smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)(F)c1ccnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1	ZINC001164679101	719533426	/nfs/dbraw/zinc/53/34/26/719533426.db2.gz	SETGNKBSAIGJOX-UHFFFAOYSA-N	0	0	423.485	2.750	20	70		HFIDRN
Cc1ccc(CN2CCOC3(CCN(c4cc(S(=O)(=O)F)ccn4)CC3)C2)cc1	ZINC001164943060	721933668	/nfs/dbraw/zinc/93/36/68/721933668.db2.gz	NIOJSNXYGBHHPB-UHFFFAOYSA-N	0	0	419.522	2.920	20	70		HFIDRN
Cc1nc(CN2CCCC23CCN(c2ccc(S(=O)(=O)F)nn2)CC3)cs1	ZINC001164692661	719814186	/nfs/dbraw/zinc/81/41/86/719814186.db2.gz	QWOLQOVKLIERCS-UHFFFAOYSA-N	0	0	411.528	2.535	20	70		HFIDRN
O=S(=O)(F)c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1	ZINC001164707339	719910284	/nfs/dbraw/zinc/91/02/84/719910284.db2.gz	POKDGIAJYBVCIN-UHFFFAOYSA-N	0	0	411.524	2.673	20	70		HFIDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164910522	721766499	/nfs/dbraw/zinc/76/64/99/721766499.db2.gz	HLCHXBSTDDESLZ-UHFFFAOYSA-N	0	0	416.478	2.923	20	70		HFIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164904842	721567129	/nfs/dbraw/zinc/56/71/29/721567129.db2.gz	FZZBBKUEXQMKCD-NVXWUHKLSA-N	0	0	409.458	2.529	20	70		HFIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904837	721567048	/nfs/dbraw/zinc/56/70/48/721567048.db2.gz	FZZBBKUEXQMKCD-DOTOQJQBSA-N	0	0	409.458	2.529	20	70		HFIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164905280	721567206	/nfs/dbraw/zinc/56/72/06/721567206.db2.gz	FZZBBKUEXQMKCD-WBVHZDCISA-N	0	0	409.458	2.529	20	70		HFIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164904845	721567186	/nfs/dbraw/zinc/56/71/86/721567186.db2.gz	FZZBBKUEXQMKCD-RDJZCZTQSA-N	0	0	409.458	2.529	20	70		HFIDRN
COc1cccc(OC)c1CN1CCC(N(C)c2cc(S(=O)(=O)F)ccn2)CC1	ZINC001165029825	721845172	/nfs/dbraw/zinc/84/51/72/721845172.db2.gz	FJPHONBVKDKMDS-UHFFFAOYSA-N	0	0	423.510	2.858	20	70		HFIDRN