smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1nccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1[N+](=O)[O-]	ZINC000561139027	1068209957	/nfs/dbraw/zinc/20/99/57/1068209957.db2.gz	YSLYAUBPZLVMPN-UHFFFAOYSA-N	1	2	427.487	-0.719	20	5		IABDLO
O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1	ZINC000592538709	1067881353	/nfs/dbraw/zinc/88/13/53/1067881353.db2.gz	CBYQEPGTDYGABP-HIFRSBDPSA-N	1	2	428.467	-1.145	20	5		IABDLO
O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CC[NH+](CCO)CC1	ZINC000592538715	1067881474	/nfs/dbraw/zinc/88/14/74/1067881474.db2.gz	CBYQEPGTDYGABP-ZFWWWQNUSA-N	1	2	428.467	-1.145	20	5		IABDLO
Cc1nc(N2CCC[N@@H+](CC(N)=O)CC2)nc(N2CCCN(CC(N)=O)CC2)c1[N+](=O)[O-]	ZINC000757845083	1068300329	/nfs/dbraw/zinc/30/03/29/1068300329.db2.gz	ZUKLJIJOLUNNPE-UHFFFAOYSA-N	1	2	449.516	-1.312	20	5		IABDLO
Cc1nc(N2CCC[N@H+](CC(N)=O)CC2)nc(N2CCCN(CC(N)=O)CC2)c1[N+](=O)[O-]	ZINC000757845083	1068300308	/nfs/dbraw/zinc/30/03/08/1068300308.db2.gz	ZUKLJIJOLUNNPE-UHFFFAOYSA-N	1	2	449.516	-1.312	20	5		IABDLO
NC(=O)CN1CCCN(c2nc(N3CCC[N@@H+](CC(N)=O)CC3)ccc2[N+](=O)[O-])CC1	ZINC000764782564	1067955379	/nfs/dbraw/zinc/95/53/79/1067955379.db2.gz	FSQGWZGUDVRPGD-UHFFFAOYSA-N	1	2	434.501	-1.015	20	5		IABDLO
NC(=O)CN1CCCN(c2nc(N3CCC[N@H+](CC(N)=O)CC3)ccc2[N+](=O)[O-])CC1	ZINC000764782564	1067955375	/nfs/dbraw/zinc/95/53/75/1067955375.db2.gz	FSQGWZGUDVRPGD-UHFFFAOYSA-N	1	2	434.501	-1.015	20	5		IABDLO