smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCCNC2)CC1	ZINC000013836726	563001638	/nfs/dbraw/zinc/00/16/38/563001638.db2.gz	CJYHMAQOCUSYCD-DEOSSOPVSA-N	2	3	450.671	3.580	1	0		JHAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029048620	563092674	/nfs/dbraw/zinc/09/26/74/563092674.db2.gz	QLHTZJRLRFVVPS-MUHPNKRVSA-N	3	3	476.794	3.888	1	0		JHAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029049125	563092746	/nfs/dbraw/zinc/09/27/46/563092746.db2.gz	NEFGJLSHHZIGIH-MUHPNKRVSA-N	2	3	477.778	3.921	1	0		JHAFHP
C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H]([NH3+])C[C@H]4C[C@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000029048701	563092706	/nfs/dbraw/zinc/09/27/06/563092706.db2.gz	QLHTZJRLRFVVPS-GGBKSGMNSA-N	3	3	476.794	3.888	1	0		JHAFHP
C[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@H]4C[C@@H]([NH2+]CCCNCCCC[NH3+])CC[C@]4(C)[C@H]3CC[C@]12C	ZINC000028705444	563075365	/nfs/dbraw/zinc/07/53/65/563075365.db2.gz	NEFGJLSHHZIGIH-KYKSMWCUSA-N	2	3	477.778	3.921	1	0		JHAFHP
NCCC[N@H+](CCCC[NH+](CCCNC(N)=[NH2+])CCCc1ccccc1)CCCc1ccccc1	ZINC000040566038	563145734	/nfs/dbraw/zinc/14/57/34/563145734.db2.gz	HGOGZVABNJIPAA-UHFFFAOYSA-N	3	3	480.745	3.858	1	0		JHAFHP
NCCC[N@@H+](CCCC[NH+](CCCNC(N)=[NH2+])CCCc1ccccc1)CCCc1ccccc1	ZINC000040566038	563145735	/nfs/dbraw/zinc/14/57/35/563145735.db2.gz	HGOGZVABNJIPAA-UHFFFAOYSA-N	3	3	480.745	3.858	1	0		JHAFHP
NCCC[NH+](CCCC[N@H+](CCCNC(N)=[NH2+])CCCc1ccccc1)CCCc1ccccc1	ZINC000040566038	563145736	/nfs/dbraw/zinc/14/57/36/563145736.db2.gz	HGOGZVABNJIPAA-UHFFFAOYSA-N	3	3	480.745	3.858	1	0		JHAFHP
NCCC[NH+](CCCC[N@@H+](CCCNC(N)=[NH2+])CCCc1ccccc1)CCCc1ccccc1	ZINC000040566038	563145737	/nfs/dbraw/zinc/14/57/37/563145737.db2.gz	HGOGZVABNJIPAA-UHFFFAOYSA-N	3	3	480.745	3.858	1	0		JHAFHP
Oc1ccc(CNCCC[NH2+]CCCCCCC[NH2+]CCCNCc2ccc(O)cc2)cc1	ZINC000027652406	563048690	/nfs/dbraw/zinc/04/86/90/563048690.db2.gz	BMOQIXMERLLWFP-UHFFFAOYSA-N	2	3	456.675	3.887	1	0		JHAFHP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCCNC[C@H]2CCCC[NH2+]2)CC1	ZINC000038167547	563133041	/nfs/dbraw/zinc/13/30/41/563133041.db2.gz	VHYIHTASZAJAPP-AREMUKBSSA-N	2	3	450.671	3.722	1	0		JHAFHP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCC[NH2+]C[C@H]2CCCNC2)CC1	ZINC000013836727	563001590	/nfs/dbraw/zinc/00/15/90/563001590.db2.gz	CJYHMAQOCUSYCD-XMMPIXPASA-N	2	3	450.671	3.580	1	0		JHAFHP
O=C(Cc1cccc2ccccc21)N1CCC(C[NH2+]CCCCNC[C@@H]2CCCC[NH2+]2)CC1	ZINC000038167546	563133024	/nfs/dbraw/zinc/13/30/24/563133024.db2.gz	VHYIHTASZAJAPP-SANMLTNESA-N	2	3	450.671	3.722	1	0		JHAFHP