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-])c1ccc2c(c1)nc(Nc1ccccc1Cl)c1ccncc21	ZINC000066111488	215012601	/nfs/dbraw/zinc/01/26/01/215012601.db2.gz	YPILJHDFYFBQCV-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM
O=C([O-])c1cccc2c3cnccc3c(-c3ccc(Cl)cc3)nc12	ZINC000073222532	203261004	/nfs/dbraw/zinc/26/10/04/203261004.db2.gz	PIYRCLWKQVPONG-UHFFFAOYSA-N	-1	0	334.762	4.802	1	5		EJBFRM
CC(C)=CCc1c2oc3c(c2ccc1O)c(=O)oc1cc([O-])ccc31	ZINC000049073510	571764922	/nfs/dbraw/zinc/76/49/22/571764922.db2.gz	MQKLGUOASGICKG-UHFFFAOYSA-N	-1	0	336.343	4.612	1	5	endogenous,in-man	EJBFRM
CCCCc1c([O-])c2cc3ccccc3nc2n(-c2ccccc2)c1=O	ZINC000100815742	219108051	/nfs/dbraw/zinc/10/80/51/219108051.db2.gz	NXCYEYYYFKWQEQ-UHFFFAOYSA-N	-1	0	344.414	4.587	1	5		EJBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cnccc21	ZINC000066104622	215012546	/nfs/dbraw/zinc/01/25/46/215012546.db2.gz	NTYUIJAFCGHSCF-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1ccc(Cl)cc1)c1ccncc21	ZINC000066111489	215013321	/nfs/dbraw/zinc/01/33/21/215013321.db2.gz	FDLMFILSLBXXIV-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM
C[C@H](OC(=S)[N-]c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000040394504	213296270	/nfs/dbraw/zinc/29/62/70/213296270.db2.gz	BKBMCVCFEORPSU-JTQLQIEISA-N	-1	0	336.800	4.723	1	5		EJBFRM
O=C([O-])c1ccc2c(c1)nc(Cc1cccc(Cl)c1)c1ccncc21	ZINC000073240667	216367778	/nfs/dbraw/zinc/36/77/78/216367778.db2.gz	RTRRWIJIXBUDIU-UHFFFAOYSA-N	-1	0	348.789	4.725	1	5		EJBFRM
CC1(C)C=Cc2cc3c(cc2O1)oc1c3c(=O)oc2cc([O-])ccc12	ZINC000014711585	291010899	/nfs/dbraw/zinc/01/08/99/291010899.db2.gz	JOMJKDWBAPDZIF-UHFFFAOYSA-N	-1	0	334.327	4.582	1	5	biogenic,in-vitro	EJBFRM
CC(C)=CCc1c([O-])ccc2c3oc4cc(O)ccc4c3c(=O)oc21	ZINC000014650485	560101147	/nfs/dbraw/zinc/10/11/47/560101147.db2.gz	FRXPSBUCIWPZMH-UHFFFAOYSA-N	-1	0	336.343	4.612	1	5	endogenous,in-man	EJBFRM
O=C([O-])c1ccc2c(c1)nc(Nc1cccc(Cl)c1)c1cccnc21	ZINC000066100991	215011940	/nfs/dbraw/zinc/01/19/40/215011940.db2.gz	FYZWSLOCEICNJA-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM
Cn1c2c3cc(Br)ccc3oc2c2cccc(C(=O)[O-])c21	ZINC000026178491	212509820	/nfs/dbraw/zinc/50/98/20/212509820.db2.gz	YCDUFMAMSPCTLS-UHFFFAOYSA-N	-1	0	344.164	4.538	1	5		EJBFRM
O=C([O-])c1cccc2c3oc4ccc(Br)cc4c3[nH]c21	ZINC000000027060	208550945	/nfs/dbraw/zinc/55/09/45/208550945.db2.gz	XFGPVJJBSADMOF-UHFFFAOYSA-N	-1	0	330.137	4.528	1	5		EJBFRM
O=C([O-])c1ccc2c(c1)nc(-c1ccc(Cl)cc1)c1ccncc21	ZINC000059222766	214615270	/nfs/dbraw/zinc/61/52/70/214615270.db2.gz	ZDVURXSHLHGWLN-UHFFFAOYSA-N	-1	0	334.762	4.802	1	5		EJBFRM
O=C([O-])c1cccc2c3cnccc3c(Nc3cccc(Cl)c3)nc12	ZINC000066104619	215012631	/nfs/dbraw/zinc/01/26/31/215012631.db2.gz	AMEIMZMBRNKSJG-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM
C[C@@H](OC(=S)[N-]c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	ZINC000040394505	213297005	/nfs/dbraw/zinc/29/70/05/213297005.db2.gz	BKBMCVCFEORPSU-SNVBAGLBSA-N	-1	0	336.800	4.723	1	5		EJBFRM
COC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)[O-]	ZINC000095910230	291012330	/nfs/dbraw/zinc/01/23/30/291012330.db2.gz	DGGQUKOLHQXDLV-QTNXRKSWSA-N	-1	0	342.435	4.698	1	5	biogenic,in-vitro	EJBFRM
O=C([O-])c1ccc2nc(-c3ccc(Cl)cc3)c3ccncc3c2c1	ZINC000082157716	217480031	/nfs/dbraw/zinc/48/00/31/217480031.db2.gz	XYVLVVCDORMLTL-UHFFFAOYSA-N	-1	0	334.762	4.802	1	5		EJBFRM
O=C([O-])c1cc2ccc3c4ccc(C(F)(F)F)cc4[nH]c3c2cc1O	ZINC000040949392	202469496	/nfs/dbraw/zinc/46/94/96/202469496.db2.gz	RYNOZWOYJNQMAT-UHFFFAOYSA-N	-1	0	345.276	4.897	1	5		EJBFRM
O=C([O-])c1ccc2nc(Nc3cccc(Cl)c3)c3ccncc3c2c1	ZINC000066102512	215012152	/nfs/dbraw/zinc/01/21/52/215012152.db2.gz	LASSUIXPGNSPGU-UHFFFAOYSA-N	-1	0	349.777	4.878	1	5		EJBFRM