smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)/[N+](O)=N/OCOC	1535783	167160871	/nfs/dbraw/zinc/16/08/71/167160871.db2.gz	MOBRKEKGWCQYHC-CLFYSBASSA-N	1	0	177.204	0.741	1	10		ACCFRO
CCN(CC)/[N+](O)=N/OC[C@@H](C)O	1535779	167161497	/nfs/dbraw/zinc/16/14/97/167161497.db2.gz	SEJJLCNXRRIDAN-JAGWFPCYSA-N	1	0	191.231	0.518	1	10		ACCFRO
CCN(CC)/[N+](O)=N/OC[C@H](C)O	1624079	167162035	/nfs/dbraw/zinc/16/20/35/167162035.db2.gz	SEJJLCNXRRIDAN-SGXDDJEGSA-N	1	0	191.231	0.518	1	10		ACCFRO
CCN(CC)/[N+](O)=N/OC	15795	167162108	/nfs/dbraw/zinc/16/21/08/167162108.db2.gz	RRVPABSEZXWXNU-VURMDHGXSA-N	1	0	147.178	0.767	1	10		ACCFRO
C[O+]=NN(O)NC(C)C	1633548	168075609	/nfs/dbraw/zinc/07/56/09/168075609.db2.gz	ABPPGZXBYYLLGF-UHFFFAOYSA-N	1	0	133.151	0.423	1	10		ACCFRO
[NH3+]C[C@H](O)c1cc(O)c(O)cc1[18F]	101333769	169214444	/nfs/dbraw/zinc/21/44/44/169214444.db2.gz	SBUQBFTXTZSRMH-IVZZWMHESA-N	1	0	186.173	0.229	1	10		ACCFRO
N#[N+]CC(=O)OC1CCOCC1	5541778	171017728	/nfs/dbraw/zinc/01/77/28/171017728.db2.gz	YDWUKWCUOJKCJG-UHFFFAOYSA-N	1	0	170.168	0.009	1	10		ACCFRO
C[N+](=N)O	100507078	343718224	/nfs/dbraw/zinc/71/82/24/343718224.db2.gz	HRDGEWPVEIMFFY-UHFFFAOYSA-N	1	0	60.056	0.157	1	10		ACCFRO