smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)C1=C(O)CC(=O)[C@H]2CCCC[C@H]12 ZINC000004879614 342753963 /nfs/dbraw/zinc/75/39/63/342753963.db2.gz MRQAPASIOWPHFB-LAEOZQHASA-N -1 1 224.256 1.607 40 30 BDEBMM C=CCC1([C@H](C)/C=C/C)C(=O)[N-]C(=O)NC1=O ZINC000001714787 187364653 /nfs/dbraw/zinc/36/46/53/187364653.db2.gz GLTRRADIYYHNNJ-YZCDNWJKSA-N -1 1 236.271 1.127 40 30 BDEBMM C[C@@H](CN=Nc1nn[n-]n1)c1ccccc1 ZINC000006467689 346649233 /nfs/dbraw/zinc/64/92/33/346649233.db2.gz WHDGXYMSPXPCPZ-LBTPYSACSA-N -1 1 216.248 1.401 40 30 BDEBMM C=CC[C@@]1(CCC)C(=O)[N-]C(=S)NC1=O ZINC000005561307 188051844 /nfs/dbraw/zinc/05/18/44/188051844.db2.gz DDRGZRTWUVSTFG-UHFFFAOYSA-N -1 1 226.301 1.291 40 30 BDEBMM C=CC[C@]1(CCC)C(=O)[N-]C(=S)NC1=O ZINC000005561307 188051847 /nfs/dbraw/zinc/05/18/47/188051847.db2.gz DDRGZRTWUVSTFG-UHFFFAOYSA-N -1 1 226.301 1.291 40 30 BDEBMM CCCC(C)N=Nc1nc(C)cc(=O)[n-]1 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