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(=N)NC(=N)N1c1ccc(OCc2ccc(COc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043300591	562647461	/nfs/dbraw/zinc/64/74/61/562647461.db2.gz	UPOLIGTXRYISGC-UHFFFAOYSA-N	0	3	546.024	4.342	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCC2CCC(COc3ccc(S(=O)(=O)F)cc3)CC2)c(Cl)c1	ZINC000043300626	562647499	/nfs/dbraw/zinc/64/74/99/562647499.db2.gz	WCYBQSFAVSHTHH-UHFFFAOYSA-N	0	3	552.072	4.448	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(CCCCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043300631	562647541	/nfs/dbraw/zinc/64/75/41/562647541.db2.gz	DLPUGSCFZXDCJS-UHFFFAOYSA-N	0	3	500.427	4.403	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)cc2)c(Cl)c1	ZINC000043307539	562647518	/nfs/dbraw/zinc/64/75/18/562647518.db2.gz	JKEFGVQEUDULPU-UHFFFAOYSA-N	0	3	559.023	4.015	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2ccccc2C(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307575	562647594	/nfs/dbraw/zinc/64/75/94/562647594.db2.gz	IAASIROUWADJRR-UHFFFAOYSA-N	0	3	559.023	4.015	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCCCCCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307626	562647583	/nfs/dbraw/zinc/64/75/83/562647583.db2.gz	KRIHPSHIXHMOJW-UHFFFAOYSA-N	0	3	526.034	4.202	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2cccc(C(=O)Nc3ccc(S(=O)(=O)F)cc3)c2)c(Cl)c1	ZINC000043307779	562647565	/nfs/dbraw/zinc/64/75/65/562647565.db2.gz	IPIDACHJKIQTMP-UHFFFAOYSA-N	0	3	559.023	4.015	1	70		KIIFHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCc2cccc(C(=O)Nc3cccc(S(=O)(=O)F)c3)c2)c(Cl)c1	ZINC000043834694	562650995	/nfs/dbraw/zinc/65/09/95/562650995.db2.gz	PVQRYUPRHPSKFJ-UHFFFAOYSA-N	0	3	559.023	4.015	1	70		KIIFHN
CC(C)[C@@H]1NC(=O)c2ccccc2OCCCOc2ccc(cc2)C[C@@H]([C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)NC1=O	ZINC000160937622	562849117	/nfs/dbraw/zinc/84/91/17/562849117.db2.gz	GRKWALBGUZROQR-FUQONNQVSA-N	0	3	676.899	4.486	1	70		KIIFHN
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(-c4cnn(-c5ccccn5)c4)cc32)c(C)c1C(=O)NCCN1CCCC1	ZINC000218128811	562877830	/nfs/dbraw/zinc/87/78/30/562877830.db2.gz	IBDZSVOHRPWDJU-JLPGSUDCSA-N	0	3	521.625	4.198	1	70		KIIFHN