smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]3c3ccc(C(N)=O)s3)cc2)CC1 ZINC000019228720 207108809 /nfs/dbraw/zinc/10/88/09/207108809.db2.gz GGXATKZRYDYOSQ-SFHVURJKSA-N 2 0 384.549 2.936 50 10 GFCARP C[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)CC1 ZINC000067629729 211012827 /nfs/dbraw/zinc/01/28/27/211012827.db2.gz IHJWBPUYZAMASJ-UHFFFAOYSA-N 2 0 392.547 2.964 50 10 GFCARP