smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CO[C@]1(C)C[NH2+]CC(C)(C)NC(=O)[C@@](C)(OC)C[NH2+]CC(C)(C)NC1=O ZINC000005741520 207114710 /nfs/dbraw/zinc/11/47/10/207114710.db2.gz XZHCFUDUNBPION-HDICACEKSA-N 2 2 372.510 -0.221 1 0 FBAFLP CO[C@@]1(C)C[NH2+]CC(C)(C)NC(=O)[C@@](C)(OC)C[NH2+]CC(C)(C)NC1=O ZINC000005741525 207114634 /nfs/dbraw/zinc/11/46/34/207114634.db2.gz XZHCFUDUNBPION-ROUUACIJSA-N 2 2 372.510 -0.221 1 0 FBAFLP O=C(NCC[NH2+]CCC[NH2+]CCNC(=O)C(F)(F)F)C(F)(F)F ZINC000058538247 221120842 /nfs/dbraw/zinc/12/08/42/221120842.db2.gz OOCHSWKGVKRYIA-UHFFFAOYSA-N 2 2 352.279 -0.087 1 0 FBAFLP