smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([N@@H+](C)CCc2ccccn2)[C@H]1O	ZINC000012490002	220001152	/nfs/dbraw/zinc/00/11/52/220001152.db2.gz	YOMHJHIFLMQZPD-OVYGPGRDSA-N	1	1	362.430	-0.106	40	30	biogenic,in-vitro	FBEBMO
C=CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H]([N@H+](C)CCc2ccccn2)[C@H]1O	ZINC000012490002	220001148	/nfs/dbraw/zinc/00/11/48/220001148.db2.gz	YOMHJHIFLMQZPD-OVYGPGRDSA-N	1	1	362.430	-0.106	40	30	biogenic,in-vitro	FBEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@H+]21	ZINC000015708406	220161903	/nfs/dbraw/zinc/16/19/03/220161903.db2.gz	ZQTGCBGKONZSMI-BBWFWOEESA-N	1	1	368.437	-0.113	40	30	biogenic,in-vitro	FBEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)c3ccccc3)C[N@@H+]21	ZINC000015708406	220161901	/nfs/dbraw/zinc/16/19/01/220161901.db2.gz	ZQTGCBGKONZSMI-BBWFWOEESA-N	1	1	368.437	-0.113	40	30	biogenic,in-vitro	FBEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)C[N@H+]21	ZINC000015708458	518273775	/nfs/dbraw/zinc/27/37/75/518273775.db2.gz	VEPCYYDOWRSOJK-MJBXVCDLSA-N	1	1	363.487	-0.916	40	30	biogenic,in-vitro	FBEBMO
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=S)NC3CC3)C[N@@H+]21	ZINC000015708458	518273769	/nfs/dbraw/zinc/27/37/69/518273769.db2.gz	VEPCYYDOWRSOJK-MJBXVCDLSA-N	1	1	363.487	-0.916	40	30	biogenic,in-vitro	FBEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ncc[nH]2)[N@@H+]1C	ZINC000022922447	483448718	/nfs/dbraw/zinc/44/87/18/483448718.db2.gz	FDZNVYQQDGPWAZ-VBQJREDUSA-N	1	1	358.446	-0.688	40	30	biogenic,in-vitro	FBEBMO
C[NH+](C)CCN1CNC(=NS(=O)(=O)c2cccc3nsnc32)NC1	ZINC000040387442	483605477	/nfs/dbraw/zinc/60/54/77/483605477.db2.gz	ZGLUTSBQOZXSHX-UHFFFAOYSA-N	1	1	369.476	-0.293	40	30		FBEBMO