0 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,0,0,0,0,0|3,1,0]=4 1 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,0,0|3,1,0]=4 2 B9R1.6 NC(=S)C1=NC=CC=N1 BB12-3525 [0,0,0,0,0,0|2,1,0]=3 3 B9R1.6 NC(=S)C1=NC=CN=C1 BB12-3484 [0,0,0,0,0,0|2,1,0]=3 4 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,0,0|1,0,0]=2 5 B10R1.13 CC(O)C1=CC=C(N)C=C1 BB12-2291 [0,1,0,0,0,0|1,0,2]=4 6 B10R1.13 CC1=CC=C(C(=N)N)C=C1 BB20-3270 [0,1,0,0,0,0|3,0,0]=4 7 B10R1.13 NC(=O)C1=CC=C(N)N=N1 BB01-7655 [0,1,0,0,0,0|2,0,0]=3 8 B10R1.13 NC(=O)C1=NNC(=O)C=C1 BB10-0123 [0,1,0,0,0,0|2,0,0]=3 9 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,0,0|3,0,0]=4 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|1,0,0]=2 12 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,1,0,0,0,0|3,0,0]=4 13 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,1,0,0,0,0|2,0,0]=3 14 B10R1.13 O=[N+]([O-])C1=NC=C(Br)C=C1 BB12-2213 [0,1,0,0,0,0|2,0,0]=3 15 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,1,0,0,0,0|1,0,1]=3 16 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,1,0,0,0,0|0,0,0]=1 17 B10R1.15 CNC(C)C1=CC=CC=C1 BB12-1671 [0,1,0,0,0,0|2,0,1]=4 18 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,1,0,0,0,0|2,0,0]=3 19 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,1,0,0,0,0|2,0,0]=3 20 B10R1.15 N=C(NO)C1=CC=CC=C1 BB20-3129 [0,1,0,0,0,0|2,0,1]=4 21 B10R1.15 NC(CO)C1=CC=CC=C1 BB01-6618 [0,1,0,0,0,0|2,0,1]=4 22 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,1,0,0,0,0|1,0,0]=2 23 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,1,0,0,0,0|2,0,0]=3 24 B10R1.15 N\C(=N/O)C1=NC=CC=C1 BB12-3473 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.15 N\C(=N/O)C1=NC=CN=C1 BB12-3481 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.15 N\N=C(/N)C1=CC=CC=C1 BB10-1016 [0,1,0,0,0,0|3,0,0]=4 27 B10R1.61 CN(C)C1=C(N)C=CC=C1 BB12-1582 [0,1,0,0,0,0|3,0,0]=4 28 B10R1.61 CN(C)C1=NC=CC=C1N BB12-1642 [0,1,0,0,0,0|2,0,0]=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 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.61 O=[N+]([O-])C1=NC=CC=C1O BB01-6547 [0,1,0,0,0,0|2,0,0]=3 32 B10R1.113 CC(C)C1=CC=NC(N)=N1 BB12-3696 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.113 CC(C)C1=CC=NC(O)=N1 BB12-3691 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.113 CC(N)C1=CC(Br)=CC=C1 BB53-1527 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,1,0,0,0,0|1,0,0]=2 36 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,1,0,0,0,0|3,0,0]=4 37 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [0,0,0,0,1,0|2,0,0]=3 38 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [0,0,0,0,1,0|3,0,0]=4 39 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,1,0|2,0,0]=3 40 B8R1.7 O=[N+]([O-])C1=NC=CN1 BB12-3037 [0,0,0,0,1,0|3,0,0]=4 41 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB55-3830 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.7 O=[N+]([O-])N1C=CC=N1 BB55-3955 [0,0,0,0,1,0|3,0,0]=4 43 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,1|2,0,0]=3 44 B7R1.3 CC1=CC=NC=N1 BB17-0193 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.1 CC1=CN=C(C=O)C=C1 BB12-2174 [1,1,0,0,0,0|0,0,0]=2 46 B9R1.1 N#CC1=CC=C(N)C=N1 BB01-7921 [1,1,0,0,0,0|1,0,1]=4 47 B9R1.1 NNC1=NC=C(F)C=C1 BB12-1190 [1,1,0,0,0,0|2,0,0]=4 48 B9R1.2 CCC1=CC=NC(N)=N1 BB12-3720 [1,1,0,0,0,0|1,0,1]=4 49 B9R1.2 CCC1=CC=NC(O)=N1 BB12-3719 [1,1,0,0,0,0|1,0,1]=4 50 B9R1.2 CNC1=CC(F)=CC=C1 BB01-7291 [1,1,0,0,0,0|2,0,0]=4 51 B9R1.2 COC1=NC(Cl)=NC=C1 BB10-0746 [1,1,0,0,0,0|2,0,0]=4 52 B9R1.2 COC1=NC=CC(N)=N1 BB20-3494 [1,1,0,0,0,0|2,0,0]=4 53 B9R1.2 CSC1=NC(C)=CC=N1 BB12-1624 [1,1,0,0,0,0|2,0,0]=4 54 B9R1.8 N#CCC1=NC=CC=C1 BB53-1348 [1,1,0,0,0,0|0,0,2]=4 55 B9R1.15 CNC1=C(C)C=CC=C1 BB01-7286 [1,1,0,0,0,0|2,0,0]=4 56 B9R1.15 CNC1=CC=CC=C1N BB12-2750 [1,1,0,0,0,0|2,0,0]=4 57 B9R1.15 CNC1=NC=CC=C1Cl BB12-1745 [1,1,0,0,0,0|1,0,0]=3 58 B9R1.15 CNC1=NC=CN=C1Cl BB12-1107 [1,1,0,0,0,0|2,0,0]=4 59 B9R1.15 O=CC1=CC=CN=C1Br BB56-0225 [1,1,0,0,0,0|2,0,0]=4 60 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,1,0,0,1,0|1,0,0]=3 61 B9R1.11 C\C(=N\O)C1=CSC=N1 BB12-2088 [0,1,0,0,1,0|1,0,1]=4 62 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,1,0,0,1,0|2,0,0]=4 63 B9R1.11 NNC(=O)C1=NC=CN1 BB01-6031 [0,1,0,0,1,0|2,0,0]=4 64 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [0,1,0,0,1,0|2,0,0]=4 65 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,1,0,0,1,0|2,0,0]=4 66 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,1,0,0,1,0|2,0,0]=4 67 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,1,0,0,1,0|2,0,0]=4 68 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,1,0,0,1,0|2,0,0]=4 69 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,1,0,0,1,0|2,0,0]=4 70 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [0,1,0,0,0,1|1,0,0]=3 72 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [0,1,0,0,0,1|1,0,0]=3 73 B11R1.20 NC(=S)NC1=NC=C(Cl)C=C1 BB10-1285 [0,1,0,0,0,1|1,1,0]=4 74 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [0,1,0,0,0,1|2,0,0]=4 75 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 BB20-4534 [0,1,0,0,0,1|2,0,0]=4 76 B11R1.40 NNC(=O)CC1=NC=CC=C1 BB12-2162 [0,1,0,0,0,1|1,0,0]=3 77 B11R1.40 O=C(CS)NC1=CC=CC=C1 BB12-3947 [0,1,0,0,0,1|1,0,0]=3 78 B11R1.40 O=C\C(Br)=C\C1=CC=CC=C1 BB17-2230 [0,1,0,0,0,1|2,0,0]=4 79 B11R1.86 CC(=O)NC1=CC=CC=C1S BB12-2835 [0,1,0,0,0,1|1,0,0]=3 80 B11R1.86 CC1=C(NC(N)=S)N=CC=C1 BB10-1286 [0,1,0,0,0,1|1,1,0]=4 81 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 BB12-2255 [0,1,0,0,0,1|1,0,0]=3 82 B11R1.509 CS(=O)(=O)NC1=CC=CC=C1 BB53-1859 [0,1,0,0,0,1|2,0,0]=4 83 B11R1.3 NC(=O)C1=CC=C(C=O)C=C1 BB12-1599 [0,2,0,0,0,0|2,0,0]=4 84 B11R1.3 NC(=O)C1=CC=C(CCl)C=C1 BB53-1358 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 BB12-2672 [0,2,0,0,0,0|2,0,0]=4 86 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 BB56-2538 [0,2,0,0,0,0|2,0,0]=4 87 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 BB12-2899 [0,2,0,0,0,0|1,0,0]=3 88 B11R1.21 O=C(O)C1=CC=C(F)C(Cl)=C1 BB12-4696 [0,2,0,0,0,0|2,0,0]=4 89 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 BB53-4156 [0,2,0,0,0,0|1,0,0]=3 90 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 BB12-2577 [0,2,0,0,0,0|2,0,0]=4 91 B11R1.22 CCC(=O)C1=CC=C(Cl)C=C1 BB17-2353 [0,2,0,0,0,0|1,0,0]=3 92 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BB12-1843 [0,2,0,0,0,0|1,0,0]=3 93 B11R1.22 COC(=O)C1=CC=C(O)C=N1 BB56-2624 [0,2,0,0,0,0|0,0,0]=2 94 B11R1.22 COC(=O)C1=NNC(=O)C=C1 BB10-0119 [0,2,0,0,0,0|1,0,0]=3 95 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BB26-0169 [0,2,0,0,0,0|1,0,0]=3 96 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 BB12-2695 [0,2,0,0,0,0|2,0,0]=4 97 B11R1.22 NNC(=O)C1=CC=C(I)C=C1 BB17-2382 [0,2,0,0,0,0|2,0,0]=4 98 B11R1.22 NNC(=O)C1=NNC(=O)C=C1 BB10-0134 [0,2,0,0,0,0|2,0,0]=4 99 B11R1.22 O=C(CBr)C1=CC=C(Br)C=C1 BB01-6328 [0,2,0,0,0,0|1,0,0]=3 100 B11R1.22 O=C(CBr)C1=CC=C(Cl)C=C1 BB53-4155 [0,2,0,0,0,0|1,0,0]=3 101 B11R1.22 O=C(CBr)C1=CC=C(I)C=C1 BB20-3112 [0,2,0,0,0,0|1,0,0]=3 102 B11R1.22 O=C(CCl)C1=CC=C(Cl)C=C1 BB01-6260 [0,2,0,0,0,0|1,0,0]=3 103 B11R1.166 CC(=O)C1=C(F)C=C(O)C=C1 BB12-2243 [0,2,0,0,0,0|1,0,0]=3 104 B11R1.166 NC1=CC(Br)=C(C(=O)O)C=C1 BB17-0728 [0,2,0,0,0,0|2,0,0]=4 105 B11R1.166 O=C(O)C1=C(Cl)C=C(Br)C=C1 BB20-4599 [0,2,0,0,0,0|2,0,0]=4 106 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 BB12-2552 [0,2,0,0,0,0|2,0,0]=4 107 B11R1.16 CC(N=C=O)C1=CC=CC=C1 BB12-1551 [0,2,0,0,0,0|1,0,1]=4 108 B11R1.16 CCOC(=O)C1=CC=NC=C1 BB12-2749 [0,2,0,0,0,0|2,0,0]=4 109 B11R1.16 N#CNC(=O)C1=CC=CC=C1 BB12-1130 [0,2,0,0,0,0|1,0,1]=4 110 B11R1.23 CC1=CC(C(=O)NN)=CC=C1 BB12-2533 [0,2,0,0,0,0|2,0,0]=4 111 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BB12-3222 [0,2,0,0,0,0|2,0,0]=4 112 B11R1.222 COC(=O)C1=C(S)C=CC=C1 BB12-1508 [0,2,0,0,0,0|1,0,0]=3 113 B11R1.222 COC(=O)C1=NC=CC=C1O BB17-0205 [0,2,0,0,0,0|0,0,0]=2 114 B11R1.53 CN(C)C1=NC=CC=C1C#N BB53-1353 [0,2,0,0,0,0|2,0,0]=4 115 B11R1.53 NCC1=C(C(N)=O)C=CC=C1 BB12-1453 [0,2,0,0,0,0|2,0,0]=4 116 B11R1.53 NNC1=CC=CC=C1C(=O)O BB12-2554 [0,2,0,0,0,0|2,0,0]=4 117 B11R1.156 O=C(O)C1=C(Cl)C=CC=C1Br BB20-4624 [0,2,0,0,0,0|2,0,0]=4 118 B11R1.159 O=C(O)C1=C(O)C(Br)=CC=C1 BB12-4608 [0,2,0,0,0,0|2,0,0]=4 119 B11R1.159 O=C(O)C1=C(O)C(Cl)=CC=C1 BB12-4662 [0,2,0,0,0,0|2,0,0]=4 120 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 BB53-1900 [0,2,0,0,0,0|1,0,0]=3 121 B11R1.167 NC(=O)C1=C(Br)C=CC(I)=C1 BB17-0460 [0,2,0,0,0,0|2,0,0]=4 122 B11R1.167 NC(=O)C1=C(Cl)C=CC(Br)=C1 BB17-0366 [0,2,0,0,0,0|2,0,0]=4 123 B11R1.167 O=[N+]([O-])C1=NC(Br)=CC=C1O BB20-3375 [0,2,0,0,0,0|2,0,0]=4 124 B11R1.266 N#CC1=CC=CC(C(N)=O)=C1 BB12-1669 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,1,1,0,0|1,0,1]=4 126 B11R2.10 CC1=NC2=CC=CC=C2O1 BB12-1505 [0,0,0,1,0,1|1,0,1]=4 127 B11R2.10 CC1=NC2=CC=CN=C2N1 BB12-2830 [0,0,0,1,0,1|1,0,0]=3 128 B11R2.10 NC1=NC2=C(N=CC=C2)S1 BB56-2479 [0,0,0,1,0,1|2,0,0]=4 129 B11R2.10 O=C1NC2=CC=CC=C2N1 BB12-1666 [0,0,0,1,0,1|2,0,0]=4 130 B11R2.10 S=C1NC2=NC=CC=C2O1 BB12-2264 [0,0,0,1,0,1|1,0,1]=4 131 B11R2.10 SC1=NC2=NC=CC=C2O1 BB12-1574 [0,0,0,1,0,1|1,0,1]=4 132 B7R1.1 CCC1=NNC=C1 BB12-3522 [1,0,0,0,1,0|1,0,1]=4 133 B11R1.91 O=C(Cl)CSC1=NC=CC=C1 BB12-3011 [0,0,0,0,0,2|1,0,0]=3 134 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [0,0,0,0,0,2|2,0,0]=4