smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCC[NH2+]C[C@@H](O)c1ccc(O)c(O)c1	ZINC000001566360	194128097	/nfs/dbraw/zinc/12/80/97/194128097.db2.gz	DVESNKWJVUEVML-QGZVFWFLSA-N	1	0	460.535	0.404	40	10		JCCBRO
CCN(CC)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCC[NH2+]C[C@H](O)c1ccc(O)c(O)c1	ZINC000017107039	556217225	/nfs/dbraw/zinc/21/72/25/556217225.db2.gz	DVESNKWJVUEVML-KRWDZBQOSA-N	1	0	460.535	0.404	40	10		JCCBRO
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O	ZINC000100035146	569751726	/nfs/dbraw/zinc/75/17/26/569751726.db2.gz	IXSPBTMMZDNZKP-UYUITFNMSA-N	1	0	485.629	0.752	40	10		JCCBRO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)N1CCOCC1	ZINC000100035158	569751733	/nfs/dbraw/zinc/75/17/33/569751733.db2.gz	JPWRKKWLLCDPGJ-HNSCLNPNSA-N	1	0	497.640	0.848	40	10		JCCBRO
COCCNC(=O)C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O	ZINC000958317606	1070724003	/nfs/dbraw/zinc/72/40/03/1070724003.db2.gz	IXSPBTMMZDNZKP-SFTDATJTSA-N	1	0	485.629	0.752	40	10		JCCBRO
O=C(C[C@@H]1CCN2C[C@@H]1C=CCOc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)N1CCOCC1	ZINC000958317608	1070724235	/nfs/dbraw/zinc/72/42/35/1070724235.db2.gz	JPWRKKWLLCDPGJ-VXKWHMMOSA-N	1	0	497.640	0.848	40	10		JCCBRO