smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205109515 913675690 /nfs/dbraw/zinc/67/56/90/913675690.db2.gz HIUFZVFVSJHZTR-INIZCTEOSA-N 2 3 288.439 1.409 20 10 CDCDHP c1cc(N2CC[NH2+]CC2)ccc1CN[C@@H]1CCC[NH2+]CC1 ZINC001246171129 948004478 /nfs/dbraw/zinc/00/44/78/948004478.db2.gz BRQWEUPNAITCRE-MRXNPFEDSA-N 2 3 288.439 1.328 20 10 CDCDHP [NH3+][C@@H]1CCCN(Cc2ccc(N3CC[NH2+]CC3)cc2)CC1 ZINC001205109516 913675802 /nfs/dbraw/zinc/67/58/02/913675802.db2.gz HIUFZVFVSJHZTR-MRXNPFEDSA-N 2 3 288.439 1.409 20 10 CDCDHP c1cc(N2CC[NH2+]CC2)ccc1CN[C@H]1CCC[NH2+]CC1 ZINC001246171128 948006174 /nfs/dbraw/zinc/00/61/74/948006174.db2.gz BRQWEUPNAITCRE-INIZCTEOSA-N 2 3 288.439 1.328 20 10 CDCDHP