smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941608	212337272	/nfs/dbraw/zinc/33/72/72/212337272.db2.gz	HJBNEXUPHCOXDH-UFYCRDLUSA-N	2	2	328.887	4.956	1	0		EJAFLP
CCC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941608	212337273	/nfs/dbraw/zinc/33/72/73/212337273.db2.gz	HJBNEXUPHCOXDH-UFYCRDLUSA-N	2	2	328.887	4.956	1	0		EJAFLP
Cc1ccc([C@H]([NH3+])[C@@H]2CC[N@@H+]2C(c2ccccc2)c2ccccc2)cc1	ZINC000022941561	212337456	/nfs/dbraw/zinc/33/74/56/212337456.db2.gz	RKLNXNIBPFCLCX-GOTSBHOMSA-N	2	2	342.486	4.859	1	0		EJAFLP
Cc1ccc([C@H]([NH3+])[C@@H]2CC[N@H+]2C(c2ccccc2)c2ccccc2)cc1	ZINC000022941561	212337459	/nfs/dbraw/zinc/33/74/59/212337459.db2.gz	RKLNXNIBPFCLCX-GOTSBHOMSA-N	2	2	342.486	4.859	1	0		EJAFLP
CC(C)(C)c1ccc(SC[C@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)cc1	ZINC000064553534	214791295	/nfs/dbraw/zinc/79/12/95/214791295.db2.gz	VGVKTKUHIJKMHS-SFHVURJKSA-N	2	2	343.540	4.583	1	0		EJAFLP
CC(C)(C)c1ccc(SC[C@H](c2c[nH+]c[nH]2)C2CC[NH2+]CC2)cc1	ZINC000064553534	214791298	/nfs/dbraw/zinc/79/12/98/214791298.db2.gz	VGVKTKUHIJKMHS-SFHVURJKSA-N	2	2	343.540	4.583	1	0		EJAFLP
Cc1ccc(-c2ccc3cc(CC[N@H+]4CCC[C@H]4C)ccc3n2)c(C)[nH+]1	ZINC000038894426	213229926	/nfs/dbraw/zinc/22/99/26/213229926.db2.gz	JOIFHKHDGMJBSY-QGZVFWFLSA-N	2	2	345.490	4.940	1	0		EJAFLP
Cc1ccc(-c2ccc3cc(CC[N@@H+]4CCC[C@H]4C)ccc3n2)c(C)[nH+]1	ZINC000038894426	213229928	/nfs/dbraw/zinc/22/99/28/213229928.db2.gz	JOIFHKHDGMJBSY-QGZVFWFLSA-N	2	2	345.490	4.940	1	0		EJAFLP
Cc1cccc([C@H]([NH3+])[C@@H]2CC[N@@H+]2C(c2ccccc2)c2ccccc2)c1	ZINC000022941685	212337984	/nfs/dbraw/zinc/33/79/84/212337984.db2.gz	LUWGCYQSRWNWDN-GOTSBHOMSA-N	2	2	342.486	4.859	1	0		EJAFLP
Cc1cccc([C@H]([NH3+])[C@@H]2CC[N@H+]2C(c2ccccc2)c2ccccc2)c1	ZINC000022941685	212337986	/nfs/dbraw/zinc/33/79/86/212337986.db2.gz	LUWGCYQSRWNWDN-GOTSBHOMSA-N	2	2	342.486	4.859	1	0		EJAFLP
CCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941611	212337576	/nfs/dbraw/zinc/33/75/76/212337576.db2.gz	HJBNEXUPHCOXDH-HSALFYBXSA-N	2	2	328.887	4.956	1	0		EJAFLP
CCC[C@H](c1ccccc1)[N@H+]1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941611	212337577	/nfs/dbraw/zinc/33/75/77/212337577.db2.gz	HJBNEXUPHCOXDH-HSALFYBXSA-N	2	2	328.887	4.956	1	0		EJAFLP
CCC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941614	212337503	/nfs/dbraw/zinc/33/75/03/212337503.db2.gz	HJBNEXUPHCOXDH-SLFFLAALSA-N	2	2	328.887	4.956	1	0		EJAFLP
CCC[C@@H](c1ccccc1)[N@H+]1CC[C@H]1[C@H]([NH3+])c1cccc(Cl)c1	ZINC000022941614	212337508	/nfs/dbraw/zinc/33/75/08/212337508.db2.gz	HJBNEXUPHCOXDH-SLFFLAALSA-N	2	2	328.887	4.956	1	0		EJAFLP
CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]C1CC[NH+](Cc3ccccc3F)CC1)C2	ZINC000040894967	213398382	/nfs/dbraw/zinc/39/83/82/213398382.db2.gz	IGYNDVNFAXCKFQ-ZNLUXHQJSA-N	2	2	344.518	4.595	1	0		EJAFLP
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C2	ZINC000103238155	219273549	/nfs/dbraw/zinc/27/35/49/219273549.db2.gz	NIYGPRSVPKAIKA-WOZUAGRISA-N	2	2	340.898	4.644	1	0		EJAFLP
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H](c1ccccc1)c1ccc(Cl)cc1)C2	ZINC000103238155	219273552	/nfs/dbraw/zinc/27/35/52/219273552.db2.gz	NIYGPRSVPKAIKA-WOZUAGRISA-N	2	2	340.898	4.644	1	0		EJAFLP
CCC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941605	212338042	/nfs/dbraw/zinc/33/80/42/212338042.db2.gz	HJBNEXUPHCOXDH-AABGKKOBSA-N	2	2	328.887	4.956	1	0		EJAFLP
CCC[C@H](c1ccccc1)[N@H+]1CC[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1	ZINC000022941605	212338044	/nfs/dbraw/zinc/33/80/44/212338044.db2.gz	HJBNEXUPHCOXDH-AABGKKOBSA-N	2	2	328.887	4.956	1	0		EJAFLP
[NH3+][C@@H](c1cccc(F)c1)[C@@H]1CC[N@@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941552	212337774	/nfs/dbraw/zinc/33/77/74/212337774.db2.gz	JQJQPLYCAMQPAS-VXKWHMMOSA-N	2	2	346.449	4.689	1	0		EJAFLP
[NH3+][C@@H](c1cccc(F)c1)[C@@H]1CC[N@H+]1C(c1ccccc1)c1ccccc1	ZINC000022941552	212337777	/nfs/dbraw/zinc/33/77/77/212337777.db2.gz	JQJQPLYCAMQPAS-VXKWHMMOSA-N	2	2	346.449	4.689	1	0		EJAFLP
Cc1ccccc1-c1cc2ccccc2c(N[C@H]2CC[C@H]([NH3+])CC2)[nH+]1	ZINC000101763271	219162402	/nfs/dbraw/zinc/16/24/02/219162402.db2.gz	GPWUBYDHGILVKD-HDICACEKSA-N	2	2	331.463	4.892	1	0		EJAFLP