smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NCc1nc(-c2ccccc2)no1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000218078257	568474943	/nfs/dbraw/zinc/47/49/43/568474943.db2.gz	AGPKLBSZOVJYHA-UHFFFAOYSA-N	1	1	424.504	4.225	40	70		HIIBMO
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000218050127	568474879	/nfs/dbraw/zinc/47/48/79/568474879.db2.gz	CIXNLLJRNOWTJA-NLSXBWCTSA-N	1	1	403.570	4.142	40	70		HIIBMO
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218049887	568474894	/nfs/dbraw/zinc/47/48/94/568474894.db2.gz	WDHMIBFAAGQCCY-AXRVMRSRSA-N	1	1	408.571	4.173	40	70		HIIBMO
O=C(c1cc(-c2cccs2)n[nH]1)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218049961	568474846	/nfs/dbraw/zinc/47/48/46/568474846.db2.gz	WDHMIBFAAGQCCY-KAULMNLWSA-N	1	1	408.571	4.173	40	70		HIIBMO
Cn1cc(CC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000218050055	568474860	/nfs/dbraw/zinc/47/48/60/568474860.db2.gz	CIXNLLJRNOWTJA-OXPRRSNCSA-N	1	1	403.570	4.142	40	70		HIIBMO
CSc1nc(Nc2ccccc2Oc2ccccc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216852754	568468269	/nfs/dbraw/zinc/46/82/69/568468269.db2.gz	HIOJTKBUDYDEDN-UHFFFAOYSA-N	1	1	407.543	4.486	40	70		HIIBMO
CSc1nc(Nc2ccc(Oc3ccccc3)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216852129	568468324	/nfs/dbraw/zinc/46/83/24/568468324.db2.gz	VSBSBVDGTMBDIX-UHFFFAOYSA-N	1	1	407.543	4.486	40	70		HIIBMO
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218012970	568474616	/nfs/dbraw/zinc/47/46/16/568474616.db2.gz	QFPOGUHTOWMFPG-XQYWTEMXSA-N	1	1	404.476	4.068	40	70		HIIBMO
CSc1nc(Nc2ccc(OCc3ccccc3)cc2)cc(N2CC[NH+](C)CC2)n1	ZINC000216852086	568468280	/nfs/dbraw/zinc/46/82/80/568468280.db2.gz	FVMUOYGTLQASTQ-UHFFFAOYSA-N	1	1	421.570	4.273	40	70		HIIBMO
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21	ZINC000218044593	568474922	/nfs/dbraw/zinc/47/49/22/568474922.db2.gz	GGGUEYCQLIHTKW-TXKCWOHGSA-N	1	1	421.516	4.115	40	70		HIIBMO
O=C(c1cnc2ccc(F)cc2c1O)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218044668	568474836	/nfs/dbraw/zinc/47/48/36/568474836.db2.gz	GGGUEYCQLIHTKW-VQDLLJBESA-N	1	1	421.516	4.115	40	70		HIIBMO
C[NH+]1CCC(Oc2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)CC1	ZINC000216941751	568469610	/nfs/dbraw/zinc/46/96/10/568469610.db2.gz	LHVWEFGPPXLDFB-UHFFFAOYSA-N	1	1	415.342	4.267	40	70		HIIBMO
CSc1nc(Nc2ccc(Cl)c(C(F)(F)F)c2)cc(N2CC[NH+](C)CC2)n1	ZINC000216851840	568468354	/nfs/dbraw/zinc/46/83/54/568468354.db2.gz	CHQLHXCKIUAWPO-UHFFFAOYSA-N	1	1	417.888	4.366	40	70		HIIBMO
O=C(Cc1cc(F)c(F)cc1F)N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21	ZINC000218013062	568474650	/nfs/dbraw/zinc/47/46/50/568474650.db2.gz	QFPOGUHTOWMFPG-FOHILQBSSA-N	1	1	404.476	4.068	40	70		HIIBMO