smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccc(Cl)cc1-c1cc(Cl)c(Cl)c(Cl)c1Cl	ZINC000002521634	560187351	/nfs/dbraw/zinc/18/73/51/560187351.db2.gz	YIRXIYMPZUSPOV-UHFFFAOYSA-N	-1	3	342.436	6.326	10	0	in-vitro	EKAEHM
[O-]c1ccc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1	ZINC000002598139	560188353	/nfs/dbraw/zinc/18/83/53/560188353.db2.gz	OAQUWXNGKQXRIX-UHFFFAOYSA-N	-1	3	342.436	6.326	10	0	in-vitro	EKAEHM
[O-]c1ccc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1	ZINC000002598153	560188333	/nfs/dbraw/zinc/18/83/33/560188333.db2.gz	OYJXPELCPNFWNN-UHFFFAOYSA-N	-1	3	342.436	6.326	10	0	in-vitro	EKAEHM
[O-]c1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1	ZINC000004655098	560199517	/nfs/dbraw/zinc/19/95/17/560199517.db2.gz	BFEKLMSBXGRXSD-UHFFFAOYSA-N	-1	3	342.436	6.326	10	0	in-vitro	EKAEHM
CC(C)=CCC/C(C)=C/Cc1c([O-])cc(/C=C/c2ccccc2)cc1O	ZINC000005158604	201057565	/nfs/dbraw/zinc/05/75/65/201057565.db2.gz	YPGQBVBJFQCVKA-ORSZPIRQSA-N	-1	3	348.486	6.503	10	0		EKAEHM
Nc1nc2ccc(Sc3ccc4ccccc4c3)cc2c(=S)[n-]1	ZINC000025967496	201384097	/nfs/dbraw/zinc/38/40/97/201384097.db2.gz	XZPFNKSRMYMMDE-UHFFFAOYSA-N	-1	3	335.457	5.179	10	0		EKAEHM
COc1ccc(-c2cc([O-])cc(C(F)(F)F)c2)cc1C(F)(F)F	ZINC000065344427	214873315	/nfs/dbraw/zinc/87/33/15/214873315.db2.gz	WGBDAVZJKGXOOY-UHFFFAOYSA-N	-1	3	336.231	5.105	10	0		EKAEHM
[O-]c1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Br	ZINC000076275425	203345256	/nfs/dbraw/zinc/34/52/56/203345256.db2.gz	CDMMIQMTQZBVGB-UHFFFAOYSA-N	-1	3	347.039	5.074	10	0		EKAEHM
[O-]c1ccc(CNc2cc(Cl)ccc2Cl)cc1Br	ZINC000076275432	203345967	/nfs/dbraw/zinc/34/59/67/203345967.db2.gz	DVKVLJMDDDZLJO-UHFFFAOYSA-N	-1	3	347.039	5.074	10	0		EKAEHM
CC(C)c1ccc2oc(-c3cc(-c4ccccc4)ccc3[O-])nc2c1	ZINC000090713947	201373114	/nfs/dbraw/zinc/37/31/14/201373114.db2.gz	SRAGHZWNUQTSST-UHFFFAOYSA-N	-1	3	329.399	5.991	10	0		EKAEHM
CCCCc1c/c(=N/[O-])oc2cc3c(cc12)CCC1(CCCCC1)O3	ZINC000138027899	564129535	/nfs/dbraw/zinc/12/95/35/564129535.db2.gz	IDKNOVDPZHNZLG-XDOYNYLZSA-N	-1	3	341.451	5.093	10	0		EKAEHM