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)cnc1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1	ZINC001164719935	720207228	/nfs/dbraw/zinc/20/72/28/720207228.db2.gz	USKUUBFUUDETDH-QGZVFWFLSA-N	1	0	438.529	1.393	20	70		IDIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2	ZINC001164879040	721293556	/nfs/dbraw/zinc/29/35/56/721293556.db2.gz	UKFFNSPZSGQTDW-UHFFFAOYSA-N	1	0	428.530	1.055	20	70		IDIDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164790033	721467984	/nfs/dbraw/zinc/46/79/84/721467984.db2.gz	QDHXIMIEFQFDHN-KRWDZBQOSA-N	1	0	442.557	1.869	20	70		IDIDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814631	720201279	/nfs/dbraw/zinc/20/12/79/720201279.db2.gz	VLQDENFJBCSCOX-UZLBHIALSA-N	1	0	441.525	1.711	20	70		IDIDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814628	720201388	/nfs/dbraw/zinc/20/13/88/720201388.db2.gz	VLQDENFJBCSCOX-OXJNMPFZSA-N	1	0	441.525	1.711	20	70		IDIDRO
COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814626	720201656	/nfs/dbraw/zinc/20/16/56/720201656.db2.gz	VLQDENFJBCSCOX-JXFKEZNVSA-N	1	0	441.525	1.711	20	70		IDIDRO
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(S(=O)(=O)F)nn1)CC2	ZINC001164790037	721468224	/nfs/dbraw/zinc/46/82/24/721468224.db2.gz	QDHXIMIEFQFDHN-QGZVFWFLSA-N	1	0	442.557	1.869	20	70		IDIDRO
COC(=O)c1cnc(-n2nc(CN(C)C(C)C)c3c2C[NH2+]CC3)c(S(=O)(=O)F)c1	ZINC001164681021	719652362	/nfs/dbraw/zinc/65/23/62/719652362.db2.gz	LQRUJDRZQRWVMP-UHFFFAOYSA-N	1	0	425.486	1.198	20	70		IDIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1	ZINC001164719926	720207185	/nfs/dbraw/zinc/20/71/85/720207185.db2.gz	USKUUBFUUDETDH-KRWDZBQOSA-N	1	0	438.529	1.393	20	70		IDIDRO
COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)C2	ZINC001164814630	720202305	/nfs/dbraw/zinc/20/23/05/720202305.db2.gz	VLQDENFJBCSCOX-OXQOHEQNSA-N	1	0	441.525	1.711	20	70		IDIDRO