smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1	ZINC001164963450	722024977	/nfs/dbraw/zinc/02/49/77/722024977.db2.gz	UFFKKUPZCSDRSW-UHFFFAOYSA-N	1	1	404.511	2.936	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164843639	720648976	/nfs/dbraw/zinc/64/89/76/720648976.db2.gz	WUBFWOUEWBIPHY-ZIFCJYIRSA-N	1	1	421.542	2.623	20	70		HFIDMO
C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164836870	720729362	/nfs/dbraw/zinc/72/93/62/720729362.db2.gz	GVLNBDZCJUAZDJ-SFHVURJKSA-N	1	1	419.522	3.000	20	70		HFIDMO
C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164910522	721766500	/nfs/dbraw/zinc/76/65/00/721766500.db2.gz	HLCHXBSTDDESLZ-UHFFFAOYSA-N	1	1	416.478	2.923	20	70		HFIDMO
C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164910522	721766502	/nfs/dbraw/zinc/76/65/02/721766502.db2.gz	HLCHXBSTDDESLZ-UHFFFAOYSA-N	1	1	416.478	2.923	20	70		HFIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21	ZINC001165030185	721831625	/nfs/dbraw/zinc/83/16/25/721831625.db2.gz	YKWSVFQBTCXZHT-KFKAGJAMSA-N	1	1	404.511	2.872	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164843637	720649600	/nfs/dbraw/zinc/64/96/00/720649600.db2.gz	WUBFWOUEWBIPHY-YQVWRLOYSA-N	1	1	421.542	2.623	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164904842	721567133	/nfs/dbraw/zinc/56/71/33/721567133.db2.gz	FZZBBKUEXQMKCD-NVXWUHKLSA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164904842	721567137	/nfs/dbraw/zinc/56/71/37/721567137.db2.gz	FZZBBKUEXQMKCD-NVXWUHKLSA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904837	721567053	/nfs/dbraw/zinc/56/70/53/721567053.db2.gz	FZZBBKUEXQMKCD-DOTOQJQBSA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904837	721567059	/nfs/dbraw/zinc/56/70/59/721567059.db2.gz	FZZBBKUEXQMKCD-DOTOQJQBSA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164905280	721567209	/nfs/dbraw/zinc/56/72/09/721567209.db2.gz	FZZBBKUEXQMKCD-WBVHZDCISA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164905280	721567211	/nfs/dbraw/zinc/56/72/11/721567211.db2.gz	FZZBBKUEXQMKCD-WBVHZDCISA-N	1	1	409.458	2.529	20	70		HFIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21	ZINC001165030184	721831885	/nfs/dbraw/zinc/83/18/85/721831885.db2.gz	YKWSVFQBTCXZHT-AYOQOUSVSA-N	1	1	404.511	2.872	20	70		HFIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21	ZINC001165030186	721831721	/nfs/dbraw/zinc/83/17/21/721831721.db2.gz	YKWSVFQBTCXZHT-ZYSHUDEJSA-N	1	1	404.511	2.872	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904845	721567188	/nfs/dbraw/zinc/56/71/88/721567188.db2.gz	FZZBBKUEXQMKCD-RDJZCZTQSA-N	1	1	409.458	2.529	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904845	721567190	/nfs/dbraw/zinc/56/71/90/721567190.db2.gz	FZZBBKUEXQMKCD-RDJZCZTQSA-N	1	1	409.458	2.529	20	70		HFIDMO
C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164836869	720729185	/nfs/dbraw/zinc/72/91/85/720729185.db2.gz	GVLNBDZCJUAZDJ-GOSISDBHSA-N	1	1	419.522	3.000	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164843638	720650188	/nfs/dbraw/zinc/65/01/88/720650188.db2.gz	WUBFWOUEWBIPHY-ZHALLVOQSA-N	1	1	421.542	2.623	20	70		HFIDMO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@@H+]2C(C)C)C1	ZINC001164843636	720650646	/nfs/dbraw/zinc/65/06/46/720650646.db2.gz	WUBFWOUEWBIPHY-JENIJYKNSA-N	1	1	421.542	2.623	20	70		HFIDMO
C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21	ZINC001165030183	721831856	/nfs/dbraw/zinc/83/18/56/721831856.db2.gz	YKWSVFQBTCXZHT-ATZDWAIDSA-N	1	1	404.511	2.872	20	70		HFIDMO