smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c(N)c(C(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c3cccc4=O)C2)c(=O)n(C)c1=O ZINC000217567758 570318409 /nfs/dbraw/zinc/31/84/09/570318409.db2.gz VUVBECACOAHFAU-NWDGAFQWSA-N 1 1 385.424 -0.870 40 70 GBIBMO Cn1c(N)c(C(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c3cccc4=O)C2)c(=O)n(C)c1=O ZINC000217567758 570318407 /nfs/dbraw/zinc/31/84/07/570318407.db2.gz VUVBECACOAHFAU-NWDGAFQWSA-N 1 1 385.424 -0.870 40 70 GBIBMO