smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000000273716	435953208	/nfs/dbraw/zinc/95/32/08/435953208.db2.gz	BQJVKHLHPAEXKP-UHFFFAOYSA-N	-2	3	346.343	0.940	40	10		ECCBHL
C[C@H](O)[C@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000031163892	436226007	/nfs/dbraw/zinc/22/60/07/436226007.db2.gz	BMKQPAJRQUUYGC-XHLQUELWSA-N	-2	3	330.292	0.993	40	10	biogenic,in-vitro	ECCBHL
C[C@@H](O)[C@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000031163888	436225293	/nfs/dbraw/zinc/22/52/93/436225293.db2.gz	BMKQPAJRQUUYGC-BAHMLBHCSA-N	-2	3	330.292	0.993	40	10	biogenic,in-vitro	ECCBHL
C[C@@H](O)[C@@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000031163880	436225794	/nfs/dbraw/zinc/22/57/94/436225794.db2.gz	BMKQPAJRQUUYGC-NPMWZIQKSA-N	-2	3	330.292	0.993	40	10	biogenic,in-vitro	ECCBHL
Cc1ccc(N2[N-]C(=O)C(=Cc3c([O-])[nH]c(=S)[n-]c3=O)C2=O)cc1	ZINC000005728579	435992271	/nfs/dbraw/zinc/99/22/71/435992271.db2.gz	YOUUEGSWIUDSTD-UXBLZVDNSA-N	-3	3	344.352	0.908	40	10		ECCBHL
O=C1[N-]C(=S)NC(=O)C1=Cc1cc(O)c([O-])c(Br)c1	ZINC000256055596	436855295	/nfs/dbraw/zinc/85/52/95/436855295.db2.gz	MPIBNTNHFOBXPH-UHFFFAOYSA-N	-2	3	343.158	0.775	40	10		ECCBHL
CC1=NN(c2ccc(C)cc2)C(=O)C1=Cc1c([O-])[nH]c(=O)[n-]c1=O	ZINC000005544083	435988737	/nfs/dbraw/zinc/98/87/37/435988737.db2.gz	FTRYVXUWBLYVGA-YRNVUSSQSA-N	-2	3	326.312	0.883	40	10		ECCBHL
C[C@H](O)[C@@H](O)c1cc([O-])c2c(c1)C(=O)c1cc([O-])cc(O)c1C2=O	ZINC000031163884	436225070	/nfs/dbraw/zinc/22/50/70/436225070.db2.gz	BMKQPAJRQUUYGC-WDDATRMLSA-N	-2	3	330.292	0.993	40	10	biogenic,in-vitro	ECCBHL
COc1ccc(N2N=C(C)C(=Cc3c([O-])[nH]c(=O)[n-]c3=O)C2=O)cc1	ZINC000016607580	295156759	/nfs/dbraw/zinc/15/67/59/295156759.db2.gz	QBXJXKSRJGYQBH-YRNVUSSQSA-N	-2	3	342.311	0.584	40	10		ECCBHL
O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)[O-])c(O)c([O-])c21	ZINC000034064982	304722143	/nfs/dbraw/zinc/72/21/43/304722143.db2.gz	DURBTILWOVXSNP-UHFFFAOYSA-N	-2	3	336.277	0.826	40	10		ECCBHL
CCOc1cc([N+](=O)[O-])cc(C=C2C(=O)[N-]C(=S)NC2=O)c1[O-]	ZINC000003032470	435971993	/nfs/dbraw/zinc/97/19/93/435971993.db2.gz	UFJCTNLCGBVGCM-UHFFFAOYSA-N	-2	3	337.313	0.613	40	10		ECCBHL
COc1ccc(N2N=C(C)C(=Cc3c([O-])[nH]c(=O)[n-]c3=O)C2=O)cc1	ZINC000100947781	295157040	/nfs/dbraw/zinc/15/70/40/295157040.db2.gz	QBXJXKSRJGYQBH-XFFZJAGNSA-N	-2	3	342.311	0.584	40	10		ECCBHL
Cc1cc(=O)[n-]c(Sc2ccc(C=C3C(=O)[N-]C(=O)NC3=O)o2)n1	ZINC000409098807	438583128	/nfs/dbraw/zinc/58/31/28/438583128.db2.gz	MBFBUWAYVWKFJM-UHFFFAOYSA-N	-2	3	346.324	0.984	40	10		ECCBHL