smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+](C)Cc1ccccc1	ZINC000217558724	569880370	/nfs/dbraw/zinc/88/03/70/569880370.db2.gz	AZOVDONMMZHDQV-LEWJYISDSA-N	2	1	460.578	2.504	40	70		JFIBMP
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+](C)Cc1ccccc1	ZINC000217558724	569880371	/nfs/dbraw/zinc/88/03/71/569880371.db2.gz	AZOVDONMMZHDQV-LEWJYISDSA-N	2	1	460.578	2.504	40	70		JFIBMP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@H+](C)Cc1ccccc1	ZINC000217558724	569880372	/nfs/dbraw/zinc/88/03/72/569880372.db2.gz	AZOVDONMMZHDQV-LEWJYISDSA-N	2	1	460.578	2.504	40	70		JFIBMP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@@H+](C)Cc1ccccc1	ZINC000217558724	569880373	/nfs/dbraw/zinc/88/03/73/569880373.db2.gz	AZOVDONMMZHDQV-LEWJYISDSA-N	2	1	460.578	2.504	40	70		JFIBMP
C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)F)cc1)c1ccc(N2C(=[NH2+])NC(=[NH2+])NC2(C)C)cc1	ZINC000043300334	563169170	/nfs/dbraw/zinc/16/91/70/563169170.db2.gz	YZCBVINJGMGRIK-ZDUSSCGKSA-N	2	1	460.535	2.663	40	70		JFIBMP
Cn1c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[NH+]1CC[C@H](c2ccccc2)C1	ZINC000217565113	569880323	/nfs/dbraw/zinc/88/03/23/569880323.db2.gz	VPEVQZDQRBMPRM-ACIOBRDBSA-N	2	1	486.616	2.861	40	70		JFIBMP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@@H+]1CC[C@H](c2ccccc2)C1	ZINC000217565113	569880324	/nfs/dbraw/zinc/88/03/24/569880324.db2.gz	VPEVQZDQRBMPRM-ACIOBRDBSA-N	2	1	486.616	2.861	40	70		JFIBMP
Cn1c(C[NH+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)cc(=O)c(O)c1C[N@H+]1CC[C@H](c2ccccc2)C1	ZINC000217565113	569880325	/nfs/dbraw/zinc/88/03/25/569880325.db2.gz	VPEVQZDQRBMPRM-ACIOBRDBSA-N	2	1	486.616	2.861	40	70		JFIBMP