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)[n-]c2n1	ZINC000217401747	570315809	/nfs/dbraw/zinc/31/58/09/570315809.db2.gz	NENJRHNIMLUSLL-UHFFFAOYSA-N	-1	0	381.371	1.526	50	70		GDIARM
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)c1	ZINC000218553432	570336664	/nfs/dbraw/zinc/33/66/64/570336664.db2.gz	OEUMNIRCDMZCTH-HNNXBMFYSA-N	-1	0	389.481	1.850	50	70		GDIARM
Cn1c(=O)oc2ccc(S(=O)(=O)[N-]c3cnn(CC4CCOCC4)c3)cc21	ZINC000218247410	570818340	/nfs/dbraw/zinc/81/83/40/570818340.db2.gz	SAXAEMRHUSEGOL-UHFFFAOYSA-N	-1	0	392.437	1.555	50	70		GDIARM
Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2CCN(S(C)(=O)=O)CC2)o1	ZINC000218535544	570336432	/nfs/dbraw/zinc/33/64/32/570336432.db2.gz	DGQKAVVQZUGWDK-LBPRGKRZSA-N	-1	0	397.482	1.064	50	70		GDIARM
CSCC[C@H](NC(=O)CCc1n[nH]c(=O)[n-]c1=O)c1nc2ccccc2[nH]1	ZINC000218441952	205948246	/nfs/dbraw/zinc/94/82/46/205948246.db2.gz	GEZCOXVMNRVCBC-LBPRGKRZSA-N	-1	0	388.453	1.290	50	70		GDIARM
COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])N2CCN(C)CC2)c1	ZINC000218553506	205949876	/nfs/dbraw/zinc/94/98/76/205949876.db2.gz	OEUMNIRCDMZCTH-OAHLLOKOSA-N	-1	0	389.481	1.850	50	70		GDIARM
COc1cc(OC)cc([C@@H](c2sc3ncnn3c2[O-])N2CCOCC2)c1	ZINC000218556065	570336815	/nfs/dbraw/zinc/33/68/15/570336815.db2.gz	VJJMKTGGTDXQNM-AWEZNQCLSA-N	-1	0	376.438	1.935	50	70		GDIARM
COc1ccc2c(ccn2CCNC(=O)CCc2nn3c([n-]2)nc(C)cc3=O)c1	ZINC000218491980	533321194	/nfs/dbraw/zinc/32/11/94/533321194.db2.gz	QKQHOPNJDTZCLP-UHFFFAOYSA-N	-1	0	394.435	1.438	50	70		GDIARM
Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2CCN(S(C)(=O)=O)CC2)o1	ZINC000218535629	208838080	/nfs/dbraw/zinc/83/80/80/208838080.db2.gz	DGQKAVVQZUGWDK-GFCCVEGCSA-N	-1	0	397.482	1.064	50	70		GDIARM
COC(=O)C[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])cc(C)oc1=O	ZINC000217962254	209184676	/nfs/dbraw/zinc/18/46/76/209184676.db2.gz	AKHRVPLICSLWBE-LLVKDONJSA-N	-1	0	399.355	1.919	50	70	biogenic	GDIARM
COC(=O)C[C@@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)c1c([O-])cc(C)oc1=O	ZINC000217962178	212113888	/nfs/dbraw/zinc/11/38/88/212113888.db2.gz	AKHRVPLICSLWBE-NSHDSACASA-N	-1	0	399.355	1.919	50	70	biogenic	GDIARM
COc1cc(OC)cc([C@H](c2sc3ncnn3c2[O-])N2CCOCC2)c1	ZINC000218556171	570336741	/nfs/dbraw/zinc/33/67/41/570336741.db2.gz	VJJMKTGGTDXQNM-CQSZACIVSA-N	-1	0	376.438	1.935	50	70		GDIARM
Cc1cc(=O)n2nc(CC(=O)N(C)Cc3nccn3Cc3ccccc3)[n-]c2n1	ZINC000218494957	570335578	/nfs/dbraw/zinc/33/55/78/570335578.db2.gz	RRXIYRKVMSJLBK-UHFFFAOYSA-N	-1	0	391.435	1.584	50	70		GDIARM