smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2cccc([N+](=O)[O-])c2)c1 ZINC000001703366 534962089 /nfs/dbraw/zinc/96/20/89/534962089.db2.gz RWKJNXZSLJHMOW-UHFFFAOYSA-N 2 1 412.450 2.628 40 5 HFBBMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(OCCCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000001704131 534962607 /nfs/dbraw/zinc/96/26/07/534962607.db2.gz RIENOKZCFDAIQG-UHFFFAOYSA-N 2 1 412.450 2.628 40 5 HFBBMP