smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCNC(=O)[C@H]1C[C@H]2[C@H](CC[N@H+]2Cc2cccc(C#N)c2)O1	ZINC000096183651	436518840	/nfs/dbraw/zinc/51/88/40/436518840.db2.gz	JLABDVNLBUFUEJ-OKZBNKHCSA-N	2	1	342.443	0.968	40	30		ECEBMP
C#CCN(C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000020503942	578130507	/nfs/dbraw/zinc/13/05/07/578130507.db2.gz	CRODZUGTPNTMPC-HRCADAONSA-N	2	1	338.521	0.372	40	30	biogenic,in-vitro	ECEBMP
C=CCN(C)C(=O)[C@H]1C[N@@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)C)nn1	ZINC000003838666	210077875	/nfs/dbraw/zinc/07/78/75/210077875.db2.gz	WZSANZCKVOMYFH-OIISXLGYSA-N	2	1	346.479	0.695	40	30	biogenic,in-vitro	ECEBMP
CN1CCc2c(C#N)c(NC(=O)CN3CC[NH+](C)CC3)sc2C1	ZINC000408582356	438582444	/nfs/dbraw/zinc/58/24/44/438582444.db2.gz	NCHWHSFZHYCRSU-UHFFFAOYSA-N	2	1	333.461	0.794	40	30		ECEBMP
C=CC[N@H+](C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCOC	ZINC000067870682	215235702	/nfs/dbraw/zinc/23/57/02/215235702.db2.gz	YFEBVOJPUQKYJV-HRCADAONSA-N	2	1	340.537	0.925	40	30	biogenic,in-vitro	ECEBMP
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1	ZINC000020503755	565105465	/nfs/dbraw/zinc/10/54/65/565105465.db2.gz	CJYQQKKJEKNAAS-HRCADAONSA-N	2	1	336.505	0.126	40	30	biogenic,in-vitro	ECEBMP