0 B6R1.1 C1=COCCO1 T71041 [0,0,0,0,0,0|2,0,2]=4 1 B7R1.3 ClC1=CC=NC=C1 F17303 [0,1,0,0,0,0|0,0,0]=1 2 B7R1.3 ClC1=CN=NC=C1 F19795 [0,1,0,0,0,0|1,0,0]=2 3 B7R1.3 ClC1=NC=CC=N1 F20795 [0,1,0,0,0,0|1,0,0]=2 4 B7R1.3 ClC1=NC=NC=C1 F18311 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 FC1=CC=NC=C1 F19691 [0,1,0,0,0,0|0,0,0]=1 6 B7R1.3 FC1=CN=CN=C1 F14737 [0,1,0,0,0,0|1,0,0]=2 7 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 IC1=NC=NC=C1 C15557 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 O=C1C=NCN=C1 36727 [0,1,0,0,0,0|1,0,1]=3 10 B7R1.3 O=C1C=NN=CN1 F30273 [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 OC1=CN=NC=C1 O12057 [0,1,0,0,0,0|1,0,0]=2 12 B7R1.3 OC1=CN=NCC1 S11490 [0,1,0,0,0,0|1,0,2]=4 13 B7R1.3 SC1=NN=CC=C1 AT13031 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 [2H]C1=CC=CC=C1 D98570 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 [2H]C1=CC=NC=C1 D98795 [0,1,0,0,0,0|0,0,0]=1 17 B7R1.3 [2H]C1=NC=CC=C1 D98277 [0,1,0,0,0,0|0,0,0]=1 18 B5R0.2 N\N=C\C=N\N D72709 [0,0,1,0,0,0|3,0,0]=4 19 B5R1.1 C1=CNC=N1 AT25065 [0,0,0,0,1,0|1,0,0]=2 20 B5R1.1 C1=CNC=N1 T71525 [0,0,0,0,1,0|1,0,0]=2 21 B5R1.1 C1=CNC=N1 T72823 [0,0,0,0,1,0|1,0,0]=2 22 B5R1.1 C1=NCCO1 F18129 [0,0,0,0,1,0|1,0,2]=4 23 B5R1.1 C1=NNCC1 F12428 [0,0,0,0,1,0|1,0,2]=4 24 B4R0.2 O=C\C=N/O F18478 [1,0,1,0,0,0|2,0,0]=4 25 B4R0.2 O=C\C=N\O F18186 [1,0,1,0,0,0|2,0,0]=4 26 B6R0.4 C=C\C=C/C(=O)O C74528 [0,1,1,0,0,0|1,0,0]=3 27 B6R0.4 C=C\C=C\C(=O)O 35918 [0,1,1,0,0,0|1,0,0]=3 28 B6R0.6 C=CCCCC=C T72268 [0,1,1,0,0,0|1,0,1]=4 29 B6R0.6 O=C\C=C\C=C\[O-] 98104 [0,1,1,0,0,0|1,0,0]=3 30 B6R1.2 BrC1=CC=NS1 AT21099 [0,1,0,0,1,0|1,0,0]=3 31 B6R1.2 CC1=CN=CO1 C77581 [0,1,0,0,1,0|1,0,0]=3 32 B6R1.2 CC1=NC=CO1 O10838 [0,1,0,0,1,0|1,0,0]=3 33 B6R1.2 CC1=NSC=C1 AC6637 [0,1,0,0,1,0|1,0,0]=3 34 B6R1.2 ClC1=CSN=C1 F13704 [0,1,0,0,1,0|1,0,0]=3 35 B6R1.2 ClC1=NC=CO1 F20650 [0,1,0,0,1,0|1,0,0]=3 36 B6R1.2 ClC1=NC=NN1 O11392 [0,1,0,0,1,0|2,0,0]=4 37 B6R1.2 ClC1=NN=CN1 O10979 [0,1,0,0,1,0|2,0,0]=4 38 B6R1.2 ClC1=NSC=C1 F19768 [0,1,0,0,1,0|1,0,0]=3 39 B6R1.2 ClC1=NSN=C1 AT12128 [0,1,0,0,1,0|2,0,0]=4 40 B6R1.2 IC1=NN=CS1 C74707 [0,1,0,0,1,0|2,0,0]=4 41 B6R1.2 NC1=CC=CS1 44128 [0,1,0,0,1,0|1,0,0]=3 42 B6R1.2 NC1=CC=CS1 F10359 [0,1,0,0,1,0|1,0,0]=3 43 B6R1.2 NC1=CC=NS1 W16800 [0,1,0,0,1,0|1,0,0]=3 44 B6R1.2 NC1=CNC=N1 P20245 [0,1,0,0,1,0|1,0,0]=3 45 B6R1.2 NC1=CNN=N1 AT26923 [0,1,0,0,1,0|2,0,0]=4 46 B6R1.2 OC1=CON=C1 AT21052 [0,1,0,0,1,0|1,0,0]=3 47 B6R1.2 OC1=NN=CS1 AT18843 [0,1,0,0,1,0|2,0,0]=4 48 B6R1.2 SC1=NC=CO1 AT18533 [0,1,0,0,1,0|1,0,0]=3 49 B6R1.2 [2H]N1C=CC=C1 D98995 [0,1,0,0,1,0|0,0,1]=3 50 B8R1.2 BrCC1=CN=CN=C1 F52462 [0,2,0,0,0,0|1,0,0]=3 51 B8R1.2 BrCC1=NC=CC=N1 D79434 [0,2,0,0,0,0|1,0,0]=3 52 B8R1.2 C=CC1=CC=CN=C1 71366 [0,2,0,0,0,0|0,0,0]=2 53 B8R1.2 C=CC1=NC=CN=C1 T72447 [0,2,0,0,0,0|1,0,0]=3 54 B8R1.2 CNC1=CC=CN=N1 79165 [0,2,0,0,0,0|1,0,0]=3 55 B8R1.2 CSC1=NC=CC=N1 O10841 [0,2,0,0,0,0|1,0,0]=3 56 B8R1.2 ClCC1=NC=NC=C1 A10562 [0,2,0,0,0,0|1,0,0]=3 57 B8R1.2 NCC1=CC=CC=C1 T70846 [0,2,0,0,0,0|1,0,0]=3 58 B8R1.2 NNC1=CC=CN=N1 C15759 [0,2,0,0,0,0|1,0,0]=3 59 B8R1.2 NNC1=NC=NC=C1 57488 [0,2,0,0,0,0|1,0,0]=3 60 B8R1.2 SCC1=NC=CN=C1 78318 [0,2,0,0,0,0|1,0,0]=3 61 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [0,2,0,0,0,0|1,0,0]=3 62 B8R1.3 BrC1=NN=C(I)C=C1 AT17784 [0,2,0,0,0,0|1,0,0]=3 63 B8R1.3 CC1=CN=C(C)N=C1 C15366 [0,2,0,0,0,0|1,0,0]=3 64 B8R1.3 CC1=CN=C(Cl)N=C1 F13414 [0,2,0,0,0,0|1,0,0]=3 65 B8R1.3 CC1=CN=C(I)N=C1 90174 [0,2,0,0,0,0|1,0,0]=3 66 B8R1.3 CC1=CN=C(O)N=C1 W10551 [0,2,0,0,0,0|1,0,0]=3 67 B8R1.3 CC1=NC=C(I)C=N1 82252 [0,2,0,0,0,0|1,0,0]=3 68 B8R1.3 FC1=CN=C(I)N=C1 89571 [0,2,0,0,0,0|1,0,0]=3 69 B8R1.3 FC1=NC=C(Cl)C=N1 AT18407 [0,2,0,0,0,0|1,0,0]=3 70 B8R1.3 NC1=CC=C(N)N=N1 D78632 [0,2,0,0,0,0|1,0,0]=3 71 B8R1.3 NC1=CN=C(O)C=N1 N13380 [0,2,0,0,0,0|1,0,0]=3 72 B8R1.3 NC1=CN=C(S)C=C1 AT20609 [0,2,0,0,0,0|0,0,0]=2 73 B8R1.3 NC1=NC=C(O)C=N1 D78823 [0,2,0,0,0,0|1,0,0]=3 74 B8R1.3 NC1=NC=C([S-])C=N1 F51717 [0,2,0,0,0,0|1,0,0]=3 75 B8R1.3 NC1=NNC(=O)C=C1 AT17777 [0,2,0,0,0,0|1,0,0]=3 76 B8R1.3 O=C1C=CC(=O)N=N1 83325 [0,2,0,0,0,0|1,0,0]=3 77 B8R1.3 O=C1C=CC(F)=NN1 AT24740 [0,2,0,0,0,0|1,0,0]=3 78 B8R1.3 S=C1N=CC(Cl)=CN1 O11414 [0,2,0,0,0,0|1,0,0]=3 79 B8R1.3 [2H]C1=CC=C(Cl)C=C1 D98354 [0,2,0,0,0,0|1,0,0]=3 80 B8R1.3 [2H]C1=CC=C([2H])C=C1 D99669 [0,2,0,0,0,0|1,0,0]=3 81 B8R1.4 BrC1=CC(I)=NC=C1 A10666 [0,2,0,0,0,0|0,0,0]=2 82 B8R1.4 CC1=CC(I)=NC=C1 D87895 [0,2,0,0,0,0|0,0,0]=2 83 B8R1.4 CC1=CC=NC(I)=N1 N13215 [0,2,0,0,0,0|1,0,0]=3 84 B8R1.4 CC1=NC(N)=CN=N1 D86296 [0,2,0,0,0,0|2,0,0]=4 85 B8R1.4 ClC1=CC(I)=NC=N1 A51177 [0,2,0,0,0,0|1,0,0]=3 86 B8R1.4 ClC1=CC=NC(Br)=N1 81850 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.4 ClC1=NC(Cl)=NN=C1 F53483 [0,2,0,0,0,0|2,0,0]=4 88 B8R1.4 FC1=NC=CC(Br)=N1 AT18301 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.4 NC1=CC=CC(=S)N1 C15708 [0,2,0,0,0,0|0,0,1]=3 90 B8R1.4 NC1=NC(Cl)=NN=C1 92269 [0,2,0,0,0,0|2,0,0]=4 91 B8R1.4 O=C1C=C(S)NC=N1 FD7370 [0,2,0,0,0,0|1,0,0]=3 92 B8R1.4 O=C1C=CNC(=O)O1 C15625 [0,2,0,0,0,0|1,0,1]=4 93 B8R1.4 OC1=CC(I)=CN=C1 D74429 [0,2,0,0,0,0|0,0,0]=2 94 B8R1.4 SC1=CC(Br)=CN=C1 P12662 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.4 [2H]C1=CC=CC([2H])=C1 D99674 [0,2,0,0,0,0|1,0,0]=3 96 B8R1.4 [2H]C1=CC=CC([2H])=N1 D98925 [0,2,0,0,0,0|0,0,0]=2 97 B8R1.4 [O-][N+]1=CN=CC(O)=C1 F17903 [0,2,0,0,0,0|1,0,0]=3 98 B8R1.5 BrC1=C(Br)C=NN=C1 AT11972 [0,2,0,0,0,0|1,0,0]=3 99 B8R1.5 BrC1=CN=CN=C1I P11647 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.5 CC1=CC=NNC1=O 20227 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.5 CC1=CN=CN=C1Cl 72600 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.5 CC1=CN=NC=C1C C15709 [0,2,0,0,0,0|1,0,0]=3 103 B8R1.5 CC1=NC=CN=C1I P10643 [0,2,0,0,0,0|1,0,0]=3 104 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [0,2,0,0,0,0|0,0,1]=3 105 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,2,0,0,0,0|0,0,1]=3 106 B8R1.5 ClC1=C(Cl)C=NN=C1 S10980 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.5 FC1=C(F)C=NC=C1 O10910 [0,2,0,0,0,0|0,0,0]=2 108 B8R1.5 FC1=CC=CN=C1S AT18759 [0,2,0,0,0,0|0,0,0]=2 109 B8R1.5 FC1=NC=CN=C1I D76573 [0,2,0,0,0,0|1,0,0]=3 110 B8R1.5 IC1=NC=CN=C1I N13386 [0,2,0,0,0,0|1,0,0]=3 111 B8R1.5 NC1=C(S)C=NC=C1 P11896 [0,2,0,0,0,0|0,0,0]=2 112 B8R1.5 O=C1NC=NC=C1Cl P12334 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.5 O=C1NC=NC=C1I P13009 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.5 OC1=C(Cl)C=NC=N1 25825 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.5 OC1=C(O)C=NN=C1 S10982 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.5 OC1=[13C](O)C=CC=C1 D98565 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.5 S=C1C=CNC=C1Cl AT18152 [0,2,0,0,0,0|0,0,1]=3 118 B8R1.5 [2H]C1=C([2H])C=CC=C1 D97880 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.5 [O-][N+]1=C([S-])C=CC=C1 S12409 [0,2,0,0,0,0|0,0,1]=3