smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2sc([C@@H](c3ccccc3)N3CCN(c4ccccn4)CC3)c([O-])n2n1	ZINC000218121329	568475228	/nfs/dbraw/zinc/47/52/28/568475228.db2.gz	SGDVYDBLHKMJJB-GOSISDBHSA-N	-1	0	406.515	3.111	50	70		HGIARM
COc1cc(OC)c(OC)c([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c1	ZINC000218523398	568481472	/nfs/dbraw/zinc/48/14/72/568481472.db2.gz	ZWHDUKRKPJOTGH-HNNXBMFYSA-N	-1	0	404.492	3.016	50	70		HGIARM
COC(=O)C[C@@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217915742	568919565	/nfs/dbraw/zinc/91/95/65/568919565.db2.gz	WAMVQLUQOOANRC-HNNXBMFYSA-N	-1	0	421.405	3.044	50	70	biogenic	HGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2c(c1)OCO2	ZINC000218003117	568922660	/nfs/dbraw/zinc/92/26/60/568922660.db2.gz	JMWFBLNOMJGIIY-GFCCVEGCSA-N	-1	0	408.362	3.179	50	70	biogenic	HGIARM
CC(=O)c1cccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2cnn(C)c2)c1	ZINC000217974999	568921865	/nfs/dbraw/zinc/92/18/65/568921865.db2.gz	RTXSBPQRMOUZBH-UHFFFAOYSA-N	-1	0	422.470	3.110	50	70		HGIARM
COc1cc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1O	ZINC000217913869	568919588	/nfs/dbraw/zinc/91/95/88/568919588.db2.gz	XLIGJQREVYPGDE-GFCCVEGCSA-N	-1	0	410.378	3.165	50	70	biogenic	HGIARM
COC(=O)C[C@H](c1cc2ccc(OC)cc2[nH]c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217915645	568919550	/nfs/dbraw/zinc/91/95/50/568919550.db2.gz	WAMVQLUQOOANRC-OAHLLOKOSA-N	-1	0	421.405	3.044	50	70	biogenic	HGIARM
COC(=O)C[C@@H](c1cc(OC)c(OC)cc1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217932097	568920370	/nfs/dbraw/zinc/92/03/70/568920370.db2.gz	HETIVHCNRGVMJR-AWEZNQCLSA-N	-1	0	414.410	3.219	50	70	biogenic	HGIARM
Cn1nccc1[C@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217649875	568901518	/nfs/dbraw/zinc/90/15/18/568901518.db2.gz	ZTPUNKYCEWNKSN-CYBMUJFWSA-N	-1	0	404.378	3.046	50	70	biogenic	HGIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2NCCC2=CCCCC2)cn1	ZINC000217973884	568921824	/nfs/dbraw/zinc/92/18/24/568921824.db2.gz	ZQYPKRFOFVYOFZ-UHFFFAOYSA-N	-1	0	412.519	3.467	50	70		HGIARM
COC(=O)C[C@H](c1cc2cccc3c2n(c1=O)CC3)c1c([O-])c2ccccc2oc1=O	ZINC000217750939	568909559	/nfs/dbraw/zinc/90/95/59/568909559.db2.gz	PYFMCGCZXCSFAQ-MRXNPFEDSA-N	-1	0	417.417	3.065	50	70	biogenic	HGIARM
COc1cc(OC)c(OC)c([C@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c1	ZINC000218523484	568481536	/nfs/dbraw/zinc/48/15/36/568481536.db2.gz	ZWHDUKRKPJOTGH-OAHLLOKOSA-N	-1	0	404.492	3.016	50	70		HGIARM
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1O	ZINC000218089174	568925271	/nfs/dbraw/zinc/92/52/71/568925271.db2.gz	HXQNIRXYYDFRHW-GFCCVEGCSA-N	-1	0	410.378	3.165	50	70	biogenic	HGIARM
Cc1nc2sc([C@H](c3ccccc3)N3CCN(c4ccccn4)CC3)c([O-])n2n1	ZINC000218121406	568475211	/nfs/dbraw/zinc/47/52/11/568475211.db2.gz	SGDVYDBLHKMJJB-SFHVURJKSA-N	-1	0	406.515	3.111	50	70		HGIARM
COC(=O)C[C@H](c1cc2ccccc2n(C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217720424	568907865	/nfs/dbraw/zinc/90/78/65/568907865.db2.gz	UVFOGDWLDLRAEE-OAHLLOKOSA-N	-1	0	405.406	3.046	50	70	biogenic	HGIARM
COC(=O)c1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000218092633	568925499	/nfs/dbraw/zinc/92/54/99/568925499.db2.gz	KTISUMUOKZYGQQ-CQSZACIVSA-N	-1	0	422.389	3.237	50	70	biogenic	HGIARM
Cn1cc([C@@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1	ZINC000217871370	568916932	/nfs/dbraw/zinc/91/69/32/568916932.db2.gz	VLQPPEJFZRJGAU-AWEZNQCLSA-N	-1	0	404.378	3.046	50	70	biogenic	HGIARM
COc1cc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)ccc1O	ZINC000217913797	568919639	/nfs/dbraw/zinc/91/96/39/568919639.db2.gz	XLIGJQREVYPGDE-LBPRGKRZSA-N	-1	0	410.378	3.165	50	70	biogenic	HGIARM
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c(OC)c1	ZINC000218043864	568924799	/nfs/dbraw/zinc/92/47/99/568924799.db2.gz	UZLGKQJHJWWPCE-CQSZACIVSA-N	-1	0	424.405	3.468	50	70	biogenic	HGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2c(c1)OCCO2	ZINC000218126732	568926383	/nfs/dbraw/zinc/92/63/83/568926383.db2.gz	ARUNWUBYLCCPTP-ZDUSSCGKSA-N	-1	0	422.389	3.222	50	70	biogenic	HGIARM
CC(C)(C)OC(=O)N1CCN([C@H](c2ccsc2)c2sc3ncnn3c2[O-])CC1	ZINC000218551820	568481765	/nfs/dbraw/zinc/48/17/65/568481765.db2.gz	ANQIUZRTSDZSBR-CYBMUJFWSA-N	-1	0	421.548	3.200	50	70		HGIARM
COC(=O)C[C@H](c1ccc(OC)c(OC)c1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217929244	568920215	/nfs/dbraw/zinc/92/02/15/568920215.db2.gz	AIILWHFXPZFAFE-CQSZACIVSA-N	-1	0	414.410	3.219	50	70	biogenic	HGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc2c(c1)OCO2	ZINC000218003030	568922619	/nfs/dbraw/zinc/92/26/19/568922619.db2.gz	JMWFBLNOMJGIIY-LBPRGKRZSA-N	-1	0	408.362	3.179	50	70	biogenic	HGIARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)c(OC)c1OC	ZINC000218357226	568479068	/nfs/dbraw/zinc/47/90/68/568479068.db2.gz	KKQUQECPIFGRAH-HNNXBMFYSA-N	-1	0	418.519	3.406	50	70		HGIARM
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217925159	568919935	/nfs/dbraw/zinc/91/99/35/568919935.db2.gz	NIUNGLZRBXXNHI-CYBMUJFWSA-N	-1	0	424.405	3.468	50	70	biogenic	HGIARM
COC(=O)C[C@@H](c1cc2cccc3c2n(c1=O)CC3)c1c([O-])c2ccccc2oc1=O	ZINC000217750855	568909500	/nfs/dbraw/zinc/90/95/00/568909500.db2.gz	PYFMCGCZXCSFAQ-INIZCTEOSA-N	-1	0	417.417	3.065	50	70	biogenic	HGIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc2c(c1)OCCO2	ZINC000218126820	568926300	/nfs/dbraw/zinc/92/63/00/568926300.db2.gz	ARUNWUBYLCCPTP-CYBMUJFWSA-N	-1	0	422.389	3.222	50	70	biogenic	HGIARM
Cn1nccc1[C@@H]1CC(=O)Oc2cc([O-])c3c(=O)cc(-c4ccc(O)cc4)oc3c21	ZINC000217649786	568901678	/nfs/dbraw/zinc/90/16/78/568901678.db2.gz	ZTPUNKYCEWNKSN-ZDUSSCGKSA-N	-1	0	404.378	3.046	50	70	biogenic	HGIARM
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccsc1-c1nc(C2CC2)no1	ZINC000217286903	568868546	/nfs/dbraw/zinc/86/85/46/568868546.db2.gz	JSURXOUKBLKUFW-UHFFFAOYSA-N	-1	0	411.486	3.324	50	70		HGIARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCCC2)c(OC)c1OC	ZINC000218357291	568479040	/nfs/dbraw/zinc/47/90/40/568479040.db2.gz	KKQUQECPIFGRAH-OAHLLOKOSA-N	-1	0	418.519	3.406	50	70		HGIARM
COc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c(OC)c1OC	ZINC000218240324	568928705	/nfs/dbraw/zinc/92/87/05/568928705.db2.gz	PEYHHXXCZGKCMT-CQSZACIVSA-N	-1	0	404.492	3.016	50	70		HGIARM
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1OC	ZINC000217925062	568919924	/nfs/dbraw/zinc/91/99/24/568919924.db2.gz	NIUNGLZRBXXNHI-ZDUSSCGKSA-N	-1	0	424.405	3.468	50	70	biogenic	HGIARM
COC(=O)C[C@@H](c1ccc(OC)c(OC)c1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217929342	569068277	/nfs/dbraw/zinc/06/82/77/569068277.db2.gz	AIILWHFXPZFAFE-AWEZNQCLSA-N	-1	0	414.410	3.219	50	70	biogenic	HGIARM
Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000218525524	568880549	/nfs/dbraw/zinc/88/05/49/568880549.db2.gz	MXIVCCIFWZZLEA-CQSZACIVSA-N	-1	0	419.507	3.040	50	70		HGIARM
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c(OC)c1	ZINC000218043789	568924738	/nfs/dbraw/zinc/92/47/38/568924738.db2.gz	UZLGKQJHJWWPCE-AWEZNQCLSA-N	-1	0	424.405	3.468	50	70	biogenic	HGIARM
CC(C)(C)OC(=O)N1CCN([C@@H](c2ccsc2)c2sc3ncnn3c2[O-])CC1	ZINC000218551893	568481778	/nfs/dbraw/zinc/48/17/78/568481778.db2.gz	ANQIUZRTSDZSBR-ZDUSSCGKSA-N	-1	0	421.548	3.200	50	70		HGIARM
Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C(=O)OC(C)(C)C)CC2)o1	ZINC000218525602	568880478	/nfs/dbraw/zinc/88/04/78/568880478.db2.gz	MXIVCCIFWZZLEA-AWEZNQCLSA-N	-1	0	419.507	3.040	50	70		HGIARM
COC(=O)C[C@@H](c1cc2ccccc2n(C)c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217720342	568907851	/nfs/dbraw/zinc/90/78/51/568907851.db2.gz	UVFOGDWLDLRAEE-HNNXBMFYSA-N	-1	0	405.406	3.046	50	70	biogenic	HGIARM
O=S(=O)([N-]c1cnn(CC2CCOCC2)c1)c1ccc(OC(F)(F)F)cc1	ZINC000218243047	568928686	/nfs/dbraw/zinc/92/86/86/568928686.db2.gz	SULCLMKLMRTURV-UHFFFAOYSA-N	-1	0	405.398	3.009	50	70		HGIARM
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1O	ZINC000218089103	568925370	/nfs/dbraw/zinc/92/53/70/568925370.db2.gz	HXQNIRXYYDFRHW-LBPRGKRZSA-N	-1	0	410.378	3.165	50	70	biogenic	HGIARM
COC(=O)C[C@@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217656633	568903397	/nfs/dbraw/zinc/90/33/97/568903397.db2.gz	RWKONMHUVNXHLZ-AWEZNQCLSA-N	-1	0	422.389	3.309	50	70	biogenic	HGIARM
Cn1cc([C@H]2CC(=O)Oc3cc([O-])c4c(=O)cc(-c5ccc(O)cc5)oc4c32)cn1	ZINC000217871430	568916796	/nfs/dbraw/zinc/91/67/96/568916796.db2.gz	VLQPPEJFZRJGAU-CQSZACIVSA-N	-1	0	404.378	3.046	50	70	biogenic	HGIARM
COC(=O)C[C@H](c1cc(OC)c(OC)cc1OC)c1c([O-])c2ccccc2oc1=O	ZINC000217932017	568920368	/nfs/dbraw/zinc/92/03/68/568920368.db2.gz	HETIVHCNRGVMJR-CQSZACIVSA-N	-1	0	414.410	3.219	50	70	biogenic	HGIARM
COC(=O)C[C@H](c1coc2ccc(OC)cc2c1=O)c1c([O-])c2ccccc2oc1=O	ZINC000217656567	568903369	/nfs/dbraw/zinc/90/33/69/568903369.db2.gz	RWKONMHUVNXHLZ-CQSZACIVSA-N	-1	0	422.389	3.309	50	70	biogenic	HGIARM
COC(=O)c1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)cc1	ZINC000218092570	568925615	/nfs/dbraw/zinc/92/56/15/568925615.db2.gz	KTISUMUOKZYGQQ-AWEZNQCLSA-N	-1	0	422.389	3.237	50	70	biogenic	HGIARM
COc1ccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c(OC)c1OC	ZINC000218240250	568928751	/nfs/dbraw/zinc/92/87/51/568928751.db2.gz	PEYHHXXCZGKCMT-AWEZNQCLSA-N	-1	0	404.492	3.016	50	70		HGIARM