smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233565955	1066863844	/nfs/dbraw/zinc/86/38/44/1066863844.db2.gz	CKWQJFOCDNKWBU-AJKIVAFUSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233565955	1066863839	/nfs/dbraw/zinc/86/38/39/1066863839.db2.gz	CKWQJFOCDNKWBU-AJKIVAFUSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233565956	1066863778	/nfs/dbraw/zinc/86/37/78/1066863778.db2.gz	CKWQJFOCDNKWBU-QMALHXIISA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233565956	1066863776	/nfs/dbraw/zinc/86/37/76/1066863776.db2.gz	CKWQJFOCDNKWBU-QMALHXIISA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233565957	1066863984	/nfs/dbraw/zinc/86/39/84/1066863984.db2.gz	CKWQJFOCDNKWBU-QZXAKIBKSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233565957	1066863979	/nfs/dbraw/zinc/86/39/79/1066863979.db2.gz	CKWQJFOCDNKWBU-QZXAKIBKSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233565958	1066863894	/nfs/dbraw/zinc/86/38/94/1066863894.db2.gz	CKWQJFOCDNKWBU-YBPQSNLQSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](CC(C)C)C(=O)OC(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233565958	1066863892	/nfs/dbraw/zinc/86/38/92/1066863892.db2.gz	CKWQJFOCDNKWBU-YBPQSNLQSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233568249	1066863834	/nfs/dbraw/zinc/86/38/34/1066863834.db2.gz	RIXKRTVUEXKKIX-ANZURSDLSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233568249	1066863829	/nfs/dbraw/zinc/86/38/29/1066863829.db2.gz	RIXKRTVUEXKKIX-ANZURSDLSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233568250	1066863823	/nfs/dbraw/zinc/86/38/23/1066863823.db2.gz	RIXKRTVUEXKKIX-OKTISSRRSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233568250	1066863820	/nfs/dbraw/zinc/86/38/20/1066863820.db2.gz	RIXKRTVUEXKKIX-OKTISSRRSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233568251	1066864825	/nfs/dbraw/zinc/86/48/25/1066864825.db2.gz	RIXKRTVUEXKKIX-SJQPRBQBSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233568251	1066864811	/nfs/dbraw/zinc/86/48/11/1066864811.db2.gz	RIXKRTVUEXKKIX-SJQPRBQBSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC001233568252	1066864942	/nfs/dbraw/zinc/86/49/42/1066864942.db2.gz	RIXKRTVUEXKKIX-WNLMNSNFSA-N	-1	1	500.544	3.539	20	30		KHEDMM
CC(=O)c1c2c(c(O[C@H](C(=O)OC(C)(C)C)C(C)C)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC001233568252	1066864938	/nfs/dbraw/zinc/86/49/38/1066864938.db2.gz	RIXKRTVUEXKKIX-WNLMNSNFSA-N	-1	1	500.544	3.539	20	30		KHEDMM