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	721473839	/nfs/dbraw/zinc/47/38/39/721473839.db2.gz	MIRUOBILDBCHSH-LJQANCHMSA-N	1	1	455.596	2.782	20	70		JFIDMO
O=S(=O)(F)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164753298	720937383	/nfs/dbraw/zinc/93/73/83/720937383.db2.gz	RKTKLWKYZKXLCT-NFBKMPQASA-N	1	1	460.575	2.890	20	70		JFIDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164789326	721473824	/nfs/dbraw/zinc/47/38/24/721473824.db2.gz	MIRUOBILDBCHSH-IBGZPJMESA-N	1	1	455.596	2.782	20	70		JFIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164753304	720939153	/nfs/dbraw/zinc/93/91/53/720939153.db2.gz	RKTKLWKYZKXLCT-OFNKIYASSA-N	1	1	460.575	2.890	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(CC([N@H+](C)Cc4ccncc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164795267	721504460	/nfs/dbraw/zinc/50/44/60/721504460.db2.gz	JBVVPXHJICIDJV-UHFFFAOYSA-N	1	1	462.547	2.802	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(S(=O)(=O)F)c1	ZINC001164795267	721504463	/nfs/dbraw/zinc/50/44/63/721504463.db2.gz	JBVVPXHJICIDJV-UHFFFAOYSA-N	1	1	462.547	2.802	20	70		JFIDMO
O=S(=O)(F)c1ccnc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164753301	720937656	/nfs/dbraw/zinc/93/76/56/720937656.db2.gz	RKTKLWKYZKXLCT-NZQKXSOJSA-N	1	1	460.575	2.890	20	70		JFIDMO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029046	721831616	/nfs/dbraw/zinc/83/16/16/721831616.db2.gz	WQFYBHFRRLXXLB-IPELMVKDSA-N	1	1	462.547	2.658	20	70		JFIDMO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029047	721831874	/nfs/dbraw/zinc/83/18/74/721831874.db2.gz	WQFYBHFRRLXXLB-KFKAGJAMSA-N	1	1	462.547	2.658	20	70		JFIDMO
O=S(=O)(F)c1ccnc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164753619	720937877	/nfs/dbraw/zinc/93/78/77/720937877.db2.gz	RKTKLWKYZKXLCT-REWPJTCUSA-N	1	1	460.575	2.890	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164839019	720729679	/nfs/dbraw/zinc/72/96/79/720729679.db2.gz	ZVCTYLWCOVDZFU-LJQANCHMSA-N	1	1	477.558	2.786	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164839019	720729690	/nfs/dbraw/zinc/72/96/90/720729690.db2.gz	ZVCTYLWCOVDZFU-LJQANCHMSA-N	1	1	477.558	2.786	20	70		JFIDMO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029049	721831941	/nfs/dbraw/zinc/83/19/41/721831941.db2.gz	WQFYBHFRRLXXLB-ZYSHUDEJSA-N	1	1	462.547	2.658	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164838943	720729514	/nfs/dbraw/zinc/72/95/14/720729514.db2.gz	ZVCTYLWCOVDZFU-IBGZPJMESA-N	1	1	477.558	2.786	20	70		JFIDMO
COC(=O)c1cnc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(S(=O)(=O)F)c1	ZINC001164838943	720729518	/nfs/dbraw/zinc/72/95/18/720729518.db2.gz	ZVCTYLWCOVDZFU-IBGZPJMESA-N	1	1	477.558	2.786	20	70		JFIDMO
COC(=O)c1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001165029048	721831779	/nfs/dbraw/zinc/83/17/79/721831779.db2.gz	WQFYBHFRRLXXLB-SNRMKQJTSA-N	1	1	462.547	2.658	20	70		JFIDMO