smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/N=N/c2ccccc2Cl)cc1	ZINC000005320708	384109833	/nfs/dbraw/zinc/10/98/33/384109833.db2.gz	AVLSBNKDBZPCGA-FOCLMDBBSA-N	0	0	246.697	4.764	10	10		BJCERN
O=C1C=CC(=NNc2cccc3ccccc32)C=C1	ZINC000005935259	183268011	/nfs/dbraw/zinc/26/80/11/183268011.db2.gz	PBUOCZDBWLIYDD-ISLYRVAYSA-N	0	0	248.285	4.961	10	10		BJCERN
CCc1ccc(/N=N/c2ccc(NC)cc2)cc1	ZINC000018084140	342931394	/nfs/dbraw/zinc/93/13/94/342931394.db2.gz	GEFRFCYQDJSSHP-ISLYRVAYSA-N	0	0	239.322	4.706	10	10		BJCERN
CCNc1ccc(/N=N/c2ccccc2)cc1	ZINC000031622171	170172626	/nfs/dbraw/zinc/17/26/26/170172626.db2.gz	OCWXDBMTBDGKKE-WUKNDPDISA-N	0	0	225.295	4.534	10	10		BJCERN
Cc1cc(/N=N/c2ccccc2)nc2ccccc12	ZINC000100132176	384617968	/nfs/dbraw/zinc/61/79/68/384617968.db2.gz	UGNRNWRVHNHDHX-VHEBQXMUSA-N	0	0	247.301	4.959	10	10		BJCERN
O=C1C=CC(=NNc2cccc3ccccc32)C=C1	ZINC000100412063	183267247	/nfs/dbraw/zinc/26/72/47/183267247.db2.gz	PBUOCZDBWLIYDD-ZCXUNETKSA-N	0	0	248.285	4.961	10	10		BJCERN
Cc1ccc(/N=N/c2cc(C)c(N)cc2C)cc1	ZINC000139667532	345800850	/nfs/dbraw/zinc/80/08/50/345800850.db2.gz	XYJNIQFFJCOHPJ-ISLYRVAYSA-N	0	0	239.322	4.609	10	10		BJCERN
CCOc1ccccc1/N=N/c1ccccc1	ZINC000196323655	368405218	/nfs/dbraw/zinc/40/52/18/368405218.db2.gz	ZPJOGQRHLRPOCN-FOCLMDBBSA-N	0	0	226.279	4.501	10	10		BJCERN
c1[nH]c2ccccc2c1N=Nc1ccccc1	ZINC000254565418	183415575	/nfs/dbraw/zinc/41/55/75/183415575.db2.gz	CHWPRPBKMKFUPJ-UHFFFAOYSA-N	0	0	221.263	4.583	10	10		BJCERN
CCC1=CC(=NNc2ccc(C)cc2)C(=O)C=C1	ZINC000254699737	388350670	/nfs/dbraw/zinc/35/06/70/388350670.db2.gz	WVBQWBUUZZLCHY-UHFFFAOYSA-N	0	0	240.306	4.678	10	10		BJCERN
CCc1ccc(N=Nc2ccc(NC)cc2)cc1	ZINC000257351614	345773876	/nfs/dbraw/zinc/77/38/76/345773876.db2.gz	GEFRFCYQDJSSHP-UHFFFAOYSA-N	0	0	239.322	4.706	10	10		BJCERN
O=C1C=CC(=NNc2cccc3ccccc32)C=C1	ZINC000257353054	345774447	/nfs/dbraw/zinc/77/44/47/345774447.db2.gz	PBUOCZDBWLIYDD-UHFFFAOYSA-N	0	0	248.285	4.961	10	10		BJCERN
CCOc1ccc(N=Nc2ccccc2)cc1	ZINC000257354309	345774894	/nfs/dbraw/zinc/77/48/94/345774894.db2.gz	WZSVOUYPNAGMPC-UHFFFAOYSA-N	0	0	226.279	4.501	10	10		BJCERN
COc1cccc(/N=N/c2ccc(Cl)cc2)c1	ZINC000306120888	175241439	/nfs/dbraw/zinc/24/14/39/175241439.db2.gz	YEZNOJZRVZBTPM-FOCLMDBBSA-N	0	0	246.697	4.764	10	10		BJCERN
COc1cccc(/N=N/c2ccc(C)cc2C)c1	ZINC000390823044	525779240	/nfs/dbraw/zinc/77/92/40/525779240.db2.gz	QTYBLQVGJCBSSA-WUKNDPDISA-N	0	0	240.306	4.727	10	10		BJCERN
COc1cccc(N=Nc2ccc(C)cc2C)c1	ZINC000616373000	347031038	/nfs/dbraw/zinc/03/10/38/347031038.db2.gz	QTYBLQVGJCBSSA-UHFFFAOYSA-N	0	0	240.306	4.727	10	10		BJCERN