smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(F)cc1)[C@@]12C[C@@H]1/C(=N\O)c1ccccc1O2	ZINC000066258520	184399450	/nfs/dbraw/zinc/39/94/50/184399450.db2.gz	BVEWFTIBKOIQJC-VHMUTBNBSA-N	0	2	312.300	2.794	1	30		DFEFLN
O=C(Nc1ccc(F)cc1)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2	ZINC000066258519	184399350	/nfs/dbraw/zinc/39/93/50/184399350.db2.gz	BVEWFTIBKOIQJC-HFQSWYCISA-N	0	2	312.300	2.794	1	30		DFEFLN
CN(C(=O)[C@]12C[C@H]1/C(=N\O)c1ccccc1O2)c1ccccc1	ZINC000003946641	181058945	/nfs/dbraw/zinc/05/89/45/181058945.db2.gz	OXCHNAWHIAXEFF-QMQOJDGPSA-N	0	2	308.337	2.679	1	30		DFEFLN
COc1ccc(CN2c3ccc(F)cc3/C(=N/O)C2=O)cc1	ZINC000043058898	183332749	/nfs/dbraw/zinc/33/27/49/183332749.db2.gz	ASNZOYUVYRPTSF-SDXDJHTJSA-N	0	2	300.289	2.559	1	30		DFEFLN
CSc1c(C#N)c(O)n(-c2ccc(C)cc2)c(=O)c1C(C)=O	ZINC000006522814	181348897	/nfs/dbraw/zinc/34/88/97/181348897.db2.gz	NXMNGCNMCWMSTM-UHFFFAOYSA-N	0	2	314.366	2.648	1	30		DFEFLN
Cc1cc(O)c(C(=O)/C=C/c2ccc(N(C)C)s2)c(=O)o1	ZINC000040918371	183148969	/nfs/dbraw/zinc/14/89/69/183148969.db2.gz	WSWVHEGREQNOPI-GQCTYLIASA-N	0	2	305.355	2.677	1	30		DFEFLN
FC(F)(F)/C(=N\OCC1OCCO1)c1ccc(Cl)cc1	ZINC000002383233	560186895	/nfs/dbraw/zinc/18/68/95/560186895.db2.gz	UKSLKNUCVPZQCQ-BOPFTXTBSA-N	0	2	309.671	2.996	1	30	in-vitro	DFEFLN
COc1ccc(NC(=O)[C@]23C[C@H]2/C(=N\O)c2ccccc2O3)cc1	ZINC000066258522	184399116	/nfs/dbraw/zinc/39/91/16/184399116.db2.gz	VRGVOWFKLSZRDR-GJZUERPMSA-N	0	2	324.336	2.663	1	30	in-vitro	DFEFLN
COc1ccc(NC(=O)[C@@]23C[C@@H]2/C(=N\O)c2ccccc2O3)cc1	ZINC000066258521	184399310	/nfs/dbraw/zinc/39/93/10/184399310.db2.gz	VRGVOWFKLSZRDR-CMQPTGAZSA-N	0	2	324.336	2.663	1	30	in-vitro	DFEFLN
Cc1cc(NS(=O)(=O)c2ccccc2)nc(Cl)c1C#N	ZINC000005332475	181230472	/nfs/dbraw/zinc/23/04/72/181230472.db2.gz	PBXIEZDJTWNEJJ-UHFFFAOYSA-N	0	2	307.762	2.716	2	30		DFEFLN