smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CCN(C)[C@@H](C)C2)cc1 ZINC000052962028 136124799 /nfs/dbraw/zinc/12/47/99/136124799.db2.gz LKVQAMHRWJYSED-KRWDZBQOSA-N 1 3 374.532 5.044 1 0 FKAFHO Cc1cccc2[nH+]c(C)c(C)c(Nc3ccc(N4CCN(C)[C@H](C)C4)cc3)c12 ZINC000052962030 136124775 /nfs/dbraw/zinc/12/47/75/136124775.db2.gz JLEBPSNYUGYMNN-QGZVFWFLSA-N 1 3 374.532 5.044 1 0 FKAFHO Cc1ccc2c(c1)[nH+]c(C)c(C)c2Nc1ccc(N2CCN(C)[C@H](C)C2)cc1 ZINC000053033641 136124739 /nfs/dbraw/zinc/12/47/39/136124739.db2.gz LKVQAMHRWJYSED-QGZVFWFLSA-N 1 3 374.532 5.044 1 0 FKAFHO Cc1[nH+]c2ccccc2c(Nc2ccc(N3CCN(C)CC3)cc2)c1C(C)C ZINC000053255565 136124697 /nfs/dbraw/zinc/12/46/97/136124697.db2.gz JLIOUCZCOQHOPO-UHFFFAOYSA-N 1 3 374.532 5.162 1 0 FKAFHO