smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccc([O-])cc2CC/C1=C\c1ccc([O-])c(Br)c1	ZINC000060364433	1036046392	/nfs/dbraw/zinc/04/63/92/1036046392.db2.gz	YPBQGKCLCAADTM-KPKJPENVSA-N	-2	3	345.192	4.073	20	30		EIEDHL
Cc1cc([O-])cc2c1C(=O)C(=N[N-]c1c(Cl)cccc1Cl)O2	ZINC000763187527	1045680387	/nfs/dbraw/zinc/68/03/87/1045680387.db2.gz	CGZSPLPDRAREHF-UHFFFAOYSA-N	-2	3	337.162	4.008	20	30		EIEDHL
O=C(c1cc(Cl)cc(Cl)c1[O-])N([O-])Cc1ccccc1Cl	ZINC001184293006	1051990685	/nfs/dbraw/zinc/99/06/85/1051990685.db2.gz	AWPACKBEOZHZPW-UHFFFAOYSA-N	-2	3	346.597	4.384	20	30		EIEDHL
CCOc1cc(/C=C/C(=O)c2ccc([O-])c(F)c2)cc(Cl)c1[O-]	ZINC000170852059	1049573548	/nfs/dbraw/zinc/57/35/48/1049573548.db2.gz	BRJBKZCFTDATPQ-HWKANZROSA-N	-2	3	336.746	4.185	20	30		EIEDHL
CCOc1cc(/C=C/C(=O)c2cccc(C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000806559264	1047303505	/nfs/dbraw/zinc/30/35/05/1047303505.db2.gz	YEACHCAZXDRUED-VOTSOKGWSA-N	-2	3	346.766	4.039	20	30		EIEDHL
O=C1c2ccc([O-])cc2CC/C1=C/c1ccc([O-])c(Br)c1	ZINC000206809236	1053844633	/nfs/dbraw/zinc/84/46/33/1053844633.db2.gz	YPBQGKCLCAADTM-GHXNOFRVSA-N	-2	3	345.192	4.073	20	30		EIEDHL
N#Cc1c([N-]C(=O)c2cc(F)c(F)c([O-])c2F)sc2ccccc21	ZINC001186770408	1050412368	/nfs/dbraw/zinc/41/23/68/1050412368.db2.gz	FVRVFCXXWBMZRZ-UHFFFAOYSA-N	-2	3	348.305	4.148	20	30		EIEDHL
COc1cc(/C=C\C(=O)c2ccc([O-])c(Cl)c2)cc(Cl)c1[O-]	ZINC000588480365	1025155863	/nfs/dbraw/zinc/15/58/63/1025155863.db2.gz	YDSQXEAQQOVJMR-RQOWECAXSA-N	-2	3	339.174	4.309	20	30		EIEDHL
CCOc1cc(/C=C\C(=O)c2cccc(C(=O)[O-])c2)cc(Cl)c1[O-]	ZINC000806559262	1047304354	/nfs/dbraw/zinc/30/43/54/1047304354.db2.gz	YEACHCAZXDRUED-SREVYHEPSA-N	-2	3	346.766	4.039	20	30		EIEDHL
CCC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([O-])c(F)c1	ZINC000764649487	1053257120	/nfs/dbraw/zinc/25/71/20/1053257120.db2.gz	NSSFKAKXWOSBQS-UHFFFAOYSA-N	-2	3	336.750	4.109	20	30		EIEDHL
CCOc1cc(/C=C\C(=O)c2ccc([O-])c(F)c2)cc(Cl)c1[O-]	ZINC000255558578	1027764665	/nfs/dbraw/zinc/76/46/65/1027764665.db2.gz	BRJBKZCFTDATPQ-HYXAFXHYSA-N	-2	3	336.746	4.185	20	30		EIEDHL