smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Fc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000096484338 454366672 /nfs/dbraw/zinc/36/66/72/454366672.db2.gz AZVIYRVPZGGFPZ-VQTJNVASSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000096484338 454366677 /nfs/dbraw/zinc/36/66/77/454366677.db2.gz AZVIYRVPZGGFPZ-VQTJNVASSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252485839 455810054 /nfs/dbraw/zinc/81/00/54/455810054.db2.gz AZVIYRVPZGGFPZ-UXHICEINSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252485839 455810058 /nfs/dbraw/zinc/81/00/58/455810058.db2.gz AZVIYRVPZGGFPZ-UXHICEINSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000252485838 455809361 /nfs/dbraw/zinc/80/93/61/455809361.db2.gz AZVIYRVPZGGFPZ-PMACEKPBSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252485838 455809366 /nfs/dbraw/zinc/80/93/66/455809366.db2.gz AZVIYRVPZGGFPZ-PMACEKPBSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000096484337 454366332 /nfs/dbraw/zinc/36/63/32/454366332.db2.gz AZVIYRVPZGGFPZ-WOJBJXKFSA-N 2 3 345.506 3.254 40 0 EGABHP Fc1ccccc1CN1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000096484337 454366336 /nfs/dbraw/zinc/36/63/36/454366336.db2.gz AZVIYRVPZGGFPZ-WOJBJXKFSA-N 2 3 345.506 3.254 40 0 EGABHP