smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](c1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210503	393757117	/nfs/dbraw/zinc/75/71/17/393757117.db2.gz	QKDSKGUXVCGSDY-CYBMUJFWSA-N	2	2	272.396	2.664	50	70		CFIALP
C[C@H](c1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210503	393757122	/nfs/dbraw/zinc/75/71/22/393757122.db2.gz	QKDSKGUXVCGSDY-CYBMUJFWSA-N	2	2	272.396	2.664	50	70		CFIALP
c1cn(CC[N@@H+]2CC[C@@H](CSc3ccccc3)C2)c[nH+]1	ZINC000159855997	378735461	/nfs/dbraw/zinc/73/54/61/378735461.db2.gz	FPOBHXNAOWBOIN-OAHLLOKOSA-N	2	2	287.432	2.997	50	70		CFIALP
c1cn(CC[N@H+]2CC[C@@H](CSc3ccccc3)C2)c[nH+]1	ZINC000159855997	378735466	/nfs/dbraw/zinc/73/54/66/378735466.db2.gz	FPOBHXNAOWBOIN-OAHLLOKOSA-N	2	2	287.432	2.997	50	70		CFIALP
c1cn(CC[N@@H+]2CC[C@H](CSc3ccccc3)C2)c[nH+]1	ZINC000159856094	378736205	/nfs/dbraw/zinc/73/62/05/378736205.db2.gz	FPOBHXNAOWBOIN-HNNXBMFYSA-N	2	2	287.432	2.997	50	70		CFIALP
c1cn(CC[N@H+]2CC[C@H](CSc3ccccc3)C2)c[nH+]1	ZINC000159856094	378736209	/nfs/dbraw/zinc/73/62/09/378736209.db2.gz	FPOBHXNAOWBOIN-HNNXBMFYSA-N	2	2	287.432	2.997	50	70		CFIALP
C[C@@H](c1ccc(C[N@H+](C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210498	287133187	/nfs/dbraw/zinc/13/31/87/287133187.db2.gz	QKDSKGUXVCGSDY-ZDUSSCGKSA-N	2	2	272.396	2.664	50	70		CFIALP
C[C@@H](c1ccc(C[N@@H+](C)Cc2cc[nH]n2)cc1)[NH+](C)C	ZINC000217210498	287133191	/nfs/dbraw/zinc/13/31/91/287133191.db2.gz	QKDSKGUXVCGSDY-ZDUSSCGKSA-N	2	2	272.396	2.664	50	70		CFIALP