smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]CCn1nc2c3c1ccc(NCC[NH2+]CCO)c3C(=O)c1c(O)ccc(O)c1-2 ZINC000028758879 204880089 /nfs/dbraw/zinc/88/00/89/204880089.db2.gz QJEFNLCGNXGNMY-UHFFFAOYSA-N 2 0 397.435 0.611 1 10 GCCFRP C[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH2+]C)c2c1C(=O)c1ccccc1C2=O ZINC000005996294 204161417 /nfs/dbraw/zinc/16/14/17/204161417.db2.gz PSRHMTWVKZCJMJ-UHFFFAOYSA-N 2 0 380.404 0.778 1 10 GCCFRP C[NH2+]CCNc1ccc2c3c(nn2CC[NH2+]CCO)-c2cnccc2C(=O)c31 ZINC000001538986 206385286 /nfs/dbraw/zinc/38/52/86/206385286.db2.gz PMGQHDIXCJMHRO-UHFFFAOYSA-N 2 0 380.452 0.856 1 10 in-man GCCFRP