smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ncn(C[C@H](O)CNC3=[NH+]CCCC3)c2c(=O)n(C)c1=O	ZINC000000091694	374685351	/nfs/dbraw/zinc/68/53/51/374685351.db2.gz	HZOOXBPNBYKHPH-SNVBAGLBSA-N	1	0	334.380	-1.033	40	30		EAEBRO
Cn1c2ncn(C[C@@H](O)CNC3=[NH+]CCCC3)c2c(=O)n(C)c1=O	ZINC000000091707	209415221	/nfs/dbraw/zinc/41/52/21/209415221.db2.gz	HZOOXBPNBYKHPH-JTQLQIEISA-N	1	0	334.380	-1.033	40	30		EAEBRO
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N(C)CC[NH+](C)C)[C@H]1O	ZINC000020463975	212134678	/nfs/dbraw/zinc/13/46/78/212134678.db2.gz	JYDOHZBBRDBDAY-XGFWRYKXSA-N	1	0	328.413	-1.182	40	30	biogenic,in-vitro	EAEBRO
[NH3+]CCCC[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)C[NH3+])C(=O)[O-]	ZINC000039817543	213242531	/nfs/dbraw/zinc/24/25/31/213242531.db2.gz	MVORZMQFXBLMHM-WDEREUQCSA-N	1	0	340.384	-1.066	40	30	in-man	EAEBRO
C=C1C[C@@H](C)O[C@H]2O[C@H]3[C@H](O[C@@]12O)[C@@H](NC)[C@@H](O)[C@@H]([NH2+]C)[C@@H]3O	ZINC000071404965	277814659	/nfs/dbraw/zinc/81/46/59/277814659.db2.gz	DWKDQRGLLPHQOI-CLQOTAMTSA-N	1	0	330.381	-1.939	40	30		EAEBRO