smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Fc1cccc(Cl)c1-c1nc2c([nH]1)c1ccc(Cl)cc1c1ccccc21	ZINC000045254985	205094077	/nfs/dbraw/zinc/09/40/77/205094077.db2.gz	VRYRXTPTQGLEIW-UHFFFAOYSA-N	0	1	381.237	6.982	1	5		GKBFMN
COc1ccc(CCNc2nc3ccccc3c3[nH]c4ccccc4c32)cc1OC	ZINC000045388825	205096012	/nfs/dbraw/zinc/09/60/12/205096012.db2.gz	QPLKYWUHABWZHD-UHFFFAOYSA-N	0	1	397.478	5.541	1	5		GKBFMN
CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(cc2O1)oc1cc(O)ccc1c3=O	ZINC000084758209	208098417	/nfs/dbraw/zinc/09/84/17/208098417.db2.gz	XMXKBMAJOOEHTP-QHCPKHFHSA-N	0	1	378.424	5.268	1	5		GKBFMN
C[N+](C)(C)CCO[P@](=O)([O-])OCCCCCC1CCCCCCCCC1	ZINC000029134132	717116376	/nfs/dbraw/zinc/11/63/76/717116376.db2.gz	DLDDVCKMVXRXCZ-UHFFFAOYSA-O	0	1	392.541	5.527	1	5		GKBFMN
CC(C)=CCC[C@@]1(C)C=Cc2c(cc(O)c3c(=O)c4ccc(O)cc4oc23)O1	ZINC000084758211	222321691	/nfs/dbraw/zinc/32/16/91/222321691.db2.gz	QBYSGRXGDUXAQT-QHCPKHFHSA-N	0	1	378.424	5.268	1	5		GKBFMN
CC(C)=CCc1c([O-])c2c(O)c3ccc([O-])cc3oc-2c(CC=C(C)C)c1=O	ZINC000015252157	221334388	/nfs/dbraw/zinc/33/43/88/221334388.db2.gz	HHHZYUKPVCUMDR-UHFFFAOYSA-N	0	1	380.440	5.080	1	5	endogenous,in-man	GKBFMN
CC(C)=CCC[C@]1(C)C=Cc2c(O)c3c(cc2O1)oc1cc(O)ccc1c3=O	ZINC000084758208	211175862	/nfs/dbraw/zinc/17/58/62/211175862.db2.gz	XMXKBMAJOOEHTP-HSZRJFAPSA-N	0	1	378.424	5.268	1	5		GKBFMN
CN(C(=N)Nc1cccc2cc3ccccc3cc21)c1cccc2ccccc21	ZINC000013733878	210085836	/nfs/dbraw/zinc/08/58/36/210085836.db2.gz	IZEUFSOAAACXPC-UHFFFAOYSA-N	0	1	375.475	6.629	1	5		GKBFMN
C(=C/c1ccccc1)\CN1CCN(c2nc3ccccc3c3ccccc32)CC1	ZINC000103264620	533354092	/nfs/dbraw/zinc/35/40/92/533354092.db2.gz	OMFHIGAEFZMMFG-DHZHZOJOSA-N	0	1	379.507	5.223	1	5		GKBFMN
Fc1ccc(Cl)cc1Nc1nc2c(-c3nc[nH]n3)cccc2c2cnccc21	ZINC000073157221	222267241	/nfs/dbraw/zinc/26/72/41/222267241.db2.gz	GIHUWFBQWLLTIZ-UHFFFAOYSA-N	0	1	390.809	5.104	1	5		GKBFMN
CC/C(C)=C/Cc1c(OC)c(OC)cc2oc3cc4occc4c(O)c3c(=O)c21	ZINC000095485929	291145711	/nfs/dbraw/zinc/14/57/11/291145711.db2.gz	TVYFVYALLYHWDF-WUXMJOGZSA-N	0	1	394.423	5.314	1	5	biogenic,in-vitro	GKBFMN
O=c1cc(NC2CCN(Cc3ccccc3)CC2)oc2c3ccccc3ccc12	ZINC000101034418	208385198	/nfs/dbraw/zinc/38/51/98/208385198.db2.gz	GKVPZMWJPKUMPZ-UHFFFAOYSA-N	0	1	384.479	5.023	1	5		GKBFMN
C=Cc1ccc(CN2CCN(c3nc4ccccc4c4ccccc43)CC2)cc1	ZINC000103264618	136191053	/nfs/dbraw/zinc/19/10/53/136191053.db2.gz	CSIWWQCLDUJVHP-UHFFFAOYSA-N	0	1	379.507	5.353	1	5		GKBFMN
Fc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3cnccc32)c(Cl)c1	ZINC000073160838	208033996	/nfs/dbraw/zinc/03/39/96/208033996.db2.gz	KJZOQUBRACKVFA-UHFFFAOYSA-N	0	1	390.809	5.104	1	5		GKBFMN