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)N[C@@H](Cc1ccc(O[P@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1	ZINC000027853420	561886332	/nfs/dbraw/zinc/88/63/32/561886332.db2.gz	ZMVHTMAZNLIMMI-ZEQRLZLVSA-N	-1	2	548.577	2.119	1	10		KECFLM
CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)NCc1ccc(N(C)C)cc1	ZINC000027853420	561886331	/nfs/dbraw/zinc/88/63/31/561886331.db2.gz	ZMVHTMAZNLIMMI-ZEQRLZLVSA-N	-1	2	548.577	2.119	1	10		KECFLM
COc1c2c(c(O)c3c1C(=O)c1c(O)c(C)c(O)cc1C3=O)-c1c(cc3cnn(CC(=O)[O-])c(O)c-3c1=O)CC2	ZINC000043120224	562646110	/nfs/dbraw/zinc/64/61/10/562646110.db2.gz	MURQBPHRFKKIGW-UHFFFAOYSA-N	-1	2	544.472	2.162	1	10		KECFLM
COc1c2c(c(O)c3c1C(=O)c1c(O)c(C)c(O)cc1C3=O)-c1c(cc3cnn(CC(=O)[O-])c(=O)c3c1O)CC2	ZINC000043120224	562646109	/nfs/dbraw/zinc/64/61/09/562646109.db2.gz	MURQBPHRFKKIGW-UHFFFAOYSA-N	-1	2	544.472	2.162	1	10		KECFLM
COc1ccc2oc3c(c(=O)c2c1O)C(=O)c1c(ccc2cc4c(c([O-])c21)C(=O)N1[C@@](C)(C4)OC(=O)[C@]1(C)CO)C3=O	ZINC000044305025	562653304	/nfs/dbraw/zinc/65/33/04/562653304.db2.gz	YDSUTHJTPFUHBP-XZWHSSHBSA-N	-1	2	571.494	2.164	1	10	in-vitro	KECFLM
COc1ccc2oc3c(c(=O)c2c1O)C(=O)c1c(ccc2cc4c(c([O-])c21)C(=O)N1[C@](C)(C4)OC(=O)[C@]1(C)CO)C3=O	ZINC000044305027	562653313	/nfs/dbraw/zinc/65/33/13/562653313.db2.gz	YDSUTHJTPFUHBP-KYJUHHDHSA-N	-1	2	571.494	2.164	1	10	in-vitro	KECFLM
COc1ccc2oc3c(c(=O)c2c1O)C(=O)c1c(ccc2cc4c(c([O-])c21)C(=O)N1[C@@](C)(C4)OC(=O)[C@@]1(C)CO)C3=O	ZINC000044305030	562653309	/nfs/dbraw/zinc/65/33/09/562653309.db2.gz	YDSUTHJTPFUHBP-LOYHVIPDSA-N	-1	2	571.494	2.164	1	10	in-vitro	KECFLM
COc1ccc2oc3c(c(=O)c2c1O)C(=O)c1c(ccc2cc4c(c([O-])c21)C(=O)N1[C@](C)(CO)C(=O)O[C@@]1(C)C4)C3=O	ZINC000044305032	562653281	/nfs/dbraw/zinc/65/32/81/562653281.db2.gz	YDSUTHJTPFUHBP-IHLOFXLRSA-N	-1	2	571.494	2.164	1	10	in-vitro	KECFLM
CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](Oc2ccc3c([O-])c(NC(=O)c4cc(CC=C(C)C)c(O)c(CN(C)C(=O)Cc5nn[nH]n5)c4)c(=O)oc3c2C)OC1(C)C	ZINC000095539542	562755106	/nfs/dbraw/zinc/75/51/06/562755106.db2.gz	ITAAVVXUUYRUIK-KGXZHFCSSA-N	-1	2	765.777	2.341	1	10		KECFLM
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)COC(=O)CCCCCC(=O)[O-])C[C@@H]3O[C@@H]1C[C@H](NC(=O)C(F)(F)F)[C@@H](O)[C@@H](C)O1	ZINC000169366858	562864527	/nfs/dbraw/zinc/86/45/27/562864527.db2.gz	BFXZQQOCJUUSMU-IZSATBMKSA-N	-1	2	781.686	2.307	1	10		KECFLM