smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)N(C)C1CCC([C@H](C(=O)N(C)C)[C@H](N)C(=O)N2CC[C@H](F)C2)CC1 ZINC000014963977 210136736 /nfs/dbraw/zinc/13/67/36/210136736.db2.gz MJMKUVXOMGIKHO-LZYVMWMOSA-N 0 0 384.496 0.626 1 0 GCAFRN CC(C)[C@H](N)C(=O)OCN1C(=O)CC[C@@H](N2C(=O)c3ccccc3C2=O)C1=O ZINC000013911378 210095023 /nfs/dbraw/zinc/09/50/23/210095023.db2.gz CDFDXHJVZKXONN-HIFRSBDPSA-N 0 0 387.392 0.284 1 0 GCAFRN C[C@]1(O)[C@H](n2cnc3c2nc(Cl)nc3NC2CCCC2)O[C@H](CO)[C@@H]1O ZINC000013783255 210090131 /nfs/dbraw/zinc/09/01/31/210090131.db2.gz MMPAUXMIDJWGFO-NVIHGZOMSA-N 0 0 383.836 0.836 1 0 GCAFRN CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(C2CC[NH2+]CC2)=NO1)C(=O)[O-] ZINC000013763411 210090281 /nfs/dbraw/zinc/09/02/81/210090281.db2.gz UPHAJAPBEVTBTH-HIFRSBDPSA-N 0 0 398.460 0.617 1 0 GCAFRN CS(=O)(=O)N1CCC(Oc2ccccc2C(=O)N2CCNC(=O)C2)CC1 ZINC000013659317 210075264 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