0 B11R1.40 COC(=O)CC1=CN=NC=C1 SPC-j127 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.40 COC(=O)CC1=NC=CC=C1 SPC-j372 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.40 COC(=O)CC1=NC=NC=C1 SPC-v636 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.18 O=C(O)CC1=CN=NC=C1 SPC-j090 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.18 O=C([O-])CC1=NC=CC=N1 SPC-j099 [1,0,0,0,0,0|2,0,1]=4 5 B12R1.32 CCOC(=O)CC1=CN=CC=C1 SPC-t172 [0,1,0,0,0,0|1,0,0]=2 6 B12R1.32 CCOC(=O)CC1=NC=CC=C1 SPC-k195 [0,1,0,0,0,0|1,0,0]=2 7 B12R1.32 CCOC(=O)CC1=NN=CC=C1 SPC-m727 [0,1,0,0,0,0|2,0,0]=3 8 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SPC-g230 [0,1,0,0,0,0|0,0,0]=1 9 B12R1.49 COC(=O)CC1=CN=C(Br)C=C1 SPC-v078 [0,1,0,0,0,0|1,0,0]=2 10 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 SPC-k031 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.49 COC(=O)CC1=NC=C(Br)C=N1 SPC-r251 [0,1,0,0,0,0|2,0,0]=3 12 B12R1.50 C=CC(=O)NC1=CC(N)=CC=C1 SPC-u409 [0,1,0,0,0,0|2,0,1]=4 13 B12R1.50 COC(=O)CC1=CN=CC(C)=C1 SPC-m690 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.371 COC(=O)CC1=C(Br)C=CC=N1 SPC-q093 [0,1,0,0,0,0|1,0,0]=2 15 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 SPC-v372 [0,0,0,1,0,0|2,0,0]=3 16 B12R2.18 CN1C(=O)CC2=C1N=CC=C2 SPC-k509 [0,0,0,1,0,0|2,0,0]=3 17 B12R2.18 C[C@@H]1C(=O)NC2=C1C=CC=N2 SPC-h517 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 SPC-i073 [0,0,0,1,0,0|1,0,0]=2 19 B12R2.24 O=C1C=C2C=CC=CC2=CN1 SPC-m478 [0,0,0,1,0,0|1,0,2]=4 20 B12R2.24 O=C1CCC2=C(C=CN=C2)N1 SPC-n926 [0,0,0,1,0,0|3,0,0]=4 21 B12R2.24 O=C1CCC2=CC=CN=C2N1 SPC-m477 [0,0,0,1,0,0|3,0,0]=4 22 B10R1.15 COC(=O)C1=CN=CN=C1 SPC-j093 [0,0,0,0,1,0|2,0,0]=3 23 B10R1.15 COC(=O)C1=NC=CC=N1 SPC-g360 [0,0,0,0,1,0|2,0,0]=3 24 B10R1.15 COC(=O)C1=NC=NC=C1 SPC-g743 [0,0,0,0,1,0|2,0,0]=3 25 B10R1.15 COC(=O)C1=NN=CC=C1 SPC-g720 [0,0,0,0,1,0|2,0,0]=3 26 B11R1.91 CC(=O)CCC1=CC=CC=C1 SPC-k266 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.20 O=C(O)CC1=NC=C(Br)C=C1 SPC-j674 [1,1,0,0,0,0|1,0,0]=3 28 B11R1.20 O=C(O)CC1=NC=C(Cl)C=N1 SPC-r243 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.20 O=C(O)CC1=NC=C(F)C=C1 SPC-m376 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.86 CC(=O)OC1=CC=CN=C1Br SPC-m968 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.86 O=C(O)CC1=C(Br)C=CC=N1 SPC-k819 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.86 O=C(O)CC1=CC=CN=C1Cl SPC-h555 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.86 O=C(O)CC1=NC=CC=C1O SPC-t979 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.86 O=C(O)CC1=NC=CN=C1Cl SPC-m049 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.157 CC1=CC(CC(=O)O)=CN=C1 SPC-r232 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.157 O=C(O)CC1=CC(F)=CN=C1 SPC-m551 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.157 O=C(O)CC1=CC=CC(F)=N1 SPC-m615 [1,1,0,0,0,0|1,0,0]=3 38 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 SPC-g326 [0,1,0,0,1,0|2,0,0]=4 39 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 SPC-h297 [0,1,0,0,1,0|2,0,0]=4 40 B11R1.22 COC(=O)C1=CNC(=O)C=C1 SPC-g661 [0,1,0,0,1,0|1,0,0]=3 41 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 SPC-g129 [0,1,0,0,1,0|1,0,0]=3 42 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 SPC-k788 [0,1,0,0,1,0|2,0,0]=4 43 B11R1.22 COC(=O)C1=NC=C(C)C=N1 SPC-j807 [0,1,0,0,1,0|2,0,0]=4 44 B11R1.22 COC(=O)C1=NC=C(F)C=C1 SPC-n445 [0,1,0,0,1,0|1,0,0]=3 45 B11R1.22 COC(=O)C1=NC=C(N)C=C1 SPC-g909 [0,1,0,0,1,0|1,0,0]=3 46 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-n443 [0,1,0,0,1,0|2,0,0]=4 47 B11R1.22 COC(=O)C1=NC=C(N)C=N1 SPC-q138 [0,1,0,0,1,0|2,0,0]=4 48 B11R1.22 COC(=O)C1=NC=C(N)N=C1 SPC-h355 [0,1,0,0,1,0|2,0,0]=4 49 B11R1.22 COC(=O)C1=NC=C(O)C=C1 SPC-j676 [0,1,0,0,1,0|1,0,0]=3 50 B11R1.22 COC(=O)C1=NC=C(O)C=N1 SPC-v239 [0,1,0,0,1,0|2,0,0]=4 51 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 SPC-j171 [0,1,0,0,1,0|2,0,0]=4 52 B11R1.22 COC(=O)C1=NN=C(N)C=C1 SPC-h264 [0,1,0,0,1,0|2,0,0]=4 53 B11R1.22 COC(=O)C1=NN=C(O)C=C1 SPC-g485 [0,1,0,0,1,0|2,0,0]=4 54 B11R1.23 COC(=O)C1=CC(=O)NC=C1 SPC-g578 [0,1,0,0,1,0|1,0,0]=3 55 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 SPC-g200 [0,1,0,0,1,0|1,0,0]=3 56 B11R1.23 COC(=O)C1=CC(Cl)=NN=C1 SPC-h440 [0,1,0,0,1,0|2,0,0]=4 57 B11R1.23 COC(=O)C1=CC(F)=CN=C1 SPC-n446 [0,1,0,0,1,0|1,0,0]=3 58 B11R1.23 COC(=O)C1=CC=NC(Cl)=N1 SPC-k177 [0,1,0,0,1,0|2,0,0]=4 59 B11R1.23 COC(=O)C1=CN=CC(Cl)=N1 SPC-m476 [0,1,0,0,1,0|2,0,0]=4 60 B11R1.23 COC(=O)C1=NC(C)=CC=N1 SPC-k581 [0,1,0,0,1,0|2,0,0]=4 61 B11R1.23 COC(=O)C1=NC(N)=CC=C1 SPC-g321 [0,1,0,0,1,0|1,0,0]=3 62 B11R1.23 COC(=O)C1=NC=CC(Br)=C1 SPC-g575 [0,1,0,0,1,0|1,0,0]=3 63 B11R1.23 COC(=O)C1=NC=CC(Cl)=C1 SPC-g180 [0,1,0,0,1,0|1,0,0]=3 64 B11R1.23 COC(=O)C1=NC=CC(F)=C1 SPC-r207 [0,1,0,0,1,0|1,0,0]=3 65 B11R1.23 COC(=O)C1=NC=CC(N)=C1 SPC-j118 [0,1,0,0,1,0|1,0,0]=3 66 B11R1.23 COC(=O)C1=NC=NC(C)=C1 SPC-t667 [0,1,0,0,1,0|2,0,0]=4 67 B11R1.23 COC(=O)C1=NC=NC(N)=C1 SPC-n449 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.23 COC(=O)C1=NN=CC(C)=C1 SPC-q154 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.23 O=C(CBr)C1=CC=CC(Br)=C1 SPC-t754 [0,1,0,0,1,0|2,0,0]=4 70 B11R1.222 COC(=O)C1=C(C)C=NC=C1 SPC-k767 [0,1,0,0,1,0|1,0,0]=3 71 B11R1.222 COC(=O)C1=C(C)C=NN=C1 SPC-m111 [0,1,0,0,1,0|2,0,0]=4 72 B11R1.222 COC(=O)C1=C(C)N=CC=C1 SPC-g251 [0,1,0,0,1,0|1,0,0]=3 73 B11R1.222 COC(=O)C1=C(F)C=NC=C1 SPC-h095 [0,1,0,0,1,0|1,0,0]=3 74 B11R1.222 COC(=O)C1=C(I)C=NC=C1 SPC-h212 [0,1,0,0,1,0|1,0,0]=3 75 B11R1.222 COC(=O)C1=C(N)C=CN=C1 SPC-q126 [0,1,0,0,1,0|1,0,0]=3 76 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SPC-g458 [0,1,0,0,1,0|1,0,0]=3 77 B11R1.222 COC(=O)C1=C(N)N=CC=C1 SPC-t201 [0,1,0,0,1,0|1,0,0]=3 78 B11R1.222 COC(=O)C1=CC=CN=C1Br SPC-g889 [0,1,0,0,1,0|1,0,0]=3 79 B11R1.222 COC(=O)C1=NC=CN=C1Br SPC-t213 [0,1,0,0,1,0|2,0,0]=4 80 B11R1.222 COC(=O)C1=NC=CN=C1Cl SPC-m475 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.222 COC(=O)C1=NC=CN=C1F SPC-n435 [0,1,0,0,1,0|2,0,0]=4 82 B11R1.222 COC(=O)C1=NC=CN=C1N SPC-k261 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.39 COC(=O)CC1=CN(C)N=C1 SPC-q091 [0,1,0,0,1,0|2,0,0]=4 84 B11R1.39 COC(=O)CC1=CN=C(N)S1 SPC-h466 [0,1,0,0,1,0|2,0,0]=4 85 B11R1.39 COC(=O)CC1=CN=C(N)S1 SPC-r364 [0,1,0,0,1,0|2,0,0]=4 86 B11R1.39 COC(=O)CC1=NNC(C)=C1 SPC-t419 [0,1,0,0,1,0|2,0,0]=4 87 B13R1.19 CCOC(=O)CC1=CN=C(Br)N=C1 SPC-p994 [0,2,0,0,0,0|2,0,0]=4 88 B13R1.19 CCOC(=O)CC1=CN=C(Cl)N=C1 SPC-m411 [0,2,0,0,0,0|2,0,0]=4 89 B13R1.19 CCOC(=O)CC1=NC=C(Br)C=C1 SPC-h392 [0,2,0,0,0,0|1,0,0]=3 90 B13R1.19 CCOC(=O)CC1=NC=C(I)C=C1 SPC-j673 [0,2,0,0,0,0|1,0,0]=3 91 B13R1.19 CCOC(=O)CC1=NC=C(N)C=C1 SPC-j672 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.19 CCOC(=O)CC1=NC=C(O)C=C1 SPC-j671 [0,2,0,0,0,0|1,0,0]=3 93 B13R1.19 CCOC(=O)CC1=NN=C(Cl)C=C1 SPC-v319 [0,2,0,0,0,0|2,0,0]=4 94 B13R1.20 CCOC(=O)CC1=CC(F)=CN=C1 SPC-m552 [0,2,0,0,0,0|1,0,0]=3 95 B13R1.47 CCOC(=O)C(=O)C1=NC=CC=C1 SPC-m233 [0,2,0,0,0,0|1,0,1]=4 96 B13R1.470 CCOC(=O)CC1=CC=CN=C1Cl SPC-h279 [0,2,0,0,0,0|1,0,0]=3 97 B13R1.91 COC(=O)CC1=C(C#N)C=CC=C1 SPC-t855 [0,2,0,0,0,0|0,0,0]=2 98 B13R1.4928 COC(=O)CC1=C(Cl)N=CN=C1Cl SPC-k659 [0,2,0,0,0,0|2,0,0]=4 99 B11R2.1 CC1=CNC2=C1C=CC=C2 SPC-g422 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.20 C1=CC2=C(C=C1)CNCC2 SPC-t693 [1,0,0,1,0,0|1,0,1]=4 101 B11R2.239 C1=CC=C(C2COC2)C=C1 SPC-a273 [1,0,0,1,0,0|0,0,1]=3 102 B11R2.10 C[C@@H]1CC2=C(C=CC=C2)N1 SPC-q921 [1,0,0,1,0,0|1,0,1]=4 103 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 SPC-s041 [1,0,0,1,0,0|1,0,1]=4 104 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [1,0,0,1,0,0|2,0,0]=4 105 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [1,0,0,1,0,0|2,0,0]=4 106 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [1,0,0,1,0,0|2,0,0]=4 107 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [1,0,0,1,0,0|2,0,0]=4 108 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 SPC-t954 [0,0,0,1,0,1|1,0,0]=3 109 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 SPC-p599 [0,0,0,1,0,1|0,1,0]=3 110 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 SPC-k343 [0,0,0,1,0,1|0,2,0]=4 111 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-i766 [0,1,0,1,0,0|1,0,1]=4 112 B13R2.221 NC1(CC2=CC=CC=C2)COC1 SPC-n042 [0,1,0,1,0,0|1,0,1]=4 113 B13R2.369 C[C@@H]1NC2=C(C=CC=C2)NC1=O SPC-k116 [0,1,0,1,0,0|2,0,0]=4 114 B13R2.3028 CN1C(=O)CC2=C1C=C(N)C=C2 SPC-j070 [0,1,0,1,0,0|1,0,0]=3 115 B13R2.3683 O=C1NC2=C(C=C(Br)C=C2)CO1 SPC-j975 [0,1,0,1,0,0|1,0,0]=3 116 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 SPC-u462 [0,1,0,1,0,0|1,0,0]=3 117 B13R2.4825 C[C@@H]1C(=O)NC2=C(F)C=CC=C21 SPC-q924 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.6 CC(=O)C1=CN=CN=C1 SPC-j094 [1,0,0,0,1,0|2,0,0]=4 119 B9R1.6 CC(=O)C1=CN=NC=C1 SPC-r163 [1,0,0,0,1,0|2,0,0]=4 120 B9R1.6 CC(=O)C1=NC=CC=N1 SPC-k981 [1,0,0,0,1,0|2,0,0]=4 121 B9R1.6 CC(=O)C1=NN=CC=C1 SPC-j101 [1,0,0,0,1,0|2,0,0]=4 122 B9R1.6 C[C@H](O)C1=CC=CC=C1 SPC-s644 [1,0,0,0,1,0|0,0,2]=4 123 B9R1.6 O=C(O)C1=CN=CN=C1 SPC-g357 [1,0,0,0,1,0|2,0,0]=4 124 B9R1.6 O=C(O)C1=CN=NC=C1 SPC-n492 [1,0,0,0,1,0|2,0,0]=4 125 B9R1.6 O=C(O)C1=NC=CC=N1 SPC-g298 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.6 O=C(O)C1=NC=CN=C1 SPC-g023 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.6 O=C(O)C1=NC=NC=C1 SPC-g351 [1,0,0,0,1,0|2,0,0]=4 128 B9R1.6 O=C(O)C1=NN=CC=C1 SPC-g662 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.13 O=C(O)CC1=CC=NN1 SPC-v144 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.11 COC(=O)C1=CC=CN1 SPC-g232 [0,0,0,0,2,0|1,0,0]=3 131 B9R1.11 COC(=O)C1=CNC=N1 SPC-k809 [0,0,0,0,2,0|2,0,0]=4 132 B9R1.11 COC(=O)C1=CNN=C1 SPC-g646 [0,0,0,0,2,0|2,0,0]=4 133 B9R1.11 COC(=O)C1=NC=CN1 SPC-n423 [0,0,0,0,2,0|2,0,0]=4