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COCCc1ccc(OCC(O)CNC(C)C)cc1 metoprolol 102 50.72
O=C3CN=C(c1ccccc1)c2cc(Cl)ccc2N3 nordiazepam 99 41.46
CN3C(=O)CN=C(c1ccccc1)c2cc(Cl)ccc23 diazepam 97 32.67
C=CCOc1ccccc1OCC(O)CNC(C)C oxprenolol 97 50.72
Cc2cc(=O)n(c1ccccc1)n2C phenazone 97 26.94
O=C3Nc1ccc(Cl)cc1C(c2ccccc2)=NC3O oxazepam 97 61.69
C=CCc1ccccc1OCC(O)CNC(C)C alprenolol 96 41.49
CC(=O)Nc1ccc(OCC(O)CNC(C)C)cc1 practolol 95 70.59
CC(C)NCC(O)COc1cccc2[nH]ccc12 pindolol 92 57.28
O=C(O)c4cn(C1CC1)c3cc(N2CCNCC2)c(F)cc3c4=O ciprofloxacin 69 74.57
Cc1ccccc1N3C(=O)c2cc(S(N)(=O)=O)c(Cl)cc2NC3C metolazone 64 92.5 (+8.38 missed [S](-*)(-*)(=*)=*)
NCC1CCC(C(=O)O)CC1 tranexamic acid 55 63.32
CC(C)NCC(O)COc1ccc(CC(N)=O)cc1 atenolol 54 84.58
CCN1CCCC1CNC(=O)c2cc(S(N)(=O)=O)ccc2OC sulpiride 36 101.73 (+8.38 missed [S](-*)(-*)(=*)=*)
OCC(O)C(O)C(O)C(O)CO mannitol 26 121.37
O=C(O)P(=O)(O)O foscarnet 17 94.83 (+9,81 missed [P](-*)(-*)(=*)=*)
O=C(O)c3cc(N=Nc2ccc(S(=O)(=O)Nc1ccccn1)cc2)ccc3O sulfasalazine 12 141.32 (+8.38 missed [S](-*)(-*)(=*)=*)
O=C(O)c2cc(N=Nc1ccc(O)c(C(=O)O)c1)ccc2O olsalazine 2.3 139.78
O=C(CO)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO lactulose 0.6 197.36
OCC3OC(OCC2OC(OC1(CO)OC(CO)C(O)C1O)C(O)C(O)C2O)C(O)C(O)C3O raffinose 0.3 268.68
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