smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(CN2CCC(CNC(=[NH2+])N(C)C3CC3)CC2)cc1 ZINC000252482414 464960616 /nfs/dbraw/zinc/96/06/16/464960616.db2.gz DETLTEHVQKJQKV-UHFFFAOYSA-N 1 3 330.476 2.316 40 30 EEEBHO C=C(C)C[NH+]1CCC(NC(=O)CC2(N3CCOCC3)CCCC2)CC1 ZINC000073436838 216386279 /nfs/dbraw/zinc/38/62/79/216386279.db2.gz FKGRWZRUOTUSIE-UHFFFAOYSA-N 1 3 349.519 2.178 40 30 EEEBHO