0 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(N)=O M10415967P [0,0,0,0,0,0|1,0,0]=1 1 B12R1.43 O=C([O-])C(CC1=CC=CC=C1)=O M10262011P [0,0,0,0,0,0|1,0,2]=3 2 B11R1.91 CN(C)CCC1=CC=CC=C1 M10113667P [1,0,0,0,0,0|3,0,0]=4 3 B11R1.91 O=C(Cl)CSC1=CC=NC=C1 M10197199P [1,0,0,0,0,0|3,0,0]=4 4 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 M10192599P [1,0,0,0,0,0|2,0,0]=3 5 B11R1.91 O=C(O)CCC1=NC=CC=C1 M10135517P [1,0,0,0,0,0|1,0,0]=2 6 B11R1.91 O=C(O)COC1=CC=CC=C1 M10190227P [1,0,0,0,0,0|1,0,0]=2 7 B11R1.91 O=[N+](CCC1=CC=CC=C1)[O-] M10084031P [1,0,0,0,0,0|1,0,1]=3 8 B11R1.91 S\C(N)=N\CC1=CC=CC=C1 M10013542P [1,0,0,0,0,0|2,1,0]=4 9 B13R1.133 N[C@@H](CC1=CC=C(C=C1)O)C([O-])=O M10715592P [0,1,0,0,0,0|0,0,1]=2 10 B13R1.133 O=C(O)C(CC1=CC=C(O)C=C1)=O M10005776P [0,1,0,0,0,0|1,0,1]=3 11 B13R1.133 O=C(O)C(N)CC1=CC=C(C)C=C1 M10064700P [0,1,0,0,0,0|0,0,0]=1 12 B13R1.133 O=C(O)[C@@H](N)CC1=CC=C(F)C=C1 M10027695P [0,1,0,0,0,0|0,0,0]=1 13 B13R1.133 O=C([O-])[C@@H](N)CC1=CC=C(O)C=C1 M10436242P [0,1,0,0,0,0|0,0,1]=2 14 B13R1.148 O=C(O)C(N)CC1=CC=CC(Br)=C1 M10208881P [0,1,0,0,0,0|0,0,0]=1 15 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(Br)=C1 M10486925P [0,1,0,0,0,0|0,0,0]=1 16 B13R1.148 O=C(O)[C@@H](N)CC1=CC=CC(O)=C1 M10014892P [0,1,0,0,0,0|0,0,0]=1 17 B13R1.148 O=C(O)[C@H](N)CC1=CC=CC(Br)=C1 M10637349P [0,1,0,0,0,0|0,0,0]=1 18 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10734592P [0,1,0,0,0,0|1,0,0]=2 19 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(O)=O M10741739P [0,1,0,0,0,0|1,0,0]=2 20 B13R1.202 CC(OC1=CC=CC=C1Cl)C(O)=O M10187966P [0,1,0,0,0,0|2,0,0]=3 21 B13R1.202 O=C(O)[C@@H](N)CC1=CC=CC=C1Cl M10813112P [0,1,0,0,0,0|0,0,0]=1 22 B13R1.1073 O=C(O)[C@@](C)(N)CC1=CC=CC=C1 M10179012P [0,1,0,0,0,0|0,0,0]=1 23 B13R1.1073 O=C(O)[C@](C)(N)CC1=CC=CC=C1 M10148974P [0,1,0,0,0,0|0,0,0]=1 24 B13R2.373 O=C1N[C@@H](C2=CC=CC=C2)[C@H]1O M10734473P [0,0,0,1,0,0|2,0,0]=3 25 B13R2.435 CC(C1=NC2=CC=CC=C2N1)=O M10053736P [0,0,0,1,0,0|2,0,1]=4 26 B13R2.435 O=C(C1=NC2=CC=CC=C2N1)O M10048286P [0,0,0,1,0,0|1,0,1]=3 27 B13R2.435 O=C(C1CC2=C(C=CC=C2)C1)O M10188186P [0,0,0,1,0,0|1,0,0]=2 28 B13R2.435 O=C([C@H]1NC2=C(C=CC=C2)C1)O M10628363P [0,0,0,1,0,0|0,0,0]=1 29 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 M10025085P [0,0,0,0,1,0|2,0,0]=3 30 B11R1.35 O=C(O)[C@@H](N)CC1=CNC=N1 M11198955P [0,0,0,0,1,0|2,0,0]=3 31 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 M10130937P [0,0,0,0,1,0|3,0,0]=4 32 B13R1.348 O=C(O)CC(N)CC1=CC=CC=C1 M10134951P [0,0,0,0,0,1|0,0,0]=1 33 B13R1.351 O=C(O)C(CCC1=CC=CC=C1)=O M10019213P [0,0,0,0,0,1|1,0,1]=3 34 B10R1.17 C=CCCC1=CC=CC=C1 M10020323P [2,0,0,0,0,0|1,0,0]=3 35 B10R1.17 CNCCC1=CC=CC=C1 M10060073P [2,0,0,0,0,0|2,0,0]=4 36 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 M10309731P [2,0,0,0,0,0|2,0,0]=4 37 B10R1.18 CC(O)CC1=CC=CC=C1 M10018807P [2,0,0,0,0,0|1,0,0]=3 38 B10R1.18 CC(O)CC1=CC=CC=C1 M10133834P [2,0,0,0,0,0|1,0,0]=3 39 B10R1.18 C[C@@H](O)CC1=CC=CC=C1 M10032962P [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 C[C@H](O)CC1=CC=CC=C1 M10032105P [2,0,0,0,0,0|1,0,0]=3 41 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10003981P [2,0,0,0,0,0|1,0,1]=4 42 B10R1.18 O=C([O-])CC1=CC=CC=C1 M10119708P [2,0,0,0,0,0|1,0,1]=4 43 B12R1.49 OCC(N)CC1=CC=C(Cl)C=C1 M10227193P [1,1,0,0,0,0|0,0,1]=3 44 B12R1.50 OCC(N)CC1=CC=CC(Cl)=C1 M10234610P [1,1,0,0,0,0|0,0,1]=3 45 B12R1.118 OC[C@@H](NC)CC1=CC=CC=C1 M10499013P [1,1,0,0,0,0|0,0,1]=3 46 B12R1.371 OCC(N)CC1=CC=CC=C1Cl M10234611P [1,1,0,0,0,0|0,0,1]=3 47 B12R1.21 O=C(Cl)COC1=CC=C(Cl)C=C1 M10060252P [1,1,0,0,0,0|2,0,0]=4 48 B12R1.21 O=C(O)C#CC1=CC=C(Cl)C=C1 M10052580P [1,1,0,0,0,0|0,0,2]=4 49 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 M10034129P [1,1,0,0,0,0|0,0,0]=2 50 B12R1.21 O=C(O)CCC1=CC=C(N)C=C1 M10043302P [1,1,0,0,0,0|0,0,0]=2 51 B12R1.21 O=C(O)CCC1=CC=C(N)N=C1 M10880145P [1,1,0,0,0,0|1,0,0]=3 52 B12R1.27 C=CC(NCC1=CC=CC=C1)=O M10122590P [1,1,0,0,0,0|2,0,0]=4 53 B12R1.27 C=CC(OCC1=CC=CC=C1)=O M10044630P [1,1,0,0,0,0|2,0,0]=4 54 B12R1.27 CCC(OCC1=CC=CC=C1)=O M10004505P [1,1,0,0,0,0|2,0,0]=4 55 B12R1.27 O=C(CCC1=CC=CC=C1)CBr M10215691P [1,1,0,0,0,0|1,0,0]=3 56 B12R1.27 O=C(NCC1=CC=CC=C1)CCl M10045433P [1,1,0,0,0,0|2,0,0]=4 57 B12R1.27 O=C(OC)CNC1=CC=CC=C1 M10121939P [1,1,0,0,0,0|1,0,0]=3 58 B12R1.27 O=C(OC)COC1=CC=CC=C1 M10039630P [1,1,0,0,0,0|1,0,0]=3 59 B12R1.107 CC(OC(C1=CC=CC=C1)C)=O M10002262P [1,1,0,0,0,0|2,0,0]=4 60 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10172364P [1,1,0,0,0,0|1,0,0]=3 61 B12R1.107 O=C(O)CN(C)C1=CC=CC=C1 M10243459P [1,1,0,0,0,0|1,0,0]=3 62 B12R1.125 O=C(Cl)OCC1=CC=CC=C1Cl M10239810P [1,1,0,0,0,0|2,0,0]=4 63 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10104081P [1,1,0,0,0,0|0,0,2]=4 64 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br M10107538P [1,1,0,0,0,0|0,0,2]=4 65 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 M10131340P [1,1,0,0,0,0|0,0,2]=4 66 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M10195642P [1,1,0,0,0,0|0,0,2]=4 67 B12R1.20 O=C(O)[C@@H](C1=CC=C(Cl)C=C1)O M10216318P [0,1,0,0,1,0|1,0,0]=3 68 B12R1.20 O=C(O)[C@H](C1=CC=C(Cl)C=C1)O M10464100P [0,1,0,0,1,0|1,0,0]=3 69 B12R1.20 OC(C1=CC=C(Cl)C=C1)C(O)=O M10101253P [0,1,0,0,1,0|1,0,0]=3 70 B12R1.124 O=C(O)C(Br)C1=CC=CC=C1Cl M10205671P [0,1,0,0,1,0|1,0,0]=3 71 B12R1.124 O=C(O)C(N)C1=CC=CC=C1Cl M10547303P [0,1,0,0,1,0|0,0,0]=2 72 B12R1.124 O=C(O)C(N)C1=CC=CC=C1F M10495311P [0,1,0,0,1,0|0,0,0]=2 73 B12R1.124 O=C(O)[C@H](N)C1=CC=CC=C1Cl M10505642P [0,1,0,0,1,0|0,0,0]=2 74 B12R1.225 O=C(O)C(N)C1=CC=CC(Cl)=C1 M10103510P [0,1,0,0,1,0|0,0,0]=2 75 B12R1.253 CC(C1=CC=CC=C1)(N)C(O)=O M10014252P [0,1,0,0,1,0|0,0,0]=2 76 B12R1.478 O=C(Cl)C(C1=CC=CC=C1)CC M10231818P [0,1,0,0,1,0|2,0,0]=4 77 B14R1.425 O=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1 M10308118P [0,1,0,0,0,1|0,0,0]=2 78 B14R1.756 C[C@H](NCC1=CC=CC=C1)C(OC)=O M10161045P [0,1,0,0,0,1|1,0,0]=3 79 B14R1.3 CC(OC1=CC=C(OC)C=C1)C(O)=O M10126516P [0,2,0,0,0,0|2,0,0]=4 80 B14R1.3 O=C(O)[C@@H](N)CC1=CC=C(CC)C=C1 M10191840P [0,2,0,0,0,0|0,0,0]=2 81 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(CC)C=C1 M10944691P [0,2,0,0,0,0|0,0,0]=2 82 B14R1.3 O=C(O)[C@H](N)CC1=CC=C(OC)C=C1 M10240886P [0,2,0,0,0,0|0,0,0]=2 83 B14R1.686 O=C(O)[C@H](N)CC1=CC=C(O)C(O)=C1 M10080506P [0,2,0,0,0,0|0,0,0]=2 84 B14R1.686 O=C(O)[C@H](O)CC1=CC=C(O)C(O)=C1 M10465231P [0,2,0,0,0,0|1,0,0]=3 85 B14R1.686 OC(CC1=CC=C(O)C(O)=C1)C([O-])=O M12028877P [0,2,0,0,0,0|1,0,1]=4 86 B14R1.85 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(OC)=O M10734176P [0,2,0,0,0,0|1,0,0]=3 87 B14R1.153 O=C(O)[C@@H](N)CC1=CC=CC(F)=C1F M10849266P [0,2,0,0,0,0|0,0,0]=2 88 B12R2.18 O=C1C(CC2=C1C=CC=C2)=O M10141381P [1,0,0,1,0,0|1,0,1]=4 89 B12R2.18 OC1C(Br)CC2=C1C=CC=C2 M10072804P [1,0,0,1,0,0|1,0,1]=4 90 B12R2.18 O[C@H]1[C@H](Br)CC2=C1C=CC=C2 M10114550P [1,0,0,1,0,0|1,0,1]=4 91 B12R2.24 NC1CC2=C(C=CC=C2)CC1 M10049516P [1,0,0,1,0,0|1,0,1]=4 92 B12R2.24 NC1CNC2=C(C=CC=C2)C1 M10243335P [1,0,0,1,0,0|1,0,1]=4 93 B12R2.32 O=CC=1NC2=C(C1)C=CC=C2 M10158452P [1,0,0,1,0,0|0,0,2]=4 94 B12R2.3190 O=C(C1C2=CC=CC=C2C1)O M10130765P [1,0,0,1,0,0|0,0,0]=2 95 B14R2.19 S=C1OC[C@@H](CC2=CC=CC=C2)N1 M10821511P [0,0,0,1,0,1|1,1,0]=4 96 B14R2.19 S=C1OC[C@H](CC2=CC=CC=C2)N1 M10768680P [0,0,0,1,0,1|1,1,0]=4 97 B14R2.598 O=C1O[C@H](C2=CC=CC=C2)[C@H](C)N1 M10141652P [0,0,0,1,0,1|1,0,0]=3 98 B14R2.768 O=C(O)CC=1NC2=C(C1)C=CC=C2 M10217671P [0,0,0,1,0,1|0,0,2]=4 99 B14R2.781 O=C(C1=CC2=CC=CC=C2OC1)O M10809857P [0,0,0,1,0,1|1,0,1]=4 100 B14R2.781 O=C(C1CCC2=C(O1)C=CC=C2)O M10262611P [0,0,0,1,0,1|1,0,0]=3 101 B14R2.781 O=C(C1OC2=CC=CC=C2OC1)O M10223704P [0,0,0,1,0,1|1,0,0]=3 102 B14R2.781 O=C([C@H]1OC2=CC=CC=C2OC1)O M10440552P [0,0,0,1,0,1|1,0,0]=3 103 B14R2.4529 O=C(C1=NC2=CC(Br)=CC=C2N1)O M10241982P [0,1,0,1,0,0|1,0,1]=4 104 B14R2.4529 O=C(C=1NC2=C(C1)C=C(C=C2)C)O M10113325P [0,1,0,1,0,0|0,0,2]=4 105 B14R2.4529 O=C(C=1NC2=C(C1)C=CC(=C2)O)O M10241468P [0,1,0,1,0,0|0,0,2]=4 106 B14R2.972 O=C(C1=NC2=CC=CC=C2N1)OC M10080602P [0,1,0,1,0,0|1,0,1]=4 107 B14R2.7969 O=C(C1=NC2=C(C)C=CC=C2N1)O M10937320P [0,1,0,1,0,0|1,0,1]=4 108 B14R2.7969 O=C(C=1NC2=C(C1)C(=CC=C2)F)O M10010100P [0,1,0,1,0,0|0,0,2]=4 109 B14R2.7969 O=C(C=1NC2=C(C1)C=CC=C2F)O M10010099P [0,1,0,1,0,0|0,0,2]=4 110 B14R2.450 O=C(C=1NC2=C(C1Br)C=CC=C2)O M10203373P [0,1,0,1,0,0|0,0,2]=4 111 B14R2.450 O=C(C=1NC2=C(C1Cl)C=CC=C2)O M10203372P [0,1,0,1,0,0|0,0,2]=4 112 B14R2.789 O=C(C1(N)CC2=C(C=CC=C2)C1)O M10198302P [0,1,0,1,0,0|0,0,0]=2 113 B10R1.15 C=CC(Cl)C1=CC=CC=C1 M10295196P [1,0,0,0,1,0|2,0,0]=4 114 B10R1.15 CC(C1=CC=CC=C1)C=O M10002231P [1,0,0,0,1,0|1,0,0]=3 115 B10R1.15 CC(C1=CC=CC=C1)CO M10027348P [1,0,0,0,1,0|1,0,1]=4 116 B10R1.15 NC(CC)C1=CC=CC=C1 M10388570P [1,0,0,0,1,0|1,0,1]=4 117 B10R1.15 N[C@@H](C1=CC=CC=C1)CO M10168325P [1,0,0,0,1,0|0,0,1]=3 118 B10R1.15 O=CC(Br)C1=CC=CC=C1 M10146045P [1,0,0,0,1,0|1,0,0]=3 119 B10R1.66 O=C(O)CCC1=CC=CN1 M10875523P [1,0,0,0,1,0|1,0,0]=3 120 B12R1.252 O=C(O)CCCC1=NC=CC=C1 M10649446P [1,0,0,0,0,1|1,0,0]=3 121 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M10035233P [1,0,0,0,0,1|0,0,1]=3 122 B14R1.6449 N[C@@H](CNCC1=CC=CC=C1)C(O)=O M10709404P [0,0,0,0,0,2|0,0,0]=2