smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(c2ccc(CNC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2)CC1	ZINC000829296927	1073854062	/nfs/dbraw/zinc/85/40/62/1073854062.db2.gz	RLRPRHCALHMPEQ-HNNXBMFYSA-N	0	1	380.470	-1.032	20	10		GACDMN
COc1ccc(N2CC[C@H](NC(=O)C(=O)NCC(=O)N3CCNCC3)C2)cc1	ZINC000851687688	1075442608	/nfs/dbraw/zinc/44/26/08/1075442608.db2.gz	HFDBKNUWPHTWIQ-AWEZNQCLSA-N	0	1	389.456	-1.062	20	10		GACDMN
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NCC(=O)N3CCNCC3)C2)cc1	ZINC000851687693	1075442580	/nfs/dbraw/zinc/44/25/80/1075442580.db2.gz	HFDBKNUWPHTWIQ-CQSZACIVSA-N	0	1	389.456	-1.062	20	10		GACDMN
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(O)CNC3)CC2)cc1	ZINC000852905615	1075445036	/nfs/dbraw/zinc/44/50/36/1075445036.db2.gz	XQIUHZVMHRUASP-UHFFFAOYSA-N	0	1	398.485	-1.403	20	10		GACDMN
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H](O)[C@H](CO)C3)cc2)CC1	ZINC000898320083	1074334839	/nfs/dbraw/zinc/33/48/39/1074334839.db2.gz	ITBDNMCOLYVJBT-DOTOQJQBSA-N	0	1	376.457	-1.134	20	10		GACDMN
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](CO)[C@H](O)C3)cc2)CC1	ZINC000898320090	1074335145	/nfs/dbraw/zinc/33/51/45/1074335145.db2.gz	ITBDNMCOLYVJBT-NVXWUHKLSA-N	0	1	376.457	-1.134	20	10		GACDMN
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](O)[C@H](CO)C3)cc2)CC1	ZINC000898320092	1074334886	/nfs/dbraw/zinc/33/48/86/1074334886.db2.gz	ITBDNMCOLYVJBT-RDJZCZTQSA-N	0	1	376.457	-1.134	20	10		GACDMN
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@H](O)[C@@H](CO)C3)cc2)CC1	ZINC000898320094	1074335529	/nfs/dbraw/zinc/33/55/29/1074335529.db2.gz	ITBDNMCOLYVJBT-WBVHZDCISA-N	0	1	376.457	-1.134	20	10		GACDMN
NCC(=O)NCC(=O)NCC(=O)NCC(=O)N1CCc2cccc(O)c2C1	ZINC001160872928	1073982564	/nfs/dbraw/zinc/98/25/64/1073982564.db2.gz	QLLLHNNXLIOEFN-UHFFFAOYSA-N	0	1	377.401	-2.416	20	10		GACDMN
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CCNCC1	ZINC001328370239	1074830957	/nfs/dbraw/zinc/83/09/57/1074830957.db2.gz	MMJPOKFDLUFZRP-UHFFFAOYSA-N	0	1	380.470	-1.031	20	10		GACDMN
O=C(NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@H]1CNC(=O)N1	ZINC001593403533	1076248739	/nfs/dbraw/zinc/24/87/39/1076248739.db2.gz	FCDPVABJFZKRBD-LLVKDONJSA-N	0	1	384.404	-1.019	20	10		GACDMN
O=C(NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)[C@@H]1CNC(=O)N1	ZINC001593403534	1076248748	/nfs/dbraw/zinc/24/87/48/1076248748.db2.gz	FCDPVABJFZKRBD-NSHDSACASA-N	0	1	384.404	-1.019	20	10		GACDMN
O=C(Cn1cnnn1)NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001606624842	1076382944	/nfs/dbraw/zinc/38/29/44/1076382944.db2.gz	GLTHHIGKXNFOIA-UHFFFAOYSA-N	0	1	382.392	-1.014	20	10		GACDMN
O=C(Cn1ncnn1)NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1	ZINC001606626033	1076383690	/nfs/dbraw/zinc/38/36/90/1076383690.db2.gz	VMTSVEMOOAEOJY-UHFFFAOYSA-N	0	1	382.392	-1.014	20	10		GACDMN