smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2c(c(Cl)c1)OCO2	ZINC000218102703	569456318	/nfs/dbraw/zinc/45/63/18/569456318.db2.gz	VFWZGQGBSIODJT-NSHDSACASA-N	0	1	442.807	3.833	50	70	biogenic	IHIAMN
COc1ccc(CCn2cc(C(=O)Nc3nc(C(C)C)n[nH]3)c3ccccc3c2=O)cc1	ZINC000218191979	557181598	/nfs/dbraw/zinc/18/15/98/557181598.db2.gz	WQLXESWDBBHHMG-UHFFFAOYSA-N	0	1	431.496	3.747	50	70		IHIAMN
COc1ccc(CCn2cc(C(=O)Nc3n[nH]c(C(C)C)n3)c3ccccc3c2=O)cc1	ZINC000218191979	557181601	/nfs/dbraw/zinc/18/16/01/557181601.db2.gz	WQLXESWDBBHHMG-UHFFFAOYSA-N	0	1	431.496	3.747	50	70		IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2ccc(C)cc2[nH]c1=O	ZINC000218001378	569455666	/nfs/dbraw/zinc/45/56/66/569455666.db2.gz	XKXAAGLMZAAYKZ-CQSZACIVSA-N	0	1	445.427	3.601	50	70	biogenic	IHIAMN
COC(=O)C[C@@H](c1cccc2cccnc21)c1c(O)c(C(C)=O)c(O)c2c(C)cc(=O)oc21	ZINC000218057867	569456171	/nfs/dbraw/zinc/45/61/71/569456171.db2.gz	UUOIHYRYCYTBTD-INIZCTEOSA-N	0	1	447.443	3.958	50	70	biogenic	IHIAMN
COc1ccc([C@H](c2sc3ncnn3c2[O-])[N@@H+](C)C2CCCCC2)c(OC)c1OC	ZINC000218486026	557202683	/nfs/dbraw/zinc/20/26/83/557202683.db2.gz	DTVJKSGJANEMOM-MRXNPFEDSA-N	0	1	432.546	3.876	50	70		IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1coc2ccc(C)cc2c1=O	ZINC000218049309	569147771	/nfs/dbraw/zinc/14/77/71/569147771.db2.gz	FFDJMDUKKGCXOU-ZDUSSCGKSA-N	0	1	446.411	3.865	50	70	biogenic	IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2cc(C)ccc2[nH]c1=O	ZINC000218021604	569455840	/nfs/dbraw/zinc/45/58/40/569455840.db2.gz	WXCUYSMADYYMCE-CQSZACIVSA-N	0	1	445.427	3.601	50	70	biogenic	IHIAMN
CC(C)Cc1nc2ccc(NC(=O)CC[C@@H]3NC(=O)N(Cc4ccccc4)C3=O)cc2[nH]1	ZINC000218206882	557182077	/nfs/dbraw/zinc/18/20/77/557182077.db2.gz	ARRFOOSHCCAQDO-IBGZPJMESA-N	0	1	433.512	3.601	50	70		IHIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711923	569452094	/nfs/dbraw/zinc/45/20/94/569452094.db2.gz	NXABUXOOADXNKF-AWEZNQCLSA-N	0	1	431.400	3.716	50	70	biogenic	IHIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712455	569452129	/nfs/dbraw/zinc/45/21/29/569452129.db2.gz	KENQLSDUAKPIRH-AWEZNQCLSA-N	0	1	431.400	3.716	50	70	biogenic	IHIAMN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccc2nc[nH]c2c1	ZINC000217932286	569455016	/nfs/dbraw/zinc/45/50/16/569455016.db2.gz	PGKUKIIEGSBSDK-QHCPKHFHSA-N	0	1	437.459	3.707	50	70	biogenic	IHIAMN
COC(=O)C[C@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(O)cc(C)oc1=O	ZINC000218089266	569456244	/nfs/dbraw/zinc/45/62/44/569456244.db2.gz	VWIZETZTAJLIPQ-HXUWFJFHSA-N	0	1	438.476	3.979	50	70	biogenic	IHIAMN
O=c1occ(CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c([O-])c1C[NH+]1CCCC1	ZINC000218217315	557182694	/nfs/dbraw/zinc/18/26/94/557182694.db2.gz	HRUFCKOFPPSRKN-UHFFFAOYSA-N	0	1	438.355	3.570	50	70		IHIAMN
O=c1cc(CN2CCCCCC2)oc(CN2CCN(C/C=C/c3ccccc3)CC2)c1O	ZINC000218321352	568741573	/nfs/dbraw/zinc/74/15/73/568741573.db2.gz	OOGUXAFLFCGUCM-DHZHZOJOSA-N	0	1	437.584	3.552	50	70		IHIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712366	569452140	/nfs/dbraw/zinc/45/21/40/569452140.db2.gz	KENQLSDUAKPIRH-CQSZACIVSA-N	0	1	431.400	3.716	50	70	biogenic	IHIAMN
COc1ccc(CCc2nc(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)n[nH]2)cc1	ZINC000218143601	557180100	/nfs/dbraw/zinc/18/01/00/557180100.db2.gz	VBUOGUVQTKKKNK-UHFFFAOYSA-N	0	1	431.496	3.747	50	70		IHIAMN
COc1ccc(CCc2n[nH]c(NC(=O)c3cn(C(C)C)c(=O)c4ccccc34)n2)cc1	ZINC000218143601	557180102	/nfs/dbraw/zinc/18/01/02/557180102.db2.gz	VBUOGUVQTKKKNK-UHFFFAOYSA-N	0	1	431.496	3.747	50	70		IHIAMN
COC(=O)C[C@H](c1cccc2cccnc21)c1c(O)c(C(C)=O)c(O)c2c(C)cc(=O)oc21	ZINC000218057803	569456167	/nfs/dbraw/zinc/45/61/67/569456167.db2.gz	UUOIHYRYCYTBTD-MRXNPFEDSA-N	0	1	447.443	3.958	50	70	biogenic	IHIAMN
COc1ccc([C@@H](c2sc3ncnn3c2[O-])[N@@H+](C)C2CCCCC2)c(OC)c1OC	ZINC000218485956	557202578	/nfs/dbraw/zinc/20/25/78/557202578.db2.gz	DTVJKSGJANEMOM-INIZCTEOSA-N	0	1	432.546	3.876	50	70		IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2ccc(C)cc2[nH]c1=O	ZINC000218001284	569455698	/nfs/dbraw/zinc/45/56/98/569455698.db2.gz	XKXAAGLMZAAYKZ-AWEZNQCLSA-N	0	1	445.427	3.601	50	70	biogenic	IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2c(c(Cl)c1)OCO2	ZINC000218102780	569456311	/nfs/dbraw/zinc/45/63/11/569456311.db2.gz	VFWZGQGBSIODJT-LLVKDONJSA-N	0	1	442.807	3.833	50	70	biogenic	IHIAMN
COC(=O)C[C@@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(O)cc(C)oc1=O	ZINC000218089344	569456248	/nfs/dbraw/zinc/45/62/48/569456248.db2.gz	VWIZETZTAJLIPQ-FQEVSTJZSA-N	0	1	438.476	3.979	50	70	biogenic	IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1coc2ccc(C)cc2c1=O	ZINC000218049407	569147781	/nfs/dbraw/zinc/14/77/81/569147781.db2.gz	FFDJMDUKKGCXOU-CYBMUJFWSA-N	0	1	446.411	3.865	50	70	biogenic	IHIAMN
O=C(CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccc2nc[nH]c2c1	ZINC000217932203	569455061	/nfs/dbraw/zinc/45/50/61/569455061.db2.gz	PGKUKIIEGSBSDK-HSZRJFAPSA-N	0	1	437.459	3.707	50	70	biogenic	IHIAMN
CC(=O)c1c(O)c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2cc(C)ccc2[nH]c1=O	ZINC000218021528	569455858	/nfs/dbraw/zinc/45/58/58/569455858.db2.gz	WXCUYSMADYYMCE-AWEZNQCLSA-N	0	1	445.427	3.601	50	70	biogenic	IHIAMN
COc1ccc(-c2cc(O)c3c(=O)cc4c(c-3o2)[C@@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711847	569452114	/nfs/dbraw/zinc/45/21/14/569452114.db2.gz	NXABUXOOADXNKF-CQSZACIVSA-N	0	1	431.400	3.716	50	70	biogenic	IHIAMN