smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)CNC(=O)[C@H](CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CC[C@H](N)C(=O)OCC	ZINC000026387435	553818187	/nfs/dbraw/zinc/81/81/87/553818187.db2.gz	PYPKSBBTQSNXLR-HOTGVXAUSA-N	0	0	577.454	1.333	30	0		KDACRN
CCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000064540178	562707674	/nfs/dbraw/zinc/70/76/74/562707674.db2.gz	HRGZELWFPQCNNG-NQVPMCNCSA-N	0	0	515.431	1.268	30	0		KDACRN
CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000064540179	562707675	/nfs/dbraw/zinc/70/76/75/562707675.db2.gz	TTZHDVOVKQGIBA-MOLXTFABSA-N	0	0	529.458	1.657	30	0		KDACRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@@H]4O[C@@H]([C@@H](O)CO)CO[C@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000072123687	553640619	/nfs/dbraw/zinc/64/06/19/553640619.db2.gz	GVKXFVCXBFGBCD-JRPGFILLSA-N	0	0	654.665	1.573	30	0	in-vitro	KDACRN
COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@@H]4O[C@@H]([C@H](O)CO)CO[C@H]4OC)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1	ZINC000095099283	553698036	/nfs/dbraw/zinc/69/80/36/553698036.db2.gz	GVKXFVCXBFGBCD-QKDMMWSPSA-N	0	0	654.665	1.573	30	0	biogenic,in-vivo	KDACRN
Nc1nc2c(ncn2CCCCCCCCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OCc2cc(Br)cs2)n1	ZINC000100425739	554387075	/nfs/dbraw/zinc/38/70/75/554387075.db2.gz	WAAZBVOGWRQLMB-PUIBNRJISA-N	0	0	616.535	1.969	30	0		KDACRN
CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1	ZINC000101802366	562812210	/nfs/dbraw/zinc/81/22/10/562812210.db2.gz	TTZHDVOVKQGIBA-KHFYHRBSSA-N	0	0	529.458	1.657	30	0		KDACRN
CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1	ZINC000204927416	1066434335	/nfs/dbraw/zinc/43/43/35/1066434335.db2.gz	PPUXXDKQNAHHON-BJLQDIEVSA-N	0	0	535.560	1.955	30	0		KDACRN