smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)c1ccc(N2N=C(c3ccc([O-])c(Cl)c3)CCC2=O)cc1	ZINC000096911493	136187856	/nfs/dbraw/zinc/18/78/56/136187856.db2.gz	MWKFGHFHFRAIOI-UHFFFAOYSA-N	-1	1	378.837	2.980	1	10		GFCFMM
O=[N+]([O-])c1cc(CN2CCN(Cc3ccncc3)CC2)c([O-])c2ncccc12	ZINC000095596109	208236479	/nfs/dbraw/zinc/23/64/79/208236479.db2.gz	CWTZHTJQUAOVQY-UHFFFAOYSA-N	-1	1	379.420	2.561	1	10		GFCFMM
O=C(c1ccc([O-])c(O)c1)c1cc2cc(Br)cc(O)c2oc1=O	ZINC000096917603	208327702	/nfs/dbraw/zinc/32/77/02/208327702.db2.gz	OJNJAUWCSKAHHN-UHFFFAOYSA-N	-1	1	377.146	2.903	1	10		GFCFMM
CN(C)Cc1c([O-])c(C[NH+](C)C)c([O-])c2c(=O)c(-c3ccc(O)cc3)coc12	ZINC000082154723	211163356	/nfs/dbraw/zinc/16/33/56/211163356.db2.gz	RYBFHERUOYJMEJ-UHFFFAOYSA-N	-1	1	384.432	2.700	1	10		GFCFMM
O=[N+]([O-])c1cc(CN2CCN(Cc3cccnc3)CC2)c([O-])c2ncccc12	ZINC000095593554	211281351	/nfs/dbraw/zinc/28/13/51/211281351.db2.gz	WXWHNXUPXWYMEI-UHFFFAOYSA-N	-1	1	379.420	2.561	1	10		GFCFMM
O=c1cc(-c2ccccc2)oc2c(CN3CCC(CO)CC3)c([O-])c(O)c(O)c12	ZINC000072124364	222209523	/nfs/dbraw/zinc/20/95/23/222209523.db2.gz	HPAUUUSIXSZPIQ-UHFFFAOYSA-N	-1	1	397.427	2.781	1	10		GFCFMM
CCCCC(=O)c1c(CC(=O)OC)cc2c(c1O)C(=O)c1c([O-])cccc1C2=O	ZINC000013378461	210061437	/nfs/dbraw/zinc/06/14/37/210061437.db2.gz	AEDYCMURUGEFML-UHFFFAOYSA-N	-1	1	396.395	2.962	1	10	in-vitro	GFCFMM
COc1cc2oc(-c3cc(O)c(OC)c(OC)c3)c(OC)c(=O)c2c([O-])c1O	ZINC000003983880	560193033	/nfs/dbraw/zinc/19/30/33/560193033.db2.gz	DTODSGVQMWBBNE-UHFFFAOYSA-N	-1	1	390.344	2.611	1	10	biogenic,in-vitro	GFCFMM