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(CC1)COCC[N@H+](CC(=O)N(C)C)C2	ZINC001164879040	721293560	/nfs/dbraw/zinc/29/35/60/721293560.db2.gz	UKFFNSPZSGQTDW-UHFFFAOYSA-N	1	1	428.530	1.055	20	70		IDIDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164790033	721467987	/nfs/dbraw/zinc/46/79/87/721467987.db2.gz	QDHXIMIEFQFDHN-KRWDZBQOSA-N	1	1	442.557	1.869	20	70		IDIDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814631	720201286	/nfs/dbraw/zinc/20/12/86/720201286.db2.gz	VLQDENFJBCSCOX-UZLBHIALSA-N	1	1	441.525	1.711	20	70		IDIDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814628	720201393	/nfs/dbraw/zinc/20/13/93/720201393.db2.gz	VLQDENFJBCSCOX-OXJNMPFZSA-N	1	1	441.525	1.711	20	70		IDIDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814626	720201662	/nfs/dbraw/zinc/20/16/62/720201662.db2.gz	VLQDENFJBCSCOX-JXFKEZNVSA-N	1	1	441.525	1.711	20	70		IDIDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164790037	721468226	/nfs/dbraw/zinc/46/82/26/721468226.db2.gz	QDHXIMIEFQFDHN-QGZVFWFLSA-N	1	1	442.557	1.869	20	70		IDIDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814630	720202311	/nfs/dbraw/zinc/20/23/11/720202311.db2.gz	VLQDENFJBCSCOX-OXQOHEQNSA-N	1	1	441.525	1.711	20	70		IDIDMO