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+]1(N)Cc2ccccc2C1 1694680 171000763 /nfs/dbraw/zinc/00/07/63/171000763.db2.gz QFWCEJBVXKVFJS-UHFFFAOYSA-N 1 1 149.217 1.021 50 5 ADBAMO C[N+](C)(N)Cc1ccccc1 399040 229142203 /nfs/dbraw/zinc/14/22/03/229142203.db2.gz MMSSKRCNXSULMI-UHFFFAOYSA-N 1 1 151.233 1.137 50 5 ADBAMO CN(C)[C@@H]1CCCC[C@@H]1[N+](C)(C)C 1744480 342963349 /nfs/dbraw/zinc/96/33/49/342963349.db2.gz AJCHFTHMJBIOBH-MNOVXSKESA-N 1 1 185.335 1.565 50 5 ADBAMO CN(C)[C@@H]1CCCC[C@H]1[N+](C)(C)C 1744477 342963428 /nfs/dbraw/zinc/96/34/28/342963428.db2.gz AJCHFTHMJBIOBH-GHMZBOCLSA-N 1 1 185.335 1.565 50 5 ADBAMO CN(C)[C@H]1CCCC[C@H]1[N+](C)(C)C 1744475 342963530 /nfs/dbraw/zinc/96/35/30/342963530.db2.gz AJCHFTHMJBIOBH-WDEREUQCSA-N 1 1 185.335 1.565 50 5 ADBAMO CN(C)[C@H]1CCCC[C@@H]1[N+](C)(C)C 1744478 342963557 /nfs/dbraw/zinc/96/35/57/342963557.db2.gz AJCHFTHMJBIOBH-QWRGUYRKSA-N 1 1 185.335 1.565 50 5 ADBAMO C[NH+](C)/C=C/c1ccncc1[N+](=O)[O-] 54960077 343332081 /nfs/dbraw/zinc/33/20/81/343332081.db2.gz YYUSZTQRCCAPDJ-GQCTYLIASA-N 1 1 193.206 1.522 50 5 ADBAMO