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@@H](CSc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc21)C[NH+](C)C ZINC000071767300 570851537 /nfs/dbraw/zinc/85/15/37/570851537.db2.gz QKXWCCANUOWYTB-MRXNPFEDSA-N 1 3 396.604 4.810 50 5 GJBAHO C[C@H](CSc1c2ccc(N(C)C)cc2nc2cc(N(C)C)ccc21)C[NH+](C)C ZINC000071767299 570851667 /nfs/dbraw/zinc/85/16/67/570851667.db2.gz QKXWCCANUOWYTB-INIZCTEOSA-N 1 3 396.604 4.810 50 5 GJBAHO CN(C)c1ccc2c(c1)nc1cc(N(C)C)ccc1c2SCC[NH+]1CCCC1 ZINC000071767290 570851388 /nfs/dbraw/zinc/85/13/88/570851388.db2.gz RJFYEHSLDCVEFA-UHFFFAOYSA-N 1 3 394.588 4.708 50 5 GJBAHO