smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1C1CC[NH2+]CC1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000021151331	195282741	/nfs/dbraw/zinc/28/27/41/195282741.db2.gz	UYHKDVAAPXPHKI-UHFFFAOYSA-N	2	2	474.565	3.206	50	5		JGBALP
Cc1nc(N2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000036340234	569763691	/nfs/dbraw/zinc/76/36/91/569763691.db2.gz	PTJPWCRPVSCHOS-XMMPIXPASA-N	2	2	461.566	3.318	50	5		JGBALP
COCC[NH+]1CCN(C(=O)c2ccc(C)nc2C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000034725919	569652858	/nfs/dbraw/zinc/65/28/58/569652858.db2.gz	CXVQLTZUOUDHKS-UHFFFAOYSA-N	2	2	481.597	3.082	50	5		JGBALP
Cc1nc(N2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)c(Cc2ccc([N+](=O)[O-])cc2)c(C)[nH+]1	ZINC000036340235	569763828	/nfs/dbraw/zinc/76/38/28/569763828.db2.gz	PTJPWCRPVSCHOS-DEOSSOPVSA-N	2	2	461.566	3.318	50	5		JGBALP