smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O	ZINC000217622594	569880689	/nfs/dbraw/zinc/88/06/89/569880689.db2.gz	QLCXHKOSWKMQBP-HNNXBMFYSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1	ZINC000217687777	569881011	/nfs/dbraw/zinc/88/10/11/569881011.db2.gz	VCCYQJCBEHWWRL-MRXNPFEDSA-N	-1	0	467.433	4.154	50	70	biogenic	JIIARM
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c(OC)c1OC	ZINC000217747071	569881355	/nfs/dbraw/zinc/88/13/55/569881355.db2.gz	UGQFGHKXUDNVQY-MRXNPFEDSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OCC(C)C	ZINC000217966607	569882291	/nfs/dbraw/zinc/88/22/91/569882291.db2.gz	OSQZTYXNWGHSBI-INIZCTEOSA-N	-1	0	466.486	4.494	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(OCc2ccccn2)cc1	ZINC000218040721	569882577	/nfs/dbraw/zinc/88/25/77/569882577.db2.gz	JTULWSQTKJMSTJ-LJQANCHMSA-N	-1	0	471.465	4.425	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2cc3ccccc3[nH]c2=O)CC(=O)O1	ZINC000217687696	569881052	/nfs/dbraw/zinc/88/10/52/569881052.db2.gz	VCCYQJCBEHWWRL-INIZCTEOSA-N	-1	0	467.433	4.154	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccnn2C(C)C)CC(=O)O4)cc1O	ZINC000217744715	569881324	/nfs/dbraw/zinc/88/13/24/569881324.db2.gz	NZAMEFUOMZWXMB-CQSZACIVSA-N	-1	0	462.458	4.098	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc3c(c2)OCCO3)CC(=O)O4)cc1O	ZINC000217788449	569881589	/nfs/dbraw/zinc/88/15/89/569881589.db2.gz	UYOIOOVEYVPSAE-HNNXBMFYSA-N	-1	0	488.448	4.092	50	70	biogenic	JIIARM
COc1cc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1OC	ZINC000217787451	569881631	/nfs/dbraw/zinc/88/16/31/569881631.db2.gz	YYHSHBAUXHJXMW-INIZCTEOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc2cc([C@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)cc6)oc5c43)c(=O)[nH]c2c1	ZINC000217795552	569881554	/nfs/dbraw/zinc/88/15/54/569881554.db2.gz	IEEHFKPKNKEALB-QGZVFWFLSA-N	-1	0	497.459	4.162	50	70	biogenic	JIIARM
COC(=O)C[C@H](c1ccc2c(c1)OCCO2)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000217599982	569880407	/nfs/dbraw/zinc/88/04/07/569880407.db2.gz	QBDKBEFGIFAVPT-LJQANCHMSA-N	-1	0	474.465	4.337	50	70	biogenic	JIIARM
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c(OC)c1	ZINC000217651078	569880845	/nfs/dbraw/zinc/88/08/45/569880845.db2.gz	YDTONIYSMNWWBC-INIZCTEOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
CC(C)C[C@H](NC(=O)COc1cc(O)c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1	ZINC000217781291	569881511	/nfs/dbraw/zinc/88/15/11/569881511.db2.gz	GWUSIXANMIBWOR-SFHVURJKSA-N	-1	0	451.523	4.295	50	70	biogenic	JIIARM
COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000217769509	569881526	/nfs/dbraw/zinc/88/15/26/569881526.db2.gz	LFPDBFOYTNNSDY-SFHVURJKSA-N	-1	0	462.454	4.280	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2coc3ccccc3c2=O)CC(=O)O1	ZINC000217917787	569882130	/nfs/dbraw/zinc/88/21/30/569882130.db2.gz	GRMSCFVHQIWYNM-MRXNPFEDSA-N	-1	0	468.417	4.419	50	70	biogenic	JIIARM
COc1ccc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1	ZINC000217731458	569881287	/nfs/dbraw/zinc/88/12/87/569881287.db2.gz	ILXBIICGMPHHQM-MRXNPFEDSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
O=C(C[C@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21)N1CCOCC1	ZINC000217990535	569882335	/nfs/dbraw/zinc/88/23/35/569882335.db2.gz	CIWFFMXNFQECFD-SFHVURJKSA-N	-1	0	470.481	4.047	50	70	biogenic	JIIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OC(C)C	ZINC000218035016	569882569	/nfs/dbraw/zinc/88/25/69/569882569.db2.gz	AADKDPAPLGSCSP-HNNXBMFYSA-N	-1	0	452.459	4.246	50	70	biogenic	JIIARM
COc1cccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c1OC	ZINC000217871650	569881963	/nfs/dbraw/zinc/88/19/63/569881963.db2.gz	LXGYXDTUWSPDSC-MRXNPFEDSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccc(OC)c2OC)CC(=O)O4)cc1O	ZINC000217622666	569880682	/nfs/dbraw/zinc/88/06/82/569880682.db2.gz	QLCXHKOSWKMQBP-OAHLLOKOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c(OC)c1	ZINC000217642980	569880819	/nfs/dbraw/zinc/88/08/19/569880819.db2.gz	BVQRTXHUXFHRKB-QGZVFWFLSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1	ZINC000217834758	569881869	/nfs/dbraw/zinc/88/18/69/569881869.db2.gz	JMLBFPNAYLDUAT-MRXNPFEDSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1cccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c1OCC(C)C	ZINC000217951733	569882227	/nfs/dbraw/zinc/88/22/27/569882227.db2.gz	IOXSAYIBQLDOQY-INIZCTEOSA-N	-1	0	466.486	4.494	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc(OC)c(O)c2)CC(=O)O4)cc1O	ZINC000217739150	569881298	/nfs/dbraw/zinc/88/12/98/569881298.db2.gz	LQFFDVSZOOZPSU-AWEZNQCLSA-N	-1	0	476.437	4.035	50	70	biogenic	JIIARM
COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000217769404	569881545	/nfs/dbraw/zinc/88/15/45/569881545.db2.gz	LFPDBFOYTNNSDY-GOSISDBHSA-N	-1	0	462.454	4.280	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc3c(c2)OCCO3)CC(=O)O4)cc1O	ZINC000217788365	569881614	/nfs/dbraw/zinc/88/16/14/569881614.db2.gz	UYOIOOVEYVPSAE-OAHLLOKOSA-N	-1	0	488.448	4.092	50	70	biogenic	JIIARM
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc2c1OCO2	ZINC000217751255	569881447	/nfs/dbraw/zinc/88/14/47/569881447.db2.gz	VZZNZHFMGMKKTL-OAHLLOKOSA-N	-1	0	474.421	4.050	50	70	biogenic	JIIARM
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)cc1	ZINC000217834683	569881858	/nfs/dbraw/zinc/88/18/58/569881858.db2.gz	JMLBFPNAYLDUAT-INIZCTEOSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccccc2OC)CC(=O)O4)cc1O	ZINC000217884730	569882008	/nfs/dbraw/zinc/88/20/08/569882008.db2.gz	TVIVWQBLCPZLMF-HNNXBMFYSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccccc1OCc1ccccn1	ZINC000218064619	569882634	/nfs/dbraw/zinc/88/26/34/569882634.db2.gz	UNRADRDIQFHHAI-SFHVURJKSA-N	-1	0	471.465	4.425	50	70	biogenic	JIIARM
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc2c1OCCO2	ZINC000217634413	569880834	/nfs/dbraw/zinc/88/08/34/569880834.db2.gz	UZUOVDQKMSPORX-INIZCTEOSA-N	-1	0	488.448	4.092	50	70	biogenic	JIIARM
COC(=O)c1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217737976	569881336	/nfs/dbraw/zinc/88/13/36/569881336.db2.gz	KXGWHUPEBWJYEJ-QGZVFWFLSA-N	-1	0	458.422	4.099	50	70	biogenic	JIIARM
COc1ccc2cc([C@@H]3CC(=O)Oc4cc([O-])c5c(=O)cc(-c6ccc(O)cc6)oc5c43)c(=O)[nH]c2c1	ZINC000217795485	569881609	/nfs/dbraw/zinc/88/16/09/569881609.db2.gz	IEEHFKPKNKEALB-KRWDZBQOSA-N	-1	0	497.459	4.162	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(OCc2ccccn2)cc1	ZINC000218040638	569882591	/nfs/dbraw/zinc/88/25/91/569882591.db2.gz	JTULWSQTKJMSTJ-IBGZPJMESA-N	-1	0	471.465	4.425	50	70	biogenic	JIIARM
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c(OC)c1OC	ZINC000217746988	569881391	/nfs/dbraw/zinc/88/13/91/569881391.db2.gz	UGQFGHKXUDNVQY-INIZCTEOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc2c1OCO2	ZINC000217751177	569881409	/nfs/dbraw/zinc/88/14/09/569881409.db2.gz	VZZNZHFMGMKKTL-HNNXBMFYSA-N	-1	0	474.421	4.050	50	70	biogenic	JIIARM
COC(=O)C[C@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c21	ZINC000217946039	569882190	/nfs/dbraw/zinc/88/21/90/569882190.db2.gz	WZSOLMZMGARQJL-AWEZNQCLSA-N	-1	0	461.426	4.076	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1coc2ccc(Cl)cc2c1=O	ZINC000218085287	569882738	/nfs/dbraw/zinc/88/27/38/569882738.db2.gz	PIRLCZLBJVMEPR-LBPRGKRZSA-N	-1	0	466.829	4.210	50	70	biogenic	JIIARM
COC(=O)C[C@@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217844995	569881828	/nfs/dbraw/zinc/88/18/28/569881828.db2.gz	DZBBJHJRXYPTBO-IBGZPJMESA-N	-1	0	477.513	4.173	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2ccccc2n(CC(C)C)c1=O	ZINC000218002156	569882391	/nfs/dbraw/zinc/88/23/91/569882391.db2.gz	ARRVPPITPBESFS-QGZVFWFLSA-N	-1	0	487.508	4.422	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2ccccc2n(CC(C)C)c1=O	ZINC000218002062	569882386	/nfs/dbraw/zinc/88/23/86/569882386.db2.gz	ARRVPPITPBESFS-KRWDZBQOSA-N	-1	0	487.508	4.422	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccccc2OC)CC(=O)O4)cc1O	ZINC000217884667	569882003	/nfs/dbraw/zinc/88/20/03/569882003.db2.gz	TVIVWQBLCPZLMF-OAHLLOKOSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2ccc3nccnc3c2)CC(=O)O1	ZINC000217746420	569881306	/nfs/dbraw/zinc/88/13/06/569881306.db2.gz	NEYYXKPNAHWOGY-INIZCTEOSA-N	-1	0	452.422	4.255	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@H](c2coc3ccccc3c2=O)CC(=O)O1	ZINC000217917714	569882153	/nfs/dbraw/zinc/88/21/53/569882153.db2.gz	GRMSCFVHQIWYNM-INIZCTEOSA-N	-1	0	468.417	4.419	50	70	biogenic	JIIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OC(C)C	ZINC000218035099	569882585	/nfs/dbraw/zinc/88/25/85/569882585.db2.gz	AADKDPAPLGSCSP-OAHLLOKOSA-N	-1	0	452.459	4.246	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccnn2C(C)C)CC(=O)O4)cc1O	ZINC000217744783	569881376	/nfs/dbraw/zinc/88/13/76/569881376.db2.gz	NZAMEFUOMZWXMB-AWEZNQCLSA-N	-1	0	462.458	4.098	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1coc2ccc(Cl)cc2c1=O	ZINC000218085377	569882700	/nfs/dbraw/zinc/88/27/00/569882700.db2.gz	PIRLCZLBJVMEPR-GFCCVEGCSA-N	-1	0	466.829	4.210	50	70	biogenic	JIIARM
O=c1cc(-c2ccc(O)cc2)oc2c1c([O-])cc1c2[C@@H](c2ccc3nccnc3c2)CC(=O)O1	ZINC000217746498	569881294	/nfs/dbraw/zinc/88/12/94/569881294.db2.gz	NEYYXKPNAHWOGY-MRXNPFEDSA-N	-1	0	452.422	4.255	50	70	biogenic	JIIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccccc1OCc1ccccn1	ZINC000218064707	569882672	/nfs/dbraw/zinc/88/26/72/569882672.db2.gz	UNRADRDIQFHHAI-GOSISDBHSA-N	-1	0	471.465	4.425	50	70	biogenic	JIIARM
COC(=O)c1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1	ZINC000217737907	569881315	/nfs/dbraw/zinc/88/13/15/569881315.db2.gz	KXGWHUPEBWJYEJ-KRWDZBQOSA-N	-1	0	458.422	4.099	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cc3ccccc3[nH]c2=O)CC(=O)O4)cc1O	ZINC000217740285	569881386	/nfs/dbraw/zinc/88/13/86/569881386.db2.gz	RJWWMHUGEIIBAS-HNNXBMFYSA-N	-1	0	497.459	4.162	50	70	biogenic	JIIARM
COc1cccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c1OC	ZINC000217871573	569881950	/nfs/dbraw/zinc/88/19/50/569881950.db2.gz	LXGYXDTUWSPDSC-INIZCTEOSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1ccc(OC)c([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1	ZINC000217731369	569881258	/nfs/dbraw/zinc/88/12/58/569881258.db2.gz	ILXBIICGMPHHQM-INIZCTEOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2coc3ccccc3c2=O)CC(=O)O4)cc1O	ZINC000217766792	569881397	/nfs/dbraw/zinc/88/13/97/569881397.db2.gz	TVSCJCVKEHIUMA-HNNXBMFYSA-N	-1	0	498.443	4.427	50	70	biogenic	JIIARM
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc2c1OCCO2	ZINC000217634487	569880785	/nfs/dbraw/zinc/88/07/85/569880785.db2.gz	UZUOVDQKMSPORX-MRXNPFEDSA-N	-1	0	488.448	4.092	50	70	biogenic	JIIARM
COC(=O)C[C@@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccc(OC)c(O)c4)oc3c21	ZINC000217945958	569882243	/nfs/dbraw/zinc/88/22/43/569882243.db2.gz	WZSOLMZMGARQJL-CQSZACIVSA-N	-1	0	461.426	4.076	50	70	biogenic	JIIARM
COc1cc(OC)c(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N(C)Cc2ccccc2)c1	ZINC000218454633	569883346	/nfs/dbraw/zinc/88/33/46/569883346.db2.gz	CQUQSZKZYRYQCJ-IBGZPJMESA-N	-1	0	454.552	4.052	50	70		JIIARM
COC(=O)C[C@@H](c1ccc2c(c1)OCCO2)c1c([O-])ccc2c(=O)c(-c3ccc(O)cc3)coc21	ZINC000217600066	569880424	/nfs/dbraw/zinc/88/04/24/569880424.db2.gz	QBDKBEFGIFAVPT-IBGZPJMESA-N	-1	0	474.465	4.337	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc(OC)c(O)c2)CC(=O)O4)cc1O	ZINC000217739065	569881365	/nfs/dbraw/zinc/88/13/65/569881365.db2.gz	LQFFDVSZOOZPSU-CQSZACIVSA-N	-1	0	476.437	4.035	50	70	biogenic	JIIARM
COc1cc(OC)c([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc1OC	ZINC000217787531	569881575	/nfs/dbraw/zinc/88/15/75/569881575.db2.gz	YYHSHBAUXHJXMW-MRXNPFEDSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cc3ccccc3[nH]c2=O)CC(=O)O4)cc1O	ZINC000217740199	569881381	/nfs/dbraw/zinc/88/13/81/569881381.db2.gz	RJWWMHUGEIIBAS-OAHLLOKOSA-N	-1	0	497.459	4.162	50	70	biogenic	JIIARM
O=C(C[C@@H]1c2cccnc2Oc2cc([O-])c3c(=O)cc(-c4ccccc4)oc3c21)N1CCOCC1	ZINC000217990434	569882367	/nfs/dbraw/zinc/88/23/67/569882367.db2.gz	CIWFFMXNFQECFD-GOSISDBHSA-N	-1	0	470.481	4.047	50	70	biogenic	JIIARM
COc1cccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c1OCC(C)C	ZINC000217951818	569882211	/nfs/dbraw/zinc/88/22/11/569882211.db2.gz	IOXSAYIBQLDOQY-MRXNPFEDSA-N	-1	0	466.486	4.494	50	70	biogenic	JIIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1OCC(C)C	ZINC000217966688	569882303	/nfs/dbraw/zinc/88/23/03/569882303.db2.gz	OSQZTYXNWGHSBI-MRXNPFEDSA-N	-1	0	466.486	4.494	50	70	biogenic	JIIARM
COc1ccc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c(OC)c1	ZINC000217651147	569880852	/nfs/dbraw/zinc/88/08/52/569880852.db2.gz	YDTONIYSMNWWBC-MRXNPFEDSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc(OC)cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1	ZINC000217655536	569880881	/nfs/dbraw/zinc/88/08/81/569880881.db2.gz	RIMCFYHIOYQSGX-QGZVFWFLSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc(OC)c(OC)c([C@H](c2sc3nc(C)nn3c2[O-])N(C)Cc2ccccc2)c1	ZINC000218454706	569883328	/nfs/dbraw/zinc/88/33/28/569883328.db2.gz	CQUQSZKZYRYQCJ-LJQANCHMSA-N	-1	0	454.552	4.052	50	70		JIIARM
COc1ccc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)c(OC)c1	ZINC000217642911	569880799	/nfs/dbraw/zinc/88/07/99/569880799.db2.gz	BVQRTXHUXFHRKB-KRWDZBQOSA-N	-1	0	460.438	4.329	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccc(OC)c(OC)c2)CC(=O)O4)cc1O	ZINC000217653750	569880860	/nfs/dbraw/zinc/88/08/60/569880860.db2.gz	UXBHVDDFJSUGFK-HNNXBMFYSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccc(OC)c(OC)c2)CC(=O)O4)cc1O	ZINC000217653672	569880931	/nfs/dbraw/zinc/88/09/31/569880931.db2.gz	UXBHVDDFJSUGFK-OAHLLOKOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2coc3ccccc3c2=O)CC(=O)O4)cc1O	ZINC000217766712	569881452	/nfs/dbraw/zinc/88/14/52/569881452.db2.gz	TVSCJCVKEHIUMA-OAHLLOKOSA-N	-1	0	498.443	4.427	50	70	biogenic	JIIARM
COC(=O)C[C@H](c1cc2cc(OC)ccc2n(CC(C)C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217844930	569881799	/nfs/dbraw/zinc/88/17/99/569881799.db2.gz	DZBBJHJRXYPTBO-LJQANCHMSA-N	-1	0	477.513	4.173	50	70	biogenic	JIIARM
COc1cc(OC)cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(OC)c(O)c5)oc4c32)c1	ZINC000217655456	569880896	/nfs/dbraw/zinc/88/08/96/569880896.db2.gz	RIMCFYHIOYQSGX-KRWDZBQOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc(OC)c1OC	ZINC000217872423	569881899	/nfs/dbraw/zinc/88/18/99/569881899.db2.gz	DUNZLANBLZFSHU-MRXNPFEDSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM
COc1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cc(OC)c1OC	ZINC000217872345	569881931	/nfs/dbraw/zinc/88/19/31/569881931.db2.gz	DUNZLANBLZFSHU-INIZCTEOSA-N	-1	0	490.464	4.338	50	70	biogenic	JIIARM