smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)n2nc(CC(=O)NCc3c[nH]nc3-c3ccc(F)cc3)[nH]c2n1	ZINC000217401747	570315823	/nfs/dbraw/zinc/31/58/23/570315823.db2.gz	NENJRHNIMLUSLL-UHFFFAOYSA-N	0	2	381.371	1.526	50	70		GDIALN
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2[O-])N2CC[NH+](C)CC2)c1	ZINC000218553432	570336666	/nfs/dbraw/zinc/33/66/66/570336666.db2.gz	OEUMNIRCDMZCTH-HNNXBMFYSA-N	0	2	389.481	1.850	50	70		GDIALN
Cn1c(=O)oc2ccc(S(=O)(=O)Nc3cnn(CC4CCOCC4)c3)cc21	ZINC000218247410	570818346	/nfs/dbraw/zinc/81/83/46/570818346.db2.gz	SAXAEMRHUSEGOL-UHFFFAOYSA-N	0	2	392.437	1.555	50	70		GDIALN
CSCC[C@H](NC(=O)CCc1n[nH]c(=O)[nH]c1=O)c1nc2ccccc2[nH]1	ZINC000218441952	205948252	/nfs/dbraw/zinc/94/82/52/205948252.db2.gz	GEZCOXVMNRVCBC-LBPRGKRZSA-N	0	2	388.453	1.290	50	70		GDIALN
COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])N2CC[NH+](C)CC2)c1	ZINC000218553506	205949881	/nfs/dbraw/zinc/94/98/81/205949881.db2.gz	OEUMNIRCDMZCTH-OAHLLOKOSA-N	0	2	389.481	1.850	50	70		GDIALN
COc1cc(OC)cc([C@@H](C2Sc3ncnn3C2=O)N2CCOCC2)c1	ZINC000218556065	570336818	/nfs/dbraw/zinc/33/68/18/570336818.db2.gz	VJJMKTGGTDXQNM-AWEZNQCLSA-N	0	2	376.438	1.935	50	70		GDIALN
COc1ccc2c(ccn2CCNC(=O)CCc2nn3c(nc(C)cc3=O)[nH]2)c1	ZINC000218491980	533321200	/nfs/dbraw/zinc/32/12/00/533321200.db2.gz	QKQHOPNJDTZCLP-UHFFFAOYSA-N	0	2	394.435	1.438	50	70		GDIALN
COc1cc(OC)cc([C@H](C2Sc3ncnn3C2=O)N2CCOCC2)c1	ZINC000218556171	570336746	/nfs/dbraw/zinc/33/67/46/570336746.db2.gz	VJJMKTGGTDXQNM-CQSZACIVSA-N	0	2	376.438	1.935	50	70		GDIALN
Cc1cc(=O)n2nc(CC(=O)N(C)Cc3nccn3Cc3ccccc3)[nH]c2n1	ZINC000218494957	570335581	/nfs/dbraw/zinc/33/55/81/570335581.db2.gz	RRXIYRKVMSJLBK-UHFFFAOYSA-N	0	2	391.435	1.584	50	70		GDIALN