smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@@H]3CCCO3)[C@@H]21	ZINC000217620075	569880593	/nfs/dbraw/zinc/88/05/93/569880593.db2.gz	FTURTIRIQJFVES-UPCLLVRISA-N	0	0	479.533	2.894	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@@H]3CCCO3)[C@H]21	ZINC000217619990	569880620	/nfs/dbraw/zinc/88/06/20/569880620.db2.gz	FTURTIRIQJFVES-FYSMJZIKSA-N	0	0	479.533	2.894	50	70	biogenic	JFIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccnn2C)o1	ZINC000217737807	569881375	/nfs/dbraw/zinc/88/13/75/569881375.db2.gz	QGGPVOHMJZKZBJ-SFHVURJKSA-N	0	0	462.506	2.814	50	70	biogenic	JFIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217881009	569882025	/nfs/dbraw/zinc/88/20/25/569882025.db2.gz	FPNIAUUBROMQLK-IBGZPJMESA-N	0	0	483.565	2.800	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O	ZINC000218272746	569883127	/nfs/dbraw/zinc/88/31/27/569883127.db2.gz	RIPGVXDFCGCBPC-SFHVURJKSA-N	0	0	460.508	2.656	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@H]3CCCO3)[C@@H]21	ZINC000217620250	569880614	/nfs/dbraw/zinc/88/06/14/569880614.db2.gz	FTURTIRIQJFVES-VOIUYBSRSA-N	0	0	479.533	2.894	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3cccn3C)[C@H]21	ZINC000217723061	569881153	/nfs/dbraw/zinc/88/11/53/569881153.db2.gz	ZVZGOORSTWHZDX-DEOSSOPVSA-N	0	0	474.517	2.864	50	70	biogenic	JFIARN
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@H]32)cn1	ZINC000217834577	569881812	/nfs/dbraw/zinc/88/18/12/569881812.db2.gz	HRTLLHDWSYVEHO-QHCPKHFHSA-N	0	0	474.473	2.861	50	70	biogenic	JFIARN
COc1ccc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4c(ccc(OC)c4OC)[C@@H]32)cn1	ZINC000217834497	569881843	/nfs/dbraw/zinc/88/18/43/569881843.db2.gz	HRTLLHDWSYVEHO-HSZRJFAPSA-N	0	0	474.473	2.861	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCn3cccc3)[C@@H]21	ZINC000217956378	569882230	/nfs/dbraw/zinc/88/22/30/569882230.db2.gz	YWZNSDMAOPKFOR-XMMPIXPASA-N	0	0	474.517	2.827	50	70	biogenic	JFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3c[nH]c4ccc(OC)cc34)C2=O)cc1	ZINC000218032644	569882489	/nfs/dbraw/zinc/88/24/89/569882489.db2.gz	AHWAUAUQTRBTAU-NRFANRHFSA-N	0	0	450.495	2.749	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3ccnc3)n2)c1	ZINC000218199936	569882997	/nfs/dbraw/zinc/88/29/97/569882997.db2.gz	GSCJXMKUTZTMHK-GOSISDBHSA-N	0	0	474.477	2.974	50	70		JFIARN
CC(C)(C)OC(=O)N1CCN(C(=O)C[C@@H]2NC(=O)N(c3cccc4ccccc43)C2=O)CC1	ZINC000218448989	569883334	/nfs/dbraw/zinc/88/33/34/569883334.db2.gz	TYKDMJAGXHAHLD-SFHVURJKSA-N	0	0	452.511	2.734	50	70		JFIARN
O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nnc(CCCc2c[nH]c3ccccc23)[nH]1	ZINC000217625325	569880679	/nfs/dbraw/zinc/88/06/79/569880679.db2.gz	YJHVKYRCCLZRJC-FQEVSTJZSA-N	0	0	471.521	2.931	50	70	biogenic	JFIARN
Cn1c2ccccc2cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c1=O	ZINC000218219205	569883026	/nfs/dbraw/zinc/88/30/26/569883026.db2.gz	BFYUGQNAMJZRFZ-LIRRHRJNSA-N	0	0	454.552	2.933	50	70		JFIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1	ZINC000218208601	569883047	/nfs/dbraw/zinc/88/30/47/569883047.db2.gz	NGBDRSOLWDSQPJ-SFHVURJKSA-N	0	0	461.440	2.656	50	70		JFIARN
CSCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)c1nnc2ccccn21	ZINC000218347706	569883288	/nfs/dbraw/zinc/88/32/88/569883288.db2.gz	XLMFAHPLEQEDBJ-ROUUACIJSA-N	0	0	466.567	2.541	50	70		JFIARN
CSCC[C@H](NC(=O)Cn1ccc2c1cccc2NS(C)(=O)=O)c1nnc2ccccn21	ZINC000218366826	569883300	/nfs/dbraw/zinc/88/33/00/569883300.db2.gz	YGNYFSCVIAZDGU-KRWDZBQOSA-N	0	0	472.596	2.666	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCOC(C)C)[C@@H]21	ZINC000217620747	569880617	/nfs/dbraw/zinc/88/06/17/569880617.db2.gz	SOUAACDTXJVOIB-HSZRJFAPSA-N	0	0	467.522	2.750	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3ccccn3)[C@H]21	ZINC000217827221	569881784	/nfs/dbraw/zinc/88/17/84/569881784.db2.gz	VEFZTYDMWKPNLM-DEOSSOPVSA-N	0	0	472.501	2.920	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccccn3)[C@H]21	ZINC000217880057	569881990	/nfs/dbraw/zinc/88/19/90/569881990.db2.gz	VZUPLSOGAQBNSU-DEOSSOPVSA-N	0	0	472.501	2.573	50	70	biogenic	JFIARN
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCO[C@H](c2ccccc2)C1	ZINC000218532071	569883390	/nfs/dbraw/zinc/88/33/90/569883390.db2.gz	NCIOGERHPOUWQP-MHZLTWQESA-N	0	0	474.605	2.987	50	70		JFIARN
Cn1c(CN2CCN(c3ccccc3)CC2)cc(=O)c(O)c1CN1CCO[C@@H](c2ccccc2)C1	ZINC000218532142	569883431	/nfs/dbraw/zinc/88/34/31/569883431.db2.gz	NCIOGERHPOUWQP-HHHXNRCGSA-N	0	0	474.605	2.987	50	70		JFIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)NCCCn3ccc4cc(OC)ccc43)C2=O)cc1	ZINC000218505576	569883443	/nfs/dbraw/zinc/88/34/43/569883443.db2.gz	OCCHWFIODIZOBF-FQEVSTJZSA-N	0	0	450.495	2.680	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCC(=O)NC[C@H]3CCCO3)[C@H]21	ZINC000217620167	569880589	/nfs/dbraw/zinc/88/05/89/569880589.db2.gz	FTURTIRIQJFVES-GYCJOSAFSA-N	0	0	479.533	2.894	50	70	biogenic	JFIARN
O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc4c(c3)OCO4)C(=O)[C@@H]1[C@@H]1CCCN12	ZINC000217728620	569881221	/nfs/dbraw/zinc/88/12/21/569881221.db2.gz	HYBOVSJRJVUKAN-ZFTZODIFSA-N	0	0	485.418	2.865	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccco3)[C@@H]21	ZINC000217824600	569881769	/nfs/dbraw/zinc/88/17/69/569881769.db2.gz	WTLHPIDWBKWZCV-HSZRJFAPSA-N	0	0	461.474	2.771	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccncc3)[C@H]21	ZINC000217850967	569881821	/nfs/dbraw/zinc/88/18/21/569881821.db2.gz	YQHVAYNDYRSPCX-DEOSSOPVSA-N	0	0	472.501	2.573	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccccn3)[C@@H]21	ZINC000217880139	569881995	/nfs/dbraw/zinc/88/19/95/569881995.db2.gz	VZUPLSOGAQBNSU-XMMPIXPASA-N	0	0	472.501	2.573	50	70	biogenic	JFIARN
O=c1occ(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([O-])c1CN1CCOCC1	ZINC000218151185	569882944	/nfs/dbraw/zinc/88/29/44/569882944.db2.gz	YFBFNVFCVILBSD-UHFFFAOYSA-N	0	0	454.354	2.807	50	70		JFIARN
O=C(CC1(n2cccc2)CCOCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000218244859	569883173	/nfs/dbraw/zinc/88/31/73/569883173.db2.gz	UYBPPRTYJXYZQH-UHFFFAOYSA-N	0	0	451.976	2.570	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3ccccn3)[C@@H]21	ZINC000217661731	569880889	/nfs/dbraw/zinc/88/08/89/569880889.db2.gz	FZNNEENNDGJJOT-RUZDIDTESA-N	0	0	486.528	2.963	50	70	biogenic	JFIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCCc1nnc2ccccn21	ZINC000217799211	569881601	/nfs/dbraw/zinc/88/16/01/569881601.db2.gz	FJRFGKNOKFIMAZ-XMMPIXPASA-N	0	0	466.501	2.593	50	70	biogenic	JFIARN
COC(=O)CNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217848408	569881866	/nfs/dbraw/zinc/88/18/66/569881866.db2.gz	NSMROUSVFYUDTE-XMMPIXPASA-N	0	0	495.532	2.668	50	70	biogenic	JFIARN
COC(=O)C[C@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217928838	569882135	/nfs/dbraw/zinc/88/21/35/569882135.db2.gz	KRENPMSJCAWWCV-HXUWFJFHSA-N	0	0	491.544	2.696	50	70	biogenic	JFIARN
O=C(CC[C@@H]1NC(=O)N(Cc2ccc3c(c2)OCO3)C1=O)N1CCCC[C@H]1c1cccnc1	ZINC000218038792	569882492	/nfs/dbraw/zinc/88/24/92/569882492.db2.gz	JOSZNJWEWGLSJL-OALUTQOASA-N	0	0	450.495	2.765	50	70	biogenic	JFIARN
COc1ccccc1CN1C(=O)N[C@@H](CCC(=O)NCCn2ccc3ccc(F)cc32)C1=O	ZINC000218267831	569883136	/nfs/dbraw/zinc/88/31/36/569883136.db2.gz	XIBUJSNVLKODNV-IBGZPJMESA-N	0	0	452.486	2.806	50	70		JFIARN
O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NCCCCCc1nnc2ccccn21	ZINC000218282397	569883245	/nfs/dbraw/zinc/88/32/45/569883245.db2.gz	GRJAVHYDCBQUNP-NRFANRHFSA-N	0	0	487.564	2.593	50	70		JFIARN
COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000101083133	569781896	/nfs/dbraw/zinc/78/18/96/569781896.db2.gz	YKHKJDLJSRXRKT-IZZNHLLZSA-N	0	0	487.492	2.939	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3ccccn3)[C@@H]21	ZINC000217788669	569881595	/nfs/dbraw/zinc/88/15/95/569881595.db2.gz	FKCSSIYAWNDTCF-HSZRJFAPSA-N	0	0	458.474	2.530	50	70	biogenic	JFIARN
COC(=O)C[C@@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217835650	569881835	/nfs/dbraw/zinc/88/18/35/569881835.db2.gz	QHDHBMVSWIOJIO-KRWDZBQOSA-N	0	0	459.495	2.806	50	70	biogenic	JFIARN
CC(C)(C)OC(=O)N1CCN(Cc2oc(CN3CCc4ccccc4C3)cc(=O)c2O)CC1	ZINC000218291970	569883196	/nfs/dbraw/zinc/88/31/96/569883196.db2.gz	PROTXRSAUCDEEL-UHFFFAOYSA-N	0	0	455.555	2.956	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3cccnc3)[C@@H]21	ZINC000217605379	569880491	/nfs/dbraw/zinc/88/04/91/569880491.db2.gz	HUJBCAUYJYQMPY-HSZRJFAPSA-N	0	0	458.474	2.530	50	70	biogenic	JFIARN
COC(=O)[C@H](CCSC)NC(=O)c1cn(-c2ccc3c(c2)OCO3)c(=O)c2ccccc12	ZINC000217655153	569880874	/nfs/dbraw/zinc/88/08/74/569880874.db2.gz	ZXKLAMHQDVCTTN-SFHVURJKSA-N	0	0	454.504	2.744	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3ccccn3)[C@@H]21	ZINC000217827295	569881741	/nfs/dbraw/zinc/88/17/41/569881741.db2.gz	VEFZTYDMWKPNLM-XMMPIXPASA-N	0	0	472.501	2.920	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3nccs3)[C@H]21	ZINC000217821789	569881771	/nfs/dbraw/zinc/88/17/71/569881771.db2.gz	UWNJMIKZTYMRBE-IBGZPJMESA-N	0	0	450.476	2.914	50	70	biogenic	JFIARN
COCc1cc(=O)c(O)c([C@@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cnn(C)c2)o1	ZINC000217921909	569882148	/nfs/dbraw/zinc/88/21/48/569882148.db2.gz	LFEZCHCQLAUCNF-IBGZPJMESA-N	0	0	462.506	2.814	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3nc(C)cs3)[C@@H]21	ZINC000217933350	569882158	/nfs/dbraw/zinc/88/21/58/569882158.db2.gz	JNXYOYFWDFZEFW-HSZRJFAPSA-N	0	0	492.557	2.942	50	70	biogenic	JFIARN
COC(=O)COc1ccccc1[C@@H](CC(=O)OC)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000218049028	569882573	/nfs/dbraw/zinc/88/25/73/569882573.db2.gz	VNMJSRSCTYFXGU-GOSISDBHSA-N	0	0	459.495	2.578	50	70	biogenic	JFIARN
Cn1c2ccccc2cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c1=O	ZINC000218219127	569883045	/nfs/dbraw/zinc/88/30/45/569883045.db2.gz	BFYUGQNAMJZRFZ-IFXJQAMLSA-N	0	0	454.552	2.933	50	70		JFIARN
COC(=O)[C@@H]1OC(C)(C)O[C@@H]1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000101083137	569781941	/nfs/dbraw/zinc/78/19/41/569781941.db2.gz	YKHKJDLJSRXRKT-CLJLJLNGSA-N	0	0	487.492	2.939	50	70		JFIARN
COC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@@H]32)nc1C	ZINC000217688388	569881072	/nfs/dbraw/zinc/88/10/72/569881072.db2.gz	VKXAQIHXFPNURF-LJQANCHMSA-N	0	0	462.487	2.992	50	70	biogenic	JFIARN
COC(=O)c1sc(NC(=O)CN2C(=O)c3ccccc3N3C(=O)c4ccccc4[C@H]32)nc1C	ZINC000217688472	569881110	/nfs/dbraw/zinc/88/11/10/569881110.db2.gz	VKXAQIHXFPNURF-IBGZPJMESA-N	0	0	462.487	2.992	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3cccnc3)[C@H]21	ZINC000217867628	569881959	/nfs/dbraw/zinc/88/19/59/569881959.db2.gz	PIYBYAFKFKVUIK-DEOSSOPVSA-N	0	0	472.501	2.920	50	70	biogenic	JFIARN
COC(=O)COc1ccccc1[C@H](CC(=O)OC)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000218049103	569882557	/nfs/dbraw/zinc/88/25/57/569882557.db2.gz	VNMJSRSCTYFXGU-SFHVURJKSA-N	0	0	459.495	2.578	50	70	biogenic	JFIARN
CC(=O)Nc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1	ZINC000217522268	569880203	/nfs/dbraw/zinc/88/02/03/569880203.db2.gz	KSIUKGHMZRYBIB-ANNHOSHMSA-N	0	0	470.529	2.772	50	70	biogenic	JFIARN
O=C(C[C@@H]1NC(=O)c2ccccc2NC1=O)N1CCc2[nH]c3c(cccc3Br)c2C1	ZINC000217593723	569880413	/nfs/dbraw/zinc/88/04/13/569880413.db2.gz	KCXAAEUGYJRSPU-SFHVURJKSA-N	0	0	467.323	2.956	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCc3ccccn3)[C@H]21	ZINC000217661648	569880871	/nfs/dbraw/zinc/88/08/71/569880871.db2.gz	FZNNEENNDGJJOT-VWLOTQADSA-N	0	0	486.528	2.963	50	70	biogenic	JFIARN
COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3ccc4c(ccn4C)c3)C2=O)cc1OC	ZINC000217720745	569881157	/nfs/dbraw/zinc/88/11/57/569881157.db2.gz	CWFPHEBQVPHYMW-SFHVURJKSA-N	0	0	450.495	2.687	50	70	biogenic	JFIARN
COC(=O)[C@H](CCSC)NC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2	ZINC000217741248	569881305	/nfs/dbraw/zinc/88/13/05/569881305.db2.gz	XQNAYDWYSYNSKW-HNNXBMFYSA-N	0	0	463.552	2.995	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@H]3CCCO3)[C@H]21	ZINC000217857083	569881922	/nfs/dbraw/zinc/88/19/22/569881922.db2.gz	FPNIDMZXMYSHOX-CMJOXMDJSA-N	0	0	465.506	2.504	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3cccnc3)[C@@H]21	ZINC000217867712	569881926	/nfs/dbraw/zinc/88/19/26/569881926.db2.gz	PIYBYAFKFKVUIK-XMMPIXPASA-N	0	0	472.501	2.920	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCn3ccnc3)[C@H]21	ZINC000217870827	569881961	/nfs/dbraw/zinc/88/19/61/569881961.db2.gz	JERCWRIBAHQFFK-DEOSSOPVSA-N	0	0	489.532	2.612	50	70	biogenic	JFIARN
CC(C)C[C@H](NC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)c1nnc2ccccn21	ZINC000218291646	569883190	/nfs/dbraw/zinc/88/31/90/569883190.db2.gz	GRSOMXARCCNTNO-SFTDATJTSA-N	0	0	487.564	2.967	50	70		JFIARN
COc1ccccc1OCCN1CCN(Cc2oc(CN3CCCCC3)cc(=O)c2O)CC1	ZINC000218514487	569883409	/nfs/dbraw/zinc/88/34/09/569883409.db2.gz	LLAUYNOODIGLJK-UHFFFAOYSA-N	0	0	457.571	2.537	50	70		JFIARN
COC(=O)[C@H]1OC(C)(C)O[C@H]1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000101083127	569781848	/nfs/dbraw/zinc/78/18/48/569781848.db2.gz	YKHKJDLJSRXRKT-UIOOFZCWSA-N	0	0	487.492	2.939	50	70		JFIARN
COCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21	ZINC000217620942	569880613	/nfs/dbraw/zinc/88/06/13/569880613.db2.gz	ARTVSXPKPOLYEM-QHCPKHFHSA-N	0	0	467.522	2.752	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCCOC(C)C)[C@H]21	ZINC000217620669	569880618	/nfs/dbraw/zinc/88/06/18/569880618.db2.gz	SOUAACDTXJVOIB-QHCPKHFHSA-N	0	0	467.522	2.750	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC3CCOCC3)[C@@H]21	ZINC000217637692	569880768	/nfs/dbraw/zinc/88/07/68/569880768.db2.gz	CYSOGWZAXXDBIL-XMMPIXPASA-N	0	0	479.533	2.752	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCc3cccn3C)[C@@H]21	ZINC000217723156	569881181	/nfs/dbraw/zinc/88/11/81/569881181.db2.gz	ZVZGOORSTWHZDX-XMMPIXPASA-N	0	0	474.517	2.864	50	70	biogenic	JFIARN
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCc1nnc2ccccn21	ZINC000217793472	569881626	/nfs/dbraw/zinc/88/16/26/569881626.db2.gz	ZOHHWCFLHBUNIE-XMMPIXPASA-N	0	0	466.501	2.941	50	70	biogenic	JFIARN
CCOC(=O)N1CCN(C(=O)CC/C(C)=C/Cc2c(O)c3c(c(C)c2OC)COC3=O)CC1	ZINC000217846754	569881818	/nfs/dbraw/zinc/88/18/18/569881818.db2.gz	TYBAIZOSECTGOD-GIDUJCDVSA-N	0	0	460.527	2.949	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@H]3CCCO3)[C@@H]21	ZINC000217857149	569881944	/nfs/dbraw/zinc/88/19/44/569881944.db2.gz	FPNIDMZXMYSHOX-IQMFZBJNSA-N	0	0	465.506	2.504	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC(=O)c3ccccc3)[C@@H]21	ZINC000217896117	569882075	/nfs/dbraw/zinc/88/20/75/569882075.db2.gz	CURBBBNJDYEFFL-RUZDIDTESA-N	0	0	485.496	2.818	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCn3cccc3)[C@H]21	ZINC000217956291	569882219	/nfs/dbraw/zinc/88/22/19/569882219.db2.gz	YWZNSDMAOPKFOR-DEOSSOPVSA-N	0	0	474.517	2.827	50	70	biogenic	JFIARN
CC(C)Oc1ccc(-c2noc(CNC(=O)CC[C@@H]3NC(=O)c4ccccc4NC3=O)n2)cc1	ZINC000218149105	569882930	/nfs/dbraw/zinc/88/29/30/569882930.db2.gz	JOANSGSQTLPCJO-IBGZPJMESA-N	0	0	463.494	2.671	50	70		JFIARN
CSCC[C@H](NC(=O)CCCN1C(=O)c2cccnc2C1=O)c1nc2ccccc2n1C	ZINC000218149731	569882954	/nfs/dbraw/zinc/88/29/54/569882954.db2.gz	XUIIZHNCWNFIQV-KRWDZBQOSA-N	0	0	451.552	2.955	50	70		JFIARN
Cn1c2ccccc2cc([C@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c1=O	ZINC000218218979	569882986	/nfs/dbraw/zinc/88/29/86/569882986.db2.gz	BFYUGQNAMJZRFZ-AUUYWEPGSA-N	0	0	454.552	2.933	50	70		JFIARN
O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)N1CCC(O)(c2ccc(Cl)cc2)CC1	ZINC000218346992	569883278	/nfs/dbraw/zinc/88/32/78/569883278.db2.gz	WCJGUKJKCBLZNY-IBGZPJMESA-N	0	0	459.905	2.800	50	70		JFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCn3ccc4cc(OC)ccc43)C2=O)cc1	ZINC000218501596	569883389	/nfs/dbraw/zinc/88/33/89/569883389.db2.gz	UILFIQUMVWZGOR-FQEVSTJZSA-N	0	0	450.495	2.680	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3cccnc3)[C@H]21	ZINC000217605311	569880471	/nfs/dbraw/zinc/88/04/71/569880471.db2.gz	HUJBCAUYJYQMPY-QHCPKHFHSA-N	0	0	458.474	2.530	50	70	biogenic	JFIARN
COCCCNC(=O)CCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21	ZINC000217620861	569880625	/nfs/dbraw/zinc/88/06/25/569880625.db2.gz	ARTVSXPKPOLYEM-HSZRJFAPSA-N	0	0	467.522	2.752	50	70	biogenic	JFIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2ccnn2C)o1	ZINC000217737706	569881331	/nfs/dbraw/zinc/88/13/31/569881331.db2.gz	QGGPVOHMJZKZBJ-GOSISDBHSA-N	0	0	462.506	2.814	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)Nc3nccs3)[C@@H]21	ZINC000217821867	569881752	/nfs/dbraw/zinc/88/17/52/569881752.db2.gz	UWNJMIKZTYMRBE-LJQANCHMSA-N	0	0	450.476	2.914	50	70	biogenic	JFIARN
COC(=O)C[C@H](c1cc(OC)c2c(c1)OCCO2)c1oc(CN2CCCCC2)cc(=O)c1O	ZINC000217835587	569881795	/nfs/dbraw/zinc/88/17/95/569881795.db2.gz	QHDHBMVSWIOJIO-QGZVFWFLSA-N	0	0	459.495	2.806	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCC(=O)c3ccccc3)[C@H]21	ZINC000217896037	569882036	/nfs/dbraw/zinc/88/20/36/569882036.db2.gz	CURBBBNJDYEFFL-VWLOTQADSA-N	0	0	485.496	2.818	50	70	biogenic	JFIARN
Cn1c2ccccc2cc([C@@H]2SCC(=O)Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c1=O	ZINC000218219037	569883018	/nfs/dbraw/zinc/88/30/18/569883018.db2.gz	BFYUGQNAMJZRFZ-KUHUBIRLSA-N	0	0	454.552	2.933	50	70		JFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCc1nnc2ccccn21	ZINC000217645022	569880842	/nfs/dbraw/zinc/88/08/42/569880842.db2.gz	LNOURKLZIJNQSV-DEOSSOPVSA-N	0	0	466.501	2.593	50	70	biogenic	JFIARN
COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)NC3CC3)c(=O)cc1[C@@H](NC(C)=O)CC2	ZINC000217727235	569881215	/nfs/dbraw/zinc/88/12/15/569881215.db2.gz	ZQLKYLWGZLLJRF-IBGZPJMESA-N	0	0	481.549	2.554	50	70	biogenic	JFIARN
O=C(CCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1nnc2ccccn21	ZINC000217793564	569881574	/nfs/dbraw/zinc/88/15/74/569881574.db2.gz	ZOHHWCFLHBUNIE-DEOSSOPVSA-N	0	0	466.501	2.941	50	70	biogenic	JFIARN
COc1ccc(CN2C(=O)N[C@@H](CCC(=O)N[C@@H](CCSC)c3nnc4ccccn43)C2=O)cc1	ZINC000218293585	569883248	/nfs/dbraw/zinc/88/32/48/569883248.db2.gz	FSEQSHOGWURRNV-OALUTQOASA-N	0	0	496.593	2.549	50	70		JFIARN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)NCCc1nnc2ccccn21	ZINC000217644935	569880769	/nfs/dbraw/zinc/88/07/69/569880769.db2.gz	LNOURKLZIJNQSV-XMMPIXPASA-N	0	0	466.501	2.593	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCC3CCOCC3)[C@H]21	ZINC000217637617	569880832	/nfs/dbraw/zinc/88/08/32/569880832.db2.gz	CYSOGWZAXXDBIL-DEOSSOPVSA-N	0	0	479.533	2.752	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@@H]3CCCO3)[C@H]21	ZINC000217856930	569881873	/nfs/dbraw/zinc/88/18/73/569881873.db2.gz	FPNIDMZXMYSHOX-WNSKOXEYSA-N	0	0	465.506	2.504	50	70	biogenic	JFIARN
COCc1cc(=O)c(O)c([C@H](CC(=O)N2CCc3c([nH]c4ccccc43)C2)c2cnn(C)c2)o1	ZINC000217921821	569882120	/nfs/dbraw/zinc/88/21/20/569882120.db2.gz	LFEZCHCQLAUCNF-LJQANCHMSA-N	0	0	462.506	2.814	50	70	biogenic	JFIARN
COC(=O)C[C@@H](c1ccc2c(c1)n(C)c(=O)n2C)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217928931	569882146	/nfs/dbraw/zinc/88/21/46/569882146.db2.gz	KRENPMSJCAWWCV-FQEVSTJZSA-N	0	0	491.544	2.696	50	70	biogenic	JFIARN
COc1ccc2c(ccn2CCNC(=O)Cn2c(C)nc3cc(OC)c(OC)cc3c2=O)c1	ZINC000217963973	569882302	/nfs/dbraw/zinc/88/23/02/569882302.db2.gz	ZWDVYXMNZQKXNX-UHFFFAOYSA-N	0	0	450.495	2.502	50	70	biogenic	JFIARN
COc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4cc(OC)c(OC)cc4C3)C2=O)cc1	ZINC000218090859	569882759	/nfs/dbraw/zinc/88/27/59/569882759.db2.gz	ADEIEFWIAVIHCE-IBGZPJMESA-N	0	0	453.495	2.502	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2n[nH]c(Cn3ccnc3)n2)c1	ZINC000218200012	569883012	/nfs/dbraw/zinc/88/30/12/569883012.db2.gz	GSCJXMKUTZTMHK-SFHVURJKSA-N	0	0	474.477	2.974	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2c(c1)CCCN2S(C)(=O)=O	ZINC000218272706	569883124	/nfs/dbraw/zinc/88/31/24/569883124.db2.gz	RIPGVXDFCGCBPC-GOSISDBHSA-N	0	0	460.508	2.656	50	70		JFIARN
COc1ccc(N2C(=O)N[C@@H](CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1	ZINC000218557051	569883444	/nfs/dbraw/zinc/88/34/44/569883444.db2.gz	YOVVUTWVFZXYCN-IBGZPJMESA-N	0	0	457.914	2.674	50	70		JFIARN
COC(=O)[C@H]1OC(C)(C)O[C@@H]1C(=O)C(C#N)=P(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000101083129	569781918	/nfs/dbraw/zinc/78/19/18/569781918.db2.gz	YKHKJDLJSRXRKT-FTJBHMTQSA-N	0	0	487.492	2.939	50	70		JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCc3ccccn3)[C@H]21	ZINC000217788568	569881583	/nfs/dbraw/zinc/88/15/83/569881583.db2.gz	FKCSSIYAWNDTCF-QHCPKHFHSA-N	0	0	458.474	2.530	50	70	biogenic	JFIARN
O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCCCc1nnc2ccccn21	ZINC000217799281	569881618	/nfs/dbraw/zinc/88/16/18/569881618.db2.gz	FJRFGKNOKFIMAZ-DEOSSOPVSA-N	0	0	466.501	2.593	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccco3)[C@H]21	ZINC000217824518	569881737	/nfs/dbraw/zinc/88/17/37/569881737.db2.gz	WTLHPIDWBKWZCV-QHCPKHFHSA-N	0	0	461.474	2.771	50	70	biogenic	JFIARN
COC(=O)CNC(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21	ZINC000217848497	569881841	/nfs/dbraw/zinc/88/18/41/569881841.db2.gz	NSMROUSVFYUDTE-DEOSSOPVSA-N	0	0	495.532	2.668	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3ccncc3)[C@@H]21	ZINC000217851038	569881867	/nfs/dbraw/zinc/88/18/67/569881867.db2.gz	YQHVAYNDYRSPCX-XMMPIXPASA-N	0	0	472.501	2.573	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NC[C@@H]3CCCO3)[C@@H]21	ZINC000217856998	569881940	/nfs/dbraw/zinc/88/19/40/569881940.db2.gz	FPNIDMZXMYSHOX-NPMXOYFQSA-N	0	0	465.506	2.504	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCC(=O)NCCCn3ccnc3)[C@@H]21	ZINC000217870873	569881955	/nfs/dbraw/zinc/88/19/55/569881955.db2.gz	JERCWRIBAHQFFK-XMMPIXPASA-N	0	0	489.532	2.612	50	70	biogenic	JFIARN
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CC(=O)NCCc3nc(C)cs3)[C@H]21	ZINC000217933276	569882119	/nfs/dbraw/zinc/88/21/19/569882119.db2.gz	JNXYOYFWDFZEFW-QHCPKHFHSA-N	0	0	492.557	2.942	50	70	biogenic	JFIARN