smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNC(=[NH2+])N[C@@H](CC(C)=CC[C@@]12O[C@]1(C(=O)OC)C(=O)c1ccccc1C2=O)c1ccnc(NC[NH2+]C)c1 ZINC000085592682 291706878 /nfs/dbraw/zinc/70/68/78/291706878.db2.gz UZSPNQWCJVDCNX-ZHMNUBHOSA-N 2 1 520.590 1.942 1 10 biogenic,in-vitro KDCFMP CC(=O)OCC[NH+]1CCN(c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CC[NH2+]3)cc2)CC1 ZINC000113089808 562826191 /nfs/dbraw/zinc/82/61/91/562826191.db2.gz NMUFRCQSAXYSAC-AREMUKBSSA-N 2 1 535.624 1.817 1 10 KDCFMP