smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]([NH3+])CO)C2	ZINC000217947871	279110660	/nfs/dbraw/zinc/11/06/60/279110660.db2.gz	IYGIVFYFDCVJRA-QMMMGPOBSA-N	1	0	252.274	-1.749	50	70		CAIARO
C[NH2+]C[C@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O	ZINC000161310111	188520675	/nfs/dbraw/zinc/52/06/75/188520675.db2.gz	CTQLQIYTBJYXMD-SNVBAGLBSA-N	1	0	280.328	-1.243	50	70		CAIARO
C[NH2+]C[C@@H]1CCCN1C(=O)Cn1ccc(=O)n(C)c1=O	ZINC000161309994	372951234	/nfs/dbraw/zinc/95/12/34/372951234.db2.gz	CTQLQIYTBJYXMD-JTQLQIEISA-N	1	0	280.328	-1.243	50	70		CAIARO
O=C(Cc1c[nH]c(=O)[nH]c1=O)NC[C@@H]1C[C@H](F)C[NH2+]1	ZINC000217137994	373216385	/nfs/dbraw/zinc/21/63/85/373216385.db2.gz	ZFFCWNTUAZHJHT-YUMQZZPRSA-N	1	0	270.264	-1.578	50	70		CAIARO