smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[n+]1c(/C=C/c2ccc([N+](C)(C)C)cc2)ccc2ccccc21 ZINC000005535488 181254626 /nfs/dbraw/zinc/25/46/26/181254626.db2.gz CSSVPYKFAZWJSM-UKTHLTGXSA-N 2 0 304.437 4.031 40 10 DICBRP C[n+]1c(/C=C\c2ccc([N+](C)(C)C)cc2)ccc2ccccc21 ZINC000013404396 563381370 /nfs/dbraw/zinc/38/13/70/563381370.db2.gz CSSVPYKFAZWJSM-LCYFTJDESA-N 2 0 304.437 4.031 40 10 DICBRP CC1(C)CC(/N=N/C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000005295406 181227341 /nfs/dbraw/zinc/22/73/41/181227341.db2.gz JGABCTOPITUPGM-FMQUCBEESA-N 2 0 308.514 4.057 40 10 DICBRP