smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973074 563114911 /nfs/dbraw/zinc/11/49/11/563114911.db2.gz YWBLGTCJZAKPEP-NXEZZACHSA-N -2 2 440.376 1.034 1 10 IDCFLL CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973074 563114912 /nfs/dbraw/zinc/11/49/12/563114912.db2.gz YWBLGTCJZAKPEP-NXEZZACHSA-N -2 2 440.376 1.034 1 10 IDCFLL O=C1NC(=S)S[C@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040379398 563099524 /nfs/dbraw/zinc/09/95/24/563099524.db2.gz QYJISLYMHMHTOH-YUMQZZPRSA-N -2 2 431.752 1.622 1 10 IDCFLL O=C1NC(=S)S[C@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040379398 563099525 /nfs/dbraw/zinc/09/95/25/563099525.db2.gz QYJISLYMHMHTOH-YUMQZZPRSA-N -2 2 431.752 1.622 1 10 IDCFLL CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973075 563114951 /nfs/dbraw/zinc/11/49/51/563114951.db2.gz YWBLGTCJZAKPEP-UWVGGRQHSA-N -2 2 440.376 1.034 1 10 IDCFLL CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973075 563114952 /nfs/dbraw/zinc/11/49/52/563114952.db2.gz YWBLGTCJZAKPEP-UWVGGRQHSA-N -2 2 440.376 1.034 1 10 IDCFLL O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040379399 563099536 /nfs/dbraw/zinc/09/95/36/563099536.db2.gz QYJISLYMHMHTOH-SFYZADRCSA-N -2 2 431.752 1.622 1 10 IDCFLL O=C1NC(=S)S[C@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040379399 563099538 /nfs/dbraw/zinc/09/95/38/563099538.db2.gz QYJISLYMHMHTOH-SFYZADRCSA-N -2 2 431.752 1.622 1 10 IDCFLL CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973072 563114916 /nfs/dbraw/zinc/11/49/16/563114916.db2.gz YWBLGTCJZAKPEP-VHSXEESVSA-N -2 2 440.376 1.034 1 10 IDCFLL CN(C)c1ccc([C@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@H]2SC(=S)NC2=O)cc1 ZINC000040973072 563114917 /nfs/dbraw/zinc/11/49/17/563114917.db2.gz YWBLGTCJZAKPEP-VHSXEESVSA-N -2 2 440.376 1.034 1 10 IDCFLL O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040379397 563099542 /nfs/dbraw/zinc/09/95/42/563099542.db2.gz QYJISLYMHMHTOH-HTQZYQBOSA-N -2 2 431.752 1.622 1 10 IDCFLL O=C1NC(=S)S[C@@H]1[C@@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040379397 563099543 /nfs/dbraw/zinc/09/95/43/563099543.db2.gz QYJISLYMHMHTOH-HTQZYQBOSA-N -2 2 431.752 1.622 1 10 IDCFLL CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@](=O)([O-])O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973077 563114922 /nfs/dbraw/zinc/11/49/22/563114922.db2.gz YWBLGTCJZAKPEP-ZJUUUORDSA-N -2 2 440.376 1.034 1 10 IDCFLL CN(C)c1ccc([C@@H](C(P(=O)([O-])O)[P@@](=O)([O-])O)[C@@H]2SC(=S)NC2=O)cc1 ZINC000040973077 563114921 /nfs/dbraw/zinc/11/49/21/563114921.db2.gz YWBLGTCJZAKPEP-ZJUUUORDSA-N -2 2 440.376 1.034 1 10 IDCFLL O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@](=O)([O-])O ZINC000040379396 563099369 /nfs/dbraw/zinc/09/93/69/563099369.db2.gz QYJISLYMHMHTOH-JGVFFNPUSA-N -2 2 431.752 1.622 1 10 IDCFLL O=C1NC(=S)S[C@@H]1[C@H](c1ccccc1Cl)C(P(=O)([O-])O)[P@@](=O)([O-])O ZINC000040379396 563099371 /nfs/dbraw/zinc/09/93/71/563099371.db2.gz QYJISLYMHMHTOH-JGVFFNPUSA-N -2 2 431.752 1.622 1 10 IDCFLL