smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccccc1/N=C/c1ccccc1[O-]	ZINC000012375300	342850413	/nfs/dbraw/zinc/85/04/13/342850413.db2.gz	AMNAGEKFWSNOTE-OQLLNIDSSA-N	-2	3	241.246	2.841	50	30		BFEAHL
O=C([O-])c1cccc2c1/C(=N/[O-])c1ccccc1-2	ZINC000022246398	371531772	/nfs/dbraw/zinc/53/17/72/371531772.db2.gz	UQMFETDKXJWZDS-FYWRMAATSA-N	-2	3	239.230	2.592	50	30		BFEAHL
N#Cc1cccc(-c2cc([O-])cc(C(=O)[O-])c2)c1	ZINC000065349637	269970410	/nfs/dbraw/zinc/97/04/10/269970410.db2.gz	QYZVOMJDXIGJQH-UHFFFAOYSA-N	-2	3	239.230	2.629	50	30		BFEAHL
O=C(/C=C\c1ccccc1)c1ccc([O-])cc1[O-]	ZINC000013521995	384366616	/nfs/dbraw/zinc/36/66/16/384366616.db2.gz	JUMSUVHHUVPSOY-TWGQIWQCSA-N	-2	3	240.258	2.994	50	30	biogenic,in-vitro	BFEAHL
C/C(=N\[O-])c1cc(Cl)cc(Cl)c1[O-]	ZINC000017863163	342929310	/nfs/dbraw/zinc/92/93/10/342929310.db2.gz	MLCQBWLVMIMZGC-NYYWCZLTSA-N	-2	3	220.055	2.897	50	30		BFEAHL
O=C([O-])c1ccc(N=Cc2ccccc2[O-])cc1	ZINC000254347356	538532291	/nfs/dbraw/zinc/53/22/91/538532291.db2.gz	CZNXQJHAMQNIHB-UHFFFAOYSA-N	-2	3	241.246	2.841	50	30		BFEAHL
Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=N/[O-])o1	ZINC000004544537	384066297	/nfs/dbraw/zinc/06/62/97/384066297.db2.gz	LAABNBXOMVHIJW-VGOFMYFVSA-N	-2	3	245.234	2.761	50	30		BFEAHL
O=C(/C=C/c1ccccc1)c1ccc([O-])cc1[O-]	ZINC000004252553	384049995	/nfs/dbraw/zinc/04/99/95/384049995.db2.gz	JUMSUVHHUVPSOY-RMKNXTFCSA-N	-2	3	240.258	2.994	50	30	biogenic,in-vitro	BFEAHL
O=C([O-])c1ccc(/C=N/c2ccccc2[O-])cc1	ZINC000226085974	345213055	/nfs/dbraw/zinc/21/30/55/345213055.db2.gz	XSYUWHUXGVSAGT-OQLLNIDSSA-N	-2	3	241.246	2.841	50	30		BFEAHL
[O-]c1cccc(/C=N/c2ccccc2[O-])c1	ZINC000000433453	183287156	/nfs/dbraw/zinc/28/71/56/183287156.db2.gz	PQKMAPANQMNEHB-NTEUORMPSA-N	-2	3	213.236	2.848	50	30		BFEAHL
[O-]/N=C/c1cc(Cl)cc(Cl)c1[O-]	ZINC000016892077	386659971	/nfs/dbraw/zinc/65/99/71/386659971.db2.gz	SHGLQTKOGKFLAS-XCVCLJGOSA-N	-2	3	206.028	2.507	50	30		BFEAHL
O=C(/C=C/c1ccccc1[O-])c1ccccc1[O-]	ZINC000004159316	384779282	/nfs/dbraw/zinc/77/92/82/384779282.db2.gz	KSHCTKZLHCSARH-MDZDMXLPSA-N	-2	3	240.258	2.994	50	30	biogenic,in-vitro	BFEAHL
O=C([O-])c1ccc(/N=C/c2ccccc2[O-])cc1	ZINC000013940414	342874368	/nfs/dbraw/zinc/87/43/68/342874368.db2.gz	CZNXQJHAMQNIHB-OQLLNIDSSA-N	-2	3	241.246	2.841	50	30	biogenic	BFEAHL
O=C([O-])c1cccc2c1-c1ccccc1/C2=N/[O-]	ZINC000016924810	362952739	/nfs/dbraw/zinc/95/27/39/362952739.db2.gz	IHSOXTPEDUKGBD-SQFISAMPSA-N	-2	3	239.230	2.592	50	30		BFEAHL
O=C([O-])c1ccc(/C=N/c2cccc([O-])c2)cc1	ZINC000003099674	343215880	/nfs/dbraw/zinc/21/58/80/343215880.db2.gz	NEPSFFQANHZROP-OQLLNIDSSA-N	-2	3	241.246	2.841	50	30		BFEAHL
O=C(/C=C\c1ccccc1[O-])c1ccccc1[O-]	ZINC000013523388	384366564	/nfs/dbraw/zinc/36/65/64/384366564.db2.gz	KSHCTKZLHCSARH-KTKRTIGZSA-N	-2	3	240.258	2.994	50	30		BFEAHL
O=C([O-])c1cccc2c1-c1ccccc1/C2=N\[O-]	ZINC000100370373	384638163	/nfs/dbraw/zinc/63/81/63/384638163.db2.gz	IHSOXTPEDUKGBD-FYWRMAATSA-N	-2	3	239.230	2.592	50	30		BFEAHL