0 B12R1.43 CC(C(OC1=CC=CC=C1)=O)=C M10040845P [0,0,0,0,0,0|3,0,0]=3 1 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [0,0,0,0,0,0|2,0,1]=3 2 B12R1.43 O=C(NC1=CC=CC=C1)N(C)C M10002902P [0,0,0,0,0,0|4,0,0]=4 3 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,0,0,0,0,0|0,0,1]=1 4 B11R1.40 C=CC(NC1=CC=CC=C1)=O M10041239P [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 C=CC(OC1=CC=CC=C1)=O M10023704P [1,0,0,0,0,0|2,0,0]=3 6 B11R1.40 CCC(CC1=CC=CC=C1)=O M10025082P [1,0,0,0,0,0|1,0,1]=3 7 B11R1.40 NCC(NC1=CC=CC=C1)=O M10092528P [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 O=C(OC1=CC=CC=C1)CBr M10016467P [1,0,0,0,0,0|2,0,1]=4 9 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,0,0,0,0,0|1,0,1]=3 11 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [1,0,0,0,0,0|1,0,2]=4 13 B11R1.91 O=[N+](\C=C\C1=CC=CC=C1)[O-] M10263073P [1,0,0,0,0,0|1,0,2]=4 14 B11R1.91 S\C(N)=N\CC1=CC=CC=C1 M10013542P [1,0,0,0,0,0|2,1,0]=4 15 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C([O-])=O M10715592P [0,1,0,0,0,0|1,0,2]=4 16 B13R1.133 O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [0,1,0,0,0,0|0,0,0]=1 17 B13R1.133 O=C(O)C(N)CC1=CC=C(C)C=C1 M10064700P [0,1,0,0,0,0|1,0,1]=3 18 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 M10027695P [0,1,0,0,0,0|1,0,1]=3 19 B13R1.133 O=C([O-])[C@@H](N)CC1=CC=C(O)C=C1 M10436242P [0,1,0,0,0,0|1,0,2]=4 20 B13R1.148 O=C(O)C(N)CC1=CC=CC(Br)=C1 M10208881P [0,1,0,0,0,0|1,0,1]=3 21 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 M10486925P [0,1,0,0,0,0|1,0,1]=3 22 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 M10014892P [0,1,0,0,0,0|1,0,1]=3 23 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 M10637349P [0,1,0,0,0,0|1,0,1]=3 24 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10734592P [0,1,0,0,0,0|0,0,2]=3 25 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10741739P [0,1,0,0,0,0|0,0,2]=3 26 B13R1.202 CC(OC1=CC=CC=C1Cl)C(O)=O M10187966P [0,1,0,0,0,0|2,0,1]=4 27 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl M10813112P [0,1,0,0,0,0|1,0,1]=3 28 B13R1.1073 O=C(O)[C@@](C)(N)CC1=CC=CC=C1 M10179012P [0,1,0,0,0,0|1,0,1]=3 29 B13R1.1073 O=C(O)[C@](C)(N)CC1=CC=CC=C1 M10148974P [0,1,0,0,0,0|1,0,1]=3 30 B13R2.369 O=C1NC2=C(C=CC=C2)NC1=O M10138641P [0,0,0,1,0,0|2,0,0]=3 31 B13R2.369 OC1=NC2=CC=CC=C2N=C1C M10128034P [0,0,0,1,0,0|3,0,0]=4 32 B13R2.369 OC1=NC2=CC=CC=C2N=C1Cl M10228171P [0,0,0,1,0,0|3,0,0]=4 33 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [0,0,0,1,0,0|1,0,2]=4 34 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O M10053736P [0,0,0,1,0,0|3,0,0]=4 35 B13R2.435 O=C(C1=CC2=CC=CN=C2S1)O M10310809P [0,0,0,1,0,0|1,1,1]=4 36 B13R2.435 O=C(C1=NC2=CC=CC=C2N1)O M10048286P [0,0,0,1,0,0|2,0,0]=3 37 B13R2.435 O=C(C1CC2=C(C=CC=C2)C1)O M10188186P [0,0,0,1,0,0|1,0,1]=3 38 B13R2.435 O=C([C@H]1NC2=C(C=CC=C2)C1)O M10628363P [0,0,0,1,0,0|1,0,1]=3 39 B11R1.36 CC(C)C(C1=CC=CC=C1)=O M10015939P [0,0,0,0,1,0|2,0,1]=4 40 B11R1.36 CC(F)C(C1=CC=CC=C1)=O M10168847P [0,0,0,0,1,0|2,0,1]=4 41 B11R1.36 O=C(N(C)C)C1=CC=CC=C1 M10015943P [0,0,0,0,1,0|3,0,0]=4 42 B13R1.348 O=C(O)CC(N)CC1=CC=CC=C1 M10134951P [0,0,0,0,0,1|1,0,1]=3 43 B13R1.351 CC(C(OCC1=CC=CC=C1)=O)=C M10044631P [0,0,0,0,0,1|2,0,0]=3 44 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,0,0,0,0,1|0,0,0]=1 45 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|1,0,1]=4 46 B10R1.18 CC(CC1=NC=CC=C1)=O M10087968P [2,0,0,0,0,0|1,0,1]=4 47 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [2,0,0,0,0,0|1,0,1]=4 48 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [2,0,0,0,0,0|1,0,1]=4 49 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [2,0,0,0,0,0|1,0,1]=4 50 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [2,0,0,0,0,0|1,0,1]=4 51 B10R1.18 O=C(O)CC1=CN=CN=C1 M10070136P [2,0,0,0,0,0|2,0,0]=4 52 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [2,0,0,0,0,0|0,0,1]=3 53 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [2,0,0,0,0,0|0,0,1]=3 54 B12R1.34 O=C(OC)C(Br)C1=CC=CC=C1 M10050484P [1,1,0,0,0,0|2,0,0]=4 55 B12R1.34 O=C(OC)C(O)C1=CC=CC=C1 M10062314P [1,1,0,0,0,0|2,0,0]=4 56 B12R1.49 C=CC(OC1=CC=C(Br)C=C1)=O M10255283P [1,1,0,0,0,0|2,0,0]=4 57 B12R1.49 O=C(OC)CC1=CC=C(Br)C=C1 M10247030P [1,1,0,0,0,0|2,0,0]=4 58 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 M10265259P [1,1,0,0,0,0|2,0,0]=4 59 B12R1.50 O=C(OC)CC1=CC=CC(Cl)=C1 M10268727P [1,1,0,0,0,0|2,0,0]=4 60 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10267790P [1,1,0,0,0,0|2,0,0]=4 61 B12R1.50 O=C(OC)CC1=CC=CC(N)=C1 M10775534P [1,1,0,0,0,0|2,0,0]=4 62 B12R1.371 O=C(OC)CC1=CC=CC=C1Br M10295408P [1,1,0,0,0,0|2,0,0]=4 63 B12R1.371 O=C(OC)CC1=CC=CC=C1Cl M10295407P [1,1,0,0,0,0|2,0,0]=4 64 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 M10052580P [1,1,0,0,0,0|0,0,2]=4 65 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [1,1,0,0,0,0|0,0,1]=3 66 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [1,1,0,0,0,0|0,0,1]=3 67 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 M10880145P [1,1,0,0,0,0|1,0,1]=4 68 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 M10796442P [1,1,0,0,0,0|1,0,1]=4 69 B12R1.27 C=CC(NCC1=CC=CC=C1)=O M10122590P [1,1,0,0,0,0|2,0,0]=4 70 B12R1.27 C=CC(OCC1=CC=CC=C1)=O M10044630P [1,1,0,0,0,0|2,0,0]=4 71 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,1,0,0,0,0|2,0,0]=4 72 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,1,0,0,0,0|1,0,1]=4 73 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [1,1,0,0,0,0|2,0,0]=4 74 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,1,0,0,0,0|1,0,1]=4 75 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,1,0,0,0,0|1,0,1]=4 76 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [1,1,0,0,0,0|2,0,0]=4 77 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [1,1,0,0,0,0|1,0,1]=4 78 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [1,1,0,0,0,0|1,0,1]=4 79 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [1,1,0,0,0,0|2,0,0]=4 80 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10104081P [1,1,0,0,0,0|0,0,1]=3 81 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10107538P [1,1,0,0,0,0|0,0,1]=3 82 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 M10131340P [1,1,0,0,0,0|0,0,1]=3 83 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [1,1,0,0,0,0|0,0,1]=3 84 B12R1.20 O=C(O)[C@@H](C1=CC=C(Cl)C=C1)O M10216318P [0,1,0,0,1,0|0,0,2]=4 85 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O M10464100P [0,1,0,0,1,0|0,0,2]=4 86 B12R1.20 OC(C1=CC=C(Cl)C=C1)C(O)=O M10101253P [0,1,0,0,1,0|0,0,2]=4 87 B12R1.20 OC(O)C(C1=CC=C(F)C=C1)=O M10010922P [0,1,0,0,1,0|0,0,2]=4 88 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl M10205671P [0,1,0,0,1,0|1,0,1]=4 89 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl M10547303P [0,1,0,0,1,0|1,0,1]=4 90 B12R1.124 O=C(O)C(N)C1=CC=CC=C1F M10495311P [0,1,0,0,1,0|1,0,1]=4 91 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1Cl M10505642P [0,1,0,0,1,0|1,0,1]=4 92 B12R1.225 CC1=CC(C(C(O)O)=O)=CC=C1 M10707256P [0,1,0,0,1,0|0,0,2]=4 93 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 M10103510P [0,1,0,0,1,0|1,0,1]=4 94 B12R1.253 CC(C1=CC=CC=C1)(N)C(O)=O M10014252P [0,1,0,0,1,0|1,0,1]=4 95 B14R1.337 CC(CC(NC1=CC=CC=C1Cl)=O)=O M10002244P [0,1,0,0,0,1|2,0,0]=4 96 B14R1.425 O=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1 M10308118P [0,1,0,0,0,1|1,0,1]=4 97 B14R1.698 CC(CC(NC1=CC=C(C)C=C1)=O)=O M10043589P [0,1,0,0,0,1|2,0,0]=4 98 B14R1.698 CC(CC(NC1=CC=C(Cl)C=C1)=O)=O M10002943P [0,1,0,0,0,1|2,0,0]=4 99 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,1,0,0,0,1|1,0,1]=4 100 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(CC)C=C1 M10191840P [0,2,0,0,0,0|1,0,1]=4 101 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(CC)C=C1 M10944691P [0,2,0,0,0,0|1,0,1]=4 102 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 M10240886P [0,2,0,0,0,0|1,0,1]=4 103 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(O)=C1 M10080506P [0,2,0,0,0,0|1,0,1]=4 104 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 M10465231P [0,2,0,0,0,0|0,0,2]=4 105 B14R1.85 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(OC)=O M10734176P [0,2,0,0,0,0|0,0,2]=4 106 B14R1.153 O=C(O)[C@@H](N)CC1=CC=CC(F)=C1F M10849266P [0,2,0,0,0,0|1,0,1]=4 107 B12R2.18 O=C1C(C2=CC=CN=C2N1)=O M10078714P [1,0,0,1,0,0|2,0,0]=4 108 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [1,0,0,1,0,0|0,0,0]=2 109 B12R2.24 O=C1OCC2=C(C=CC=C2)C1 M10062650P [1,0,0,1,0,0|2,0,0]=4 110 B12R2.32 O=CC1=NC2=CC=CC=C2S1 M10094911P [1,0,0,1,0,0|1,1,0]=4 111 B12R2.32 O=CC=1NC2=C(C1)C=CC=C2 M10158452P [1,0,0,1,0,0|1,0,1]=4 112 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [1,0,0,1,0,0|0,0,1]=3 113 B14R2.598 O=C1NC(C(C2=CC=CC=C2)N1)=O M10001888P [0,0,0,1,0,1|1,0,0]=3 114 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,0,0,1,0,1|1,0,1]=4 115 B14R2.642 O=C(C1=C(C)NC2=C1C=CC=C2)O M10389875P [0,0,0,1,0,1|2,0,0]=4 116 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 M10357725P [0,0,0,1,0,1|0,0,2]=4 117 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 M10217671P [0,0,0,1,0,1|1,0,1]=4 118 B14R2.781 O=C(C1=CC2=C(C=N1)C=CC=C2)O M10830750P [0,0,0,1,0,1|1,0,1]=4 119 B14R2.781 O=C(C1=CC2=CC=CC=C2OC1)O M10809857P [0,0,0,1,0,1|1,0,0]=3 120 B14R2.781 O=C(C1CCC2=C(O1)C=CC=C2)O M10262611P [0,0,0,1,0,1|0,0,2]=4 121 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O M10223704P [0,0,0,1,0,1|0,0,2]=4 122 B14R2.781 O=C([C@H]1OC2=CC=CC=C2OC1)O M10440552P [0,0,0,1,0,1|0,0,2]=4 123 B14R2.4529 O=C(C1=CC2=CC(N)=CC=C2O1)O M10250055P [0,1,0,1,0,0|0,0,2]=4 124 B14R2.4529 O=C(C1=NC2=CC(Br)=CC=C2N1)O M10241982P [0,1,0,1,0,0|2,0,0]=4 125 B14R2.4529 O=C(C1=NC2=CC=C(Br)C=C2S1)O M10109420P [0,1,0,1,0,0|1,1,0]=4 126 B14R2.4529 O=C(C1=NC2=CC=C(Cl)C=C2S1)O M10056205P [0,1,0,1,0,0|1,1,0]=4 127 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O M10113325P [0,1,0,1,0,0|1,0,1]=4 128 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O M10241468P [0,1,0,1,0,0|1,0,1]=4 129 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC M10080602P [0,1,0,1,0,0|2,0,0]=4 130 B14R2.7969 O=C(C1=NC2=C(C)C=CC=C2N1)O M10937320P [0,1,0,1,0,0|2,0,0]=4 131 B14R2.7969 O=C(C1=NC2=C(F)C=CC=C2S1)O M10883818P [0,1,0,1,0,0|1,1,0]=4 132 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O M10010100P [0,1,0,1,0,0|1,0,1]=4 133 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O M10010099P [0,1,0,1,0,0|1,0,1]=4 134 B14R2.450 O=C(C1=C(C)C2=CC=CC=C2S1)O M10051454P [0,1,0,1,0,0|0,1,1]=4 135 B14R2.450 O=C(C=1NC2=C(C1Br)C=CC=C2)O M10203373P [0,1,0,1,0,0|1,0,1]=4 136 B14R2.450 O=C(C=1NC2=C(C1Cl)C=CC=C2)O M10203372P [0,1,0,1,0,0|1,0,1]=4 137 B14R2.789 O=C(C1(N)CC2=C(C=CC=C2)C1)O M10198302P [0,1,0,1,0,0|1,0,1]=4 138 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,1,0|1,0,1]=4 139 B10R1.15 NCC(C1=CC=CC=C1)=O M10016076P [1,0,0,0,1,0|1,0,1]=4 140 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,1,0|1,0,1]=4 141 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [1,0,0,0,1,0|1,0,1]=4 142 B10R1.23 O=C(C1=CC=CO1)C(O)=O M10031239P [0,0,0,0,2,0|1,0,0]=3 143 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [1,0,0,0,0,1|1,0,1]=4 144 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [1,0,0,0,0,1|0,0,2]=4 145 B14R1.818 CC(CC(OCC1=CC=CC=C1)=O)=O M10072642P [0,0,0,0,0,2|1,0,0]=3 146 B14R1.818 O=C(C)CC(NCC1=CC=CC=C1)=O M12060215P [0,0,0,0,0,2|1,0,0]=3 147 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(O)=O M10709404P [0,0,0,0,0,2|1,0,1]=4