smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC/N=C(\c1ccccc1Cl)c1cc(Cl)ccc1[O-]	ZINC000004216034	181085384	/nfs/dbraw/zinc/08/53/84/181085384.db2.gz	ZGLIFVFRIOKQLE-LVZFUZTISA-N	-1	3	322.235	5.337	10	30	in-man	DKEEHM
C=C[C@H](CC(C)(C)CC(C)(C)C)c1ccc2cccnc2c1[O-]	ZINC000005138117	181208806	/nfs/dbraw/zinc/20/88/06/181208806.db2.gz	VOHHCUUIBNXCNP-OAHLLOKOSA-N	-1	3	311.469	6.063	10	30		DKEEHM
C=C[C@@H](CC(C)(C)CC(C)(C)C)c1ccc2cccnc2c1[O-]	ZINC000005138118	181208593	/nfs/dbraw/zinc/20/85/93/181208593.db2.gz	VOHHCUUIBNXCNP-HNNXBMFYSA-N	-1	3	311.469	6.063	10	30		DKEEHM
Cc1ccc([O-])c(/N=C\c2c3ccccc3cc3ccccc32)c1	ZINC000005927043	181296972	/nfs/dbraw/zinc/29/69/72/181296972.db2.gz	SSAZJQLLKBUADP-UCQKPKSFSA-N	-1	3	311.384	5.758	10	30		DKEEHM
[O-]/N=C1\c2ccccc2N=C1c1ccc(C2CCCCC2)cc1	ZINC000006455128	181342266	/nfs/dbraw/zinc/34/22/66/181342266.db2.gz	JKCDPMDEWLXVTJ-LSDHQDQOSA-N	-1	3	304.393	5.047	10	30		DKEEHM
[O-]c1cc(-c2cccc(C(F)(F)F)c2F)cc(C(F)(F)F)c1	ZINC000065344393	184325990	/nfs/dbraw/zinc/32/59/90/184325990.db2.gz	SXUWSCNTBJYSGP-UHFFFAOYSA-N	-1	3	324.195	5.236	10	30		DKEEHM
[O-]c1cc(-c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1	ZINC000065344395	184325941	/nfs/dbraw/zinc/32/59/41/184325941.db2.gz	GXGPDWDSFDKJPN-UHFFFAOYSA-N	-1	3	324.195	5.236	10	30		DKEEHM
CC(C)(C)c1cc(/N=C/c2ccccc2[O-])cc(C(C)(C)C)c1	ZINC000584655495	337377885	/nfs/dbraw/zinc/37/78/85/337377885.db2.gz	CRMVSNHIDQIQDO-HYARGMPZSA-N	-1	3	309.453	5.738	10	30		DKEEHM