smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(CN3CCC[C@@H](C[NH3+])C3)cc3cc4c(cc3c2c1)OCO4 ZINC000043079924 205082721 /nfs/dbraw/zinc/08/27/21/205082721.db2.gz AFSKFEIFCBGZOV-HNNXBMFYSA-N 1 3 378.472 3.901 1 5 GHBFHO CC[NH+](CC)C[C@H](O)CNc1nccc2c(C)c3nc4cc[nH]cc-4c3cc21 ZINC000005139348 204114563 /nfs/dbraw/zinc/11/45/63/204114563.db2.gz ZAMYMBBINBOWQT-OAHLLOKOSA-N 1 3 377.492 3.687 1 5 GHBFHO CC[NH+](CC)C[C@H](O)CNc1nccc2c(C)c3[nH]c4ccncc4c3cc21 ZINC000005139348 204114565 /nfs/dbraw/zinc/11/45/65/204114565.db2.gz ZAMYMBBINBOWQT-OAHLLOKOSA-N 1 3 377.492 3.687 1 5 GHBFHO