smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(F)c(N[C@H]2C[C@H](C)Sc3sccc32)c1	ZINC000217006514	333352289	/nfs/dbraw/zinc/35/22/89/333352289.db2.gz	RYUIIIXZLPHQNI-ZANVPECISA-N	0	0	309.431	4.933	10	70		DJIERN
Fc1cc(F)c2nccc(N[C@H](c3nccs3)C3CC3)c2c1	ZINC000159657260	526305979	/nfs/dbraw/zinc/30/59/79/526305979.db2.gz	LUZNZLCAJZAZDH-AWEZNQCLSA-N	0	0	317.364	4.533	10	70		DJIERN
CC(C)c1nc([C@@H](C)Nc2nc(C(C)(C)C)ns2)cs1	ZINC000159593382	519866405	/nfs/dbraw/zinc/86/64/05/519866405.db2.gz	VHIDKSCQYXIMKB-SECBINFHSA-N	0	0	310.492	4.589	10	70		DJIERN
Fc1cc(F)c2nccc(N[C@@H](c3nccs3)C3CC3)c2c1	ZINC000159657135	526305416	/nfs/dbraw/zinc/30/54/16/526305416.db2.gz	LUZNZLCAJZAZDH-CQSZACIVSA-N	0	0	317.364	4.533	10	70		DJIERN
COc1ccc(F)c(N[C@@H]2C[C@H](C)Sc3sccc32)c1	ZINC000217006523	333352391	/nfs/dbraw/zinc/35/23/91/333352391.db2.gz	RYUIIIXZLPHQNI-TVQRCGJNSA-N	0	0	309.431	4.933	10	70		DJIERN
O=C(Nc1cccc2[nH]ccc21)N[C@@H]1CCCc2cc(F)ccc21	ZINC000160822827	333669710	/nfs/dbraw/zinc/66/97/10/333669710.db2.gz	GANQZQHHGXUQRS-QGZVFWFLSA-N	0	0	323.371	4.506	10	70		DJIERN
O=C(Nc1cccc2[nH]ccc21)N[C@H]1CCCc2cc(F)ccc21	ZINC000160822968	333669717	/nfs/dbraw/zinc/66/97/17/333669717.db2.gz	GANQZQHHGXUQRS-KRWDZBQOSA-N	0	0	323.371	4.506	10	70		DJIERN
CC(=O)[C@H](C)CCCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159719412	332692929	/nfs/dbraw/zinc/69/29/29/332692929.db2.gz	IPVICZFGXUJOQU-ZRGWGRIASA-N	0	0	315.457	4.527	10	70		DJIERN
Cc1ccc(F)c(CN[C@@H](C)c2ccccc2Br)c1	ZINC000218146978	340492302	/nfs/dbraw/zinc/49/23/02/340492302.db2.gz	WTAGZQQSDWNTDD-LBPRGKRZSA-N	0	0	322.221	4.747	10	70		DJIERN
COCc1ccccc1NC(=O)N[C@H]1CC[C@H](C)c2ccccc21	ZINC000159869631	332717674	/nfs/dbraw/zinc/71/76/74/332717674.db2.gz	YGRDAOJFCRCRIO-LIRRHRJNSA-N	0	0	324.424	4.593	10	70		DJIERN
COCc1ccccc1NC(=O)N[C@H]1CC[C@@H](C)c2ccccc21	ZINC000159869491	332717698	/nfs/dbraw/zinc/71/76/98/332717698.db2.gz	YGRDAOJFCRCRIO-KUHUBIRLSA-N	0	0	324.424	4.593	10	70		DJIERN
COCc1ccccc1NC(=O)N[C@@H]1CC[C@H](C)c2ccccc21	ZINC000159869877	332717659	/nfs/dbraw/zinc/71/76/59/332717659.db2.gz	YGRDAOJFCRCRIO-IFXJQAMLSA-N	0	0	324.424	4.593	10	70		DJIERN
Cc1ccc(F)c(CN[C@H](C)c2ccccc2Br)c1	ZINC000218146580	334072103	/nfs/dbraw/zinc/07/21/03/334072103.db2.gz	WTAGZQQSDWNTDD-GFCCVEGCSA-N	0	0	322.221	4.747	10	70		DJIERN