smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)OC)cc1S(=O)(=O)F)CC2	ZINC001164691092	719754767	/nfs/dbraw/zinc/75/47/67/719754767.db2.gz	LGCMGCZZCKIFMO-UHFFFAOYSA-N	0	0	428.486	0.707	20	70		ICIDRN
Cc1cc(S(=O)(=O)F)cnc1N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1	ZINC001164712071	720049691	/nfs/dbraw/zinc/04/96/91/720049691.db2.gz	JNBLTTJJWPYSGA-UHFFFAOYSA-N	0	0	436.513	0.732	20	70		ICIDRN
COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164745493	720805122	/nfs/dbraw/zinc/80/51/22/720805122.db2.gz	KPPHOABKVDMZQV-KBPBESRZSA-N	0	0	437.453	0.658	20	70		ICIDRN
COC(=O)c1cnc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164745497	720805428	/nfs/dbraw/zinc/80/54/28/720805428.db2.gz	KPPHOABKVDMZQV-KGLIPLIRSA-N	0	0	437.453	0.658	20	70		ICIDRN
COC(=O)c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c(S(=O)(=O)F)c1	ZINC001164745499	720805139	/nfs/dbraw/zinc/80/51/39/720805139.db2.gz	KPPHOABKVDMZQV-UONOGXRCSA-N	0	0	437.453	0.658	20	70		ICIDRN
COC(=O)c1cnc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c(S(=O)(=O)F)c1	ZINC001164745501	720804801	/nfs/dbraw/zinc/80/48/01/720804801.db2.gz	KPPHOABKVDMZQV-ZIAGYGMSSA-N	0	0	437.453	0.658	20	70		ICIDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164830033	720472321	/nfs/dbraw/zinc/47/23/21/720472321.db2.gz	IUQRGPQJDURKID-AWEZNQCLSA-N	0	0	440.501	0.321	20	70		ICIDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1ccc(S(=O)(=O)F)nn1)C2	ZINC001164830047	720472132	/nfs/dbraw/zinc/47/21/32/720472132.db2.gz	IUQRGPQJDURKID-CQSZACIVSA-N	0	0	440.501	0.321	20	70		ICIDRN
Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164831077	720483716	/nfs/dbraw/zinc/48/37/16/720483716.db2.gz	FGGBVVZZMYAXHQ-HNNXBMFYSA-N	0	0	439.513	0.926	20	70		ICIDRN
Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(S(=O)(=O)F)ccn1)C2	ZINC001164831079	720483727	/nfs/dbraw/zinc/48/37/27/720483727.db2.gz	FGGBVVZZMYAXHQ-OAHLLOKOSA-N	0	0	439.513	0.926	20	70		ICIDRN
COCCN1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853836	720891460	/nfs/dbraw/zinc/89/14/60/720891460.db2.gz	CZGGIHUHWNXVAZ-DZGCQCFKSA-N	0	0	431.486	0.700	20	70		ICIDRN
COCCN1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853837	720891637	/nfs/dbraw/zinc/89/16/37/720891637.db2.gz	CZGGIHUHWNXVAZ-HIFRSBDPSA-N	0	0	431.486	0.700	20	70		ICIDRN
COCCN1CCO[C@@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@@H]2C1	ZINC001164853839	720891882	/nfs/dbraw/zinc/89/18/82/720891882.db2.gz	CZGGIHUHWNXVAZ-UKRRQHHQSA-N	0	0	431.486	0.700	20	70		ICIDRN
COCCN1CCO[C@H]2CN(c3ncc(C(=O)OC)cc3S(=O)(=O)F)CC[C@H]2C1	ZINC001164853841	720891467	/nfs/dbraw/zinc/89/14/67/720891467.db2.gz	CZGGIHUHWNXVAZ-ZFWWWQNUSA-N	0	0	431.486	0.700	20	70		ICIDRN