smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@H]2c1ccc(-c2ccccc2)o1	ZINC000217974042	569455470	/nfs/dbraw/zinc/45/54/70/569455470.db2.gz	CEXMPXLMHXDUME-HNNXBMFYSA-N	-1	0	430.412	4.711	50	70	biogenic	IJIARM
CC(=O)c1c([O-])c2c(C)cc(=O)oc2c2c1OC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1	ZINC000217974133	569455490	/nfs/dbraw/zinc/45/54/90/569455490.db2.gz	CEXMPXLMHXDUME-OAHLLOKOSA-N	-1	0	430.412	4.711	50	70	biogenic	IJIARM
COc1ccc([C@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c2ccccc12	ZINC000218111948	569456394	/nfs/dbraw/zinc/45/63/94/569456394.db2.gz	HBAKUPPRJKAWMF-QGZVFWFLSA-N	-1	0	444.439	4.612	50	70	biogenic	IJIARM
Cc1nc2sc([C@@H](c3ccc(Br)s3)N3CCCCCC3)c([O-])n2n1	ZINC000218440056	557199761	/nfs/dbraw/zinc/19/97/61/557199761.db2.gz	CJKOISSZUJSIDP-CYBMUJFWSA-N	-1	0	427.393	4.594	50	70		IJIARM
COc1ccc([C@@H]2CC(=O)Oc3c(C(C)=O)c([O-])c4c(C)cc(=O)oc4c32)c2ccccc12	ZINC000218111865	569456358	/nfs/dbraw/zinc/45/63/58/569456358.db2.gz	HBAKUPPRJKAWMF-KRWDZBQOSA-N	-1	0	444.439	4.612	50	70	biogenic	IJIARM
Cc1nc2sc([C@H](c3ccc(Br)s3)N3CCCCCC3)c([O-])n2n1	ZINC000218440143	557199582	/nfs/dbraw/zinc/19/95/82/557199582.db2.gz	CJKOISSZUJSIDP-ZDUSSCGKSA-N	-1	0	427.393	4.594	50	70		IJIARM