smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(N(C)C)cc1	ZINC000020503930	263381394	/nfs/dbraw/zinc/38/13/94/263381394.db2.gz	WUWMEFUUXGMASM-IRFCIJBXSA-N	2	1	368.525	1.758	40	30	biogenic,in-vitro	FDEBMP
C[NH+]1CCN(c2ncc3c(n2)CC[C@@H]([NH2+]Cc2cccc(C#N)c2)C3)CC1	ZINC000306123693	536426674	/nfs/dbraw/zinc/42/66/74/536426674.db2.gz	ATZYCWUQXUUEAP-LJQANCHMSA-N	2	1	362.481	1.747	40	30		FDEBMP
N#Cc1cccc(CN2CC[N@H+]3C[C@H](OCC[NH+]4CCCC4)C[C@H]3C2)c1	ZINC000096183325	209131756	/nfs/dbraw/zinc/13/17/56/209131756.db2.gz	UHYRGYAVSVFMGK-LEWJYISDSA-N	2	1	354.498	1.929	40	30		FDEBMP
C[NH+]1CCN(c2ncc3c(n2)CC[C@H]([NH2+]Cc2cccc(C#N)c2)C3)CC1	ZINC000306123692	536426889	/nfs/dbraw/zinc/42/68/89/536426889.db2.gz	ATZYCWUQXUUEAP-IBGZPJMESA-N	2	1	362.481	1.747	40	30		FDEBMP
CN1C[C@@]2(CC[N@@H+](Cc3ccnn3C)C[C@@H]2O)O/C1=N\c1ccccc1	ZINC000257341688	571163163	/nfs/dbraw/zinc/16/31/63/571163163.db2.gz	ZLKTYCBIJWIWEB-WSUGQWEGSA-N	2	1	355.442	1.375	40	30		FDEBMP