smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CC[NH+](CCOC)CC1)C2 ZINC000049171881 519282166 /nfs/dbraw/zinc/28/21/66/519282166.db2.gz UVDIBTKJUCOEFZ-GOTSBHOMSA-N 2 2 438.616 3.219 40 30 biogenic,in-vitro IGEBLP CCN(CC)c1ccc(C=[NH+]NC(=N)C(=N)N[NH+]=Cc2ccc(N(CC)CC)cc2)cc1 ZINC000033750410 556567400 /nfs/dbraw/zinc/56/74/00/556567400.db2.gz DJQXAHHVHYDKCQ-HJTNQMAYSA-N 2 2 434.592 3.461 40 30 IGEBLP CCN(CC)c1ccc(C=[NH+]NC(=N)C(=N)N[NH+]=Cc2ccc(N(CC)CC)cc2)cc1 ZINC000033750412 556567781 /nfs/dbraw/zinc/56/77/81/556567781.db2.gz DJQXAHHVHYDKCQ-HJVIKEODSA-N 2 2 434.592 3.461 40 30 IGEBLP