smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CCN1CC=C(c2ccccc2)CC1 13729347 166020101 /nfs/dbraw/zinc/02/01/01/166020101.db2.gz SNBCJSMRUFYWRI-UHFFFAOYSA-N 0 1 197.281 2.409 1 30 AEEFMN C/C=C/[C@@]1(C)SC(=O)C=C1O 101124273 166065347 /nfs/dbraw/zinc/06/53/47/166065347.db2.gz WCAZDOJNGAPMKK-MPJRPATESA-N 0 1 170.233 2.037 1 30 AEEFMN C/C=C/[C@]1(C)SC(=O)C=C1O 101451572 166066823 /nfs/dbraw/zinc/06/68/23/166066823.db2.gz WCAZDOJNGAPMKK-RTMURIBGSA-N 0 1 170.233 2.037 1 30 AEEFMN C=CC[N+](C)(C)c1ccccc1[O-] 27451 166207106 /nfs/dbraw/zinc/20/71/06/166207106.db2.gz NBCQROXLJLVMLS-UHFFFAOYSA-O 0 1 178.255 2.145 1 30 AEEFMN CC/C=C/[C@@]1(C)SC(=O)C=C1O 101450538 171145704 /nfs/dbraw/zinc/14/57/04/171145704.db2.gz CFSQLTVSOWPOHH-XNPJLODASA-N 0 1 184.260 2.427 1 30 AEEFMN