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	722024975	/nfs/dbraw/zinc/02/49/75/722024975.db2.gz	UFFKKUPZCSDRSW-UHFFFAOYSA-N	1	0	404.511	2.936	20	70		HFIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164843639	720648962	/nfs/dbraw/zinc/64/89/62/720648962.db2.gz	WUBFWOUEWBIPHY-ZIFCJYIRSA-N	1	0	421.542	2.623	20	70		HFIDRO
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164836870	720729352	/nfs/dbraw/zinc/72/93/52/720729352.db2.gz	GVLNBDZCJUAZDJ-SFHVURJKSA-N	1	0	419.522	3.000	20	70		HFIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21	ZINC001165030185	721831624	/nfs/dbraw/zinc/83/16/24/721831624.db2.gz	YKWSVFQBTCXZHT-KFKAGJAMSA-N	1	0	404.511	2.872	20	70		HFIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164843637	720649592	/nfs/dbraw/zinc/64/95/92/720649592.db2.gz	WUBFWOUEWBIPHY-YQVWRLOYSA-N	1	0	421.542	2.623	20	70		HFIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21	ZINC001165030184	721831883	/nfs/dbraw/zinc/83/18/83/721831883.db2.gz	YKWSVFQBTCXZHT-AYOQOUSVSA-N	1	0	404.511	2.872	20	70		HFIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@@H]21	ZINC001165030186	721831718	/nfs/dbraw/zinc/83/17/18/721831718.db2.gz	YKWSVFQBTCXZHT-ZYSHUDEJSA-N	1	0	404.511	2.872	20	70		HFIDRO
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1cc(S(=O)(=O)F)ccn1)CC2	ZINC001164836869	720729176	/nfs/dbraw/zinc/72/91/76/720729176.db2.gz	GVLNBDZCJUAZDJ-GOSISDBHSA-N	1	0	419.522	3.000	20	70		HFIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164843638	720650177	/nfs/dbraw/zinc/65/01/77/720650177.db2.gz	WUBFWOUEWBIPHY-ZHALLVOQSA-N	1	0	421.542	2.623	20	70		HFIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164843636	720650644	/nfs/dbraw/zinc/65/06/44/720650644.db2.gz	WUBFWOUEWBIPHY-JENIJYKNSA-N	1	0	421.542	2.623	20	70		HFIDRO
C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3cc(S(=O)(=O)F)ccn3)C[C@H]21	ZINC001165030183	721831854	/nfs/dbraw/zinc/83/18/54/721831854.db2.gz	YKWSVFQBTCXZHT-ATZDWAIDSA-N	1	0	404.511	2.872	20	70		HFIDRO