smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(CNCCN(Cc2ccc([N+](=O)[O-])cc2)[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000575421229	568863106	/nfs/dbraw/zinc/86/31/06/568863106.db2.gz	NTXKPJAADPOGLJ-HXUWFJFHSA-N	0	3	448.501	2.282	40	5		IEBBHN
CN1CCC(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216933206	569437827	/nfs/dbraw/zinc/43/78/27/569437827.db2.gz	KSHGTOFUHOSTQY-UHFFFAOYSA-N	0	3	432.502	2.001	40	5		IEBBHN
CN1CCC(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	ZINC000216933174	569437848	/nfs/dbraw/zinc/43/78/48/569437848.db2.gz	HPIUPZHSSBEEPM-UHFFFAOYSA-N	0	3	432.502	2.001	40	5		IEBBHN
COC(=O)COc1ccc(Br)cc1C=Cc1nc(O)c([N+](=O)[O-])c(O)n1	ZINC000409344404	557071514	/nfs/dbraw/zinc/07/15/14/557071514.db2.gz	JDCCTGJARNESQK-DJWKRKHSSA-N	0	3	426.179	2.281	40	5		IEBBHN
O=[N+]([O-])c1ccc(CNCCN(Cc2ccc([N+](=O)[O-])cc2)[C@H]2CCS(=O)(=O)C2)cc1	ZINC000575421228	568863204	/nfs/dbraw/zinc/86/32/04/568863204.db2.gz	NTXKPJAADPOGLJ-FQEVSTJZSA-N	0	3	448.501	2.282	40	5		IEBBHN