smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c2ncn(CCCN3CCN(c4cncc(Cl)n4)CC3)c2c(=O)n(C)c1=O	ZINC000000576310	132228704	/nfs/dbraw/zinc/22/87/04/132228704.db2.gz	NTCCRKWITOTUPJ-UHFFFAOYSA-N	0	1	418.889	0.089	1	0		HCAFMN
CS(=O)(=O)NCCN([C@@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000006019453	560204426	/nfs/dbraw/zinc/20/44/26/560204426.db2.gz	VSQCTWPNMPWYSD-WBVHZDCISA-N	0	1	401.554	0.559	1	0	in-vitro	HCAFMN
CS(=O)(=O)NCCN([C@@H]1CC[N@H+]2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000006019453	560204425	/nfs/dbraw/zinc/20/44/25/560204425.db2.gz	VSQCTWPNMPWYSD-WBVHZDCISA-N	0	1	401.554	0.559	1	0	in-vitro	HCAFMN
N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)C(=O)[O-]	ZINC000013491434	581096631	/nfs/dbraw/zinc/09/66/31/581096631.db2.gz	SDIXDSUGDXKMNQ-IKGGRYGDSA-N	0	1	424.542	0.543	1	0		HCAFMN
CS(=O)(=O)NCCN([C@H]1CCN2CCc3ccccc3[C@@H]2C1)S(C)(=O)=O	ZINC000014953689	560227938	/nfs/dbraw/zinc/22/79/38/560227938.db2.gz	VSQCTWPNMPWYSD-RDJZCZTQSA-N	0	1	401.554	0.559	1	0	in-vitro	HCAFMN
O=c1cc(-c2ccccc2)oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c12	ZINC000045201959	291186877	/nfs/dbraw/zinc/18/68/77/291186877.db2.gz	PIJHQWMTZXDYER-QNDFHXLGSA-N	0	1	416.382	0.344	1	0	biogenic	HCAFMN
CC(C)C[C@H]1NC2(C(=O)NC(=O)NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]12	ZINC000015303359	558731139	/nfs/dbraw/zinc/73/11/39/558731139.db2.gz	MNTDDKVNIABPOK-AGIUHOORSA-N	0	1	418.837	0.568	2	0		HCAFMN
CC(C)C[C@H]1NC2(C(=O)NC(=O)NC2=O)[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]12	ZINC000100138617	559130326	/nfs/dbraw/zinc/13/03/26/559130326.db2.gz	MNTDDKVNIABPOK-UPJWGTAASA-N	0	1	418.837	0.568	2	0		HCAFMN