smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC000832906805 601127402 /nfs/dbraw/zinc/12/74/02/601127402.db2.gz BPWIZOFHPVTJNX-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 ZINC000738276851 599966507 /nfs/dbraw/zinc/96/65/07/599966507.db2.gz CSBXCLDFCAJCMA-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM Cc1cccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c1C(=O)[O-] ZINC000738747334 600050364 /nfs/dbraw/zinc/05/03/64/600050364.db2.gz SZTSOXRKSJDYJP-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccc(C(=O)[O-])cc2)cs1 ZINC000738785234 600052370 /nfs/dbraw/zinc/05/23/70/600052370.db2.gz LZSLNUAIJYJLJV-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM Cc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1C(=O)[O-] ZINC000832956455 600828561 /nfs/dbraw/zinc/82/85/61/600828561.db2.gz BSNIWAXVEXXGQX-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM Cc1cc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)ccc1C(=O)[O-] ZINC000832904725 600975476 /nfs/dbraw/zinc/97/54/76/600975476.db2.gz YZNSXOWQAMUTOM-UHFFFAOYSA-N -1 2 374.443 3.618 20 10 FHCDLM C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1cc(Br)c(F)cc1O ZINC000756363653 942301262 /nfs/dbraw/zinc/30/12/62/942301262.db2.gz QCGHNAJHIPRBGM-SNVBAGLBSA-N -1 2 364.218 3.792 20 10 FHCDLM