smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(C)(C)CN1CC(=O)[N-]C1=O	159411043	344144183	/nfs/dbraw/zinc/14/41/83/344144183.db2.gz	MEPSHDNRVVBYFD-UHFFFAOYSA-N	-1	3	186.211	-0.037	10	70		ABIEHM
C[C@H](CO)[C@H](C)NC(=O)c1c[n-]nn1	160269942	538040159	/nfs/dbraw/zinc/04/01/59/538040159.db2.gz	SKMALSFIXXFXBM-RITPCOANSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](CO)[C@H](C)NC(=O)c1cnn[n-]1	160269942	538040163	/nfs/dbraw/zinc/04/01/63/538040163.db2.gz	SKMALSFIXXFXBM-RITPCOANSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](CO)[C@H](C)NC(=O)c1cn[n-]n1	160269942	538040169	/nfs/dbraw/zinc/04/01/69/538040169.db2.gz	SKMALSFIXXFXBM-RITPCOANSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@@H](CO)[C@@H](C)NC(=O)c1c[n-]nn1	160269667	538040459	/nfs/dbraw/zinc/04/04/59/538040459.db2.gz	SKMALSFIXXFXBM-NTSWFWBYSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@@H](CO)[C@@H](C)NC(=O)c1cnn[n-]1	160269667	538040466	/nfs/dbraw/zinc/04/04/66/538040466.db2.gz	SKMALSFIXXFXBM-NTSWFWBYSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@@H](CO)[C@@H](C)NC(=O)c1cn[n-]n1	160269667	538040475	/nfs/dbraw/zinc/04/04/75/538040475.db2.gz	SKMALSFIXXFXBM-NTSWFWBYSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](CO)[C@@H](C)NC(=O)c1c[n-]nn1	160269768	538040906	/nfs/dbraw/zinc/04/09/06/538040906.db2.gz	SKMALSFIXXFXBM-PHDIDXHHSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](CO)[C@@H](C)NC(=O)c1cnn[n-]1	160269768	538040910	/nfs/dbraw/zinc/04/09/10/538040910.db2.gz	SKMALSFIXXFXBM-PHDIDXHHSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](CO)[C@@H](C)NC(=O)c1cn[n-]n1	160269768	538040915	/nfs/dbraw/zinc/04/09/15/538040915.db2.gz	SKMALSFIXXFXBM-PHDIDXHHSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](NC(=O)c1c[n-]nn1)[C@@H](C)CO	160269844	538042789	/nfs/dbraw/zinc/04/27/89/538042789.db2.gz	SKMALSFIXXFXBM-WDSKDSINSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](NC(=O)c1cnn[n-]1)[C@@H](C)CO	160269844	538042795	/nfs/dbraw/zinc/04/27/95/538042795.db2.gz	SKMALSFIXXFXBM-WDSKDSINSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
C[C@H](NC(=O)c1cn[n-]n1)[C@@H](C)CO	160269844	538042801	/nfs/dbraw/zinc/04/28/01/538042801.db2.gz	SKMALSFIXXFXBM-WDSKDSINSA-N	-1	3	198.226	-0.449	10	70		ABIEHM
O=C([N-]C(F)(F)F)NCCO	217266947	573268450	/nfs/dbraw/zinc/26/84/50/573268450.db2.gz	RWUXIRJJJGQYBX-UHFFFAOYSA-N	-1	3	172.106	-0.202	10	70		ABIEHM