smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCNC(=O)C[N+]12CC[N+](CC(=O)NCCOC)(CC1)CC2 ZINC000003279509 374641291 /nfs/dbraw/zinc/64/12/91/374641291.db2.gz VPLRITJVNPOEJX-UHFFFAOYSA-P 2 0 344.456 -1.828 50 30 EAEARP CNC(NCCC[NH2+]CCC[NH2+]CCCNC(NC)=[NH+]C)=[NH+]C ZINC000034893196 374619106 /nfs/dbraw/zinc/61/91/06/374619106.db2.gz UECHIPVWNJCQJH-UHFFFAOYSA-N 4 0 328.509 -1.075 50 30 in-vivo EAEARP