0 B11R1.37 CNC1=C(OC)N=C(Br)C=N1 N11685 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y10459 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.37 COC1=C(NN)N=C(Br)C=N1 BL010271 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [0,0,0,0,0,0|3,0,0]=3 9 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.37 COC1=NC=C(C)C=C1C#N D74382 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.37 ClCC1=C(CCl)N=C(Cl)C=C1 N13342 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.37 ClCC1=CC(Br)=CN=C1CCl F19760 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.20 CCC1=CC=CN=C1C#N 50481 [1,0,0,0,0,0|2,0,1]=4 15 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.20 COC1=CC=CN=C1CCl 27916 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 COC1=NC=CC=C1CN 36590 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 COC1=NC=CN=C1C=O P10873 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.20 COC1=NC=CN=C1CN C71765 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.25 CC1=C(CCl)C=CC(F)=N1 77960 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.25 CC1=C(CO)C=CC(Br)=N1 AT12929 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 CC1=C(CO)C=CC(Cl)=N1 F16741 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.25 CC1=CN=C(CBr)C(C)=C1 O10504 [1,0,0,0,0,0|2,0,0]=3 26 B10R1.25 CC1=CN=C(CN)C(C)=C1 D73748 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.25 CC1=NC(C)=C(C=O)C=C1 F12423 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.25 CC1=NC(C)=C(CN)C=N1 F53535 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.25 CCC1=C(Br)C=C(Br)C=N1 F14393 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.25 CNC1=C(Cl)N=C(I)C=N1 N10094 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.25 CNC1=NC=C(C)C=C1N D75084 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.25 COC1=C(C)N=C(N)C=C1 F53499 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.25 COC1=NC=C(Br)N=C1Br 86827 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.25 COC1=NC=C(C)C=C1N D74381 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.25 COC1=NC=C(C)N=C1Br 93937 [1,0,0,0,0,0|2,0,0]=3 36 B10R1.25 CSC1=NC=C(Br)C=C1C AT14138 [1,0,0,0,0,0|3,0,0]=4 37 B10R1.25 NCC1=NC=C(Cl)N=C1Cl W17941 [1,0,0,0,0,0|3,0,0]=4 38 B10R1.30 CC1=C(CO)N=C(Br)C=C1 AT18411 [1,0,0,0,0,0|3,0,0]=4 39 B10R1.30 CC1=CC=C(C)C(C#N)=N1 Y10193 [1,0,0,0,0,0|2,0,1]=4 40 B10R1.30 CC1=CN=C(Cl)C(CO)=C1 D85930 [1,0,0,0,0,0|3,0,0]=4 41 B10R1.30 CC1=NC(CO)=C(F)C=C1 C91534 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.30 CC1=NC=C(Br)C=C1CCl AC3206 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.30 CCC1=C(C)C=CC(C)=C1 T71937 [1,0,0,0,0,0|2,0,0]=3 44 B10R1.30 CNC1=NC(C)=CC=C1N S10557 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.30 OCC1=NC(Br)=CN=C1Br 53048 [1,0,0,0,0,0|3,0,0]=4 46 B12R1.46 COC1=C([C@H](C)N)C=C(C)C=C1 N12589 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.46 COC1=NC=C(F)C=C1[C@H](C)N Y13430 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.78 COC1=CC=C(CN)N=C1OC F31028 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.78 COC1=CC=C(CO)N=C1OC D75064 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.78 COC1=CN=C(C=O)C(OC)=N1 F11715 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.448 COC1=NC(C)=C(F)C=C1CO 92222 [0,1,0,0,0,0|3,0,0]=4 52 B12R2.24 BrC1=NC2=C(C=C1)CNCC2 C13599 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.24 BrC1=NC2=C(CCCC2)N=C1 94412 [0,0,0,1,0,0|1,0,0]=2 54 B12R2.24 CC1=CC2=C(C=C1)CNCC2 C15799 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 Y10725 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.24 ClC1=CN=C2CCNCC2=C1 D87527 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.24 ClC1=NC2=C(C=N1)CCCC2 70942 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.24 NC1=NC2=C(CNCC2)N=N1 F13770 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10962 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N W12236 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10840 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.32 COC1=NN(C)C=C1CN AT14020 [0,0,0,0,1,0|3,0,0]=4 63 B10R1.257 COC1=NOC(C)=C1CO AT19592 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 CC1=CC=CN=C1CBr D97530 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CC1=NC=CN=C1CCl P17257 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.15 CC1=NC=CN=C1CN 38702 [2,0,0,0,0,0|1,0,0]=3 70 B9R1.15 CCC1=CC=CN=C1C 75814 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.1 CC1=NC=C(CBr)C=C1 F52459 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.1 CC1=NC=C(CCl)C=C1 D87733 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.1 COC1=CN=C(I)C=N1 D75305 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.1 CSC1=NC=C(N)N=C1 92096 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.1 ClC1=CN=C(CBr)C=N1 95144 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.1 NCC1=CN=C(Br)C=N1 F30506 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.69 CC1=C(C)N=C(Br)C=C1 F16237 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.69 CC1=C(C)N=C(O)C=C1 F51184 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.69 CC1=NC(Br)=CN=C1Br N13385 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.2 CC1=CC(CBr)=CN=C1 43925 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.2 CC1=CN=CC(CCl)=N1 O10514 [2,0,0,0,0,0|1,0,0]=3 82 B9R1.2 CC1=CN=CC(CCl)=N1 Y10493 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.2 CC1=CN=CC(CO)=N1 O10143 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.2 CSC1=CN=CC(Cl)=N1 AT24641 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.2 CSC1=NN=CC(C)=N1 AT21837 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.53 CSC1=NC=CN=C1C(C)C F18029 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.81 CC1=NC(C)=C(CC#N)C=C1 93161 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.81 CCOC1=C(Br)C=C(C)C=N1 93939 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.81 CCOC1=NC=C(C)N=C1Br 93936 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14911 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14912 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.166 CC1=CC(Br)=CN=C1[C@H](C)N N14913 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 N12239 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.166 CC1=CC=C(C(C)C)C(N)=N1 AT11138 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.277 CCC1=CC(N)=C(C)C=C1C C14445 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.278 CC1=CN=C(CCl)C(C)=C1Cl C14781 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.279 CCC1=CN=C(CC)C(Cl)=N1 C16219 [1,1,0,0,0,0|1,0,0]=3 101 B11R1.279 COC1=NC(C)=C(CO)C=C1 O10141 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.8 CC1=CC(O)=C(C)C(CCl)=N1 44447 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N12153 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.167 CC1=CN=C(F)C([C@H](C)O)=C1 N13304 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.182 CCNC1=C(N)N=CC(Br)=N1 23955 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.99 COC1=CC=C([C@H](C)O)C(OC)=N1 D75063 [0,2,0,0,0,0|2,0,0]=4 107 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,0,0,1,0,0|2,0,0]=4 108 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|2,0,0]=4 109 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|2,0,0]=4 110 B11R2.36 NC1=CN=C2CCCC2=C1 F30816 [1,0,0,1,0,0|2,0,0]=4 111 B11R2.36 OC1=CN=C2CCCC2=C1 F30817 [1,0,0,1,0,0|2,0,0]=4 112 B11R2.36 OC1=NC2=C(C=C1)CCC2 20278 [1,0,0,1,0,0|2,0,0]=4 113 B11R2.10 BrC1=NC2=C(CCCC2)N1 F31296 [0,0,0,1,1,0|1,0,1]=4 114 B11R2.10 CC1=CN2CCNCC2=N1 74885 [0,0,0,1,1,0|2,0,0]=4 115 B11R2.10 CC1=NC2=C(CNCC2)N1 C75290 [0,0,0,1,1,0|1,0,1]=4 116 B11R2.10 CC1=NN2CCNCC2=C1 AT11152 [0,0,0,1,1,0|2,0,0]=4 117 B11R2.10 CN1C=C2CNCCC2=N1 N13269 [0,0,0,1,1,0|2,0,0]=4 118 B11R2.191 CNC1=NNC2=C1CCC2 W10132 [0,0,0,1,1,0|2,0,0]=4 119 B11R2.191 OCC1=NNC2=C1CCC2 F13209 [0,0,0,1,1,0|2,0,0]=4 120 B13R2.162 O[C@H]1CCCC2=C1N=C(Cl)C=C2 D80151 [0,1,0,1,0,0|2,0,0]=4 121 B13R2.57 NCC1=CC=C2CCCNC2=N1 69936 [0,1,0,1,0,0|2,0,0]=4 122 B13R2.3729 BrC1=CN=C2CCCCCC2=C1 F30814 [0,1,0,1,0,0|2,0,0]=4 123 B13R2.3729 ClC1=NC2=C(C=C1)CCNCC2 P11147 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.3729 NC1=CN=C2CCCCCC2=C1 F30813 [0,1,0,1,0,0|2,0,0]=4 125 B13R2.3729 OC1=CN=C2CCCCCC2=C1 F30815 [0,1,0,1,0,0|2,0,0]=4 126 B13R2.328 CC1=CC(O)=C2CCCCC2=N1 F18337 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.14 CCN1C=CN=C1CBr AT15681 [1,0,0,0,1,0|2,0,0]=4 128 B9R1.14 CCN1C=CN=C1CCl AT15684 [1,0,0,0,1,0|2,0,0]=4 129 B9R1.14 CCN1C=CN=C1CN AT15633 [1,0,0,0,1,0|2,0,0]=4 130 B9R1.14 CCN1C=CN=C1CN D73529 [1,0,0,0,1,0|2,0,0]=4 131 B9R1.14 CCN1C=CN=C1CO W12209 [1,0,0,0,1,0|2,0,0]=4 132 B9R1.14 CCN1N=CC=C1CCl AT15932 [1,0,0,0,1,0|2,0,0]=4 133 B9R1.14 CCN1N=CC=C1CN AT14325 [1,0,0,0,1,0|2,0,0]=4 134 B9R1.22 CC1=CC(CCl)=C(C)S1 AT17067 [1,0,0,0,1,0|2,0,0]=4 135 B9R1.22 CC1=CC(CN)=C(C)O1 AT17533 [1,0,0,0,1,0|2,0,0]=4 136 B9R1.22 CC1=CC(CN)=C(C)O1 AT17544 [1,0,0,0,1,0|2,0,0]=4 137 B9R1.22 CC1=CC(CN)=C(C)S1 AT16798 [1,0,0,0,1,0|2,0,0]=4 138 B9R1.22 CC1=CC(CO)=C(C)S1 AT16768 [1,0,0,0,1,0|2,0,0]=4 139 B9R1.22 CC1=NC(C)=C(CCl)N1 AT15570 [1,0,0,0,1,0|1,0,1]=4 140 B9R1.22 CC1=NC(C)=C(CCl)O1 88379 [1,0,0,0,1,0|2,0,0]=4 141 B9R1.22 CC1=NC(C)=C(CN)S1 AC4653 [1,0,0,0,1,0|2,0,0]=4 142 B9R1.22 CC1=NC(CBr)=C(C)S1 AT15282 [1,0,0,0,1,0|2,0,0]=4 143 B9R1.22 CC1=NC(CCl)=C(C)O1 AT18616 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.22 CC1=NC(CCl)=C(C)S1 AT15305 [1,0,0,0,1,0|2,0,0]=4 145 B9R1.22 CC1=NN(C)C(CCl)=N1 AT12165 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.22 CC1=NN(C)C=C1CCl AT16096 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.22 CC1=NN(C)C=C1CO AT14447 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.22 CCC1=C(C)N=C(N)S1 O11427 [1,0,0,0,1,0|2,0,0]=4 149 B9R1.22 CCC1=NC(Br)=NN1C AT12554 [1,0,0,0,1,0|2,0,0]=4 150 B9R1.22 CNC1=CC(C)=NN1C 71734 [1,0,0,0,1,0|2,0,0]=4 151 B9R1.132 CC1=CN=C(CO)N1C N13322 [1,0,0,0,1,0|2,0,0]=4 152 B9R1.132 CCN1N=CC(I)=C1C AT10955 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.27 CC1=C(CCl)N(C)N=C1 F30435 [1,0,0,0,1,0|2,0,0]=4 154 B9R1.27 CC1=CSC(C)=C1CO 93334 [1,0,0,0,1,0|2,0,0]=4 155 B9R1.27 CC1=NOC(C)=C1CS 89771 [1,0,0,0,1,0|2,0,0]=4