smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccccc2oc1C(=O)OC(C[N+](C)(C)C)C[N+](C)(C)C ZINC000000546395 201485880 /nfs/dbraw/zinc/48/58/80/201485880.db2.gz BOVXAHPQUCAONJ-UHFFFAOYSA-N 2 0 334.460 2.679 50 5 EFBARP C[N+]1(CC2C(C[N+]3(C)CCCC3)C2C[N+]2(C)CCCC2)CCCC1 ZINC000585152315 479301530 /nfs/dbraw/zinc/30/15/30/479301530.db2.gz OAPDFGHZHGGQIZ-UHFFFAOYSA-N 3 0 336.588 2.570 50 5 EFBARP C[NH+]1CCC(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000585139248 479297926 /nfs/dbraw/zinc/29/79/26/479297926.db2.gz BEJKRUYKOKWOPJ-UHFFFAOYSA-N 2 0 333.432 2.780 50 5 EFBARP