smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2c(cc1OC)C[N@@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844509 717181371 /nfs/dbraw/zinc/18/13/71/717181371.db2.gz BLEMVENWQNSXTK-MHZLTWQESA-N 2 0 414.590 3.843 1 5 HHBFRP C(CCCCCN1CC[N+]2(CCCC2)CC1)CCCCN1CC[N+]2(CCCC2)CC1 ZINC000029464581 717119484 /nfs/dbraw/zinc/11/94/84/717119484.db2.gz CXHNJRAQDFNQHG-UHFFFAOYSA-N 2 0 420.730 3.960 1 5 HHBFRP CC(C)(C)c1cc(I)c2c(c1)C[N+](C)(C)C1(CC[NH2+]CC1)O2 ZINC000039318377 717126791 /nfs/dbraw/zinc/12/67/91/717126791.db2.gz WUBOPBYZSXVHBH-UHFFFAOYSA-N 2 0 415.339 3.637 1 5 HHBFRP COc1cc2c(cc1OC)C[N@+](C)(CCCCCCc1cccc(OC)[n+]1C)CC2 ZINC000299844508 717181267 /nfs/dbraw/zinc/18/12/67/717181267.db2.gz BLEMVENWQNSXTK-HHHXNRCGSA-N 2 0 414.590 3.843 1 5 HHBFRP