smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](Cc1ccccc1O)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1 ZINC000011843082 1125227253 /nfs/dbraw/zinc/22/72/53/1125227253.db2.gz BAZWCZPZUVYXBB-IBGZPJMESA-N 2 1 372.940 4.432 50 10 FICAMP C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843082 1125227261 /nfs/dbraw/zinc/22/72/61/1125227261.db2.gz BAZWCZPZUVYXBB-IBGZPJMESA-N 2 1 372.940 4.432 50 10 FICAMP C[NH+](Cc1ccccc1O)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000011843082 1125227262 /nfs/dbraw/zinc/22/72/62/1125227262.db2.gz BAZWCZPZUVYXBB-IBGZPJMESA-N 2 1 372.940 4.432 50 10 FICAMP Cc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](Cc4ccccc4O)C3)C2)c1 ZINC000053166351 571112236 /nfs/dbraw/zinc/11/22/36/571112236.db2.gz RFCAHPOQSASWCY-HSZRJFAPSA-N 2 1 350.506 4.189 50 10 FICAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](Cc4ccccc4O)C3)C2)c1 ZINC000053166351 571112237 /nfs/dbraw/zinc/11/22/37/571112237.db2.gz RFCAHPOQSASWCY-HSZRJFAPSA-N 2 1 350.506 4.189 50 10 FICAMP Cc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](Cc4ccccc4O)C3)C2)c1 ZINC000053166351 571112239 /nfs/dbraw/zinc/11/22/39/571112239.db2.gz RFCAHPOQSASWCY-HSZRJFAPSA-N 2 1 350.506 4.189 50 10 FICAMP C[NH+](C)Cc1cc(C[N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071759002 221367209 /nfs/dbraw/zinc/36/72/09/221367209.db2.gz CCCNGGILGXDTGM-IBGZPJMESA-N 2 1 370.512 4.438 50 10 FICAMP Cc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](Cc4ccccc4O)C3)C2)c1 ZINC000053166347 571112091 /nfs/dbraw/zinc/11/20/91/571112091.db2.gz RFCAHPOQSASWCY-QHCPKHFHSA-N 2 1 350.506 4.189 50 10 FICAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](Cc4ccccc4O)C3)C2)c1 ZINC000053166347 571112094 /nfs/dbraw/zinc/11/20/94/571112094.db2.gz RFCAHPOQSASWCY-QHCPKHFHSA-N 2 1 350.506 4.189 50 10 FICAMP Cc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](Cc4ccccc4O)C3)C2)c1 ZINC000053166347 571112096 /nfs/dbraw/zinc/11/20/96/571112096.db2.gz RFCAHPOQSASWCY-QHCPKHFHSA-N 2 1 350.506 4.189 50 10 FICAMP Oc1c(O)c(C[NH+]2CCCCC2)c2ccccc2c1C[NH+]1CCCCC1 ZINC000000756483 210269036 /nfs/dbraw/zinc/26/90/36/210269036.db2.gz BQIGPDXODJYUKC-UHFFFAOYSA-N 2 1 354.494 4.223 50 10 FICAMP C[NH+](CCCCCC[N@H+](C)Cc1ccccc1O)Cc1ccccc1O ZINC000001803948 570508201 /nfs/dbraw/zinc/50/82/01/570508201.db2.gz OOKVIAGCVJKVCS-UHFFFAOYSA-N 2 1 356.510 4.222 50 10 FICAMP C[NH+](C)Cc1cc(C[N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)ccc1O ZINC000071759001 221366146 /nfs/dbraw/zinc/36/61/46/221366146.db2.gz CCCNGGILGXDTGM-LJQANCHMSA-N 2 1 370.512 4.438 50 10 FICAMP