smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(/N=C/c2cc(Cl)cc(Cl)c2[O-])cc1-c1nc2ccccc2[nH]1	ZINC000001433842	212244649	/nfs/dbraw/zinc/24/46/49/212244649.db2.gz	DSCOXVLKZAHHHO-AUEPDCJTSA-N	-2	1	398.249	5.699	40	30		GKEBML
O=C([O-])c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3[O-])c3ccccc32)o1	ZINC000408542770	231055957	/nfs/dbraw/zinc/05/59/57/231055957.db2.gz	NUNMSDMBMNHALY-RMORIDSASA-N	-2	1	394.814	5.090	40	30		GKEBML
O=C([O-])c1ccc(COc2ccccc2/C=N\c2ccc(Cl)cc2[O-])cc1	ZINC000408960438	231136530	/nfs/dbraw/zinc/13/65/30/231136530.db2.gz	LSRYZQKYWXJIDZ-FMCGGJTJSA-N	-2	1	381.815	5.073	40	30		GKEBML
Cc1cc(/C=N\c2ccc(Cl)cc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000015013619	526097396	/nfs/dbraw/zinc/09/73/96/526097396.db2.gz	BLWGUAFUHKKRKS-KSEXSDGBSA-N	-2	1	382.847	5.210	40	30		GKEBML
Cc1cc(/C=N/c2ccc(Cl)cc2[O-])c(C)n1-c1ccc(C(=O)[O-])cc1C	ZINC000001101711	212216552	/nfs/dbraw/zinc/21/65/52/212216552.db2.gz	BLWGUAFUHKKRKS-FOKLQQMPSA-N	-2	1	382.847	5.210	40	30		GKEBML