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(Cc2ccccc2)CCC[C@H]1c1ccc(N)[nH+]c1 ZINC000245380052 376802912 /nfs/dbraw/zinc/80/29/12/376802912.db2.gz PUHXBHUWCKYEFK-OXJNMPFZSA-N 2 2 268.384 3.146 50 5 biogenic,in-vitro CGBALP C[N@@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000245380054 376802372 /nfs/dbraw/zinc/80/23/72/376802372.db2.gz PUHXBHUWCKYEFK-UZLBHIALSA-N 2 2 268.384 3.146 50 5 biogenic,in-vitro CGBALP C[N@@+]1(Cc2ccccc2)CCC[C@H]1c1ccc(N)[nH+]c1 ZINC000245380051 376802849 /nfs/dbraw/zinc/80/28/49/376802849.db2.gz PUHXBHUWCKYEFK-JXFKEZNVSA-N 2 2 268.384 3.146 50 5 biogenic,in-vitro CGBALP C[N@+]1(Cc2ccccc2)CCC[C@@H]1c1ccc(N)[nH+]c1 ZINC000245380053 376802589 /nfs/dbraw/zinc/80/25/89/376802589.db2.gz PUHXBHUWCKYEFK-OXQOHEQNSA-N 2 2 268.384 3.146 50 5 biogenic,in-vitro CGBALP