smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2Cl)cc1	ZINC000216940863	569879847	/nfs/dbraw/zinc/87/98/47/569879847.db2.gz	RCDNDFJSUDEEEK-UHFFFAOYSA-N	1	1	450.004	3.911	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2ccc(Cl)c(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043833930	563171181	/nfs/dbraw/zinc/17/11/81/563171181.db2.gz	LQSODZJZOSIJIX-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO
O=C(Cc1cn(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc12)N1CCCCCC1	ZINC000217528950	569880259	/nfs/dbraw/zinc/88/02/59/569880259.db2.gz	QQGAORAAWOGFMB-JTHBVZDNSA-N	1	1	458.606	3.825	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2ccc(S(=O)(=O)F)c(Cl)c2)c(Cl)c1	ZINC000043871576	563171200	/nfs/dbraw/zinc/17/12/00/563171200.db2.gz	WORSOQASSXRRAK-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(Cl)c(CCCCc2ccc(S(=O)(=O)F)cc2)c1	ZINC000043300470	563169258	/nfs/dbraw/zinc/16/92/58/563169258.db2.gz	UNPYAIBSBRQQBR-UHFFFAOYSA-N	1	1	465.982	3.749	40	70		JHIBMO
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095710	569882732	/nfs/dbraw/zinc/88/27/32/569882732.db2.gz	HJDYTPQRSBDNJD-VGYAKCNGSA-N	1	1	475.589	3.785	40	70		JHIBMO
Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3CC[NH+](C)CC3)ccc2Cl)c1	ZINC000216940805	569879836	/nfs/dbraw/zinc/87/98/36/569879836.db2.gz	VBCWNOBCSXVSNF-UHFFFAOYSA-N	1	1	450.004	3.911	40	70		JHIBMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccccc2S(=O)(=O)F)c(Cl)c1	ZINC000043307569	563169411	/nfs/dbraw/zinc/16/94/11/563169411.db2.gz	QTRXPJLNGNXMDJ-UHFFFAOYSA-N	1	1	465.982	3.749	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2cc(Cl)ccc2S(=O)(=O)F)c(Cl)c1	ZINC000043860881	563171250	/nfs/dbraw/zinc/17/12/50/563171250.db2.gz	UVAJEXZOXPOFPB-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300593	563169251	/nfs/dbraw/zinc/16/92/51/563169251.db2.gz	JDKSXAPFLFCYJH-UHFFFAOYSA-N	1	1	465.982	3.749	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2ccc(Cl)cc2S(=O)(=O)F)c(Cl)c1	ZINC000044201686	563171953	/nfs/dbraw/zinc/17/19/53/563171953.db2.gz	CISCHMLRTADWCE-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1Cl	ZINC000216940779	569879831	/nfs/dbraw/zinc/87/98/31/569879831.db2.gz	UQKZNVOEJGYTII-UHFFFAOYSA-N	1	1	450.004	3.911	40	70		JHIBMO
CC1(C)NC(=N)NC(=[NH2+])N1c1ccc(CCCCc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000044181853	563171864	/nfs/dbraw/zinc/17/18/64/563171864.db2.gz	XQQDBGQOOHDDFC-UHFFFAOYSA-N	1	1	465.982	3.749	40	70		JHIBMO
CCn1cc(C(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c(=O)c2cc3c(cc21)OCO3	ZINC000218095778	569882707	/nfs/dbraw/zinc/88/27/07/569882707.db2.gz	HJDYTPQRSBDNJD-RLSPIHMPSA-N	1	1	475.589	3.785	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2cccc(Cl)c2S(=O)(=O)F)c(Cl)c1	ZINC000043834616	563171144	/nfs/dbraw/zinc/17/11/44/563171144.db2.gz	HMQJZZWMKDLIAZ-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCCCCCc2ccc(S(=O)(=O)F)cc2)cc1	ZINC000043307579	563169355	/nfs/dbraw/zinc/16/93/55/563169355.db2.gz	VNYWLJDMMFVHSV-UHFFFAOYSA-N	1	1	459.591	3.876	40	70		JHIBMO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(CCc2ccc(S(=O)(=O)F)cc2Cl)c(Cl)c1	ZINC000043307516	563169390	/nfs/dbraw/zinc/16/93/90/563169390.db2.gz	TWCRDMVGDPFTHE-UHFFFAOYSA-N	1	1	472.373	3.622	40	70		JHIBMO