smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(-c2ccccc2)c2cccc-2c1-c1ccccc1	ZINC000000973270	566835531	/nfs/dbraw/zinc/83/55/31/566835531.db2.gz	UGQBWAARCFJMKR-UHFFFAOYSA-N	0	1	284.362	4.859	50	10		CJCAMN
CC(C)C[NH+](Cc1c([O-])ccc2ccccc21)CC(C)C	ZINC000004339927	567938299	/nfs/dbraw/zinc/93/82/99/567938299.db2.gz	ABPITNTXXGOCET-UHFFFAOYSA-N	0	1	285.431	4.659	50	10		CJCAMN
CCN(CC)C1=CC(=O)C(=[NH+][N-]c2ccccc2)C=C1	ZINC000004772938	170014543	/nfs/dbraw/zinc/01/45/43/170014543.db2.gz	JEECDDYJZTVOEJ-ISLYRVAYSA-N	0	1	269.348	4.654	50	10		CJCAMN
Cc1ccc2nc([N-][NH+]=C3C=CC(=O)C=C3)sc2c1	ZINC000004832913	170025953	/nfs/dbraw/zinc/02/59/53/170025953.db2.gz	YUDXVPBWWMQYHK-WUKNDPDISA-N	0	1	269.329	4.726	50	10		CJCAMN
Cc1ccc2nc(NN=C3C=CC(=O)C=C3)sc2c1	ZINC000004832913	170025952	/nfs/dbraw/zinc/02/59/52/170025952.db2.gz	YUDXVPBWWMQYHK-WUKNDPDISA-N	0	1	269.329	4.726	50	10		CJCAMN
CCCC[NH+](CCCC)Cc1c([O-])ccc2ccccc21	ZINC000005596412	170117684	/nfs/dbraw/zinc/11/76/84/170117684.db2.gz	BKKFHONHOYFZOP-UHFFFAOYSA-N	0	1	285.431	4.948	50	10		CJCAMN
Cc1ccc(N=Nc2ccc3ccccc3c2O)nc1	ZINC000048523704	567091601	/nfs/dbraw/zinc/09/16/01/567091601.db2.gz	VIUFNNYNVCSUKI-VHEBQXMUSA-N	0	1	263.300	4.664	50	10		CJCAMN
CCN(CC)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1	ZINC000096170990	567909885	/nfs/dbraw/zinc/90/98/85/567909885.db2.gz	OLWAHWGYWVJXHO-UHFFFAOYSA-N	0	1	299.805	4.730	50	10		CJCAMN
O=C1C=Cc2ccccc2C1=NNc1ccccc1[N+](=O)[O-]	ZINC000254824542	566835349	/nfs/dbraw/zinc/83/53/49/566835349.db2.gz	YTVNZOABECTEPK-UHFFFAOYSA-N	0	1	293.282	4.869	50	10		CJCAMN