smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COS(=O)(=O)[N-]C(=O)CCCCCCNC(O)=NS(C)(=O)=O ZINC000045336092 208331938 /nfs/dbraw/zinc/33/19/38/208331938.db2.gz CWBIPAGOYCZWNP-UHFFFAOYSA-N -1 2 359.426 0.248 1 30 FCEFLM CCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@@](=O)([O-])O)c1 ZINC000095587002 209082137 /nfs/dbraw/zinc/08/21/37/209082137.db2.gz MVMLQQPRQODUEQ-UHFFFAOYSA-O -1 2 371.287 0.748 1 30 FCEFLM CCCCCCCn1cc[n+](CC(O)(P(=O)([O-])O)[P@](=O)([O-])O)c1 ZINC000095587002 209082141 /nfs/dbraw/zinc/08/21/41/209082141.db2.gz MVMLQQPRQODUEQ-UHFFFAOYSA-O -1 2 371.287 0.748 1 30 FCEFLM