	411.462	2.266	50	70		HEIARN
CC(=O)Nc1cccc2c1ccn2CC(=O)N1CCN(CCc2ccccn2)CC1	ZINC000218235453	568476704	/nfs/dbraw/zinc/47/67/04/568476704.db2.gz	VAKKVQSODHECKT-UHFFFAOYSA-N	0	0	405.502	2.382	50	70		HEIARN
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1[C@@H]1CC(=O)Oc2cc3c(cc21)OCO3	ZINC000218306021	568478145	/nfs/dbraw/zinc/47/81/45/568478145.db2.gz	ZSMGPRZGGZDDAR-TZMCWYRMSA-N	0	0	404.444	2.029	50	70		HEIARN
O=C(Nc1ccc2nc[nH]c(=O)c2c1)[C@@H]1CC(=O)N(c2cc(F)c(F)c(F)c2)C1	ZINC000218404906	568479822	/nfs/dbraw/zinc/47/98/22/568479822.db2.gz	PVNKSUFCQUHQGX-SECBINFHSA-N	0	0	402.332	2.332	50	70		HEIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1c[nH]cn1	ZINC000217614526	568898857	/nfs/dbraw/zinc/89/88/57/568898857.db2.gz	ITASKNNZCOGBPF-OAQYLSRUSA-N	0	0	415.453	2.274	50	70	biogenic	HEIARN
Cn1ccnc1S(=O)(=O)C1CCN(S(=O)(=O)c2cccc3ccccc32)CC1	ZINC000217697536	568906800	/nfs/dbraw/zinc/90/68/00/568906800.db2.gz	ZTSXVMXTXTXKNC-UHFFFAOYSA-N	0	0	419.528	2.200	50	70		HEIARN
O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217853133	568916512	/nfs/dbraw/zinc/91/65/12/568916512.db2.gz	LQZARCCLGXEPEA-LBPRGKRZSA-N	0	0	421.429	2.448	50	70		HEIARN
COC(=O)Nc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)cc1	ZINC000217872049	568917306	/nfs/dbraw/zinc/91/73/06/568917306.db2.gz	UCRRDANQYHFPPU-UHFFFAOYSA-N	0	0	415.475	2.410	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218353912	568929781	/nfs/dbraw/zinc/92/97/81/568929781.db2.gz	SEVJTKUILYBAGS-RBUKOAKNSA-N	0	0	411.433	2.236	50	70		HEIARN
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)Nc1n[nH]c(CCc2ccccc2)n1	ZINC000218033763	569039150	/nfs/dbraw/zinc/03/91/50/569039150.db2.gz	KKPBFNZPRYAMDD-MPGHIAIKSA-N	0	0	414.535	2.254	50	70	biogenic	HEIARN
O=C(CC[C@@H]1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2nc[nH]n2)c1	ZINC000218186332	568476175	/nfs/dbraw/zinc/47/61/75/568476175.db2.gz	XVAWJHZWWGLLHL-SFHVURJKSA-N	0	0	418.457	2.354	50	70		HEIARN
O=C(CN1c2cccnc2Sc2ccccc2C1=O)NCCCN1CCOCC1	ZINC000218292562	568477750	/nfs/dbraw/zinc/47/77/50/568477750.db2.gz	GZIWSCPOEFXZBY-UHFFFAOYSA-N	0	0	412.515	2.032	50	70		HEIARN
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1nc[nH]n1	ZINC000218365694	568479318	/nfs/dbraw/zinc/47/93/18/568479318.db2.gz	KYRQEGAAQFMLSP-GOSISDBHSA-N	0	0	402.414	2.338	50	70		HEIARN
COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(CCc3cccc(F)c3)C2=O)cn1	ZINC000218395592	568479783	/nfs/dbraw/zinc/47/97/83/568479783.db2.gz	LMOLSAIXHZEHMA-INIZCTEOSA-N	0	0	400.410	2.111	50	70		HEIARN
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)NCCc1nc(-c2cccnc2)no1	ZINC000218595538	568882882	/nfs/dbraw/zinc/88/28/82/568882882.db2.gz	GOTSVQZJOJUNFZ-QGZVFWFLSA-N	0	0	423.473	2.062	50	70		HEIARN
COCCn1c(C)cc(C)c(C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1=O	ZINC000217643214	568901473	/nfs/dbraw/zinc/90/14/73/568901473.db2.gz	PJKCPLUNZUOHHQ-UHFFFAOYSA-N	0	0	400.475	2.327	50	70	biogenic	HEIARN
CCOc1ccc(S(=O)(=O)N2CCC(Oc3cc(C)n(C)c(=O)c3)CC2)cc1F	ZINC000217779170	568911562	/nfs/dbraw/zinc/91/15/62/568911562.db2.gz	XDZRZTAWAPHRLF-UHFFFAOYSA-N	0	0	424.494	2.464	50	70		HEIARN
COC(=O)C[C@H](c1ccnn1C)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218020109	568923404	/nfs/dbraw/zinc/92/34/04/568923404.db2.gz	AGNOHUCFWBFZDW-QGZVFWFLSA-N	0	0	411.458	2.239	50	70	biogenic	HEIARN
COc1ccc(NC(=O)[C@H]2CS[C@@H]3c4ccc(OC)c(OC)c4C(=O)N32)cn1	ZINC000218092282	568925607	/nfs/dbraw/zinc/92/56/07/568925607.db2.gz	NOJGUZHAMRMVHN-CWTRNNRKSA-N	0	0	401.444	2.316	50	70	biogenic	HEIARN
Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCc3ccccc3)[C@H]4C2=O)no1	ZINC000217717403	569039063	/nfs/dbraw/zinc/03/90/63/569039063.db2.gz	UARBUGLCFYZGSF-MMLLQUPCSA-N	0	0	407.470	2.407	50	70		HEIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)Cc1nn(C)c(=O)c2ccccc12	ZINC000218185455	568475996	/nfs/dbraw/zinc/47/59/96/568475996.db2.gz	IZCAYQURTRJGIQ-HNNXBMFYSA-N	0	0	419.485	2.350	50	70		HEIARN
CC(C)Cc1nnc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)[nH]1	ZINC000218186718	568476118	/nfs/dbraw/zinc/47/61/18/568476118.db2.gz	HOFGTINBPYJZFE-AWEZNQCLSA-N	0	0	418.885	2.496	50	70		HEIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O)N[C@H](CO)c1ccccc1	ZINC000218296373	568477998	/nfs/dbraw/zinc/47/79/98/568477998.db2.gz	YGWSERVCOUHWEX-DLBZAZTESA-N	0	0	401.850	2.000	50	70		HEIARN
COc1cc([C@H](CC(N)=O)c2c(Cc3ccccc3)[nH][nH]c2=O)cc(OC)c1OC	ZINC000218559810	568481732	/nfs/dbraw/zinc/48/17/32/568481732.db2.gz	DVTNBCBUUIDRQO-HNNXBMFYSA-N	0	0	411.458	2.327	50	70		HEIARN
COC(=O)c1ccccc1C(=O)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1	ZINC000217842245	568915887	/nfs/dbraw/zinc/91/58/87/568915887.db2.gz	WLLNKXBEMWYEPF-AWEZNQCLSA-N	0	0	407.430	2.408	50	70		HEIARN
O=C1COC(=O)N1C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccccc1	ZINC000217982201	568922048	/nfs/dbraw/zinc/92/20/48/568922048.db2.gz	RIIQQBLDXHSTOX-LLVKDONJSA-N	0	0	400.865	2.400	50	70		HEIARN
COC(=O)CCNC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccc2c(c1)OCO2	ZINC000218126169	568926294	/nfs/dbraw/zinc/92/62/94/568926294.db2.gz	GKHCFQLJGSHSKL-VQTJNVASSA-N	0	0	410.426	2.005	50	70	biogenic	HEIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)N1CCO[C@@H](c2ccccc2)C1	ZINC000218173137	568476021	/nfs/dbraw/zinc/47/60/21/568476021.db2.gz	BICHRCLCXAJEDH-VQTJNVASSA-N	0	0	407.470	2.487	50	70		HEIARN
O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1	ZINC000217751489	568909555	/nfs/dbraw/zinc/90/95/55/568909555.db2.gz	KLSHJIPADOYATF-HIFRSBDPSA-N	0	0	402.476	2.125	50	70	biogenic	HEIARN
O=C(Nc1nnc([C@@H]2CCCO2)s1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1	ZINC000217751554	568909558	/nfs/dbraw/zinc/90/95/58/568909558.db2.gz	KLSHJIPADOYATF-ZFWWWQNUSA-N	0	0	402.476	2.125	50	70	biogenic	HEIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCC1CCOCC1	ZINC000217873906	568917330	/nfs/dbraw/zinc/91/73/30/568917330.db2.gz	OCECPCZVPKMOTH-OAQYLSRUSA-N	0	0	405.454	2.344	50	70	biogenic	HEIARN
COC(=O)C[C@@H](c1ccnn1C)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000218020177	569050997	/nfs/dbraw/zinc/05/09/97/569050997.db2.gz	AGNOHUCFWBFZDW-KRWDZBQOSA-N	0	0	411.458	2.239	50	70	biogenic	HEIARN
CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc21)c1nnc2ccccn21	ZINC000218398980	568479750	/nfs/dbraw/zinc/47/97/50/568479750.db2.gz	MMMAJBZPNIILNB-HNNXBMFYSA-N	0	0	408.487	2.200	50	70		HEIARN
COc1cc2nc(C)n(CC(=O)N3CCO[C@H](c4ccccc4)C3)c(=O)c2cc1OC	ZINC000218401342	568479929	/nfs/dbraw/zinc/47/99/29/568479929.db2.gz	GDIGBWYIXHVXMR-NRFANRHFSA-N	0	0	423.469	2.322	50	70		HEIARN
COc1ccc2c(c1OC)C(=O)N1[C@@H](C(=O)NCCc3nc(C)cs3)CS[C@@H]21	ZINC000218507117	568481199	/nfs/dbraw/zinc/48/11/99/568481199.db2.gz	OBEFYDLUJKUCCY-BLVKFPJESA-N	0	0	419.528	2.397	50	70		HEIARN
O=C(Cc1ccc(Br)cc1)N1Cc2cnc(N3CCOCC3)nc2C1	ZINC000217612459	568898854	/nfs/dbraw/zinc/89/88/54/568898854.db2.gz	DVGZCSAEDYIRPB-UHFFFAOYSA-N	0	0	403.280	2.161	50	70		HEIARN
COc1ccc(Br)c(C(=O)N2CC(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)C2)c1	ZINC000217725828	568908379	/nfs/dbraw/zinc/90/83/79/568908379.db2.gz	PMZWPLYQPFXWSA-ZIAGYGMSSA-N	0	0	419.275	2.233	50	70		HEIARN
O=C(Nc1nnc([C@H]2CCCO2)s1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1	ZINC000217751635	568909560	/nfs/dbraw/zinc/90/95/60/568909560.db2.gz	KLSHJIPADOYATF-UKRRQHHQSA-N	0	0	402.476	2.125	50	70	biogenic	HEIARN
COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(F)ccc1-n1cnnn1	ZINC000218345235	568929599	/nfs/dbraw/zinc/92/95/99/568929599.db2.gz	XBTSMDXSJBORFC-ZDUSSCGKSA-N	0	0	409.425	2.289	50	70		HEIARN