smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(O)c(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932672	556675970	/nfs/dbraw/zinc/67/59/70/556675970.db2.gz	VAQHIDREUNSPAQ-SANMLTNESA-N	2	1	438.612	4.602	50	10		IJCAMP
CCOc1cccc(C[N@@H+](CC)C[C@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812771	562979284	/nfs/dbraw/zinc/97/92/84/562979284.db2.gz	ZRWDGOQXUOJAHZ-JOCHJYFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
CCOc1cccc(C[NH+](CC)C[C@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812771	562979285	/nfs/dbraw/zinc/97/92/85/562979285.db2.gz	ZRWDGOQXUOJAHZ-JOCHJYFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
CCOc1cccc(C[NH+](CC)C[C@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812771	562979286	/nfs/dbraw/zinc/97/92/86/562979286.db2.gz	ZRWDGOQXUOJAHZ-JOCHJYFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
CCN(Cc1ccccc1)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1	ZINC000023866349	557121517	/nfs/dbraw/zinc/12/15/17/557121517.db2.gz	RZLARJGKLZDKIP-UHFFFAOYSA-N	2	1	429.608	4.835	50	10		IJCAMP
CCOc1cccc(C[N@@H+](CC)C[C@@H]2CCC[NH+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812769	562979313	/nfs/dbraw/zinc/97/93/13/562979313.db2.gz	ZRWDGOQXUOJAHZ-QFIPXVFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
CCOc1cccc(C[NH+](CC)C[C@@H]2CCC[N@H+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812769	562979314	/nfs/dbraw/zinc/97/93/14/562979314.db2.gz	ZRWDGOQXUOJAHZ-QFIPXVFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
CCOc1cccc(C[NH+](CC)C[C@@H]2CCC[N@@H+](CCc3cccc(OC)c3)C2)c1O	ZINC000011812769	562979315	/nfs/dbraw/zinc/97/93/15/562979315.db2.gz	ZRWDGOQXUOJAHZ-QFIPXVFZSA-N	2	1	426.601	4.576	50	10		IJCAMP
COc1ccc(O)c(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH+](Cc3ccccc3C)CC2)c1	ZINC000011932673	556676001	/nfs/dbraw/zinc/67/60/01/556676001.db2.gz	VAQHIDREUNSPAQ-AREMUKBSSA-N	2	1	438.612	4.602	50	10		IJCAMP