smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)[N-][C@H]1CO[C@H]2[C@@H]1OC[C@@H]2n1nnnc1Oc1ccc2c(c1)OCO2	ZINC000004259806	291167065	/nfs/dbraw/zinc/16/70/65/291167065.db2.gz	GSHMFMJXUOJOPO-DUBDDPSESA-N	-1	3	411.396	-0.549	10	0	biogenic	HBAEHM
COC(=O)c1cn([C@H]2CO[C@H]3[C@@H]2OC[C@@H]3[N-]S(=O)(=O)Cc2ccccc2)nn1	ZINC000004260938	291165835	/nfs/dbraw/zinc/16/58/35/291165835.db2.gz	UKFCCWSULYHINN-CAOSSQGBSA-N	-1	3	408.436	-0.108	10	0	biogenic	HBAEHM
O=c1[n-]cnc2c1nc(N1CC[C@@H](c3ccccc3)C1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	ZINC000005807412	557675696	/nfs/dbraw/zinc/67/56/96/557675696.db2.gz	BQDSOBROADHSRZ-VOCSUFDSSA-N	-1	3	413.434	-0.275	10	0		HBAEHM
CO[C@@H]1[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1cc(Br)c(=O)[n-]c1=O	ZINC000168755769	569355354	/nfs/dbraw/zinc/35/53/54/569355354.db2.gz	SRIIZANGRRSQIV-PRULPYPASA-N	-1	3	421.200	-0.294	10	0		HBAEHM