smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@H]1C	ZINC000160892175	524989955	/nfs/dbraw/zinc/98/99/55/524989955.db2.gz	JVGFNGLIAZLFDS-LLVKDONJSA-N	-1	1	357.248	1.947	10	70		FDIEMM
CC(C)c1nc2n(n1)C[C@@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)CC2	ZINC000159366732	524654052	/nfs/dbraw/zinc/65/40/52/524654052.db2.gz	MCNKZCFKMSRSTE-VIFPVBQESA-N	-1	1	358.855	1.082	10	70		FDIEMM
CC(=O)N[C@@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000160531807	524910152	/nfs/dbraw/zinc/91/01/52/524910152.db2.gz	SCMWJNVWKKMWQP-CQSZACIVSA-N	-1	1	359.430	1.111	10	70		FDIEMM
CC(=O)N[C@H]1CCCN(C(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)C1	ZINC000160531680	524911288	/nfs/dbraw/zinc/91/12/88/524911288.db2.gz	SCMWJNVWKKMWQP-AWEZNQCLSA-N	-1	1	359.430	1.111	10	70		FDIEMM
COCCN1CCN(C(=O)c2ccc(Br)c([O-])c2)C[C@@H]1C	ZINC000160892318	524990896	/nfs/dbraw/zinc/99/08/96/524990896.db2.gz	JVGFNGLIAZLFDS-NSHDSACASA-N	-1	1	357.248	1.947	10	70		FDIEMM
CC(C)c1nc2n(n1)C[C@H]([N-]S(=O)(=O)c1ncn(C)c1Cl)CC2	ZINC000159366600	524654502	/nfs/dbraw/zinc/65/45/02/524654502.db2.gz	MCNKZCFKMSRSTE-SECBINFHSA-N	-1	1	358.855	1.082	10	70		FDIEMM
O=C(c1cc(I)ccc1[O-])N1CCn2ccnc2C1	ZINC000217916748	537457425	/nfs/dbraw/zinc/45/74/25/537457425.db2.gz	CBSOSUZWGFSHNS-UHFFFAOYSA-N	-1	1	369.162	1.849	10	70		FDIEMM