smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NN=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	ZINC000100559674	219102259	/nfs/dbraw/zinc/10/22/59/219102259.db2.gz	BOTKBBKUJWAASR-FMQUCBEESA-N	0	2	342.786	4.964	50	10		EJCALN
COC(=O)c1sc(SCc2ccccc2)c(C(F)(F)F)c1O	ZINC000000521750	201483138	/nfs/dbraw/zinc/48/31/38/201483138.db2.gz	LMZHMVOEMFTLIM-UHFFFAOYSA-N	0	2	348.367	4.551	50	10		EJCALN
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc([NH+](C)C)cc2)cc1	ZINC000000470606	563330791	/nfs/dbraw/zinc/33/07/91/563330791.db2.gz	XFOWFDMQYBEFPK-UHFFFAOYSA-N	0	2	348.446	4.536	50	10		EJCALN
COc1ccc(NN=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1	ZINC000252594042	564121084	/nfs/dbraw/zinc/12/10/84/564121084.db2.gz	BOTKBBKUJWAASR-UHFFFAOYSA-N	0	2	342.786	4.964	50	10		EJCALN
CC1=NN(c2ccccc2)C(=O)C1C=Nc1c(Cl)cccc1Cl	ZINC000012436425	211379594	/nfs/dbraw/zinc/37/95/94/211379594.db2.gz	MLKMRHIZMPOVTM-RAXLEYEMSA-N	0	2	346.217	4.712	50	10		EJCALN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000100148621	563982379	/nfs/dbraw/zinc/98/23/79/563982379.db2.gz	XAGWBIQIOPTHSE-GXDHUFHOSA-N	0	2	346.217	4.712	50	10		EJCALN
CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Cl)cc1Cl	ZINC000013395678	564136369	/nfs/dbraw/zinc/13/63/69/564136369.db2.gz	XAGWBIQIOPTHSE-UVTDQMKNSA-N	0	2	346.217	4.712	50	10		EJCALN
Oc1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2)C1	ZINC000013121764	563688897	/nfs/dbraw/zinc/68/88/97/563688897.db2.gz	GAPRSYVKBMTILY-ZDUSSCGKSA-N	0	2	341.625	4.791	50	10		EJCALN
CCOc1ccccc1-c1noc(C2Sc3ccccc3C2=O)n1	ZINC000012800339	563673820	/nfs/dbraw/zinc/67/38/20/563673820.db2.gz	PBIXAXBEGHKUAY-UHFFFAOYSA-N	0	2	338.388	4.723	50	10		EJCALN
CCOc1ccccc1-c1noc(-c2sc3ccccc3c2O)n1	ZINC000012800339	563673824	/nfs/dbraw/zinc/67/38/24/563673824.db2.gz	PBIXAXBEGHKUAY-UHFFFAOYSA-N	0	2	338.388	4.723	50	10		EJCALN
O=S(=O)(Nc1ccc(/N=N/c2ccccc2)cc1)c1cccs1	ZINC000017887072	564013253	/nfs/dbraw/zinc/01/32/53/564013253.db2.gz	JAUFKYYTQOZKRW-ISLYRVAYSA-N	0	2	343.433	4.964	50	10		EJCALN
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(Cl)c1Cl	ZINC000044965558	564027916	/nfs/dbraw/zinc/02/79/16/564027916.db2.gz	CTHZUZMBWKDXPE-RAXLEYEMSA-N	0	2	346.217	4.712	50	10		EJCALN
O=C1c2cccnc2SC1c1ncc(-c2ccc(Cl)cc2)o1	ZINC000006585756	564092240	/nfs/dbraw/zinc/09/22/40/564092240.db2.gz	UTFONPURSXKNLL-UHFFFAOYSA-N	0	2	328.780	4.977	50	10		EJCALN
COc1ccccc1N=NC1C(=O)N(c2ccc(Cl)cc2)N=C1C	ZINC000004503310	210206120	/nfs/dbraw/zinc/20/61/20/210206120.db2.gz	FKSCPRQUUKFLFV-FMQUCBEESA-N	0	2	342.786	4.964	50	10		EJCALN
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(Cl)c1	ZINC000100147877	219092286	/nfs/dbraw/zinc/09/22/86/219092286.db2.gz	SFRJBRHKTWQLCB-NTUHNPAUSA-N	0	2	347.201	4.505	50	10		EJCALN
Oc1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2)C1	ZINC000013121765	563688947	/nfs/dbraw/zinc/68/89/47/563688947.db2.gz	GAPRSYVKBMTILY-CYBMUJFWSA-N	0	2	341.625	4.791	50	10		EJCALN