smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]Cc1cc(C(C)(C)C)ccc1O	1679615	168015741	/nfs/dbraw/zinc/01/57/41/168015741.db2.gz	DYHJYZGLDKXVEK-UHFFFAOYSA-N	1	0	193.290	2.409	40	10		AECBRO
C[NH2+]Cc1c(O)ccc2ccccc12	1679612	168016996	/nfs/dbraw/zinc/01/69/96/168016996.db2.gz	GNDLETZYLAVKLN-UHFFFAOYSA-N	1	0	187.242	2.265	40	10		AECBRO
C[C@@H]([NH3+])c1cc(Cl)ccc1O	24863133	168370497	/nfs/dbraw/zinc/37/04/97/168370497.db2.gz	IHDFZQZUBQSKDM-RXMQYKEDSA-N	1	0	171.627	2.065	40	10		AECBRO
C[C@H]([NH3+])c1cc(Cl)ccc1O	24863137	168554922	/nfs/dbraw/zinc/55/49/22/168554922.db2.gz	IHDFZQZUBQSKDM-YFKPBYRVSA-N	1	0	171.627	2.065	40	10		AECBRO
CC[C@H](C)[NH2+]Cc1ccccc1O	19881985	343063337	/nfs/dbraw/zinc/06/33/37/343063337.db2.gz	ONQMUHBNFZZQBC-VIFPVBQESA-N	1	0	179.263	2.280	40	10		AECBRO
Cc1ccc(C[NH3+])n1-c1ccccc1	82887861	343615231	/nfs/dbraw/zinc/61/52/31/343615231.db2.gz	ZRFXCEVHNVRVQI-UHFFFAOYSA-N	1	0	186.258	2.244	40	10		AECBRO
CC(C)C[NH2+]Cc1ccccc1O	19882994	351396485	/nfs/dbraw/zinc/39/64/85/351396485.db2.gz	JOCNIZRVUCZKHD-UHFFFAOYSA-N	1	0	179.263	2.138	40	10		AECBRO
CC[C@@H](C)[NH2+]Cc1ccccc1O	19881983	351397108	/nfs/dbraw/zinc/39/71/08/351397108.db2.gz	ONQMUHBNFZZQBC-SECBINFHSA-N	1	0	179.263	2.280	40	10		AECBRO