smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc([C@@H](c2sc3ncnn3c2[O-])N(C)Cc2ccccc2)c(OC)c1OC	ZINC000218558168	557207412	/nfs/dbraw/zinc/20/74/12/557207412.db2.gz	SOLKAWVJYSMFJX-KRWDZBQOSA-N	-1	0	440.525	3.744	50	70		IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2c(c(Cl)c1)OCO2	ZINC000218102703	569456317	/nfs/dbraw/zinc/45/63/17/569456317.db2.gz	VFWZGQGBSIODJT-NSHDSACASA-N	-1	0	442.807	3.833	50	70	biogenic	IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2ccc(C)cc2[nH]c1=O	ZINC000218001378	569455665	/nfs/dbraw/zinc/45/56/65/569455665.db2.gz	XKXAAGLMZAAYKZ-CQSZACIVSA-N	-1	0	445.427	3.601	50	70	biogenic	IHIARM
COC(=O)C[C@@H](c1cccc2cccnc21)c1c(O)c(C(C)=O)c([O-])c2c(C)cc(=O)oc21	ZINC000218057867	569456170	/nfs/dbraw/zinc/45/61/70/569456170.db2.gz	UUOIHYRYCYTBTD-INIZCTEOSA-N	-1	0	447.443	3.958	50	70	biogenic	IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1coc2ccc(C)cc2c1=O	ZINC000218049309	569147770	/nfs/dbraw/zinc/14/77/70/569147770.db2.gz	FFDJMDUKKGCXOU-ZDUSSCGKSA-N	-1	0	446.411	3.865	50	70	biogenic	IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2cc(C)ccc2[nH]c1=O	ZINC000218021604	569455839	/nfs/dbraw/zinc/45/58/39/569455839.db2.gz	WXCUYSMADYYMCE-CQSZACIVSA-N	-1	0	445.427	3.601	50	70	biogenic	IHIARM
COc1nccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1	ZINC000217461549	569446308	/nfs/dbraw/zinc/44/63/08/569446308.db2.gz	NKLIQZHUWASQEJ-UHFFFAOYSA-N	-1	0	440.525	3.836	50	70		IHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711923	569452092	/nfs/dbraw/zinc/45/20/92/569452092.db2.gz	NXABUXOOADXNKF-AWEZNQCLSA-N	-1	0	431.400	3.716	50	70	biogenic	IHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712455	569452127	/nfs/dbraw/zinc/45/21/27/569452127.db2.gz	KENQLSDUAKPIRH-AWEZNQCLSA-N	-1	0	431.400	3.716	50	70	biogenic	IHIARM
COC(=O)C[C@H](c1ccccc1OCCc1ccc(OC)cc1)c1c([O-])cc(C)oc1=O	ZINC000218089266	569456243	/nfs/dbraw/zinc/45/62/43/569456243.db2.gz	VWIZETZTAJLIPQ-HXUWFJFHSA-N	-1	0	438.476	3.979	50	70	biogenic	IHIARM
Cc1nc2sc([C@H](c3ccsc3)N3CCN(C(=O)OC(C)(C)C)CC3)c([O-])n2n1	ZINC000218435156	557199277	/nfs/dbraw/zinc/19/92/77/557199277.db2.gz	YBNVAXFKUJFICK-AWEZNQCLSA-N	-1	0	435.575	3.508	50	70		IHIARM
CSc1ccccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC000217974780	569455496	/nfs/dbraw/zinc/45/54/96/569455496.db2.gz	JLGNQJYLLHUGJP-UHFFFAOYSA-N	-1	0	426.527	3.630	50	70		IHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712366	569452138	/nfs/dbraw/zinc/45/21/38/569452138.db2.gz	KENQLSDUAKPIRH-CQSZACIVSA-N	-1	0	431.400	3.716	50	70	biogenic	IHIARM
O=S(=O)([N-]c1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(Cl)ccc1Cl	ZINC000218299767	568741419	/nfs/dbraw/zinc/74/14/19/568741419.db2.gz	QHCKWAXNNKYVDZ-CQSZACIVSA-N	-1	0	440.308	3.831	50	70		IHIARM
COC(=O)C[C@H](c1cccc2cccnc21)c1c(O)c(C(C)=O)c([O-])c2c(C)cc(=O)oc21	ZINC000218057803	569456166	/nfs/dbraw/zinc/45/61/66/569456166.db2.gz	UUOIHYRYCYTBTD-MRXNPFEDSA-N	-1	0	447.443	3.958	50	70	biogenic	IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2ccc(C)cc2[nH]c1=O	ZINC000218001284	569455697	/nfs/dbraw/zinc/45/56/97/569455697.db2.gz	XKXAAGLMZAAYKZ-AWEZNQCLSA-N	-1	0	445.427	3.601	50	70	biogenic	IHIARM
Cc1nc2sc([C@@H](c3ccsc3)N3CCN(C(=O)OC(C)(C)C)CC3)c([O-])n2n1	ZINC000218435066	557199312	/nfs/dbraw/zinc/19/93/12/557199312.db2.gz	YBNVAXFKUJFICK-CQSZACIVSA-N	-1	0	435.575	3.508	50	70		IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1cc2c(c(Cl)c1)OCO2	ZINC000218102780	569456310	/nfs/dbraw/zinc/45/63/10/569456310.db2.gz	VFWZGQGBSIODJT-LLVKDONJSA-N	-1	0	442.807	3.833	50	70	biogenic	IHIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cn1	ZINC000217975319	569455475	/nfs/dbraw/zinc/45/54/75/569455475.db2.gz	RXTMGPIOSZZZAT-UHFFFAOYSA-N	-1	0	432.868	3.700	50	70		IHIARM
COC(=O)C[C@@H](c1ccccc1OCCc1ccc(OC)cc1)c1c([O-])cc(C)oc1=O	ZINC000218089344	569456247	/nfs/dbraw/zinc/45/62/47/569456247.db2.gz	VWIZETZTAJLIPQ-FQEVSTJZSA-N	-1	0	438.476	3.979	50	70	biogenic	IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1coc2ccc(C)cc2c1=O	ZINC000218049407	569147779	/nfs/dbraw/zinc/14/77/79/569147779.db2.gz	FFDJMDUKKGCXOU-CYBMUJFWSA-N	-1	0	446.411	3.865	50	70	biogenic	IHIARM
O=S(=O)([N-]c1cnn(C[C@H]2COc3ccccc3O2)c1)c1cc(Cl)ccc1Cl	ZINC000218299716	568741472	/nfs/dbraw/zinc/74/14/72/568741472.db2.gz	QHCKWAXNNKYVDZ-AWEZNQCLSA-N	-1	0	440.308	3.831	50	70		IHIARM
COc1ccc([C@H](c2sc3ncnn3c2[O-])N(C)Cc2ccccc2)c(OC)c1OC	ZINC000218558257	557207272	/nfs/dbraw/zinc/20/72/72/557207272.db2.gz	SOLKAWVJYSMFJX-QGZVFWFLSA-N	-1	0	440.525	3.744	50	70		IHIARM
Cn1cc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(OC(F)F)c2)cn1	ZINC000217976423	569455545	/nfs/dbraw/zinc/45/55/45/569455545.db2.gz	OPMXGUODYNWMSZ-UHFFFAOYSA-N	-1	0	446.439	3.509	50	70		IHIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1cc2cc(C)ccc2[nH]c1=O	ZINC000218021528	569455857	/nfs/dbraw/zinc/45/58/57/569455857.db2.gz	WXCUYSMADYYMCE-AWEZNQCLSA-N	-1	0	445.427	3.601	50	70	biogenic	IHIARM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711847	569452112	/nfs/dbraw/zinc/45/21/12/569452112.db2.gz	NXABUXOOADXNKF-CQSZACIVSA-N	-1	0	431.400	3.716	50	70	biogenic	IHIARM
Cc1c(Cl)cccc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1cnn(C)c1	ZINC000217975640	569455532	/nfs/dbraw/zinc/45/55/32/569455532.db2.gz	SJONBYQMQQTXNE-UHFFFAOYSA-N	-1	0	428.905	3.870	50	70		IHIARM