smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(S(=O)(=O)N(C)CC(=O)N2CCNCC2)ccc1Br ZINC000261958102 530184830 /nfs/dbraw/zinc/18/48/30/530184830.db2.gz OGJNSBIQDOJOQW-UHFFFAOYSA-N 0 1 390.303 0.810 10 0 GCAEMN CC(=O)N1CCN(C(=O)CN[C@@](C)(CO)c2ccc(Br)cc2)CC1 ZINC000286261323 530400031 /nfs/dbraw/zinc/40/00/31/530400031.db2.gz AZPAVCJKUMLRHJ-KRWDZBQOSA-N 0 1 398.301 0.937 10 0 GCAEMN CC(=O)N1CC[C@@H](CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)C1 ZINC000563273851 530519634 /nfs/dbraw/zinc/51/96/34/530519634.db2.gz XPZZJFQWMKWOBE-NSHDSACASA-N 0 1 375.397 0.228 10 0 GCAEMN Cc1nc(CN2CCN(c3ncc(I)cn3)CC2)n[nH]1 ZINC000519678093 530599059 /nfs/dbraw/zinc/59/90/59/530599059.db2.gz JRMRFAZMFPPEIY-UHFFFAOYSA-N 0 1 385.213 0.830 10 0 GCAEMN CCN1CCC[C@@H](NC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1 ZINC000179554068 530726497 /nfs/dbraw/zinc/72/64/97/530726497.db2.gz ZBLSAQOFGKXGTQ-SNVBAGLBSA-N 0 1 385.262 0.687 10 0 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