0 B8R1.7 CC(=O)C1=NN=CN1 BB17-0204 [0,0,0,0,0,0|2,0,0]=2 1 B8R1.7 CC(C)C1=CC=NN1 BB12-3679 [0,0,0,0,0,0|2,0,1]=3 2 B8R1.7 O=C(O)C1=CN=NN1 BB90-0079 [0,0,0,0,0,0|3,0,0]=3 3 B8R1.7 O=C(O)C1=CNN=C1 BB01-4399 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.7 O=C(O)C1=NOC=C1 BB20-4533 [0,0,0,0,0,0|2,0,1]=3 5 B8R1.7 O=[N+]([O-])C1=NC=CN1 BB12-3037 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.7 O=[N+]([O-])C1=NNC=C1 BB55-3830 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.7 O=[N+]([O-])N1C=CC=N1 BB55-3955 [0,0,0,0,0,0|3,0,1]=4 8 B8R1.7 OB(O)C1=CC=CO1 BB56-0777 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.1 CCC1=NNC=C1 BB12-3522 [1,0,0,0,0,0|1,0,2]=4 10 B7R1.1 NCC1=CC=NN1 BB01-4712 [1,0,0,0,0,0|2,0,1]=4 11 B7R1.1 NCC1=NC=CN1 BB12-2726 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.11 COC(=O)C1=CNC=N1 BB20-4625 [0,1,0,0,0,0|1,0,1]=3 13 B9R1.11 C\C(=N\O)C1=CSC=N1 BB12-2088 [0,1,0,0,0,0|1,0,2]=4 14 B9R1.11 NNC(=O)C1=CC=CO1 BB01-6372 [0,1,0,0,0,0|2,0,0]=3 15 B9R1.11 NNC(=O)C1=NC=CN1 BB01-6031 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.19 CC(C)(C)C1=NC=CN1 BB12-2884 [0,1,0,0,0,0|2,0,1]=4 17 B9R1.35 CC(C)C1=NC(Br)=CN1 BB12-3496 [0,1,0,0,0,0|2,0,1]=4 18 B9R1.35 CC1=CC(C(N)=O)=NO1 BB12-1502 [0,1,0,0,0,0|2,0,1]=4 19 B9R1.35 CC1=CC=C(C(=N)N)O1 BB12-3708 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.35 CC1=CNC(C(=O)O)=N1 BB12-3671 [0,1,0,0,0,0|2,0,0]=3 21 B9R1.35 CC1=NC(C(=O)O)=CS1 BB01-2835 [0,1,0,0,0,0|2,0,1]=4 22 B9R1.35 CC1=NNC(C(C)C)=C1 BB12-3662 [0,1,0,0,0,0|2,0,1]=4 23 B9R1.35 NC1=CC(C(=O)O)=NN1 BB55-3807 [0,1,0,0,0,0|2,0,1]=4 24 B9R1.35 NC1=NNC(C(=O)O)=N1 BB53-2042 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.35 O=C(O)C1=NC(Cl)=NN1 BB53-2032 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.35 O=C1NC=C(C(=O)O)N1 BB26-0164 [0,1,0,0,0,0|2,0,0]=3 27 B9R1.35 O=C1NN=C(C(=O)O)N1 BB12-3315 [0,1,0,0,0,0|3,0,0]=4 28 B9R1.41 CC(C)C1=C(Br)C=NN1 BB12-3685 [0,1,0,0,0,0|2,0,1]=4 29 B9R1.41 CC1=C(C(=O)O)N=CN1 BB12-2055 [0,1,0,0,0,0|2,0,1]=4 30 B9R1.41 CC1=C(C(=O)O)N=CS1 BB26-0189 [0,1,0,0,0,0|2,0,1]=4 31 B9R1.41 CC1=C(C(=O)O)NN=N1 BB11-0155 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.41 CC1=C(C(=O)O)SC=N1 BB12-3519 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.41 NC1=C(C(=O)O)NN=C1 BB55-4193 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.41 NC1=C(C(=O)O)SC=C1 BB53-1404 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.41 O=C(O)C1=C(Br)C=NN1 BB55-3823 [0,1,0,0,0,0|2,0,0]=3 36 B9R1.41 O=C(O)C1=C(Cl)C=NN1 BB56-2893 [0,1,0,0,0,0|2,0,0]=3 37 B9R1.41 O=[N+]([O-])C1=C(Br)C=CS1 BB20-4586 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.6 NC(=S)C1=CC=NC=C1 BB12-3482 [0,0,0,0,0,1|2,1,0]=4 39 B9R1.6 NC(=S)C1=CN=CC=C1 BB12-3483 [0,0,0,0,0,1|1,1,1]=4 40 B9R1.6 NC(=S)C1=NC=CC=N1 BB12-3525 [0,0,0,0,0,1|1,1,1]=4 41 B9R1.6 NC(=S)C1=NC=CN=C1 BB12-3484 [0,0,0,0,0,1|1,1,1]=4 42 B9R1.13 CC(=O)CC1=CC=CS1 BB12-3710 [0,0,0,0,0,1|1,0,0]=2 43 B9R1.13 CC(C)CC1=NC=CN1 BB12-2831 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.13 CN(C)CC1=CC=CN1 BB12-1785 [0,0,0,0,0,1|2,0,0]=3 45 B9R1.13 N=C(N)CC1=CC=CS1 BB12-3709 [0,0,0,0,0,1|3,0,0]=4 46 B6R1.2 CC1=CC=NN1 BB56-1939 [2,0,0,0,0,0|1,0,0]=3 47 B6R1.2 CC1=NC=CS1 BB20-4630 [2,0,0,0,0,0|1,0,1]=4 48 B8R1.1 CC1=CC(C=O)=NN1 BB12-3191 [1,1,0,0,0,0|1,0,1]=4 49 B8R1.1 CCC1=CC(O)=NN1 BB12-3505 [1,1,0,0,0,0|1,0,1]=4 50 B8R1.8 NCCC1=CC=CO1 BB01-5388 [1,1,0,0,0,0|1,0,1]=4 51 B8R1.11 CC1=C(C=O)NC=N1 BB12-3119 [1,1,0,0,0,0|1,0,0]=3 52 B8R1.11 CN1C=CC=C1CO BB90-0093 [1,1,0,0,0,0|0,0,2]=4 53 B8R1.11 CN1N=CC=C1C=O BB55-3814 [1,1,0,0,0,0|1,0,0]=3 54 B8R1.11 CSC1=NC=CN1C BB26-0699 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB17-2376 [0,1,0,0,0,1|1,0,0]=3 56 B10R1.13 NC(=O)C1=CC=C(N)N=N1 BB01-7655 [0,1,0,0,0,1|1,0,1]=4 57 B10R1.13 NC(=O)C1=NNC(=O)C=C1 BB10-0123 [0,1,0,0,0,1|1,0,0]=3 58 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BB01-7654 [0,1,0,0,0,1|1,0,1]=4 59 B10R1.13 O=C(Cl)C1=NN=C(Cl)C=C1 BB10-0141 [0,1,0,0,0,1|1,0,1]=4 60 B10R1.13 O=C(O)C1=CC=C(O)C=N1 BB56-1848 [0,1,0,0,0,1|1,0,1]=4 61 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB26-0398 [0,1,0,0,0,1|2,0,0]=4 62 B10R1.13 O=C1C=CC(C(=O)O)=NN1 BB12-2030 [0,1,0,0,0,1|1,0,0]=3 63 B10R1.15 CC(C=O)C1=CC=CC=C1 BB17-2274 [0,1,0,0,0,1|1,0,1]=4 64 B10R1.15 CCC(=O)C1=NC=CC=C1 BB12-2185 [0,1,0,0,0,1|0,0,1]=3 65 B10R1.15 COC(=N)C1=NC=CN=C1 BB12-1722 [0,1,0,0,0,1|1,0,1]=4 66 B10R1.15 COC(=O)C1=CC=NC=C1 BB20-4674 [0,1,0,0,0,1|1,0,0]=3 67 B10R1.15 NCC(=O)C1=CC=CC=C1 BB26-0680 [0,1,0,0,0,1|1,0,0]=3 68 B10R1.15 NNC(=O)C1=CC=CC=C1 BB20-4243 [0,1,0,0,0,1|2,0,0]=4 69 B10R1.61 N=C(N)C1=CC=CNC1=O BB53-1630 [0,1,0,0,0,1|2,0,0]=4 70 B10R1.61 NC1=C(C(=O)O)C=CN=C1 BB12-1728 [0,1,0,0,0,1|2,0,0]=4 71 B10R1.61 O=C(Cl)C1=C(Cl)N=CC=C1 BB12-3503 [0,1,0,0,0,1|1,0,1]=4 72 B10R1.61 O=C(O)C1=CN=CNC1=O BB10-0517 [0,1,0,0,0,1|2,0,0]=4 73 B10R1.61 O=C1NC=CC=C1[N+](=O)[O-] BB12-2804 [0,1,0,0,0,1|2,0,0]=4 74 B10R1.113 NC(=O)C1=NC=CC(Cl)=C1 BB20-4612 [0,1,0,0,0,1|1,0,1]=4 75 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB17-0499 [0,1,0,0,0,1|1,0,1]=4 76 B10R1.23 NC(C(=O)O)C1=CC=CS1 BB56-0352 [0,1,0,0,0,1|2,0,0]=4 77 B10R1.27 C\C(C=O)=C/C1=CC=CO1 BB17-1881 [0,1,0,0,0,1|1,0,0]=3 78 B10R1.27 O=C(CCl)NC1=NC=NN1 BB10-1162 [0,1,0,0,0,1|2,0,0]=4 79 B10R1.54 CC1=CC=C(CC(=O)O)S1 BB56-0024 [0,1,0,0,0,1|2,0,0]=4 80 B10R1.54 O=C(O)CC1=CC=C(Cl)S1 BB56-1329 [0,1,0,0,0,1|2,0,0]=4 81 B10R1.11 CCOC(=O)C1=CNC=N1 BB01-7910 [0,2,0,0,0,0|1,0,1]=4 82 B10R1.14 COC(=O)C1=CC(N)=NN1 BB55-4201 [0,2,0,0,0,0|1,0,0]=3 83 B10R1.149 CN1C=CC=C1\C(N)=N/O BB12-3493 [0,2,0,0,0,0|1,0,1]=4 84 B10R1.149 CNC(=O)C1=C(N)C=CS1 BB53-1658 [0,2,0,0,0,0|1,0,0]=3 85 B10R1.149 COC(=O)C1=C(Br)C=CS1 BB20-4653 [0,2,0,0,0,0|1,0,0]=3 86 B10R1.149 COC(=O)C1=C(C)N=CN1 BB12-3127 [0,2,0,0,0,0|1,0,0]=3 87 B10R1.149 COC(=O)C1=C(N)C=NN1 BB55-4202 [0,2,0,0,0,0|1,0,0]=3 88 B10R1.149 COC(=O)C1=C(N)C=NN1 BB56-2472 [0,2,0,0,0,0|1,0,0]=3 89 B10R1.59 CC(=O)C1=C(C)SC(C)=N1 BB12-3985 [0,2,0,0,0,0|1,0,1]=4 90 B10R1.39 CCC1=C(C(=O)O)NC=N1 BB90-0012 [0,2,0,0,0,0|2,0,0]=4 91 B10R1.39 CCN1N=CC=C1C(=O)Cl BB55-3860 [0,2,0,0,0,0|2,0,0]=4 92 B10R1.192 CC(=O)C1=C(C)OC=C1C BB17-2351 [0,2,0,0,0,0|2,0,0]=4 93 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl BB55-4163 [0,2,0,0,0,0|2,0,0]=4 94 B10R1.192 CN1N=CC(Br)=C1C(=O)O BB55-3833 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.192 CN1N=CC(Cl)=C1C(=O)O BB12-1894 [0,2,0,0,0,0|2,0,0]=4 96 B10R1.192 CN1N=CC(I)=C1C(=O)O BB12-1893 [0,2,0,0,0,0|2,0,0]=4 97 B10R1.192 CN1N=CC(N)=C1C(N)=O BB55-3929 [0,2,0,0,0,0|2,0,0]=4 98 B8R1.4 NC1=NC(Br)=CC=C1 BB20-4632 [0,0,1,1,0,0|2,0,0]=4 99 B8R1.5 CC1=NC=CC=C1O BB17-0195 [0,0,1,1,0,0|2,0,0]=4 100 B8R1.5 NC1=C(O)N=CC=C1 BB12-2900 [0,0,1,1,0,0|1,0,1]=4 101 B8R1.5 O=C1NC=CNC1=O BB10-0274 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.18 CC(=O)NC1=CC=CN=C1 BB12-1692 [0,0,0,0,0,2|0,0,1]=3 103 B10R1.66 CC(=O)\C=C\C1=CC=CO1 BB12-2961 [0,0,0,0,0,2|1,0,0]=3