smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[NH+](CCC)[C@@H]1C[C@@H]1c1ccc(O)c(O)c1	ZINC000028101713	169151041	/nfs/dbraw/zinc/15/10/41/169151041.db2.gz	ZNIVTMQTBWVPHZ-CHWSQXEVSA-N	1	0	249.354	3.076	1	10		BGCFRO
CCC[NH+](CCC)[C@@H]1C[C@H]1c1ccc(O)c(O)c1	ZINC000028101724	169150062	/nfs/dbraw/zinc/15/00/62/169150062.db2.gz	ZNIVTMQTBWVPHZ-QWHCGFSZSA-N	1	0	249.354	3.076	1	10		BGCFRO
CCC[NH+](CCC)[C@H]1C[C@H]1c1ccc(O)c(O)c1	ZINC000028101729	169151910	/nfs/dbraw/zinc/15/19/10/169151910.db2.gz	ZNIVTMQTBWVPHZ-STQMWFEESA-N	1	0	249.354	3.076	1	10		BGCFRO
S=C(C[NH2+]C1CCCCC1)C1CCCC1	ZINC000028107674	187255825	/nfs/dbraw/zinc/25/58/25/187255825.db2.gz	HJCKTVNCERUFJU-UHFFFAOYSA-N	1	0	225.401	3.469	1	10		BGCFRO
S=C(C[NH2+]Cc1ccccc1)C1CCCC1	ZINC000028107678	187256029	/nfs/dbraw/zinc/25/60/29/187256029.db2.gz	BTGVTXPJCQOOSL-UHFFFAOYSA-N	1	0	233.380	3.336	1	10		BGCFRO
N#[N+]C1=C2C=CCC=C2c2cccc(Cl)c21	ZINC000040568517	183316934	/nfs/dbraw/zinc/31/69/34/183316934.db2.gz	YJWQUBSZMXSYCZ-UHFFFAOYSA-N	1	0	226.666	3.388	1	10		BGCFRO
N#[N+]C1=C2C=CCC=C2c2c1cccc2Cl	ZINC000040575469	183317001	/nfs/dbraw/zinc/31/70/01/183317001.db2.gz	YJZSRPVFVFIMLN-UHFFFAOYSA-N	1	0	226.666	3.388	1	10		BGCFRO
Cc1cc(O)c(C[NH2+]C2CCCCC2)cc1C	ZINC000045226793	178197326	/nfs/dbraw/zinc/19/73/26/178197326.db2.gz	LWDYHGXBSGASTO-UHFFFAOYSA-N	1	0	233.355	3.431	1	10		BGCFRO
COc1ccc2[nH+]c3ccc(C)cc3c(N)c2c1	ZINC000058583620	175230053	/nfs/dbraw/zinc/23/00/53/175230053.db2.gz	MJYCJCQCLCUISY-UHFFFAOYSA-N	1	0	238.290	3.287	1	10		BGCFRO
Cc1cccc(N[N+](=O)c2cccc(C)n2)n1	ZINC000061943163	179003558	/nfs/dbraw/zinc/00/35/58/179003558.db2.gz	ZNUIAWSUXOFEIT-NXVVXOECSA-N	1	0	228.255	3.019	1	10		BGCFRO
Cc1cccc(N[N+](=O)c2cccc(C)n2)n1	ZINC000102816651	179003168	/nfs/dbraw/zinc/00/31/68/179003168.db2.gz	ZNUIAWSUXOFEIT-FOCLMDBBSA-N	1	0	228.255	3.019	1	10		BGCFRO
Cc1cccc(N[N+](=O)c2cccc(C)n2)n1	ZINC000195374497	187316058	/nfs/dbraw/zinc/31/60/58/187316058.db2.gz	ZNUIAWSUXOFEIT-UHFFFAOYSA-N	1	0	228.255	3.019	3	10		BGCFRO