0 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,0,0,0,0,0|2,1,0]=3 1 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,0,0|0,1,0]=1 2 B9R1.6 NC(=S)C1=NC=CC=N1 BB12-3525 [0,0,0,0,0,0|3,1,0]=4 3 B9R1.6 NC(=S)C1=NC=CN=C1 BB12-3484 [0,0,0,0,0,0|1,1,0]=2 4 B9R1.6 OB(O)C1=CN=CN=C1 BB01-0942 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,0,0|2,0,0]=3 6 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,1,0,0,0,0|2,0,0]=3 7 B10R1.13 NC(=O)C1=CC=C(N)N=N1 BB01-7655 [0,1,0,0,0,0|1,0,0]=2 8 B10R1.13 NC(=O)C1=NNC(=O)C=C1 BB10-0123 [0,1,0,0,0,0|1,0,1]=3 9 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,0,0|1,0,0]=2 10 B10R1.13 O=C(Cl)C1=NN=C(Cl)C=C1 BB10-0141 [0,1,0,0,0,0|2,0,0]=3 11 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,1,0,0,0,0|3,0,0]=4 12 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,1,0,0,0,0|2,0,0]=3 13 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,1,0,0,0,0|2,0,1]=4 14 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,1,0,0,0,0|3,0,0]=4 16 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,1,0,0,0,0|2,0,1]=4 17 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,1,0,0,0,0|1,0,2]=4 18 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,1,0,0,0,0|3,0,0]=4 19 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 N=C(NO)C1=CC=CN=C1 BB20-3167 [0,1,0,0,0,0|1,0,0]=2 21 B10R1.15 N=C(NO)C1=CC=NC=C1 BB20-3168 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,1,0,0,0,0|1,0,2]=4 23 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,1,0,0,0,0|1,0,0]=2 25 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB12-3473 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 N\C(=N/O)C1=NC=CN=C1 BB12-3481 [0,1,0,0,0,0|1,0,1]=3 27 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.61 N=C(N)C1=CC=CNC1=O BB53-1630 [0,1,0,0,0,0|1,0,1]=3 29 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,1,0,0,0,0|3,0,0]=4 30 B10R1.61 NC1=NC=CC=C1[N+](=O)[O-] BB01-8313 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,1,0,0,0,0|1,0,0]=2 32 B10R1.61 O=C(O)C1=CN=CNC1=O BB10-0517 [0,1,0,0,0,0|2,0,0]=3 33 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] BB12-2804 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.61 O=[N+]([O-])C1=CC=CN=C1Br BB12-2246 [0,1,0,0,0,0|2,0,0]=3 35 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,1,0,0,0,0|2,0,0]=3 37 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,1,0,0,0,0|1,0,0]=2 38 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=CN=NN1 BB90-0079 [0,0,0,0,1,0|3,0,0]=4 40 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [0,0,0,0,1,0|2,0,0]=3 41 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,1,0|2,0,0]=3 42 B8R1.7 O=[N+]([O-])C1=CNN=C1 BB12-1647 [0,0,0,0,1,0|3,0,0]=4 43 B8R1.7 O=[N+]([O-])C1=NC=CN1 BB12-3037 [0,0,0,0,1,0|3,0,0]=4 44 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB55-3830 [0,0,0,0,1,0|3,0,0]=4 45 B8R1.7 O=[N+]([O-])N1C=CC=N1 BB55-3955 [0,0,0,0,1,0|3,0,0]=4 46 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,1|1,0,0]=2 47 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.1 ClCC1=CC=C(Cl)N=C1 BB12-1167 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.1 NCC1=CC=C(O)C=C1 BB12-1603 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.1 NNC1=CC=C(I)C=C1 BB56-2534 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.1 NNC1=CN=C(Cl)C=C1 BB12-1208 [1,1,0,0,0,0|1,0,0]=3 52 B9R1.1 NNC1=NN=C(Cl)C=C1 BB01-2570 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.2 CC1=CC(NN)=CC=C1 BB56-2532 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.2 NCC1=CC=CC(Cl)=C1 BB01-4636 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.2 NNC1=CC(Br)=CC=C1 BB56-0176 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.2 NNC1=CC=CC(Cl)=C1 BB56-0328 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.2 NNC1=CC=CC(F)=C1 BB56-0065 [1,1,0,0,0,0|2,0,0]=4 58 B9R1.8 [C-]#[N+]CC1=CC=CN=C1 BB56-1200 [1,1,0,0,0,0|0,0,2]=4 59 B9R1.15 CNC1=CC=CN=C1N BB12-1643 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.15 COC1=CC=CN=C1C BB17-0165 [1,1,0,0,0,0|2,0,0]=4 61 B9R1.15 N#CC1=CC=CN=C1N BB17-0160 [1,1,0,0,0,0|0,0,2]=4 62 B9R1.15 NCC1=CC=CN=C1N BB12-1525 [1,1,0,0,0,0|0,0,1]=3 63 B9R1.15 NNC1=CC=CC=C1I BB56-0829 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.15 NNC1=CC=CN=C1Cl BB10-0530 [1,1,0,0,0,0|1,0,0]=3 65 B9R1.15 O=CC1=CC=CN=C1Br BB56-0225 [1,1,0,0,0,0|0,0,0]=2 66 B9R1.15 OCC1=CC=CN=C1Cl BB12-3681 [1,1,0,0,0,0|0,0,2]=4 67 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,1,0,0,1,0|1,0,0]=3 69 B9R1.11 NNC(=O)C1=NC=CN1 BB01-6031 [0,1,0,0,1,0|1,0,0]=3 70 B9R1.11 N\C(=N/O)C1=CSC=C1 BB91-0071 [0,1,0,0,1,0|1,0,1]=4 71 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [0,1,0,0,1,0|1,0,0]=3 72 B9R1.35 CC1=CC=C(C(=N)N)O1 BB12-3708 [0,1,0,0,1,0|2,0,0]=4 73 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,1,0,0,1,0|2,0,0]=4 75 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,1,0,0,1,0|2,0,0]=4 77 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.41 NC1=C(C(=O)O)NN=C1 BB55-4193 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB55-3823 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB56-2893 [0,1,0,0,1,0|2,0,0]=4 83 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,0,1|2,0,0]=4 84 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,0,1|2,0,0]=4 85 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [0,1,0,0,0,1|1,1,0]=4 86 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,1|1,0,0]=3 88 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.40 NNC(=S)NC1=CC=CC=C1 BB12-2786 [0,1,0,0,0,1|1,1,0]=4 90 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 BB53-1496 [0,1,0,0,0,1|2,0,0]=4 95 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,2,0,0,0,0|1,0,0]=3 97 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [0,2,0,0,0,0|1,0,0]=3 98 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 BB12-3514 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,2,0,0,0,0|2,0,0]=4 101 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,2,0,0,0,0|2,0,0]=4 102 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,2,0,0,0,0|1,0,0]=3 107 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [0,2,0,0,0,0|1,0,0]=3 108 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [0,2,0,0,0,0|1,0,0]=3 109 B11R1.22 NNC(=O)C1=NNC(=O)C=C1 BB10-0134 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [0,2,0,0,0,0|2,0,0]=4 113 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,2,0,0,0,0|2,0,0]=4 114 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.166 CC(=O)C1=CNC(=O)N=C1C BB53-1707 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.166 NC1=C(C(=O)O)C=NC(=S)N1 BB52-2194 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.166 NC1=C(C(=O)O)C=NC(O)=N1 BB12-4164 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.166 NC1=NC(S)=NC=C1C(=O)O BB52-6462 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [0,2,0,0,0,0|2,0,0]=4 121 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.166 O=C(O)C1=C(O)C=C(O)N=C1 BB12-2178 [0,2,0,0,0,0|1,0,0]=3 123 B11R1.166 O=C(O)C1=CC=C(Cl)N=C1Cl BB12-2212 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.16 N#CNC(=N)C1=CC=CC=C1 BB12-1066 [0,2,0,0,0,0|2,0,0]=4 125 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.16 N#C\C=C(\N)C1=CC=CC=C1 BB20-4559 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.16 N#C\N=C(\N)C1=CC=CC=C1 BB53-1705 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [0,2,0,0,0,0|2,0,0]=4 130 B11R1.23 NNC(=O)C1=CC(N)=NC=C1 BB12-2161 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.222 CC1=C(\C(N)=N\O)C=CC=C1 BB12-3478 [0,2,0,0,0,0|1,0,1]=4 132 B11R1.222 COC(=O)C1=C(O)N=CN=C1 BB12-4463 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.222 N\C(=N/O)C1=C(Cl)N=CC=C1 BB12-3491 [0,2,0,0,0,0|0,0,1]=3 135 B11R1.222 N\C(=N/O)C1=CC=CC=C1F BB10-0059 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.87 O=S(=O)(Cl)C1=CC=CN=C1Cl BB90-0003 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.53 CNC1=NC=CC=C1C(=O)O BB12-3552 [0,2,0,0,0,0|1,0,0]=3 138 B11R1.53 CNC1=NC=CC=C1[N+](=O)[O-] BB12-3019 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [0,2,0,0,0,0|1,0,0]=3 140 B11R1.53 NNC1=CC=CC=C1C(=O)O BB12-2554 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Br BB20-4624 [0,2,0,0,0,0|2,0,0]=4 142 B11R1.159 CN1C=CC=C(C(=O)O)C1=O BB12-3383 [0,2,0,0,0,0|1,0,1]=4 143 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BB12-4608 [0,2,0,0,0,0|2,0,0]=4 144 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 BB12-4662 [0,2,0,0,0,0|2,0,0]=4 145 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [0,2,0,0,0,0|2,0,0]=4 146 B11R1.167 CC1=CN=C(O)C([N+](=O)[O-])=C1 BB12-2231 [0,2,0,0,0,0|2,0,0]=4 147 B11R1.167 NC(=O)C1=C(Br)C=CC(I)=C1 BB17-0460 [0,2,0,0,0,0|1,0,0]=3 148 B11R1.167 NC(=O)C1=C(Cl)C=CC(Br)=C1 BB17-0366 [0,2,0,0,0,0|1,0,0]=3 149 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 BB12-1669 [0,2,0,0,0,0|1,0,0]=3 150 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,0,0,1,0,1|1,0,0]=3 151 B11R2.10 NC1=NC2=C(N=CC=C2)S1 BB56-2479 [0,0,0,1,0,1|0,1,0]=3 152 B11R2.10 NC1=NN2C=CN=CC2=N1 BB12-1253 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,0,1|1,0,0]=3 154 B11R2.10 S=C1NC2=NC=CC=C2O1 BB12-2264 [0,0,0,1,0,1|0,1,0]=3 155 B11R2.10 SC1=NC2=NC=CC=C2O1 BB12-1574 [0,0,0,1,0,1|0,1,1]=4 156 B11R2.1 NC1=NNC2=C1C=CC=C2 BB26-0849 [0,1,0,1,0,0|2,0,0]=4 157 B7R1.1 NCC1=CC=NN1 BB01-4712 [1,0,0,0,1,0|1,0,1]=4 158 B7R1.1 NCC1=NC=CN1 BB12-2726 [1,0,0,0,1,0|1,0,1]=4 159 B11R1.91 NC(=S)COC1=CC=CC=C1 BB20-4704 [0,0,0,0,0,2|1,1,0]=4 160 B11R1.91 NC(=S)COC1=CC=CN=C1 BB20-4557 [0,0,0,0,0,2|0,1,0]=3 161 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,2|2,0,0]=4