smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@]12CCC[C@H](O1)c1c(cc3c(c1OS(=O)(=O)[O-])C(=O)c1c(O)cc(O)cc1C3=O)O2 ZINC000031166492 291336908 /nfs/dbraw/zinc/33/69/08/291336908.db2.gz VTOWVRODCXECEJ-YUNKPMOVSA-N -1 1 448.405 2.405 10 10 biogenic IECEMM CCOc1cc(C=C2C(=O)[N-]C(=S)N(C)C2=O)cc(I)c1O ZINC000038179156 556612351 /nfs/dbraw/zinc/61/23/51/556612351.db2.gz HAEUAIFJSIBSJI-XBXARRHUSA-N -1 1 432.239 2.492 10 10 IECEMM