smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536345	552464172	/nfs/dbraw/zinc/46/41/72/552464172.db2.gz	MXLWQNCWIIZUQT-PHIMTYICSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536345	552464170	/nfs/dbraw/zinc/46/41/70/552464170.db2.gz	MXLWQNCWIIZUQT-PHIMTYICSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000004536345	552464168	/nfs/dbraw/zinc/46/41/68/552464168.db2.gz	MXLWQNCWIIZUQT-PHIMTYICSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536345	552464166	/nfs/dbraw/zinc/46/41/66/552464166.db2.gz	MXLWQNCWIIZUQT-PHIMTYICSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536350	552464145	/nfs/dbraw/zinc/46/41/45/552464145.db2.gz	MXLWQNCWIIZUQT-GHMZBOCLSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536350	552464143	/nfs/dbraw/zinc/46/41/43/552464143.db2.gz	MXLWQNCWIIZUQT-GHMZBOCLSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536350	552464140	/nfs/dbraw/zinc/46/41/40/552464140.db2.gz	MXLWQNCWIIZUQT-GHMZBOCLSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100397674	554371539	/nfs/dbraw/zinc/37/15/39/554371539.db2.gz	MXLWQNCWIIZUQT-QWRGUYRKSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100397674	554371536	/nfs/dbraw/zinc/37/15/36/554371536.db2.gz	MXLWQNCWIIZUQT-QWRGUYRKSA-N	-2	3	534.517	2.899	40	5		KFBBHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100397674	554371532	/nfs/dbraw/zinc/37/15/32/554371532.db2.gz	MXLWQNCWIIZUQT-QWRGUYRKSA-N	-2	3	534.517	2.899	40	5		KFBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000101579966	554799808	/nfs/dbraw/zinc/79/98/08/554799808.db2.gz	YYTFYGXYAYLOAF-ACEGTKJHSA-N	-2	3	545.957	2.780	40	5		KFBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000101579973	554799796	/nfs/dbraw/zinc/79/97/96/554799796.db2.gz	YYTFYGXYAYLOAF-CYEGBWLXSA-N	-2	3	545.957	2.780	40	5		KFBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000101601999	554804367	/nfs/dbraw/zinc/80/43/67/554804367.db2.gz	HIXVBRFUDSGWCL-UIHGZKEASA-N	-2	3	575.983	2.788	40	5		KFBBHL
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc(OC)c([O-])c([N+](=O)[O-])c3)c(=O)n2[C@H]1c1cc(Cl)c([O-])c(OC)c1	ZINC000101602005	554804336	/nfs/dbraw/zinc/80/43/36/554804336.db2.gz	HIXVBRFUDSGWCL-DMGNWNAPSA-N	-2	3	575.983	2.788	40	5		KFBBHL
O=c1nc(C=Cc2cc(I)cc(I)c2[O-])c([N+](=O)[O-])c([O-])[n-]1	ZINC000104926835	571388002	/nfs/dbraw/zinc/38/80/02/571388002.db2.gz	CFVAWKCMSDPGRU-OWOJBTEDSA-N	-3	3	527.012	2.881	40	5		KFBBHL
O=c1[n-]c(C=Cc2cc(I)c([O-])c(I)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352051	1059728846	/nfs/dbraw/zinc/72/88/46/1059728846.db2.gz	VWJHXPYHHBOWCB-UPHRSURJSA-N	-3	3	527.012	2.881	40	5		KFBBHL