smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)Cc1ccc(C[N+](C)(C)C)c(I)c1 ZINC000169330358 717155544 /nfs/dbraw/zinc/15/55/44/717155544.db2.gz SKTWVRFMTJJUSJ-UHFFFAOYSA-N 2 0 348.272 2.704 1 5 EFBFRP Cn1c2cc[nH+]cc2c2cc(C(=O)NCC[NH+](C)C)c3ncccc3c21 ZINC000096921184 218899890 /nfs/dbraw/zinc/89/98/90/218899890.db2.gz NVYQHNMJDNJPCO-UHFFFAOYSA-N 2 0 347.422 2.566 1 5 EFBFRP C[NH+](C)CCNc1ccc(C[NH3+])c2sc3ccccc3c(=O)c12 ZINC000101483031 219127894 /nfs/dbraw/zinc/12/78/94/219127894.db2.gz ZHLMWNKEIRSOPZ-UHFFFAOYSA-N 2 0 327.453 2.847 1 5 EFBFRP [NH3+]CC[N+]12CCC(C(O)(c3ccccc3)c3ccccc3)(CC1)CC2 ZINC000045495804 717130085 /nfs/dbraw/zinc/13/00/85/717130085.db2.gz DEDANTMTMALIQM-UHFFFAOYSA-N 2 0 337.487 2.882 1 5 EFBFRP