smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)oc2c(CN3CCCC3)c([O-])cc(O)c12	ZINC000072124365	203164872	/nfs/dbraw/zinc/16/48/72/203164872.db2.gz	GKJFTAHRQKCPRS-UHFFFAOYSA-N	-1	3	337.375	3.467	1	10		EGCFHM
CC(C)c1cc(C(=O)N2CCc3ccccc3C2)c(O)c([O-])c1O	ZINC000029464740	202187062	/nfs/dbraw/zinc/18/70/62/202187062.db2.gz	BHMAXGYZHGTXAG-UHFFFAOYSA-N	-1	3	327.380	3.125	1	10		EGCFHM
COc1c(C)c(=O)c2c([O-])cc(-c3ccc(O)c(O)c3)oc-2c1C	ZINC000014727455	560225084	/nfs/dbraw/zinc/22/50/84/560225084.db2.gz	QDEUSJBJDJYZOM-UHFFFAOYSA-N	-1	3	328.320	3.202	1	10	biogenic,in-vitro	EGCFHM
CC(C)c1cc2c(c(O)c1[O-])[C@@]13CCCC(C)(C)[C@H]1[C@H](OC3=O)C2=O	ZINC000014688360	560224468	/nfs/dbraw/zinc/22/44/68/560224468.db2.gz	SWVDNEGGBBYXGS-HLIPFELVSA-N	-1	3	344.407	3.407	1	10	biogenic,in-vitro	EGCFHM
CC(=O)N1N=C(c2c([O-])ccc3ccccc32)C[C@@H]1C(=O)c1ccco1	ZINC000005855418	210548771	/nfs/dbraw/zinc/54/87/71/210548771.db2.gz	UOOGYSAHQAMOKC-MRXNPFEDSA-N	-1	3	348.358	3.346	1	10		EGCFHM
CCN(CC)Cc1cc(OC)c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000026672759	202147061	/nfs/dbraw/zinc/14/70/61/202147061.db2.gz	QWLIKFWCIBHHIP-UHFFFAOYSA-N	-1	3	339.391	3.018	1	10		EGCFHM
O=c1cc2[nH]c3ccccc3[nH]c-2c2c(=O)c3ccccc3c([O-])c1-2	ZINC000101100279	219116479	/nfs/dbraw/zinc/11/64/79/219116479.db2.gz	LCEVOWBTRGTTAG-UHFFFAOYSA-N	-1	3	328.327	3.382	1	10	in-vivo	EGCFHM
O=c1c2ccccc2c(=O)c2c3[nH]c4ccccc4[nH]c3cc([O-])c12	ZINC000101100279	219116481	/nfs/dbraw/zinc/11/64/81/219116481.db2.gz	LCEVOWBTRGTTAG-UHFFFAOYSA-N	-1	3	328.327	3.382	1	10	in-vivo	EGCFHM
CC(=O)N1N=C(c2ccc(O)cc2[O-])C[C@H]1c1ccc(Cl)cc1	ZINC000013560432	211579041	/nfs/dbraw/zinc/57/90/41/211579041.db2.gz	HVOUDQYHUCMRDA-INIZCTEOSA-N	-1	3	330.771	3.449	1	10		EGCFHM
CN1CCN(Cc2c3cc(Cc4ccccc4)oc3ccc2[O-])CC1	ZINC000103262333	219278705	/nfs/dbraw/zinc/27/87/05/219278705.db2.gz	PMLNTBMWOYJECU-UHFFFAOYSA-N	-1	3	336.435	3.477	1	10		EGCFHM
COC(=O)C=c1[n-]n(-c2ccccc2)c(=O)c1=CNc1ccc(C)cc1	ZINC000100515714	219101300	/nfs/dbraw/zinc/10/13/00/219101300.db2.gz	UVWDSOCTVSQCTN-GHRIWEEISA-N	-1	3	349.390	3.257	3	10		EGCFHM
[O-]c1csc(N2N=C(c3ccccc3)C[C@H]2c2ccccc2O)n1	ZINC000040914676	213399570	/nfs/dbraw/zinc/39/95/70/213399570.db2.gz	PSTZYUFORNONNS-HNNXBMFYSA-N	-1	3	337.404	3.173	1	10		EGCFHM
CC(=O)N1N=C(c2ccc3ccccc3c2[O-])C[C@H]1C(=O)c1ccco1	ZINC000005838582	210545304	/nfs/dbraw/zinc/54/53/04/210545304.db2.gz	SUZLJZVQFUEUQR-KRWDZBQOSA-N	-1	3	348.358	3.346	1	10		EGCFHM