smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)N(C(=O)c1c(O)cccc1F)C1CCN(C(=O)c2c(O)cccc2F)CC1	ZINC000436967746	981654490	/nfs/dbraw/zinc/65/44/90/981654490.db2.gz	YMFTXWRWBBZJKS-UHFFFAOYSA-N	-2	2	418.440	3.531	20	0		HHADLL
O=S(=O)(Nc1cccc(-c2nn[nH]n2)c1)c1c(Cl)cc(Cl)cc1Cl	ZINC000114605538	969827737	/nfs/dbraw/zinc/82/77/37/969827737.db2.gz	QYJOYLSUTYGHQG-UHFFFAOYSA-N	-2	2	404.666	3.628	20	0		HHADLL
Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)c1	ZINC000512729835	1004523654	/nfs/dbraw/zinc/52/36/54/1004523654.db2.gz	NEPHEAFBWVVLMY-UHFFFAOYSA-N	-2	2	422.217	3.638	20	0		HHADLL
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)cc1C(=O)[O-]	ZINC000548525972	1010656801	/nfs/dbraw/zinc/65/68/01/1010656801.db2.gz	NNYQXXUFHNQELC-UHFFFAOYSA-N	-2	2	424.645	3.844	20	0		HHADLL
O=C([O-])c1cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2Oc2ccccc2)cs1	ZINC000485081506	997452289	/nfs/dbraw/zinc/45/22/89/997452289.db2.gz	VVUYNCWKTNDGNJ-UHFFFAOYSA-N	-2	2	419.436	3.738	20	0		HHADLL
Cc1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)sc1C(=O)[O-]	ZINC000481432467	994267649	/nfs/dbraw/zinc/26/76/49/994267649.db2.gz	GEWZMQAMNVEUBQ-UHFFFAOYSA-N	-2	2	410.256	3.561	20	0		HHADLL
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1C(=O)[O-]	ZINC000548526760	1010656590	/nfs/dbraw/zinc/65/65/90/1010656590.db2.gz	GWGJLDDVUKFDIC-UHFFFAOYSA-N	-2	2	423.752	3.556	20	0		HHADLL