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)c1c2[nH]snc-2ccc1=O	ZINC000218545838	206372513	/nfs/dbraw/zinc/37/25/13/206372513.db2.gz	DMTSZYYCLYOQCL-VIFPVBQESA-N	-1	1	364.810	3.451	50	70		FGIAMM
NC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccccc1)c1c(F)cccc1Cl	ZINC000218511836	497003192	/nfs/dbraw/zinc/00/31/92/497003192.db2.gz	XJUAEDVHEDQZLO-LBPRGKRZSA-N	-1	1	373.815	3.094	50	70		FGIAMM
O=C(c1ccc([O-])cn1)N1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21	ZINC000217590195	496998571	/nfs/dbraw/zinc/99/85/71/496998571.db2.gz	VQCSSUNTTGRDMI-HFSMHLIXSA-N	-1	1	352.434	3.080	50	70		FGIAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC[C@@H]1c1ccc(F)cc1	ZINC000217119121	496994634	/nfs/dbraw/zinc/99/46/34/496994634.db2.gz	BDCVCWKUJKFJEL-QGZVFWFLSA-N	-1	1	351.381	3.430	50	70		FGIAMM
COC(=O)C[C@H](c1ccc([O-])c(Cl)c1)c1c2[nH]snc-2ccc1=O	ZINC000218545760	206371534	/nfs/dbraw/zinc/37/15/34/206371534.db2.gz	DMTSZYYCLYOQCL-SECBINFHSA-N	-1	1	364.810	3.451	50	70		FGIAMM
O=C(c1nc2ccccc2c(=O)[n-]1)N1CCCC[C@H]1c1ccc(F)cc1	ZINC000217119139	496994721	/nfs/dbraw/zinc/99/47/21/496994721.db2.gz	BDCVCWKUJKFJEL-KRWDZBQOSA-N	-1	1	351.381	3.430	50	70		FGIAMM
NC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccccc1)c1c(F)cccc1Cl	ZINC000218511755	497003572	/nfs/dbraw/zinc/00/35/72/497003572.db2.gz	XJUAEDVHEDQZLO-GFCCVEGCSA-N	-1	1	373.815	3.094	50	70		FGIAMM
Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1n[n-]c(C(F)(F)F)n1	ZINC000218517256	497003587	/nfs/dbraw/zinc/00/35/87/497003587.db2.gz	KTRQPTISKGHPOY-UHFFFAOYSA-N	-1	1	370.722	3.130	50	70		FGIAMM