smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2cccc(F)c2F)[C@@H](O)[C@@H]1O	ZINC001189486862	1068110292	/nfs/dbraw/zinc/11/02/92/1068110292.db2.gz	IKIYAUXVAJSNCQ-JOLIMNQDSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2cccc(F)c2F)[C@@H](O)[C@@H]1O	ZINC001189486865	1068110352	/nfs/dbraw/zinc/11/03/52/1068110352.db2.gz	IKIYAUXVAJSNCQ-WECGXBHGSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2cc(F)ccc2F)[C@@H](O)[C@@H]1O	ZINC001189718413	1068111253	/nfs/dbraw/zinc/11/12/53/1068111253.db2.gz	ZUHACUFBRVYWON-SYLRKERUSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2cc(F)ccc2F)[C@@H](O)[C@@H]1O	ZINC001189718414	1068111261	/nfs/dbraw/zinc/11/12/61/1068111261.db2.gz	ZUHACUFBRVYWON-VEGXAWMVSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2ccc(F)cc2F)[C@@H](O)[C@@H]1O	ZINC001189854393	1068111338	/nfs/dbraw/zinc/11/13/38/1068111338.db2.gz	HTWHYZQGHMWEPX-SYLRKERUSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2ccc(F)cc2F)[C@@H](O)[C@@H]1O	ZINC001189854394	1068111389	/nfs/dbraw/zinc/11/13/89/1068111389.db2.gz	HTWHYZQGHMWEPX-VEGXAWMVSA-N	-1	2	449.406	-1.989	20	0		IAADLM
CCOC(=O)C(C)(C)S(=O)(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]1O	ZINC001193093672	1068118599	/nfs/dbraw/zinc/11/85/99/1068118599.db2.gz	ZOBFVBSWZZEHRF-IGORNWKESA-N	-1	2	437.445	-3.126	20	0		IAADLM
CCOC(=O)C(C)(C)S(=O)(=O)N[C@H]1[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]1O	ZINC001193093673	1068118540	/nfs/dbraw/zinc/11/85/40/1068118540.db2.gz	ZOBFVBSWZZEHRF-VVULQXIFSA-N	-1	2	437.445	-3.126	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2c(F)cccc2F)[C@@H](O)[C@@H]1O	ZINC001197630233	1068130964	/nfs/dbraw/zinc/13/09/64/1068130964.db2.gz	YGKSIGIILNPRAK-SYLRKERUSA-N	-1	2	449.406	-1.989	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2c(F)cccc2F)[C@@H](O)[C@@H]1O	ZINC001197630236	1068130913	/nfs/dbraw/zinc/13/09/13/1068130913.db2.gz	YGKSIGIILNPRAK-VEGXAWMVSA-N	-1	2	449.406	-1.989	20	0		IAADLM
CC[NH+]1CC(O[C@H]2[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]2n2cnc3c2nc[nH]c3=O)C1	ZINC001227665021	1068434980	/nfs/dbraw/zinc/43/49/80/1068434980.db2.gz	VPKPJATWVUKIHR-ADGXKJENSA-N	-1	2	431.342	-1.011	20	0		IAADLM
CC[NH+]1CC(O[C@@H]2[C@H](O)[C@@H](COP(=O)([O-])[O-])O[C@H]2n2cnc3c2nc[nH]c3=O)C1	ZINC001227665022	1068434949	/nfs/dbraw/zinc/43/49/49/1068434949.db2.gz	VPKPJATWVUKIHR-SDBHATRESA-N	-1	2	431.342	-1.011	20	0		IAADLM
Cn1nc([O-])c(=O)nc1SCC1=C(C(=O)[O-])N2C(=O)[C@@H]([NH2+]C[C@H](O)CO)[C@H]2SC1	ZINC001252075830	1068452442	/nfs/dbraw/zinc/45/24/42/1068452442.db2.gz	XXLXCMDOZMIPHA-HHURGBBESA-N	-1	2	445.479	-2.874	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H](O)[C@@H]1O	ZINC001260631591	1068478278	/nfs/dbraw/zinc/47/82/78/1068478278.db2.gz	NXKLVCYMKYHXCH-SYLRKERUSA-N	-1	2	431.416	-2.128	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2ccccc2F)[C@@H](O)[C@@H]1O	ZINC001260631592	1068478139	/nfs/dbraw/zinc/47/81/39/1068478139.db2.gz	NXKLVCYMKYHXCH-VEGXAWMVSA-N	-1	2	431.416	-2.128	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H](NS(=O)(=O)Cc2ccccc2Cl)[C@@H](O)[C@@H]1O	ZINC001260699127	1068479001	/nfs/dbraw/zinc/47/90/01/1068479001.db2.gz	PVEWKGJKZFCIRB-SYLRKERUSA-N	-1	2	447.871	-1.614	20	0		IAADLM
O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H](NS(=O)(=O)Cc2ccccc2Cl)[C@@H](O)[C@@H]1O	ZINC001260699128	1068478935	/nfs/dbraw/zinc/47/89/35/1068478935.db2.gz	PVEWKGJKZFCIRB-VEGXAWMVSA-N	-1	2	447.871	-1.614	20	0		IAADLM