smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1C(=CC=CC=CC2=[S+]c3cccc[n+]3C2=O)[SH]=C2C=CC=CN12 ZINC000409415795 513103397 /nfs/dbraw/zinc/10/33/97/513103397.db2.gz QFDHCMSQJVLIAX-JYJQLYRISA-N 2 0 365.459 2.678 40 10 FFCBRP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2c2ccccc2F)ccc1O ZINC000019583385 220276262 /nfs/dbraw/zinc/27/62/62/220276262.db2.gz RVGWHANUGHBVSC-NQIIRXRSSA-N 2 0 371.456 2.702 40 10 FFCBRP O=C1C(=CC=CC=CC2=[S+]c3cccc[n+]3C2=O)[SH]=C2C=CC=CN12 ZINC000409415796 513103131 /nfs/dbraw/zinc/10/31/31/513103131.db2.gz QFDHCMSQJVLIAX-XNJLMSFASA-N 2 0 365.459 2.678 40 10 FFCBRP