smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C[C@@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217606923	569880498	/nfs/dbraw/zinc/88/04/98/569880498.db2.gz	IJXDSVOIVZSFMK-SFHVURJKSA-N	-1	1	457.910	3.865	50	70	biogenic	JHIAMM
COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cc(OC)c(O)c(OC)c1	ZINC000217831626	569881763	/nfs/dbraw/zinc/88/17/63/569881763.db2.gz	DHHASSSNGXCXEC-SFHVURJKSA-N	-1	1	496.560	3.815	50	70	biogenic	JHIAMM
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc2c(c(OC)c1)OCO2	ZINC000217653434	569880902	/nfs/dbraw/zinc/88/09/02/569880902.db2.gz	WSDVFLQAOJDJSU-SFHVURJKSA-N	-1	1	494.544	3.830	50	70	biogenic	JHIAMM
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c(O)cc(C)n(CCc2ccc(O)cc2)c1=O	ZINC000217606844	569880504	/nfs/dbraw/zinc/88/05/04/569880504.db2.gz	IJXDSVOIVZSFMK-GOSISDBHSA-N	-1	1	457.910	3.865	50	70	biogenic	JHIAMM
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc2ccccc2[nH]c1=O	ZINC000217856762	569881898	/nfs/dbraw/zinc/88/18/98/569881898.db2.gz	NBKWJLHZENGXDA-IBGZPJMESA-N	-1	1	487.556	3.934	50	70	biogenic	JHIAMM
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc2c(c1)OCO2	ZINC000217860726	569881930	/nfs/dbraw/zinc/88/19/30/569881930.db2.gz	AGUSGTUWHSBTPE-GOSISDBHSA-N	-1	1	464.518	3.821	50	70	biogenic	JHIAMM
COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cc(OC)c(O)c(OC)c1	ZINC000217831548	569881765	/nfs/dbraw/zinc/88/17/65/569881765.db2.gz	DHHASSSNGXCXEC-GOSISDBHSA-N	-1	1	496.560	3.815	50	70	biogenic	JHIAMM
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccc2c(c1)OCO2	ZINC000217860793	569881911	/nfs/dbraw/zinc/88/19/11/569881911.db2.gz	AGUSGTUWHSBTPE-SFHVURJKSA-N	-1	1	464.518	3.821	50	70	biogenic	JHIAMM
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc2ccccc2[nH]c1=O	ZINC000217856835	569881942	/nfs/dbraw/zinc/88/19/42/569881942.db2.gz	NBKWJLHZENGXDA-LJQANCHMSA-N	-1	1	487.556	3.934	50	70	biogenic	JHIAMM
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1cc2c(c(OC)c1)OCO2	ZINC000217653356	569880876	/nfs/dbraw/zinc/88/08/76/569880876.db2.gz	WSDVFLQAOJDJSU-GOSISDBHSA-N	-1	1	494.544	3.830	50	70	biogenic	JHIAMM