0 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 SPC-j626 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 SPC-g677 [0,0,0,0,0,0|3,0,0]=3 2 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 SPC-m721 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 SPC-g326 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SPC-h297 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.22 COC(=O)C1=CNC(=O)C=C1 SPC-g661 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SPC-g129 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 SPC-k788 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SPC-j807 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SPC-n445 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SPC-g909 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-n443 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-q138 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SPC-h355 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [1,0,0,0,0,0|2,0,0]=3 15 B11R1.22 COC(=O)C1=NC=C(O)C=N1 SPC-v239 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 SPC-j171 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.22 COC(=O)C1=NN=C(N)C=C1 SPC-h264 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.22 COC(=O)C1=NN=C(O)C=C1 SPC-g485 [1,0,0,0,0,0|3,0,0]=4 19 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 SPC-t012 [0,1,0,0,0,0|3,0,0]=4 20 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 SPC-g802 [0,1,0,0,0,0|2,0,0]=3 21 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 SPC-q006 [0,1,0,0,0,0|2,0,0]=3 22 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Cl)N=C1 SPC-g725 [0,1,0,0,0,0|3,0,0]=4 23 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl SPC-h945 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NC=C2 SPC-k917 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 SPC-q948 [0,0,0,1,0,0|3,0,0]=4 26 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 SPC-q951 [0,0,0,1,0,0|2,0,0]=3 27 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 SPC-q547 [0,0,0,1,0,0|3,0,0]=4 28 B13R2.5187 CC1=CN(C)C2=C1C=CC(N)=C2 SPC-s108 [0,0,0,1,0,0|3,0,0]=4 29 B13R2.5187 CC1=NN(C)C2=C1C=CC(N)=C2 SPC-h924 [0,0,0,1,0,0|3,0,0]=4 30 B13R2.5187 CN1N=C(Br)C2=C1C=C(N)C=C2 SPC-j689 [0,0,0,1,0,0|3,0,0]=4 31 B11R1.15 CCOC(=O)C1=CC(=O)NN1 SPC-s502 [0,0,0,0,1,0|3,0,0]=4 32 B11R1.15 CCOC(=O)C1=CC(Cl)=NN1 SPC-k042 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.15 CCOC(=O)C1=CN(C)N=C1 SPC-g811 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 SPC-s493 [0,0,0,0,1,0|3,0,0]=4 35 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 SPC-n382 [0,0,0,0,1,0|3,0,0]=4 36 B11R1.15 CCOC(=O)C1=CN=C(N)S1 SPC-k194 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.15 CCOC(=O)C1=CNC(Br)=N1 SPC-u051 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 SPC-k775 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.15 CCOC(=O)C1=COC(N)=N1 SPC-g512 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 SPC-g387 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 SPC-h522 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.15 CCOC(=O)C1=NNC(Br)=C1 SPC-r142 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.15 CCOC(=O)C1=NNC(F)=C1 SPC-k305 [0,0,0,0,1,0|3,0,0]=4 44 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 SPC-p994 [0,0,0,0,0,1|3,0,0]=4 45 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 SPC-m411 [0,0,0,0,0,1|3,0,0]=4 46 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 SPC-h392 [0,0,0,0,0,1|2,0,0]=3 47 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 SPC-j673 [0,0,0,0,0,1|2,0,0]=3 48 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 SPC-j672 [0,0,0,0,0,1|1,0,0]=2 49 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 SPC-j671 [0,0,0,0,0,1|2,0,0]=3 50 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 SPC-v319 [0,0,0,0,0,1|3,0,0]=4 51 B10R1.1 NCCC1=CC=C(N)C=C1 SPC-r402 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.13 NC1=CN=C(C(=O)O)C=C1 SPC-g569 [2,0,0,0,0,0|1,0,0]=3 57 B10R1.13 NC1=CN=C(C(=O)O)N=C1 SPC-t633 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 NC1=NC=C(C(=O)O)C=C1 SPC-j431 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.13 NC1=NN=C(C(=O)O)C=C1 SPC-h063 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 SPC-g051 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.13 O=C(O)C1=CN=C(F)C=C1 SPC-p809 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 SPC-g079 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 SPC-t053 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.13 O=C(O)C1=NC=C(O)C=C1 SPC-g279 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.13 O=C1C=CC(C(=O)O)=CO1 SPC-k150 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 SPC-j621 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 SPC-t177 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 SPC-q022 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 SPC-g193 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 SPC-u710 [1,1,0,0,0,0|2,0,0]=4 71 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 SPC-k435 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 SPC-r195 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 SPC-t843 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 SPC-j651 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 SPC-k939 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 SPC-j385 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 SPC-r164 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 SPC-j274 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 SPC-t211 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 SPC-h086 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.367 COC(=O)C1=CN=C(I)C(O)=C1 SPC-t430 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.367 COC(=O)C1=CN=C(N)C(Br)=N1 SPC-h592 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.367 COC(=O)C1=CN=C(O)C(O)=C1 SPC-m075 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 SPC-n444 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 SPC-t463 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 SPC-m143 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 SPC-n442 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 SPC-g103 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 SPC-q116 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 SPC-u789 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 SPC-h361 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl SPC-r418 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl SPC-q139 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F SPC-j930 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N SPC-j271 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1O SPC-u257 [1,1,0,0,0,0|2,0,0]=4 97 B12R1.313 CCOC(=O)C1=C(N)NC(C)=C1 SPC-i569 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.314 CCOC(=O)C1=CC(Br)=C(C)N1 SPC-q018 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.683 CC(C)(C)OC(=O)C1=CC=C(N)C=C1 SPC-t556 [0,2,0,0,0,0|0,0,0]=2 100 B14R1.6048 CC(C)OC(=O)C1=NC=C(Br)C=C1N SPC-q240 [0,2,0,0,0,0|2,0,0]=4 101 B14R1.6821 CCOC(=O)C1=CC(F)=C(N)C(F)=C1 SPC-g809 [0,2,0,0,0,0|0,0,0]=2 102 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 SPC-g924 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [1,0,0,1,0,0|1,0,1]=4 104 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [1,0,0,1,0,0|1,0,0]=3 107 B12R2.612 NC1=CC2=C(C=C1)B(O)OC2 SPC-u273 [1,0,0,1,0,0|1,0,1]=4 108 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 SPC-h457 [1,0,0,1,0,0|1,0,0]=3 109 B12R2.612 O=C1COC2=C1C=CC(Br)=C2 SPC-u370 [1,0,0,1,0,0|2,0,0]=4 110 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 SPC-q927 [1,0,0,1,0,0|2,0,0]=4 111 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 SPC-q956 [1,0,0,1,0,0|1,0,0]=3 112 B14R2.7974 NC1=CC2=C(C=C1)NC(=O)CCC2 SPC-u386 [0,0,0,1,0,1|1,0,0]=3 113 B14R2.10606 O=C(C1=CC=C(Br)C=C1)C2CNC2 SPC-s885 [0,1,0,1,0,0|2,0,0]=4 114 B14R2.1095 CCN1CC2=C(C=CC(N)=C2)C1=O SPC-p633 [0,1,0,1,0,0|1,0,0]=3 115 B14R2.938 NC1=CC=C(S(=O)(=O)C2CC2)C=C1 SPC-k433 [0,1,0,1,0,0|2,0,0]=4 116 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Br)C=C2 SPC-q907 [0,1,0,1,0,0|2,0,0]=4 117 B14R2.8732 CC1(C)NC(=O)C2=C1C=C(Cl)C=C2 SPC-p682 [0,1,0,1,0,0|2,0,0]=4 118 B14R2.28472 O=C1CCCC2=CC(Cl)=C(Cl)C=C12 SPC-v371 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.11 CCOC(=O)C1=CC=CN1 SPC-n377 [1,0,0,0,1,0|1,0,0]=3 120 B10R1.11 CCOC(=O)C1=CC=NN1 SPC-g673 [1,0,0,0,1,0|2,0,0]=4 121 B10R1.11 CCOC(=O)C1=CN=CO1 SPC-p990 [1,0,0,0,1,0|2,0,0]=4 122 B10R1.11 CCOC(=O)C1=CNN=C1 SPC-g213 [1,0,0,0,1,0|2,0,0]=4 123 B10R1.11 CCOC(=O)C1=COC=N1 SPC-g401 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.11 CCOC(=O)C1=CON=C1 SPC-i576 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.11 CCOC(=O)C1=NOC=C1 SPC-g943 [1,0,0,0,1,0|2,0,0]=4 126 B10R1.14 COC(=O)C1=CC(Br)=CN1 SPC-g315 [1,0,0,0,1,0|2,0,0]=4 127 B10R1.14 COC(=O)C1=CC(Br)=CS1 SPC-j659 [1,0,0,0,1,0|2,0,0]=4 128 B10R1.14 COC(=O)C1=CC(Cl)=CS1 SPC-k813 [1,0,0,0,1,0|2,0,0]=4 129 B10R1.14 COC(=O)C1=CC(N)=NN1 SPC-k244 [1,0,0,0,1,0|2,0,0]=4 130 B10R1.14 COC(=O)C1=CC=C(Br)S1 SPC-j660 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.14 COC(=O)C1=CC=C(N)O1 SPC-k486 [1,0,0,0,1,0|1,0,0]=3 132 B10R1.14 COC(=O)C1=COC(N)=N1 SPC-q996 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.14 COC(=O)C1=CSC(Cl)=C1 SPC-k869 [1,0,0,0,1,0|2,0,0]=4 134 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SPC-t172 [1,0,0,0,0,1|1,0,0]=3 135 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SPC-k195 [1,0,0,0,0,1|1,0,0]=3 136 B12R1.32 CCOC(=O)CC1=NN=CC=C1 SPC-m727 [1,0,0,0,0,1|2,0,0]=4