smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2[O-])cc1	ZINC000018051669	182091570	/nfs/dbraw/zinc/09/15/70/182091570.db2.gz	VVMRPNQOQNNHGI-JFMUQQRKSA-N	-2	3	316.360	4.599	40	30		DJEBHL
CCCCCCCCCCCC(=O)C(=O)c1ccc([O-])cc1[O-]	ZINC000001563294	568412274	/nfs/dbraw/zinc/41/22/74/568412274.db2.gz	YUOWXXUSJKVRHV-UHFFFAOYSA-N	-2	3	320.429	4.771	40	30		DJEBHL
CCCCCCCCCCC(=O)C(=O)c1ccc([O-])c(C)c1[O-]	ZINC000001563301	568412159	/nfs/dbraw/zinc/41/21/59/568412159.db2.gz	CBQCOUNFNFEPAB-UHFFFAOYSA-N	-2	3	320.429	4.689	40	30		DJEBHL
C=CCc1cc(/C=N/c2ccccc2[S-])cc(OCC)c1[O-]	ZINC000059303372	256539891	/nfs/dbraw/zinc/53/98/91/256539891.db2.gz	NATVQFNWBRYQRX-XDHOZWIPSA-N	-2	3	313.422	4.559	40	30		DJEBHL
[O-]c1ccccc1/N=C\c1ccc(/C=N\c2ccccc2[O-])cc1	ZINC000100443974	563877798	/nfs/dbraw/zinc/87/77/98/563877798.db2.gz	VVMRPNQOQNNHGI-JZTLMNBPSA-N	-2	3	316.360	4.599	40	30		DJEBHL
[O-]c1ccc(/N=C/c2ccc(/C=N/c3ccc([O-])cc3)cc2)cc1	ZINC000100308710	563914144	/nfs/dbraw/zinc/91/41/44/563914144.db2.gz	WPKCAAZPBXYJCW-JFMUQQRKSA-N	-2	3	316.360	4.599	40	30		DJEBHL
[O-]c1ccccc1/N=C/c1ccc(/C=N/c2ccccc2[O-])s1	ZINC000169502984	340526827	/nfs/dbraw/zinc/52/68/27/340526827.db2.gz	RHJIOVOWEUNXJD-AYKLPDECSA-N	-2	3	322.389	4.661	40	30		DJEBHL
[O-]c1ccccc1/C=N\c1ccccc1/N=C\c1ccccc1[O-]	ZINC000100015840	563528272	/nfs/dbraw/zinc/52/82/72/563528272.db2.gz	HXFYGSOGECBSOY-JZTLMNBPSA-N	-2	3	316.360	4.599	40	30		DJEBHL
[O-]c1ccccc1/N=C/c1ccc(/C=N\c2ccccc2[O-])cc1	ZINC000018153196	526370650	/nfs/dbraw/zinc/37/06/50/526370650.db2.gz	VVMRPNQOQNNHGI-VOKWCDJLSA-N	-2	3	316.360	4.599	40	30		DJEBHL