smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(-n2nnnc2C[NH2+][C@@H]2CCN(C(=O)C(N)=O)C2)cc1 ZINC000969784184 668152653 /nfs/dbraw/zinc/15/26/53/668152653.db2.gz MWEVGJRJYRKARC-SNVBAGLBSA-N 1 2 345.363 -1.153 20 10 EACDLO COc1ccc(-n2nnnc2C[NH2+][C@H]2CCN(C(=O)C(N)=O)C2)cc1 ZINC001019313283 672989904 /nfs/dbraw/zinc/98/99/04/672989904.db2.gz MWEVGJRJYRKARC-JTQLQIEISA-N 1 2 345.363 -1.153 20 10 EACDLO COc1ccc(-n2nnnc2C[NH2+]C2(CNC(=O)C(N)=O)CC2)cc1 ZINC001269480428 785543438 /nfs/dbraw/zinc/54/34/38/785543438.db2.gz KNEDYJRNUWSKCQ-UHFFFAOYSA-N 1 2 345.363 -1.105 20 10 EACDLO