smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164789331	721473838	/nfs/dbraw/zinc/47/38/38/721473838.db2.gz	MIRUOBILDBCHSH-LJQANCHMSA-N	1	0	455.596	2.782	20	70		JFIDRO
O=S(=O)(F)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164753298	720937375	/nfs/dbraw/zinc/93/73/75/720937375.db2.gz	RKTKLWKYZKXLCT-NFBKMPQASA-N	1	0	460.575	2.890	20	70		JFIDRO
COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164789326	721473823	/nfs/dbraw/zinc/47/38/23/721473823.db2.gz	MIRUOBILDBCHSH-IBGZPJMESA-N	1	0	455.596	2.782	20	70		JFIDRO
O=S(=O)(F)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164753304	720939144	/nfs/dbraw/zinc/93/91/44/720939144.db2.gz	RKTKLWKYZKXLCT-OFNKIYASSA-N	1	0	460.575	2.890	20	70		JFIDRO
O=S(=O)(F)c1ccnc(N2CC[C@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164753301	720937650	/nfs/dbraw/zinc/93/76/50/720937650.db2.gz	RKTKLWKYZKXLCT-NZQKXSOJSA-N	1	0	460.575	2.890	20	70		JFIDRO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029046	721831613	/nfs/dbraw/zinc/83/16/13/721831613.db2.gz	WQFYBHFRRLXXLB-IPELMVKDSA-N	1	0	462.547	2.658	20	70		JFIDRO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029047	721831873	/nfs/dbraw/zinc/83/18/73/721831873.db2.gz	WQFYBHFRRLXXLB-KFKAGJAMSA-N	1	0	462.547	2.658	20	70		JFIDRO
O=S(=O)(F)c1ccnc(N2CC[C@@]3(C2)C[N@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164753619	720937864	/nfs/dbraw/zinc/93/78/64/720937864.db2.gz	RKTKLWKYZKXLCT-REWPJTCUSA-N	1	0	460.575	2.890	20	70		JFIDRO
C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3cc(S(=O)(=O)F)ccn3)CC2)c2ccccc21	ZINC001164684367	719684120	/nfs/dbraw/zinc/68/41/20/719684120.db2.gz	IFUARABXMXNCPU-SFHVURJKSA-N	1	0	474.602	2.833	20	70		JFIDRO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029049	721831940	/nfs/dbraw/zinc/83/19/40/721831940.db2.gz	WQFYBHFRRLXXLB-ZYSHUDEJSA-N	1	0	462.547	2.658	20	70		JFIDRO
C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3cc(S(=O)(=O)F)ccn3)CC2)c2ccccc21	ZINC001164684363	719684150	/nfs/dbraw/zinc/68/41/50/719684150.db2.gz	IFUARABXMXNCPU-GOSISDBHSA-N	1	0	474.602	2.833	20	70		JFIDRO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029048	721831777	/nfs/dbraw/zinc/83/17/77/721831777.db2.gz	WQFYBHFRRLXXLB-SNRMKQJTSA-N	1	0	462.547	2.658	20	70		JFIDRO