smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC[N-]c1n[n+]([O-])c2cc([N+](=O)[O-])ccc2[n+]1[O-] ZINC000005886555 181292919 /nfs/dbraw/zinc/29/29/19/181292919.db2.gz NYEUAKOHUDTNHD-UHFFFAOYSA-N 0 3 322.325 0.164 1 5 DCBFHN O=c1c2ccccc2n2nnc3ccc(NCCNCCO)c1c32 ZINC000005732911 181278706 /nfs/dbraw/zinc/27/87/06/181278706.db2.gz ZPTZQTRXGWKCLC-UHFFFAOYSA-N 0 3 323.356 0.828 1 5 DCBFHN