smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)cc1	ZINC000001207154	206366504	/nfs/dbraw/zinc/36/65/04/206366504.db2.gz	RKLGYXVXOKGZCV-XSFVSMFZSA-N	0	2	386.407	4.745	10	10		GJCELN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000018177338	207094543	/nfs/dbraw/zinc/09/45/43/207094543.db2.gz	PDYWBWKWZWUJJL-FMQUCBEESA-N	0	2	382.401	4.811	10	10		GJCELN
CC(C)=CCc1cc2c(=O)c3c(O)c(CC=C(C)C)c(O)cc3oc2c(O)c1O	ZINC000014727613	570923353	/nfs/dbraw/zinc/92/33/53/570923353.db2.gz	HYEUTPGCGSJHQC-UHFFFAOYSA-N	0	2	396.439	4.786	10	10	biogenic	GJCELN
O=S(=O)(Nc1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)cc(Cl)c1	ZINC000040939035	208374934	/nfs/dbraw/zinc/37/49/34/208374934.db2.gz	WVSYFTVECNBQKD-UHFFFAOYSA-N	0	2	387.071	4.807	10	10		GJCELN
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(Cl)c(Cl)c1	ZINC000059106183	136155630	/nfs/dbraw/zinc/15/56/30/136155630.db2.gz	NWJUCMHYYKSGBP-GHXNOFRVSA-N	0	2	379.174	4.639	10	10		GJCELN