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@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc([O-])c-3c(=O)c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034499029	560087229	/nfs/dbraw/zinc/08/72/29/560087229.db2.gz	AOWRAYJMTOYETH-SXFAUFNYSA-N	-1	1	460.391	0.231	40	10	biogenic,in-vitro	JCCBMM
COC(=O)[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000034499029	560087227	/nfs/dbraw/zinc/08/72/27/560087227.db2.gz	AOWRAYJMTOYETH-SXFAUFNYSA-N	-1	1	460.391	0.231	40	10	biogenic,in-vitro	JCCBMM
NC(=O)COc1c(Br)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1Br	ZINC000409218806	570173688	/nfs/dbraw/zinc/17/36/88/570173688.db2.gz	HFXAQMQNYQBCOX-UHFFFAOYSA-N	-1	1	463.107	0.990	40	10		JCCBMM
CCOc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(N)=O	ZINC000409225123	570175736	/nfs/dbraw/zinc/17/57/36/570175736.db2.gz	PCUBJMKKXJPZRS-UHFFFAOYSA-N	-1	1	459.196	0.303	40	10		JCCBMM
CCOc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(I)c1OCC(N)=O	ZINC000409225123	570175735	/nfs/dbraw/zinc/17/57/35/570175735.db2.gz	PCUBJMKKXJPZRS-UHFFFAOYSA-N	-1	1	459.196	0.303	40	10		JCCBMM
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(N)=O	ZINC000409227561	570176302	/nfs/dbraw/zinc/17/63/02/570176302.db2.gz	ZNPFETNXUGDCKJ-UHFFFAOYSA-N	-1	1	461.237	0.078	40	10		JCCBMM
NC(=O)COc1c(Br)cc(Br)cc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000409255181	570186758	/nfs/dbraw/zinc/18/67/58/570186758.db2.gz	HIAPINJKPCUDCW-UHFFFAOYSA-N	-1	1	463.107	0.990	40	10		JCCBMM
CN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)c(Br)c2)C(=O)[N-]C1=S	ZINC000409375414	1070375669	/nfs/dbraw/zinc/37/56/69/1070375669.db2.gz	KLLAYYHACSNIRY-XYOKQWHBSA-N	-1	1	468.329	0.943	40	10		JCCBMM