smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CN(c2ccc([NH3+])cc2)C[C@@H](C)[NH2+]1	ZINC000019797658	132327336	/nfs/dbraw/zinc/32/73/36/132327336.db2.gz	FPBFBURPCHKEKH-NXEZZACHSA-N	2	2	205.305	1.455	40	10		BDCBLP
[NH3+]Cc1cc(Br)c(O)c(C[NH3+])c1	ZINC000225722726	388842150	/nfs/dbraw/zinc/84/21/50/388842150.db2.gz	OWJDAMBOJTUVMH-UHFFFAOYSA-N	2	2	231.093	1.072	40	10		BDCBLP
C[C@H]1CN(c2ccc([NH3+])cc2)C[C@H](C)[NH2+]1	ZINC000019797660	132327312	/nfs/dbraw/zinc/32/73/12/132327312.db2.gz	FPBFBURPCHKEKH-UWVGGRQHSA-N	2	2	205.305	1.455	40	10		BDCBLP
CN(C)c1ccc(C[N@@H+]2CC[C@@H]([NH3+])C2)cc1	ZINC000050227789	387924680	/nfs/dbraw/zinc/92/46/80/387924680.db2.gz	IBZNDVIRLXAXIZ-GFCCVEGCSA-N	2	2	219.332	1.286	40	10		BDCBLP
CN(C)c1ccc(C[N@H+]2CC[C@@H]([NH3+])C2)cc1	ZINC000050227789	387924685	/nfs/dbraw/zinc/92/46/85/387924685.db2.gz	IBZNDVIRLXAXIZ-GFCCVEGCSA-N	2	2	219.332	1.286	40	10		BDCBLP
CN(C)c1ccc(C[NH2+]CC[NH+](C)C)cc1	ZINC000022035570	384724580	/nfs/dbraw/zinc/72/45/80/384724580.db2.gz	MLAIYMLIDPQDJP-UHFFFAOYSA-N	2	2	221.348	1.404	40	10		BDCBLP
CN(C)c1ccc(C[N@@H+]2CC[C@H]([NH3+])C2)cc1	ZINC000050227788	387924268	/nfs/dbraw/zinc/92/42/68/387924268.db2.gz	IBZNDVIRLXAXIZ-LBPRGKRZSA-N	2	2	219.332	1.286	40	10		BDCBLP
CN(C)c1ccc(C[N@H+]2CC[C@H]([NH3+])C2)cc1	ZINC000050227788	387924273	/nfs/dbraw/zinc/92/42/73/387924273.db2.gz	IBZNDVIRLXAXIZ-LBPRGKRZSA-N	2	2	219.332	1.286	40	10		BDCBLP
C[C@@H]1CN(c2ccc([NH3+])cc2)C[C@H](C)[NH2+]1	ZINC000008701174	132319011	/nfs/dbraw/zinc/31/90/11/132319011.db2.gz	FPBFBURPCHKEKH-AOOOYVTPSA-N	2	2	205.305	1.455	40	10		BDCBLP
CN(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH2+][C@H]3C2)cc1	ZINC000096054074	384428698	/nfs/dbraw/zinc/42/86/98/384428698.db2.gz	SGOYOSDWFYUAGY-HIFRSBDPSA-N	2	2	245.370	1.546	40	10		BDCBLP
CN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH2+][C@H]3C2)cc1	ZINC000096054074	384428703	/nfs/dbraw/zinc/42/87/03/384428703.db2.gz	SGOYOSDWFYUAGY-HIFRSBDPSA-N	2	2	245.370	1.546	40	10		BDCBLP