0 B13R2.435 FC(F)C1=CC2=C(N=CC=C2)N1 SPC-p093 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.435 NC(=O)C1=CC2=C(N=CC=C2)N1 SPC-n996 [0,0,0,0,0,0|2,0,0]=2 2 B13R2.435 O=C(O)C1=CC2=C(C=CC=N2)S1 SPC-s635 [0,0,0,0,0,0|2,0,0]=2 3 B13R2.435 O=C(O)C1=CC2=C(N=CC=C2)N1 SPC-g948 [0,0,0,0,0,0|1,0,0]=1 4 B13R2.435 O=C(O)C1=CC2=C(N=CN=C2)N1 SPC-j489 [0,0,0,0,0,0|2,0,0]=2 5 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 SPC-s040 [0,0,0,0,0,0|0,0,2]=2 6 B13R2.435 O=C(O)[C@@H]1CC2=C(N=CC=C2)N1 SPC-u264 [0,0,0,0,0,0|1,0,2]=3 7 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 SPC-k442 [0,0,0,0,0,0|0,0,2]=2 8 B12R2.32 N#CC1=CC2=C(N=CC=C2)N1 SPC-s177 [1,0,0,0,0,0|2,0,1]=4 9 B12R2.32 NCC1=CC2=CC=CN=C2N1 SPC-j249 [1,0,0,0,0,0|2,0,1]=4 10 B12R2.32 O=CC1=CC2=C(N=CC=C2)N1 SPC-m926 [1,0,0,0,0,0|1,0,0]=2 11 B12R2.32 O=CC1=NN2C=CC=CC2=N1 SPC-v040 [1,0,0,0,0,0|2,0,1]=4 12 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 SPC-k614 [1,0,0,0,0,0|0,0,3]=4 13 B14R2.450 CN1C(C(=O)O)=CC2=C1C=CC=C2 SPC-t535 [0,1,0,0,0,0|0,0,0]=1 14 B14R2.450 CN1C(C(=O)O)=CC2=C1N=CC=C2 SPC-p034 [0,1,0,0,0,0|1,0,0]=2 15 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)N1 SPC-q630 [0,1,0,0,0,0|1,0,0]=2 16 B14R2.972 COC(=O)C1=CC2=C(C=CC=N2)S1 SPC-u537 [0,1,0,0,0,0|2,0,0]=3 17 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)N1 SPC-j123 [0,1,0,0,0,0|1,0,0]=2 18 B14R2.4529 CC1=CC2=C(N=C1)NC(C(=O)O)=C2 SPC-n219 [0,1,0,0,0,0|1,0,0]=2 19 B14R2.4529 CC1=NC2=C(C=C1)C=C(C(=O)O)N2 SPC-k513 [0,1,0,0,0,0|1,0,0]=2 20 B14R2.4529 NC1=CC2=C(N=C1)NC(C(=O)O)=C2 SPC-q651 [0,1,0,0,0,0|1,0,0]=2 21 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 SPC-p759 [0,1,0,0,0,0|0,0,0]=1 22 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 SPC-n260 [0,1,0,0,0,0|0,0,0]=1 23 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 SPC-t049 [0,1,0,0,0,0|0,0,0]=1 24 B14R2.4529 O=C(O)C1=CC2=C(N=C(Br)C=C2)N1 SPC-t834 [0,1,0,0,0,0|1,0,0]=2 25 B14R2.4529 O=C(O)C1=CC2=C(N=C(Cl)C=C2)N1 SPC-j288 [0,1,0,0,0,0|1,0,0]=2 26 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 SPC-j287 [0,1,0,0,0,0|1,0,0]=2 27 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2S1 SPC-n207 [0,1,0,0,0,0|2,0,0]=3 28 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 SPC-p700 [0,1,0,0,0,0|1,0,0]=2 29 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 SPC-k960 [0,1,0,0,0,0|1,0,0]=2 30 B14R2.4529 O=C(O)C1=CC2=NC=C(Cl)C=C2N1 SPC-k828 [0,1,0,0,0,0|1,0,0]=2 31 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 SPC-p784 [0,1,0,0,0,0|1,0,1]=3 32 B14R2.4529 O=C(O)C1=CN2C=CC(Br)=CC2=N1 SPC-n280 [0,1,0,0,0,0|1,0,1]=3 33 B14R2.4529 O=C(O)C1=CN2C=CC(F)=CC2=N1 SPC-p857 [0,1,0,0,0,0|1,0,1]=3 34 B14R2.4529 O=C(O)C1=NC2=C(C=CC(Cl)=C2)S1 SPC-u882 [0,1,0,0,0,0|1,0,1]=3 35 B14R2.4529 O=C(O)C1=NN2C=C(Br)C=CC2=C1 SPC-j602 [0,1,0,0,0,0|1,0,1]=3 36 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=CC2=C1 SPC-n255 [0,1,0,0,0,0|1,0,1]=3 37 B14R2.4529 O=C(O)C1=NN2C=C(Cl)C=NC2=C1 SPC-t695 [0,1,0,0,0,0|2,0,1]=4 38 B14R2.4529 O=C(O)C1=NN2C=CC(Br)=CC2=C1 SPC-k857 [0,1,0,0,0,0|1,0,1]=3 39 B14R2.4529 O=C(O)C1=NN2C=CC(Cl)=CC2=N1 SPC-t517 [0,1,0,0,0,0|2,0,1]=4 40 B14R2.4529 O=C([O-])C1=NC2=C(C=C(Br)C=C2)S1 SPC-v450 [0,1,0,0,0,0|1,0,2]=4 41 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CN=C2N1 SPC-h652 [0,1,0,0,0,0|1,0,0]=2 42 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=NC=C2 SPC-j464 [0,1,0,0,0,0|1,0,0]=2 43 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)N1 SPC-j387 [0,1,0,0,0,0|2,0,0]=3 44 B14R2.7969 O=C(O)C1=CC2=C(N=CN=C2Cl)S1 SPC-k731 [0,1,0,0,0,0|3,0,0]=4 45 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 SPC-n282 [0,1,0,0,0,0|1,0,0]=2 46 B14R2.7969 O=C(O)C1=CC2=NC=CC(Cl)=C2S1 SPC-t637 [0,1,0,0,0,0|2,0,0]=3 47 B14R2.7969 O=C(O)C1=CN2C(Br)=CC=CC2=N1 SPC-n203 [0,1,0,0,0,0|1,0,1]=3 48 B14R2.7969 O=C(O)C1=NC2=NC=CC(Cl)=C2N1 SPC-s421 [0,1,0,0,0,0|2,0,0]=3 49 B14R2.7969 O=C(O)C1=NN2C(Br)=CC=CC2=C1 SPC-r155 [0,1,0,0,0,0|1,0,1]=3 50 B14R2.7969 O=C(O)C1=NN2C=CC=C(Br)C2=C1 SPC-n123 [0,1,0,0,0,0|1,0,1]=3 51 B14R2.7969 O=C(O)C1=NN2C=CC=C(Cl)C2=C1 SPC-v199 [0,1,0,0,0,0|1,0,1]=3 52 B12R1.43 O=[N+]([O-])\C(F)=C\C1=CC=CC=C1 SPC-d107 [0,0,1,0,0,0|2,0,1]=4 53 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 SPC-k083 [0,0,0,0,0,1|0,0,1]=2 54 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 SPC-u421 [0,0,0,0,0,1|2,0,0]=3 55 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=N1 SPC-p127 [0,0,0,0,0,1|1,0,1]=3 56 B14R2.781 O=C(O)C1=NC2=CC=CN=C2C=C1 SPC-q938 [0,0,0,0,0,1|1,0,1]=3 57 B11R1.91 O=C(O)\C=C\C1=NC=CC=N1 SPC-u834 [1,0,1,0,0,0|2,0,0]=4 58 B11R2.10 CC1=CC2=C(C=CN=C2)N1 SPC-q573 [2,0,0,0,0,0|1,0,1]=4 59 B11R2.10 CC1=CC2=C(C=NC=C2)N1 SPC-s244 [2,0,0,0,0,0|1,0,1]=4 60 B11R2.10 CC1=CC2=CC=CN=C2N1 SPC-g795 [2,0,0,0,0,0|1,0,1]=4 61 B11R2.10 IC1=CC2=C(N=CC=C2)N1 SPC-m127 [2,0,0,0,0,0|2,0,0]=4 62 B11R2.10 O=C1CC2=C(C=CN=C2)N1 SPC-j040 [2,0,0,0,0,0|1,0,1]=4 63 B11R2.10 O=C1CC2=C(C=NC=C2)N1 SPC-j324 [2,0,0,0,0,0|1,0,1]=4 64 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-g779 [2,0,0,0,0,0|1,0,1]=4 65 B11R2.10 O=C1CC2=C(N=CC=C2)N1 SPC-j021 [2,0,0,0,0,0|1,0,1]=4 66 B13R1.133 O=C(O)C(=O)NC1=NC=C(Cl)C=C1 SPC-g335 [0,1,1,0,0,0|2,0,0]=4 67 B13R2.43 OCC1=CC2=C(C=CC(Cl)=C2)N1 SPC-q920 [1,1,0,0,0,0|0,0,1]=3 68 B13R2.45 CN1C(C=O)=CC2=C1N=CC=C2 SPC-u008 [1,1,0,0,0,0|1,0,0]=3 69 B13R2.54 O=CC1=CC2=C(Br)C=CN=C2N1 SPC-q642 [1,1,0,0,0,0|1,0,0]=3 70 B13R2.54 O=CC1=CN2C(Br)=CC=CC2=N1 SPC-j261 [1,1,0,0,0,0|1,0,1]=4 71 B13R2.54 O=CC1=CN2C=CC=C(Br)C2=N1 SPC-v110 [1,1,0,0,0,0|1,0,1]=4 72 B15R2.7174 O=C(O)[C@@H]1CC2=C(C=CC(O)=C2)CN1 SPC-s401 [0,1,0,0,0,1|0,0,2]=4 73 B15R2.7180 O=C(O)C1=CN=C2C=C(Cl)C=CC2=N1 SPC-u183 [0,1,0,0,0,1|0,0,1]=3 74 B15R2.7180 O=C(O)C1=NC2=CC=C(O)C=C2C=C1 SPC-m617 [0,1,0,0,0,1|0,0,1]=3 75 B15R2.7180 O=C(O)C1=NC=C2C=C(Cl)C=CC2=N1 SPC-u871 [0,1,0,0,0,1|0,0,1]=3 76 B15R2.13598 O=C(O)C1=NC2=CC=CC(O)=C2C=C1 SPC-m620 [0,1,0,0,0,1|0,0,1]=3 77 B15R2.61353 O=C(O)C1=CC=C2C=NC=C(Br)C2=C1 SPC-p519 [0,1,0,0,0,1|2,0,0]=4 78 B15R2.1592 COC(=O)C1=C(N)C2=C(C=CC=N2)S1 SPC-h914 [0,2,0,0,0,0|2,0,0]=4 79 B15R2.7203 CN1C(C(=O)O)=CC2=C1N=C(Cl)N=C2 SPC-p212 [0,2,0,0,0,0|2,0,0]=4 80 B15R2.13463 CN1C(C(=O)O)=CC2=C1N=CN=C2Cl SPC-j490 [0,2,0,0,0,0|2,0,0]=4 81 B15R2.14758 CN1C(C(=O)O)=CC2=C1C=CC(F)=C2 SPC-p701 [0,2,0,0,0,0|0,0,0]=2 82 B15R2.1356 CCOC(=O)C1=CC2=C(C=CC=N2)N1 SPC-h217 [0,2,0,0,0,0|1,0,0]=3 83 B15R2.1356 CCOC(=O)C1=CC2=C(C=NC=C2)N1 SPC-h548 [0,2,0,0,0,0|1,0,0]=3 84 B15R2.1590 COC(=O)C1=CC2=C(C=C(Br)C=C2)N1 SPC-q159 [0,2,0,0,0,0|0,0,0]=2 85 B15R2.1590 COC(=O)C1=CC2=C(C=CC(Cl)=N2)N1 SPC-u198 [0,2,0,0,0,0|1,0,0]=3 86 B15R2.1590 COC(=O)C1=CC2=C(N=C(Cl)C=C2)N1 SPC-j289 [0,2,0,0,0,0|1,0,0]=3 87 B15R2.1590 COC(=O)C1=CC2=C(N=CC(N)=C2)N1 SPC-h327 [0,2,0,0,0,0|1,0,0]=3 88 B15R2.1590 COC(=O)C1=CC2=CC(Br)=CN=C2N1 SPC-h619 [0,2,0,0,0,0|1,0,0]=3 89 B15R2.1590 COC(=O)C1=CC2=CC(F)=CN=C2N1 SPC-i878 [0,2,0,0,0,0|1,0,0]=3 90 B15R2.1590 COC(=O)C1=CC2=CN=C(Cl)C=C2N1 SPC-k839 [0,2,0,0,0,0|1,0,0]=3 91 B15R2.1590 COC(=O)C1=CC2=NC=C(Br)C=C2N1 SPC-q161 [0,2,0,0,0,0|1,0,0]=3 92 B15R2.1590 COC(=O)C1=CC2=NC=C(Cl)C=C2N1 SPC-k827 [0,2,0,0,0,0|1,0,0]=3 93 B15R2.1598 COC(=O)C1=CC2=C(Br)C=CC=C2S1 SPC-q969 [0,2,0,0,0,0|1,0,0]=3 94 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2N1 SPC-q574 [0,2,0,0,0,0|1,0,0]=3 95 B15R2.1598 COC(=O)C1=CC2=C(Br)C=NC=C2S1 SPC-m190 [0,2,0,0,0,0|2,0,0]=4 96 B15R2.1598 COC(=O)C1=CC2=C(N=CN=C2Cl)N1 SPC-j128 [0,2,0,0,0,0|2,0,0]=4 97 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2N1 SPC-n454 [0,2,0,0,0,0|1,0,0]=3 98 B15R2.1598 COC(=O)C1=CC2=NC=CC(Cl)=C2S1 SPC-q972 [0,2,0,0,0,0|2,0,0]=4 99 B15R2.4834 COC1=CC2=C(C=N1)NC(C(=O)O)=C2 SPC-r189 [0,2,0,0,0,0|1,0,0]=3 100 B15R2.4834 COC1=CN2C=C(C(=O)O)N=C2C=C1 SPC-p816 [0,2,0,0,0,0|1,0,1]=4 101 B15R2.4834 N#CC1=CC2=C(C=C1)NC(C(=O)O)=C2 SPC-h699 [0,2,0,0,0,0|0,0,0]=2 102 B15R2.7254 CC1=C(Br)C=CC2=C1C=C(C(=O)O)N2 SPC-p667 [0,2,0,0,0,0|0,0,0]=2 103 B15R2.7254 O=C(O)C1=CC2=C(C=CC(F)=C2F)O1 SPC-s308 [0,2,0,0,0,0|1,0,0]=3 104 B15R2.15633 O=C(O)C1=CC2=C(Cl)N=C(Cl)N=C2N1 SPC-p121 [0,2,0,0,0,0|2,0,0]=4 105 B15R2.15633 O=C(O)C1=CC2=NC(Cl)=NC(Cl)=C2N1 SPC-v574 [0,2,0,0,0,0|2,0,0]=4 106 B15R2.20824 COC1=CC=CN2C=C(C(=O)O)N=C12 SPC-p879 [0,2,0,0,0,0|1,0,1]=4 107 B13R2.72 O=C(O)C1=C2C=CC=CN2C=N1 SPC-k873 [0,0,1,1,0,0|1,0,1]=4 108 B13R2.72 O=C(O)C1=C2C=NC=CC2=NN1 SPC-u026 [0,0,1,1,0,0|2,0,0]=4 109 B13R2.72 O=C(O)C1=CN=C2C=NC=CN12 SPC-q976 [0,0,1,1,0,0|2,0,0]=4 110 B13R2.72 O=C(O)C1=CNC2=C1C=CC=C2 SPC-t671 [0,0,1,1,0,0|2,0,0]=4 111 B13R2.72 O=C(O)C1=NC=C2C=CC=CN21 SPC-v234 [0,0,1,1,0,0|1,0,0]=3 112 B13R2.430 O=C(O)C1=CC2=C(C=CO2)C=C1 SPC-m867 [0,0,1,1,0,0|2,0,0]=4 113 B13R2.430 O=C(O)C1=NC2=C(C=C1)NC=C2 SPC-k799 [0,0,1,1,0,0|1,0,1]=4 114 B13R2.430 O=C(O)C1=NC2=C(C=CN2)C=C1 SPC-j126 [0,0,1,1,0,0|1,0,1]=4 115 B13R2.5569 O=C(O)C1=C2NC=CC2=CC=C1 SPC-t823 [0,0,1,1,0,0|2,0,0]=4 116 B13R2.5569 O=C(O)C1=C2SC=CC2=CC=N1 SPC-q465 [0,0,1,1,0,0|1,0,1]=4 117 B13R2.5569 O=C(O)C1=CC=CC2=CN=CN21 SPC-n406 [0,0,1,1,0,0|1,0,0]=3 118 B13R2.5569 O=C(O)C1=CC=CC2=NC=NN12 SPC-j404 [0,0,1,1,0,0|2,0,0]=4 119 B13R2.5569 O=C(O)C1=CC=CC2=NN=CN12 SPC-j403 [0,0,1,1,0,0|2,0,0]=4 120 B13R2.5569 O=C(O)C1=NC=CC2=C1NC=C2 SPC-s179 [0,0,1,1,0,0|1,0,1]=4 121 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 SPC-t192 [1,0,0,0,0,1|0,0,1]=3