smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@H](O)c2ccccc2)cc1OC ZINC000004244683 569071073 /nfs/dbraw/zinc/07/10/73/569071073.db2.gz ALRIISLBGAVYMO-JOCHJYFZSA-N -1 1 413.495 3.895 30 0 HHACMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2[C@@H](O)c2ccccc2)OCCO3)cc1 ZINC000004244680 569071070 /nfs/dbraw/zinc/07/10/70/569071070.db2.gz SCKBXDTUOHBMOY-QFIPXVFZSA-N -1 1 411.479 3.649 30 0 HHACMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2[C@H](O)c2ccccc2)OCCO3)cc1 ZINC000004244679 569071089 /nfs/dbraw/zinc/07/10/89/569071089.db2.gz SCKBXDTUOHBMOY-JOCHJYFZSA-N -1 1 411.479 3.649 30 0 HHACMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c([C@@H](O)c2ccccc2)cc1OC ZINC000002283784 569282646 /nfs/dbraw/zinc/28/26/46/569282646.db2.gz ALRIISLBGAVYMO-QFIPXVFZSA-N -1 1 413.495 3.895 30 0 HHACMM COc1cc([N-]S(=O)(=O)c2ccc(C)cc2)c(-c2nc(N)sc2C)cc1OC ZINC000004244707 569071149 /nfs/dbraw/zinc/07/11/49/569071149.db2.gz XMQSNEOXYMRXRW-UHFFFAOYSA-N -1 1 419.528 3.827 30 0 HHACMM