0 B9R1.15 C#CC1=CC=CN=C1C AT12964 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 C#CC1=CC=CN=C1Cl AT12435 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.15 C#CC1=CC=CN=C1N 72370 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.15 C#CC1=NC=CC=C1C 79080 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.15 C#CC1=NC=CN=C1Cl N13059 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.15 C=CC1=CC=CN=C1F P13082 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.15 CC1=C(CO)C=NC=N1 F31023 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.15 CC1=C(NN)N=NC=C1 O11008 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.15 CC1=CC=CN=C1CBr D97530 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.15 CC1=CC=NN=C1C#N P12501 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.15 CC1=CN=CN=C1C#N F53173 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.15 CC1=NC=CN=C1CCl P17257 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.15 CC1=NC=CN=C1CN 38702 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.15 CCC1=C(N)N=NC=C1 S11451 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 CCC1=CC=CN=C1C 75814 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.15 CCC1=CN=CN=C1O C15413 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 CNC1=C(F)C=NC=N1 AT18309 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 CNC1=C(I)C=NC=N1 AT18314 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.15 COC1=C(C)C=NC=C1 D74380 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.15 COC1=CN=CN=C1Br O11184 [0,0,0,0,0,0|3,1,0]=4 25 B9R1.15 ClC1=CC=CN=C1CBr 79180 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 ClC1=CC=CN=C1CBr 86640 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 ClCC1=CC=CN=C1Br 55187 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.15 FC1=C(CBr)C=CC=N1 AT20654 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.15 NC1=C(CCl)C=CC=N1 89794 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.15 NCC1=CC=CN=C1Cl 37571 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.15 NCC1=CC=CN=C1N CL0345 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.15 NNC1=C(Br)C=CC=N1 F30216 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.15 NNC1=CC=CN=C1Cl D76828 [0,0,0,0,0,0|4,0,0]=4 35 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|1,0,1]=3 37 B8R1.2 CNC1=CC=CN=N1 79165 [1,0,0,0,0,0|3,0,0]=4 38 B8R1.2 CSC1=NC=CC=N1 O10841 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 SCC1=NC=CN=C1 78318 [1,0,0,0,0,0|2,0,0]=3 40 B8R1.5 CC1=CN=CN=C1Cl 72600 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.5 CC1=NC=CN=C1I P10643 [1,0,0,0,0,0|1,0,0]=2 42 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.5 FC1=CC=CN=C1S AT18759 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.5 FC1=NC=CN=C1I D76573 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.5 IC1=NC=CN=C1I N13386 [1,0,0,0,0,0|2,0,0]=3 46 B10R1.2 CC1=C(Br)C=CN=C1NN AT18414 [0,1,0,0,0,0|3,0,0]=4 47 B10R1.2 CNC1=NC=CC(Cl)=C1N C92709 [0,1,0,0,0,0|3,0,0]=4 48 B10R1.2 COC1=C(Cl)C(O)=CC=N1 FD10667 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.2 COC1=NC=CC(F)=C1N F53634 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.2 COC1=NC=CC(I)=C1F N11837 [0,1,0,0,0,0|2,1,0]=4 51 B10R1.2 COC1=NC=NC(O)=C1C C14793 [0,1,0,0,0,0|2,1,0]=4 52 B10R1.2 CSC1=C(C)C(N)=CC=C1 AT20858 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.2 CSC1=CC=CC(Br)=C1C AC7030 [0,1,0,0,0,0|2,0,0]=3 54 B10R1.4 CC1=CC=CN=C1CC#N C90297 [0,1,0,0,0,0|2,0,1]=4 55 B10R1.4 CC1=NC=CN=C1\C=N/O N10113 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [0,1,0,0,0,0|3,0,0]=4 57 B10R1.4 CCNC1=CC=CN=C1O F30124 [0,1,0,0,0,0|3,0,0]=4 58 B10R1.4 CCNC1=NC=CC=C1N AC7989 [0,1,0,0,0,0|3,0,0]=4 59 B10R1.4 CCNC1=NC=CN=C1Cl AT24639 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.4 CCOC1=C(F)C=CC=N1 F53248 [0,1,0,0,0,0|2,1,0]=4 61 B10R1.4 CCOC1=CC=CN=C1Cl W17868 [0,1,0,0,0,0|2,1,0]=4 62 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.4 CNCC1=C(F)C=CC=N1 P10655 [0,1,0,0,0,0|3,0,0]=4 65 B10R1.4 CNCC1=C(F)C=CC=N1 P20450 [0,1,0,0,0,0|3,0,0]=4 66 B10R1.20 CCC1=CC=CN=C1C#N 50481 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [0,1,0,0,0,0|3,0,0]=4 68 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [0,1,0,0,0,0|1,1,0]=3 69 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [0,1,0,0,0,0|2,0,0]=3 70 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [0,1,0,0,0,0|1,1,0]=3 71 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.20 COC1=CC=CN=C1CCl 27916 [0,1,0,0,0,0|1,1,0]=3 73 B10R1.20 COC1=NC=CC=C1CN 36590 [0,1,0,0,0,0|1,1,0]=3 74 B10R1.20 COC1=NC=CN=C1C=O P10873 [0,1,0,0,0,0|0,1,1]=3 75 B10R1.20 COC1=NC=CN=C1CN C71765 [0,1,0,0,0,0|0,1,0]=2 76 B10R1.20 N#CC1=NC=CC=C1CN 92898 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.20 NNC1=C(CO)C=CC=N1 D77554 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.25 C#CC1=C(C)N=C(F)C=C1 AT20062 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.25 CC1=CC(Cl)=CN=C1C=O 97693 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.25 CC1=CC(F)=CN=C1C#N 55147 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.25 CNC1=NC=C(Cl)C=C1F N10103 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.25 COC1=C(Br)C=C(O)C=N1 C72194 [0,1,0,0,0,0|2,1,0]=4 92 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [0,1,0,0,0,0|1,1,0]=3 93 B10R1.25 COC1=C(F)C=C(O)C=N1 91782 [0,1,0,0,0,0|2,1,0]=4 94 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [0,1,0,0,0,0|1,1,0]=3 95 B10R1.25 COC1=NC=C(C)C=C1N D74381 [0,1,0,0,0,0|2,1,0]=4 96 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [0,1,0,0,0,0|1,1,0]=3 97 B10R1.25 COC1=NC=C(Cl)C=C1F N10102 [0,1,0,0,0,0|2,1,0]=4 98 B10R1.25 CSC1=C(Br)C=C(Br)C=C1 C13885 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.25 CSC1=C(F)C=C(O)C=C1 94985 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [0,1,0,0,0,0|1,0,0]=2 101 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.25 NNC1=C(Cl)N=C(Br)C=N1 E71743 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.25 NNC1=NC=C(Cl)N=C1Br BL010277 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.30 CC1=NC=C(F)C=C1C=O C16838 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.30 COC1=C(C)C=CC(O)=C1 AT19376 [0,1,0,0,0,0|2,1,0]=4 111 B10R1.30 COC1=C(Cl)C=CC(N)=N1 A12809 [0,1,0,0,0,0|2,1,0]=4 112 B10R1.30 COC1=C(I)C=CC(Cl)=N1 AT11606 [0,1,0,0,0,0|2,1,0]=4 113 B10R1.30 COC1=CC(Br)=CN=C1Br N12851 [0,1,0,0,0,0|2,1,0]=4 114 B10R1.30 CSC1=C(Br)C=CC(Br)=C1 C13369 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.30 CSC1=C(N)C=CC(C)=C1 AT20827 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,1,0,0,0,0|2,0,0]=3 118 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.61 CC(C)C1=NC=CN=C1Cl AT24532 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.61 CC(C)C1=NC=CN=C1N 60031 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.61 CC(C)C1=NC=CN=C1N W15952 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.61 CC1=CC=CN=C1B([O-])O AT15845 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.61 C[C@H](N)C1=C(Br)C=CC=N1 70081 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.61 C[C@H](N)C1=C(O)C=CC=N1 N14916 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.61 C[C@H](N)C1=CC=CN=C1N P19332 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.245 COC1=C(C)N=CN=C1Cl AT18342 [0,1,0,0,0,0|2,1,0]=4 129 B10R1.245 COC1=C(Cl)C=CN=C1F 91699 [0,1,0,0,0,0|2,1,0]=4 130 B10R1.245 COC1=C(I)C=CN=C1Cl AT13793 [0,1,0,0,0,0|2,1,0]=4 131 B10R1.245 COC1=C(I)C=CN=C1F AT19119 [0,1,0,0,0,0|2,1,0]=4 132 B10R1.245 COC1=C(O)C=CN=C1F 91686 [0,1,0,0,0,0|2,1,0]=4 133 B10R2.7 C1=CC2=C(C=C1)SCO2 76474 [0,0,0,1,0,0|3,0,0]=4 134 B10R2.7 C1=CC2=C(C=C1)SCS2 D71935 [0,0,0,1,0,0|3,0,0]=4 135 B10R2.7 C1=CN=C2CNCC2=N1 F12463 [0,0,0,1,0,0|2,0,0]=3 136 B10R2.7 C1=CN=C2NCCC2=C1 C13729 [0,0,0,1,0,0|2,0,0]=3 137 B10R2.7 C1=CN=C2NCCC2=N1 P20982 [0,0,0,1,0,0|1,0,0]=2 138 B10R2.7 C1=NC=C2CCNC2=N1 93647 [0,0,0,1,0,0|3,0,0]=4 139 B10R2.7 C1=NC=C2CCNC2=N1 C90715 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.11 C=CN1C=CN=C1C T72225 [0,0,0,0,1,0|2,0,1]=4 141 B8R1.11 CC1=C(C#N)C=CO1 AT17522 [0,0,0,0,1,0|3,0,0]=4 142 B8R1.11 CC1=C(C#N)N=CO1 58494 [0,0,0,0,1,0|3,0,0]=4 143 B8R1.11 CC1=C(C#N)SC=N1 AT15031 [0,0,0,0,1,0|3,0,0]=4 144 B8R1.11 CC1=C(C=O)C=CS1 AT16762 [0,0,0,0,1,0|3,0,0]=4 145 B8R1.11 CC1=C(C=O)N=CO1 AT18594 [0,0,0,0,1,0|3,0,0]=4 146 B8R1.11 CC1=C(CBr)SC=N1 AT24615 [0,0,0,0,1,0|3,0,0]=4 147 B8R1.11 CC1=C(CCl)N=CS1 AT15300 [0,0,0,0,1,0|3,0,0]=4 148 B8R1.11 CC1=C(CCl)OC=N1 C11081 [0,0,0,0,1,0|3,0,0]=4 149 B8R1.11 CC1=C(CCl)SC=N1 74336 [0,0,0,0,1,0|3,0,0]=4 150 B8R1.11 CC1=C(CCl)SC=N1 AT15073 [0,0,0,0,1,0|3,0,0]=4 151 B8R1.11 CC1=C(CN)C=CO1 AT17524 [0,0,0,0,1,0|3,0,0]=4 152 B8R1.11 CC1=C(CN)C=CO1 AT17541 [0,0,0,0,1,0|3,0,0]=4 153 B8R1.11 CC1=C(CN)C=CS1 AT16801 [0,0,0,0,1,0|3,0,0]=4 154 B8R1.11 CC1=C(CN)N=CN1 AT15470 [0,0,0,0,1,0|2,0,1]=4 155 B8R1.11 CC1=C(CN)N=CO1 AT18605 [0,0,0,0,1,0|3,0,0]=4 156 B8R1.11 CC1=C(CN)NC=N1 F19544 [0,0,0,0,1,0|2,0,1]=4 157 B8R1.11 CC1=C(CN)OC=C1 AT17196 [0,0,0,0,1,0|3,0,0]=4 158 B8R1.11 CC1=C(CN)OC=N1 AT18687 [0,0,0,0,1,0|3,0,0]=4 159 B8R1.11 CC1=C(CN)SC=C1 71361 [0,0,0,0,1,0|3,0,0]=4 160 B8R1.11 CC1=C(CO)N=CS1 AT21447 [0,0,0,0,1,0|3,0,0]=4 161 B8R1.11 CC1=C(CO)SC=N1 74180 [0,0,0,0,1,0|3,0,0]=4 162 B8R1.11 CC1=CNN=C1CCl AT15943 [0,0,0,0,1,0|3,0,0]=4 163 B8R1.11 CC1=CON=C1C#N 95086 [0,0,0,0,1,0|3,0,0]=4 164 B8R1.11 CC1=CON=C1CO 95084 [0,0,0,0,1,0|3,0,0]=4 165 B8R1.11 CC1=NOC=C1CCl AT19032 [0,0,0,0,1,0|3,0,0]=4 166 B8R1.11 CC1=NON=C1CBr D74168 [0,0,0,0,1,0|3,0,0]=4 167 B8R1.11 CC1=NON=C1CCl 70874 [0,0,0,0,1,0|3,0,0]=4 168 B8R1.11 CC1=NON=C1CO D74169 [0,0,0,0,1,0|3,0,0]=4 169 B8R1.11 CC1=NSC=C1CO AT21132 [0,0,0,0,1,0|3,0,0]=4 170 B8R1.11 CCC1=C(N)SC=N1 W15853 [0,0,0,0,1,0|3,0,0]=4 171 B8R1.11 CCC1=CNN=C1N 24047 [0,0,0,0,1,0|3,0,0]=4 172 B8R1.11 CCC1=NNC=C1I I11378 [0,0,0,0,1,0|3,0,0]=4 173 B8R1.11 CCC1=NNC=C1N AT14204 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.11 CCN1C=CN=C1C F16031 [0,0,0,0,1,0|2,0,0]=3 175 B8R1.11 CCN1C=CN=C1N AT15605 [0,0,0,0,1,0|3,0,0]=4 176 B8R1.11 CCN1N=CC=C1Br F17300 [0,0,0,0,1,0|3,0,0]=4 177 B8R1.11 CCN1N=CC=C1Cl AT15849 [0,0,0,0,1,0|3,0,0]=4 178 B8R1.11 CCN1N=CC=C1O AT14056 [0,0,0,0,1,0|3,0,0]=4 179 B8R1.11 CCN1N=CN=C1N AT12360 [0,0,0,0,1,0|3,0,0]=4 180 B8R1.11 CCN1N=CN=C1N AT12361 [0,0,0,0,1,0|3,0,0]=4 181 B8R1.11 CN1C=CN=C1CBr AT15680 [0,0,0,0,1,0|3,0,0]=4 182 B8R1.11 CN1C=CN=C1CN AT15625 [0,0,0,0,1,0|3,0,0]=4 183 B8R1.11 CN1N=CC=C1CBr AT15925 [0,0,0,0,1,0|3,0,0]=4 184 B8R1.11 CN1N=CN=C1CO AT21385 [0,0,0,0,1,0|3,0,0]=4 185 B8R1.11 CN1N=CN=C1CO AT21388 [0,0,0,0,1,0|3,0,0]=4 186 B8R1.11 CNC1=CC=NN1C AT14117 [0,0,0,0,1,0|2,0,0]=3 187 B8R1.11 CNC1=CSN=C1C AT21113 [0,0,0,0,1,0|2,0,0]=3 188 B8R1.11 CNC1=NC=CN1C AT15602 [0,0,0,0,1,0|2,0,0]=3 189 B8R1.11 CNC1=NN=CN1C AT21331 [0,0,0,0,1,0|3,0,0]=4 190 B8R1.11 CNC1=NNC=C1C 57305 [0,0,0,0,1,0|2,0,0]=3 191 B8R1.11 COC1=C(Br)C=CS1 AT16340 [0,0,0,0,1,0|2,1,0]=4 192 B8R1.11 COC1=C(Br)SC=N1 AT14705 [0,0,0,0,1,0|2,1,0]=4 193 B8R1.11 COC1=C(C)C=CS1 91670 [0,0,0,0,1,0|1,1,0]=3 194 B7R1.3 SC1=NN=CC=C1 AT13031 [2,0,0,0,0,0|2,0,0]=4 195 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|2,0,0]=4 196 B9R1.1 C#CC1=CN=C(Br)C=N1 AC9603 [1,1,0,0,0,0|1,0,1]=4 197 B9R1.1 CNC1=NC=C(N)C=C1 Y13586 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 COC1=CN=C(I)C=C1 F17075 [1,1,0,0,0,0|1,1,0]=4 199 B9R1.1 COC1=CN=C(I)C=N1 D75305 [1,1,0,0,0,0|0,1,0]=3 200 B9R1.1 CSC1=CN=C(N)N=C1 C16305 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 CSC1=NC=C(C)C=N1 E70474 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.1 CSC1=NC=C(N)C=C1 D73901 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.1 CSC1=NC=C(N)N=C1 92096 [1,1,0,0,0,0|0,0,0]=2 204 B9R1.1 CSC1=NN=C(Br)C=C1 AT17781 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.1 NNC1=CN=C(Br)C=N1 I11308 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.2 CNC1=NC=CC(N)=C1 F12690 [1,1,0,0,0,0|2,0,0]=4 213 B9R1.2 COC1=CN=CC(N)=C1 P11509 [1,1,0,0,0,0|1,1,0]=4 214 B9R1.2 CSC1=CC(Cl)=CN=C1 AT19857 [1,1,0,0,0,0|1,0,0]=3 215 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [1,1,0,0,0,0|0,0,0]=2 216 B9R1.2 CSC1=NC(N)=NC=C1 AT18329 [1,1,0,0,0,0|2,0,0]=4 217 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.6 C[C@H](Br)C1=NC=CN=C1 C77147 [1,1,0,0,0,0|1,0,0]=3 219 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [1,1,0,0,0,0|2,0,0]=4 222 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93141 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.6 C[C@H](N)C1=NC=CN=C1 C93144 [1,1,0,0,0,0|1,0,0]=3 224 B9R1.8 BrCCC1=CN=CC=C1 C77647 [1,1,0,0,0,0|2,0,0]=4 225 B9R1.8 CCCC1=CC=CN=C1 O11051 [1,1,0,0,0,0|2,0,0]=4 226 B9R1.8 CCNC1=NC=CN=C1 C76036 [1,1,0,0,0,0|1,0,0]=3 227 B9R1.8 NCCC1=NC=CN=C1 AT22557 [1,1,0,0,0,0|1,0,0]=3 228 B9R1.8 NNCC1=NC=CN=C1 D78817 [1,1,0,0,0,0|2,0,0]=4 229 B9R1.8 NNCC1=NC=CN=C1 P19174 [1,1,0,0,0,0|2,0,0]=4 230 B9R1.8 SCCC1=NC=CC=C1 F18309 [1,1,0,0,0,0|2,0,0]=4 231 B9R1.3 CC1=CC=CC(S)=C1C F20973 [1,1,0,0,0,0|2,0,0]=4 232 B9R1.3 CC1=CC=NC(C)=C1O F17537 [1,1,0,0,0,0|1,1,0]=4 233 B9R1.3 CC1=NC=CC(Cl)=C1N O11210 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.3 CC1=NC=CC(N)=C1Br D96170 [1,1,0,0,0,0|2,0,0]=4 235 B9R1.3 CC1=NC=C[N+]([O-])=C1Cl F18066 [1,1,0,0,0,0|1,0,1]=4 236 B9R1.69 BrC1=CN=C(Br)C(Br)=N1 I10240 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.69 BrC1=CN=C(I)C(Br)=N1 D80054 [1,1,0,0,0,0|2,0,0]=4 238 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.69 CC1=C(Cl)C=C(Cl)C=N1 61810 [1,1,0,0,0,0|2,0,0]=4 242 B9R1.69 CC1=C(F)N=C(Br)C=C1 AT22416 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.69 CC1=C(S)C=C(Br)C=C1 AT20875 [1,1,0,0,0,0|2,0,0]=4 244 B9R1.69 CC1=C(S)C=C(N)C=C1 AT20843 [1,1,0,0,0,0|2,0,0]=4 245 B9R1.69 CC1=C(S)C=CC(Br)=C1 AT20848 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.69 CC1=C(S)N=C(S)N=C1 W17242 [1,1,0,0,0,0|2,0,0]=4 247 B9R1.69 CC1=CC(Br)=NN=C1C AT17779 [1,1,0,0,0,0|2,0,0]=4 248 B9R1.69 CC1=CC(S)=NN=C1C AT17808 [1,1,0,0,0,0|2,0,0]=4 249 B9R1.69 CC1=CC=C(Cl)N=C1Br O10690 [1,1,0,0,0,0|2,0,0]=4 250 B9R1.69 CC1=NC(Br)=CN=C1Br N13385 [1,1,0,0,0,0|1,0,0]=3 251 B9R1.69 NC1=C(O)N=CC(Cl)=N1 C91505 [1,1,0,0,0,0|1,1,0]=4 252 B9R1.69 NC1=CN=C(Cl)C(N)=N1 93309 [1,1,0,0,0,0|2,0,0]=4 253 B9R1.69 NC1=NC=C(Cl)N=C1I N11852 [1,1,0,0,0,0|2,0,0]=4 254 B9R1.14 CCN1C=CN=C1CBr AT15681 [0,1,0,0,1,0|2,0,0]=4 255 B9R1.14 CCN1C=CN=C1CCl AT15684 [0,1,0,0,1,0|2,0,0]=4 256 B9R1.14 CCN1C=CN=C1CN AT15633 [0,1,0,0,1,0|2,0,0]=4 257 B9R1.14 CCN1C=CN=C1CN D73529 [0,1,0,0,1,0|2,0,0]=4 258 B9R1.14 CCN1C=CN=C1CO W12209 [0,1,0,0,1,0|2,0,0]=4 259 B9R1.14 CCN1N=CC=C1CCl AT15932 [0,1,0,0,1,0|2,0,0]=4 260 B9R1.14 CCN1N=CC=C1CN AT14325 [0,1,0,0,1,0|2,0,0]=4 261 B9R1.14 COC1=NSC=C1CCl AT11782 [0,1,0,0,1,0|1,1,0]=4 262 B9R1.22 CCC1=C(C)N=C(N)S1 O11427 [0,1,0,0,1,0|2,0,0]=4 263 B9R1.22 CCC1=NC(Br)=NN1C AT12554 [0,1,0,0,1,0|2,0,0]=4 264 B9R1.22 CNC1=CC(C)=NN1C 71734 [0,1,0,0,1,0|2,0,0]=4 265 B9R1.22 CNC1=NC(Cl)=NN1C AT12189 [0,1,0,0,1,0|2,0,0]=4 266 B9R1.22 COC1=CC(N)=NN1C AT14065 [0,1,0,0,1,0|1,1,0]=4 267 B9R1.22 COC1=NC(Br)=NN1C AT12188 [0,1,0,0,1,0|1,1,0]=4 268 B9R1.33 CC1=C(CCCl)SC=N1 T71110 [0,1,0,0,1,0|2,0,0]=4 269 B9R1.33 CC1=C(CCN)N=CN1 C15676 [0,1,0,0,1,0|1,0,1]=4 270 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [0,1,0,0,1,0|2,0,0]=4 271 B9R1.33 CC1=C(CCN)SC=N1 D84303 [0,1,0,0,1,0|2,0,0]=4 272 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,0,1,0|1,1,0]=4 273 B9R1.33 CN1C=CN=C1CCN AT24187 [0,1,0,0,1,0|2,0,0]=4 274 B9R1.33 CN1N=CC=C1CCO AT15967 [0,1,0,0,1,0|2,0,0]=4 275 B9R1.33 CN1N=CN=C1CCN AT12257 [0,1,0,0,1,0|2,0,0]=4 276 B9R1.33 CNCC1=NC=CN1C AT15623 [0,1,0,0,1,0|2,0,0]=4 277 B9R1.33 CNCC1=NON=C1C 27032 [0,1,0,0,1,0|2,0,0]=4 278 B9R1.41 CC(C)C1=NC=CN1C 63235 [0,1,0,0,1,0|2,0,0]=4 279 B9R1.41 C[C@H](N)C1=CC=NN1C AT14324 [0,1,0,0,1,0|2,0,0]=4 280 B9R1.41 C[C@H](N)C1=NC=CN1C AT22196 [0,1,0,0,1,0|2,0,0]=4 281 B9R1.41 C[C@H](N)C1=NC=NN1C AT12447 [0,1,0,0,1,0|2,0,0]=4 282 B9R1.41 C[C@H](N)C1=NC=NN1C AT12448 [0,1,0,0,1,0|2,0,0]=4 283 B9R1.41 C[C@H](O)C1=NC=NN1C AT21824 [0,1,0,0,1,0|2,0,0]=4 284 B9R1.132 CCN1N=CC(I)=C1C AT10955 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.278 CSC1=NC=C(I)C(=O)N1C F51220 [0,2,0,0,0,0|2,0,0]=4 286 B11R1.17 CC1=CC=CN=C1CCCN W10139 [0,2,0,0,0,0|2,0,0]=4 287 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,2,0,0,0,0|1,1,0]=4 288 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [0,2,0,0,0,0|1,1,0]=4 289 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,2,0,0,0,0|2,0,0]=4 290 B11R1.86 CC(C)CC1=NC=CN=C1O 43967 [0,2,0,0,0,0|2,0,0]=4 291 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,2,0,0,0,0|1,0,1]=4 292 B11R1.182 CCNC1=C(N)N=CC(Br)=N1 23955 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [0,2,0,0,0,0|2,0,0]=4 294 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [0,2,0,0,0,0|2,0,0]=4 296 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [0,2,0,0,0,0|2,0,0]=4 297 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [0,2,0,0,0,0|2,0,0]=4 298 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [0,2,0,0,0,0|2,0,0]=4 299 B11R1.37 CNC1=C(OC)N=C(Br)C=N1 N11685 [0,2,0,0,0,0|0,1,0]=3 300 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y10459 [0,2,0,0,0,0|1,1,0]=4 301 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [0,2,0,0,0,0|1,1,0]=4 302 B11R1.37 COC1=C(NN)N=C(Br)C=N1 BL010271 [0,2,0,0,0,0|1,1,0]=4 303 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [0,2,0,0,0,0|1,1,0]=4 304 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [0,2,0,0,0,0|1,1,0]=4 305 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [0,2,0,0,0,0|1,1,0]=4 306 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [0,2,0,0,0,0|1,1,0]=4 307 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [0,2,0,0,0,0|1,1,0]=4 308 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [0,2,0,0,0,0|1,1,0]=4 309 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [0,2,0,0,0,0|1,1,0]=4 310 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [0,2,0,0,0,0|2,0,0]=4 311 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [0,2,0,0,0,0|1,1,0]=4 312 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.53 CSC1=NC=CC=C1B(O)O AT14957 [0,2,0,0,0,0|2,0,0]=4 314 B11R1.53 CSC1=NC=CN=C1C(C)C F18029 [0,2,0,0,0,0|0,0,0]=2 315 B11R1.166 CC(=O)C1=NC=C(Cl)N=C1Cl 58574 [0,2,0,0,0,0|2,0,0]=4 316 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14911 [0,2,0,0,0,0|2,0,0]=4 317 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14912 [0,2,0,0,0,0|2,0,0]=4 318 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14913 [0,2,0,0,0,0|2,0,0]=4 319 B11R1.166 CN(C)C1=C(Cl)N=C(I)C=N1 N10096 [0,2,0,0,0,0|2,0,0]=4 320 B11R1.277 COC1=NC(N)=C(Br)N=C1Br W18385 [0,2,0,0,0,0|1,1,0]=4 321 B11R1.279 CCC1=CN=C(CC)C(Cl)=N1 C16219 [0,2,0,0,0,0|2,0,0]=4 322 B11R1.279 COC1=NC=C(C#N)C=C1C 92229 [0,2,0,0,0,0|1,1,0]=4 323 B11R1.279 CSC1=C(C)C=C(CN)C=C1 AT20988 [0,2,0,0,0,0|2,0,0]=4 324 B11R1.87 CC(C)(C)C1=NC=CN=C1Cl AT11134 [0,2,0,0,0,0|2,0,0]=4 325 B9R2.3 C1=NN2CCOC2=C1 AT11029 [0,0,0,1,1,0|1,1,0]=4 326 B11R2.106 BrC1=C2CCCC2=NC=C1 F53407 [0,1,0,1,0,0|2,0,0]=4 327 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,1,0,1,0,0|1,1,0]=4 328 B11R2.106 CC1=NC=CC2=C1N=NC2 F17937 [0,1,0,1,0,0|2,0,0]=4 329 B11R2.106 ClC1=C2CCOC2=NC=C1 97228 [0,1,0,1,0,0|1,1,0]=4 330 B11R2.10 CC1=NC2=CC=CN=C2S1 75584 [0,1,0,1,0,0|2,0,0]=4 331 B11R2.10 CC1=NC2=NC=CN=C2N1 70074 [0,1,0,1,0,0|2,0,0]=4 332 B11R2.10 NC1=NC2=NC=CN=C2S1 O12147 [0,1,0,1,0,0|1,0,1]=4 333 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [0,1,0,1,0,0|2,0,0]=4 334 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [0,1,0,1,0,0|2,0,0]=4 335 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [0,1,0,1,0,0|2,0,0]=4 336 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [0,1,0,1,0,0|2,0,0]=4 337 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [0,1,0,1,0,0|2,0,0]=4 338 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [0,1,0,1,0,0|2,0,0]=4 339 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [0,1,0,1,0,0|2,0,0]=4 340 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [0,1,0,1,0,0|2,0,0]=4 341 B7R1.1 CCC1=CN=CO1 C77473 [1,0,0,0,1,0|2,0,0]=4 342 B7R1.1 CCC1=COC=N1 C77618 [1,0,0,0,1,0|2,0,0]=4 343 B7R1.1 CNC1=CNN=C1 AT23101 [1,0,0,0,1,0|2,0,0]=4 344 B7R1.1 CNC1=NC=CS1 H11141 [1,0,0,0,1,0|2,0,0]=4 345 B7R1.1 COC1=NSC=C1 AT11777 [1,0,0,0,1,0|1,1,0]=4 346 B7R1.4 CC1=C(Br)OC=C1 F53471 [1,0,0,0,1,0|2,0,0]=4 347 B7R1.4 CC1=C(N)N=CN1 C15418 [1,0,0,0,1,0|1,0,1]=4 348 B7R1.4 CC1=C(S)C=CS1 A10974 [1,0,0,0,1,0|1,0,0]=3 349 B7R1.4 CC1=CNN=C1I 72684 [1,0,0,0,1,0|2,0,0]=4 350 B7R1.4 CC1=NN=NN1C F16819 [1,0,0,0,1,0|2,0,0]=4 351 B7R1.4 CC1=NNC=C1Cl AT10929 [1,0,0,0,1,0|2,0,0]=4 352 B7R1.4 CC1=NOC=C1N AT19806 [1,0,0,0,1,0|2,0,0]=4 353 B7R1.4 CN1N=CC=C1Cl AT15843 [1,0,0,0,1,0|2,0,0]=4 354 B7R1.4 CN1N=CN=C1Cl AT12341 [1,0,0,0,1,0|2,0,0]=4