smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1)[NH+]1CCOCC1	ZINC000514293448	1066235637	/nfs/dbraw/zinc/23/56/37/1066235637.db2.gz	QYACFZMUAYDAMA-UHFFFAOYSA-N	1	2	537.683	2.213	20	5		KEBDLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1	ZINC000514376814	1066281746	/nfs/dbraw/zinc/28/17/46/1066281746.db2.gz	HEGYWJUYWKNULV-HSZRJFAPSA-N	1	2	516.620	2.321	20	5		KEBDLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000514376814	1066281738	/nfs/dbraw/zinc/28/17/38/1066281738.db2.gz	HEGYWJUYWKNULV-HSZRJFAPSA-N	1	2	516.620	2.321	20	5		KEBDLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1	ZINC000514376815	1066281913	/nfs/dbraw/zinc/28/19/13/1066281913.db2.gz	HEGYWJUYWKNULV-QHCPKHFHSA-N	1	2	516.620	2.321	20	5		KEBDLO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1	ZINC000514376815	1066281902	/nfs/dbraw/zinc/28/19/02/1066281902.db2.gz	HEGYWJUYWKNULV-QHCPKHFHSA-N	1	2	516.620	2.321	20	5		KEBDLO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@@H](O)COc3ccccc3F)CC2)c([N+](=O)[O-])c1	ZINC000514380806	1066276021	/nfs/dbraw/zinc/27/60/21/1066276021.db2.gz	QVQLCEJAHYXBIB-GOSISDBHSA-N	1	2	510.588	2.326	20	5		KEBDLO
CCN(CC)S(=O)(=O)c1ccc(N2CC[NH+](C[C@H](O)COc3ccccc3F)CC2)c([N+](=O)[O-])c1	ZINC000514380807	1066275898	/nfs/dbraw/zinc/27/58/98/1066275898.db2.gz	QVQLCEJAHYXBIB-SFHVURJKSA-N	1	2	510.588	2.326	20	5		KEBDLO
O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1)Nc1ccccc1	ZINC000514393053	1066339201	/nfs/dbraw/zinc/33/92/01/1066339201.db2.gz	MELBHGKMUJWFNT-UHFFFAOYSA-N	1	2	503.581	2.131	20	5		KEBDLO