smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000218398076 568231964 /nfs/dbraw/zinc/23/19/64/568231964.db2.gz YCDVZEKDTSRNFF-QGZVFWFLSA-N -1 0 360.479 3.556 40 70 FHIBRM CC(C)c1ccc(CCCNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000218400766 568232216 /nfs/dbraw/zinc/23/22/16/568232216.db2.gz DLEBQGBIKSAEKU-UHFFFAOYSA-N -1 0 374.506 3.544 40 70 FHIBRM CC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C)c(C)c1 ZINC000218398166 222681439 /nfs/dbraw/zinc/68/14/39/222681439.db2.gz YCDVZEKDTSRNFF-KRWDZBQOSA-N -1 0 360.479 3.556 40 70 FHIBRM CC[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C)cc1C ZINC000218398277 568232046 /nfs/dbraw/zinc/23/20/46/568232046.db2.gz LZJULUDGNPZESW-QGZVFWFLSA-N -1 0 360.479 3.556 40 70 FHIBRM CC[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(C)cc1C ZINC000218398362 222681795 /nfs/dbraw/zinc/68/17/95/222681795.db2.gz LZJULUDGNPZESW-KRWDZBQOSA-N -1 0 360.479 3.556 40 70 FHIBRM