0 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 SPC-m630 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [1,0,0,0,0,0|2,0,0]=3 2 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SPC-t740 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 O=C(CBr)C1=NC=CC=N1 SPC-r240 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 SPC-j626 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 SPC-g677 [0,1,0,0,0,0|2,0,0]=3 9 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=N1 SPC-m721 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=N1 SPC-j621 [0,1,0,0,0,0|2,0,0]=3 11 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 SPC-t177 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 SPC-q022 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 SPC-g193 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 SPC-u710 [0,1,0,0,0,0|2,0,0]=3 15 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SPC-t392 [0,0,0,1,0,0|2,0,1]=4 16 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 SPC-k321 [0,0,0,1,0,0|1,0,1]=3 17 B12R2.1081 O=C1CCCC2=C1C=CC=N2 SPC-h229 [0,0,0,1,0,0|2,0,0]=3 18 B12R2.1081 O=C1COCC2=C1C=CC=C2 SPC-j356 [0,0,0,1,0,0|2,0,0]=3 19 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SPC-s102 [0,0,0,1,0,0|1,0,0]=2 20 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SPC-n062 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.11 CCOC(=O)C1=CC=CN1 SPC-n377 [0,0,0,0,1,0|1,0,0]=2 22 B10R1.11 CCOC(=O)C1=CC=NN1 SPC-g673 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.11 CCOC(=O)C1=CN=CO1 SPC-p990 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.11 CCOC(=O)C1=CNN=C1 SPC-g213 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.11 CCOC(=O)C1=COC=N1 SPC-g401 [0,0,0,0,1,0|2,0,0]=3 26 B10R1.11 CCOC(=O)C1=CON=C1 SPC-i576 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.11 CCOC(=O)C1=NOC=C1 SPC-g943 [0,0,0,0,1,0|2,0,0]=3 28 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SPC-t172 [0,0,0,0,0,1|1,0,0]=2 29 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SPC-k195 [0,0,0,0,0,1|1,0,0]=2 30 B12R1.32 CCOC(=O)CC1=NN=CC=C1 SPC-m727 [0,0,0,0,0,1|2,0,0]=3 31 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [2,0,0,0,0,0|2,0,0]=4 32 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [2,0,0,0,0,0|0,0,2]=4 36 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 SPC-g326 [1,1,0,0,0,0|2,0,0]=4 43 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SPC-h297 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.22 COC(=O)C1=CNC(=O)C=C1 SPC-g661 [1,1,0,0,0,0|1,0,0]=3 45 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SPC-g129 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 SPC-k788 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SPC-j807 [1,1,0,0,0,0|2,0,0]=4 48 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SPC-n445 [1,1,0,0,0,0|1,0,0]=3 49 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SPC-g909 [1,1,0,0,0,0|1,0,0]=3 50 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-n443 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-q138 [1,1,0,0,0,0|2,0,0]=4 52 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SPC-h355 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.22 COC(=O)C1=NC=C(O)C=N1 SPC-v239 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 SPC-j171 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.22 COC(=O)C1=NN=C(N)C=C1 SPC-h264 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.22 COC(=O)C1=NN=C(O)C=C1 SPC-g485 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.23 COC(=O)C1=CC(=O)NC=C1 SPC-g578 [1,1,0,0,0,0|1,0,0]=3 59 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 SPC-g200 [1,1,0,0,0,0|1,0,0]=3 60 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 SPC-h440 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.23 COC(=O)C1=CC(F)=CN=C1 SPC-n446 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.23 COC(=O)C1=CC=NC(Cl)=N1 SPC-k177 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 SPC-m476 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.23 COC(=O)C1=NC(C)=CC=N1 SPC-k581 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.23 COC(=O)C1=NC(N)=CC=C1 SPC-g321 [1,1,0,0,0,0|1,0,0]=3 66 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 SPC-g575 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 SPC-g180 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.23 COC(=O)C1=NC=CC(F)=C1 SPC-r207 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.23 COC(=O)C1=NC=CC(N)=C1 SPC-j118 [1,1,0,0,0,0|1,0,0]=3 70 B11R1.23 COC(=O)C1=NC=NC(C)=C1 SPC-t667 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.23 COC(=O)C1=NC=NC(N)=C1 SPC-n449 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.23 COC(=O)C1=NN=CC(C)=C1 SPC-q154 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.222 COC(=O)C1=C(C)C=NC=C1 SPC-k767 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.222 COC(=O)C1=C(C)C=NN=C1 SPC-m111 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.222 COC(=O)C1=C(F)C=NC=C1 SPC-h095 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.222 COC(=O)C1=C(I)C=NC=C1 SPC-h212 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=C(N)C=CN=C1 SPC-q126 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SPC-g458 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.222 COC(=O)C1=NC=CN=C1Br SPC-t213 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.222 COC(=O)C1=NC=CN=C1Cl SPC-m475 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.222 COC(=O)C1=NC=CN=C1F SPC-n435 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.222 COC(=O)C1=NC=CN=C1N SPC-k261 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.15 CCOC(=O)C1=CC(=O)NN1 SPC-s502 [0,1,0,0,1,0|2,0,0]=4 88 B11R1.15 CCOC(=O)C1=CC(Cl)=NN1 SPC-k042 [0,1,0,0,1,0|2,0,0]=4 89 B11R1.15 CCOC(=O)C1=CN(C)N=C1 SPC-g811 [0,1,0,0,1,0|2,0,0]=4 90 B11R1.15 CCOC(=O)C1=CN=C(Br)S1 SPC-s493 [0,1,0,0,1,0|2,0,0]=4 91 B11R1.15 CCOC(=O)C1=CN=C(Cl)O1 SPC-n382 [0,1,0,0,1,0|2,0,0]=4 92 B11R1.15 CCOC(=O)C1=CN=C(N)S1 SPC-k194 [0,1,0,0,1,0|2,0,0]=4 93 B11R1.15 CCOC(=O)C1=CNC(Br)=N1 SPC-u051 [0,1,0,0,1,0|2,0,0]=4 94 B11R1.15 CCOC(=O)C1=COC(Cl)=N1 SPC-k775 [0,1,0,0,1,0|2,0,0]=4 95 B11R1.15 CCOC(=O)C1=COC(N)=N1 SPC-g512 [0,1,0,0,1,0|2,0,0]=4 96 B11R1.15 CCOC(=O)C1=CSC(Br)=N1 SPC-g387 [0,1,0,0,1,0|2,0,0]=4 97 B11R1.15 CCOC(=O)C1=NC(Br)=CS1 SPC-h522 [0,1,0,0,1,0|2,0,0]=4 98 B11R1.15 CCOC(=O)C1=NNC(Br)=C1 SPC-r142 [0,1,0,0,1,0|2,0,0]=4 99 B11R1.15 CCOC(=O)C1=NNC(F)=C1 SPC-k305 [0,1,0,0,1,0|2,0,0]=4 100 B11R1.199 CCOC(=O)C1=C(Br)C=NN1 SPC-g887 [0,1,0,0,1,0|2,0,0]=4 101 B11R1.199 CCOC(=O)C1=C(C)C=CN1 SPC-h813 [0,1,0,0,1,0|1,0,0]=3 102 B11R1.199 CCOC(=O)C1=C(F)C=CN1 SPC-m033 [0,1,0,0,1,0|1,0,0]=3 103 B11R1.199 CCOC(=O)C1=C(I)C=NN1 SPC-g893 [0,1,0,0,1,0|2,0,0]=4 104 B11R1.199 CCOC(=O)C1=C(N)C=CN1 SPC-g738 [0,1,0,0,1,0|1,0,0]=3 105 B11R1.199 CCOC(=O)C1=C(N)NC=C1 SPC-k238 [0,1,0,0,1,0|1,0,0]=3 106 B11R1.199 CCOC(=O)C1=C(N)NN=C1 SPC-q009 [0,1,0,0,1,0|2,0,0]=4 107 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 SPC-p994 [0,1,0,0,0,1|2,0,0]=4 108 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 SPC-m411 [0,1,0,0,0,1|2,0,0]=4 109 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 SPC-h392 [0,1,0,0,0,1|1,0,0]=3 110 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 SPC-j673 [0,1,0,0,0,1|1,0,0]=3 111 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 SPC-j672 [0,1,0,0,0,1|1,0,0]=3 112 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 SPC-j671 [0,1,0,0,0,1|1,0,0]=3 113 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 SPC-v319 [0,1,0,0,0,1|2,0,0]=4 114 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 SPC-m552 [0,1,0,0,0,1|1,0,0]=3 115 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 SPC-m233 [0,1,0,0,0,1|1,0,0]=3 116 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl SPC-h279 [0,1,0,0,0,1|1,0,0]=3 117 B13R1.21 CON(C)C(=O)C1=CC=C(F)C=C1 SPC-t012 [0,2,0,0,0,0|2,0,0]=4 118 B13R1.466 CCOC(=O)C1=CN=C(C)C(N)=C1 SPC-g802 [0,2,0,0,0,0|1,0,0]=3 119 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 SPC-q006 [0,2,0,0,0,0|1,0,0]=3 120 B13R1.1511 CCOC(=O)C1=C(Cl)N=C(Cl)N=C1 SPC-g725 [0,2,0,0,0,0|2,0,0]=4 121 B13R1.1511 CCOC(=O)C1=CN=C(C)N=C1Cl SPC-h945 [0,2,0,0,0,0|2,0,0]=4 122 B13R1.22 CON(C)C(=O)C1=CC=CC(F)=C1 SPC-t574 [0,2,0,0,0,0|2,0,0]=4 123 B13R1.446 CCOC(=O)C1=CC(Br)=CN=C1C SPC-t476 [0,2,0,0,0,0|1,0,0]=3 124 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl SPC-k102 [0,2,0,0,0,0|1,0,0]=3 125 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N SPC-u600 [0,2,0,0,0,0|1,0,0]=3 126 B13R1.460 CCOC(=O)C1=CC(C=O)=NC=C1 SPC-t176 [0,2,0,0,0,0|1,0,0]=3 127 B13R1.460 CCOC(=O)C1=CC(CO)=NC=C1 SPC-p998 [0,2,0,0,0,0|1,0,0]=3 128 B11R2.1 O=C1CCC2=C1C=CC=N2 SPC-n233 [1,0,0,1,0,0|1,0,0]=3 129 B11R2.1 O=C1CCC2=C1C=CN=C2 SPC-q607 [1,0,0,1,0,0|1,0,0]=3 130 B11R2.1 O=C1NCC2=C1C=CC=C2 SPC-m482 [1,0,0,1,0,0|1,0,0]=3 131 B11R2.1 O=C1NCC2=C1C=NC=C2 SPC-h610 [1,0,0,1,0,0|2,0,0]=4 132 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|1,0,1]=4 133 B11R2.106 O=C1CCCC2=C1C=CN2 SPC-s307 [0,0,0,1,1,0|2,0,0]=4 134 B11R2.106 O=C1NCCC2=C1C=CN2 SPC-s173 [0,0,0,1,1,0|2,0,0]=4 135 B11R2.106 O=C1NCCC2=C1C=CO2 SPC-s343 [0,0,0,1,1,0|2,0,0]=4 136 B11R2.106 O=C1NCCC2=C1SC=C2 SPC-s344 [0,0,0,1,1,0|2,0,0]=4 137 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 SPC-f083 [0,1,0,1,0,0|1,0,1]=4 138 B13R2.2931 CN1N=C(C=O)C2=C1C=CC=C2 SPC-h888 [0,1,0,1,0,0|2,0,0]=4 139 B13R2.5179 O=C1CCOC2=C1C=CC(Br)=C2 SPC-q948 [0,1,0,1,0,0|2,0,0]=4 140 B13R2.5179 O=C1NCCC2=C1C=CC(Br)=C2 SPC-q951 [0,1,0,1,0,0|1,0,0]=3 141 B13R2.5179 O=C1NCCC2=C1C=CC(Cl)=N2 SPC-q547 [0,1,0,1,0,0|2,0,0]=4 142 B13R2.4857 O=C1OC(=O)C2=C(O)C=CC=C12 SPC-k313 [0,1,0,1,0,0|1,0,1]=4 143 B13R2.12159 CC1(C)NC(=O)C2=C1C=CC=C2 SPC-j751 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [1,0,0,0,1,0|1,0,0]=3 145 B9R1.11 COC(=O)C1=CNC=N1 SPC-k809 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.11 COC(=O)C1=CNN=C1 SPC-g646 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.11 COC(=O)C1=NC=CN1 SPC-n423 [1,0,0,0,1,0|2,0,0]=4