smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCNC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300595	562647440	/nfs/dbraw/zinc/64/74/40/562647440.db2.gz	CGNHCEWPHCGCBK-UHFFFAOYSA-N	1	0	525.994	2.774	40	70		KFIBRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307686	562647549	/nfs/dbraw/zinc/64/75/49/562647549.db2.gz	KPICKNXLTRRWQW-UHFFFAOYSA-N	1	0	525.006	2.773	40	70		KFIBRO
CCCCOc1ccc(CC2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)N(C)C(=O)N(C)C2=O)cc1	ZINC000217354495	571600841	/nfs/dbraw/zinc/60/08/41/571600841.db2.gz	VRNXGQMGKDFBPY-FCHUYYIVSA-N	1	0	520.630	2.726	40	70		KFIBRO
COc1ccccc1C[C@@]1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000217374533	571601282	/nfs/dbraw/zinc/60/12/82/571601282.db2.gz	BOCSJCZQQYABHK-XQXRPGFNSA-N	1	0	526.593	2.788	40	70		KFIBRO
COc1ccccc1C[C@]1(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000217374612	571601058	/nfs/dbraw/zinc/60/10/58/571601058.db2.gz	BOCSJCZQQYABHK-QCAMCUJPSA-N	1	0	526.593	2.788	40	70		KFIBRO
COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1	ZINC000217375467	571600979	/nfs/dbraw/zinc/60/09/79/571600979.db2.gz	VTWNVXCBJKJFPN-GYWHWRDRSA-N	1	0	556.619	2.797	40	70		KFIBRO
COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)[N-]C(=O)N(c3ccccc3)C2=O)c(OC)c1	ZINC000217375549	571601118	/nfs/dbraw/zinc/60/11/18/571601118.db2.gz	VTWNVXCBJKJFPN-OSDLZFKDSA-N	1	0	556.619	2.797	40	70		KFIBRO
COc1ccc(C[C@@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411380	571601350	/nfs/dbraw/zinc/60/13/50/571601350.db2.gz	VDNDMXJHXMOBLZ-JOUUIMRQSA-N	1	0	570.646	2.792	40	70		KFIBRO
COc1ccc(C[C@]2(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1OC	ZINC000217411450	571601386	/nfs/dbraw/zinc/60/13/86/571601386.db2.gz	VDNDMXJHXMOBLZ-XNSHOJTPSA-N	1	0	570.646	2.792	40	70		KFIBRO
COC(=O)C[C@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218070060	571603244	/nfs/dbraw/zinc/60/32/44/571603244.db2.gz	QBIROGRCIAFLGI-FBBABVLZSA-N	1	0	566.607	2.847	40	70		KFIBRO
COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1oc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c1O	ZINC000218070133	571603155	/nfs/dbraw/zinc/60/31/55/571603155.db2.gz	QBIROGRCIAFLGI-DSKINZAPSA-N	1	0	566.607	2.847	40	70		KFIBRO