smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCCN1CCCN(CCC[NH3+])CC1	ZINC000022938127	181381502	/nfs/dbraw/zinc/38/15/02/181381502.db2.gz	XYUCARGKJNKODR-UHFFFAOYSA-N	2	3	214.357	-0.308	10	0		BBAEHP
O[C@@H]1CNC[C@H]1C[NH2+]CC1CC[NH2+]CC1	ZINC000309531314	487716454	/nfs/dbraw/zinc/71/64/54/487716454.db2.gz	WAZCADOVYCMCCR-GHMZBOCLSA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@@H]1C[NH2+]C[C@H]1CNCC1CC[NH2+]CC1	ZINC000309531314	487716449	/nfs/dbraw/zinc/71/64/49/487716449.db2.gz	WAZCADOVYCMCCR-GHMZBOCLSA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@H]1CNC[C@H]1C[NH2+]CC1CC[NH2+]CC1	ZINC000309531316	411165456	/nfs/dbraw/zinc/16/54/56/411165456.db2.gz	WAZCADOVYCMCCR-MNOVXSKESA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@H]1C[NH2+]C[C@H]1CNCC1CC[NH2+]CC1	ZINC000309531316	411165452	/nfs/dbraw/zinc/16/54/52/411165452.db2.gz	WAZCADOVYCMCCR-MNOVXSKESA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@H]1CNC[C@@H]1C[NH2+]CC1CC[NH2+]CC1	ZINC000309531318	411165530	/nfs/dbraw/zinc/16/55/30/411165530.db2.gz	WAZCADOVYCMCCR-QWRGUYRKSA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@H]1C[NH2+]C[C@@H]1CNCC1CC[NH2+]CC1	ZINC000309531318	411165525	/nfs/dbraw/zinc/16/55/25/411165525.db2.gz	WAZCADOVYCMCCR-QWRGUYRKSA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@@H]1CNC[C@@H]1C[NH2+]CC1CC[NH2+]CC1	ZINC000309531320	411165128	/nfs/dbraw/zinc/16/51/28/411165128.db2.gz	WAZCADOVYCMCCR-WDEREUQCSA-N	2	3	213.325	-0.844	10	0		BBAEHP
O[C@@H]1C[NH2+]C[C@@H]1CNCC1CC[NH2+]CC1	ZINC000309531320	411165124	/nfs/dbraw/zinc/16/51/24/411165124.db2.gz	WAZCADOVYCMCCR-WDEREUQCSA-N	2	3	213.325	-0.844	10	0		BBAEHP
[NH3+]CCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000390495676	357097012	/nfs/dbraw/zinc/09/70/12/357097012.db2.gz	RUZQCJGFQYSVEP-AXFHLTTASA-N	2	3	213.325	-0.369	10	0		BBAEHP
[NH3+]CCOCCN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000390495678	357096552	/nfs/dbraw/zinc/09/65/52/357096552.db2.gz	RUZQCJGFQYSVEP-DCAQKATOSA-N	2	3	213.325	-0.369	10	0		BBAEHP
[NH3+]CCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000390495680	357096832	/nfs/dbraw/zinc/09/68/32/357096832.db2.gz	RUZQCJGFQYSVEP-GARJFASQSA-N	2	3	213.325	-0.369	10	0		BBAEHP
[NH3+]CCOCCN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000390495682	357096485	/nfs/dbraw/zinc/09/64/85/357096485.db2.gz	RUZQCJGFQYSVEP-HBNTYKKESA-N	2	3	213.325	-0.369	10	0		BBAEHP
[NH3+]CCC[C@@H](C(=O)[O-])N(CCC[NH3+])CCC[NH3+]	ZINC000584643727	358328348	/nfs/dbraw/zinc/32/83/48/358328348.db2.gz	XWKYKWUPMWQYHF-JTQLQIEISA-N	2	3	246.355	-0.822	10	0		BBAEHP