smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(CN2Cc3ccccc3O[C@H](c3ccccc3)C2)c1O	ZINC000020998777	211302506	/nfs/dbraw/zinc/30/25/06/211302506.db2.gz	UEOOMPBUBGLHMP-QFIPXVFZSA-N	0	3	361.441	4.537	10	10		FJCEHN
CN(C)c1ccc([C@@H]2CC(c3cccc(N)c3)=NN2c2ccccc2)cc1	ZINC000005328658	204203481	/nfs/dbraw/zinc/20/34/81/204203481.db2.gz	ZAYQDAPQNGFCRV-QHCPKHFHSA-N	0	3	356.473	4.691	10	10		FJCEHN
Cc1ccccc1-n1ncc2c1CC(C)(C)C[C@H]2[NH2+]Cc1ccccc1[O-]	ZINC000011662257	210100957	/nfs/dbraw/zinc/10/09/57/210100957.db2.gz	ZKJVVZNYLOCASU-LJQANCHMSA-N	0	3	361.489	4.690	10	10		FJCEHN
COc1cccc(O)c1CN1Cc2ccccc2O[C@@H](c2ccccc2)C1	ZINC000014994500	211112997	/nfs/dbraw/zinc/11/29/97/211112997.db2.gz	PUWLIMDTXPYFGT-HSZRJFAPSA-N	0	3	361.441	4.537	10	10		FJCEHN
COc1cc(CCC(N)=O)ccc1Nc1c2ccccc2nc2ccccc21	ZINC000005141163	207083779	/nfs/dbraw/zinc/08/37/79/207083779.db2.gz	KAEUFODLJIKBQI-UHFFFAOYSA-N	0	3	371.440	4.558	10	10		FJCEHN
COc1cccc(CN2Cc3ccccc3O[C@@H](c3ccccc3)C2)c1O	ZINC000020998779	220348001	/nfs/dbraw/zinc/34/80/01/220348001.db2.gz	UEOOMPBUBGLHMP-JOCHJYFZSA-N	0	3	361.441	4.537	10	10		FJCEHN
CS(=O)(=O)Nc1cccc(Nc2c3ccccc3nc3ccccc32)c1	ZINC000005138694	207082620	/nfs/dbraw/zinc/08/26/20/207082620.db2.gz	FMTRURHFZFQCAU-UHFFFAOYSA-N	0	3	363.442	4.503	10	10		FJCEHN
COc1cc(C)c(-c2ccc([O-])c3c2C[C@@H](C)[NH2+][C@@H]3C)c2cccc(O)c12	ZINC000004654685	560198923	/nfs/dbraw/zinc/19/89/23/560198923.db2.gz	NALOMJPIDNQZKW-ZIAGYGMSSA-N	0	3	363.457	4.830	10	10	biogenic,in-vitro	FJCEHN
CN(C)c1ccc([C@H]2CC(c3cccc(N)c3)=NN2c2ccccc2)cc1	ZINC000005328724	219670549	/nfs/dbraw/zinc/67/05/49/219670549.db2.gz	ZAYQDAPQNGFCRV-HSZRJFAPSA-N	0	3	356.473	4.691	10	10		FJCEHN