smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccc(C[NH+]2CCN(C(=O)Cn3nc(C(N)=O)c4ccccc4c3=O)CC2)cc1	ZINC000012677604	562982884	/nfs/dbraw/zinc/98/28/84/562982884.db2.gz	SZTYSFJUCAJJPR-UHFFFAOYSA-N	1	2	430.468	0.711	10	30		ICEELO
Cc1cc(C)cc(NC2=N[C@@H]3[C@H](S2)[C@@H](C(=O)NCC[NH+]2CCOCC2)C[C@@H](O)[C@@H]3O)c1	ZINC000020504134	524360098	/nfs/dbraw/zinc/36/00/98/524360098.db2.gz	BNRGRQABUAAMSB-LJDSDSDDSA-N	1	2	448.589	0.555	10	30		ICEELO
C#CCOC[C@@H](O)C[N@H+](CCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036207186	518301397	/nfs/dbraw/zinc/30/13/97/518301397.db2.gz	JZQFUVPHSLLLHT-AWEZNQCLSA-N	1	2	437.518	0.929	10	30		ICEELO
C#CCOC[C@@H](O)C[N@@H+](CCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036207186	518301392	/nfs/dbraw/zinc/30/13/92/518301392.db2.gz	JZQFUVPHSLLLHT-AWEZNQCLSA-N	1	2	437.518	0.929	10	30		ICEELO
C#CCOC[C@H](O)C[N@H+](CCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036207187	518310532	/nfs/dbraw/zinc/31/05/32/518310532.db2.gz	JZQFUVPHSLLLHT-CQSZACIVSA-N	1	2	437.518	0.929	10	30		ICEELO
C#CCOC[C@H](O)C[N@@H+](CCOC)Cc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1	ZINC000036207187	518310527	/nfs/dbraw/zinc/31/05/27/518310527.db2.gz	JZQFUVPHSLLLHT-CQSZACIVSA-N	1	2	437.518	0.929	10	30		ICEELO