0 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.113 CC1=CC(C(=N)N)=CC=N1 ACI-02507 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 CC1=NC(C(=N)N)=CC=C1 ACI-00468 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 ACI-NI-00208 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [0,0,0,0,0,0|3,0,0]=3 19 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.2 CC1=NC=CC(C#N)=C1 ACI-02494 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.2 N#CC1=CC=NC(Cl)=N1 ACI-01101 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.2 O=CC1=CC(Cl)=NC=C1 ACI-00432 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.2 O=CC1=NC(Br)=CC=C1 TB-05D-001 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,0,0,0,0,0|2,1,0]=4 27 B11R1.21 CC(=O)C1=CC=C(N)C(N)=C1 JM-11E-001 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.21 CC1=C(Br)C=CC(C(=O)Cl)=C1 ACI-03963 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 ACI-03954 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.21 CC1=C(C)C=C(C(N)=O)C=C1 ACI-03953 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.23 CC1=CC=CC(\C(N)=N\O)=N1 ACI-02489 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.23 CC1=NC=CC(\C(N)=N\O)=C1 ACI-02493 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 ACI-NI-00398 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 ACI-05360 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 ACI-00299 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 ACI-01834 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.167 NC1=C(C(=O)O)C=C(F)N=C1 ACI-06269 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O JM-04I-008 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.266 COC1=CC(C(C)=O)=NC=C1 ACI-00419 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.266 NC(=O)C1=CC(CCl)=CC=C1 ACI-00304 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.266 O=C(Cl)C1=CC=CC(CCl)=C1 ACI-01623 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.35 CC(=O)C1=CC(C)=NS1 ACI-NI-00751 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.35 CC1=CSC(C(=O)Cl)=C1 RH-06B-005 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.35 CC1=CSC(C(N)=O)=C1 ACI-05409 [0,0,0,0,1,0|3,0,0]=4 49 B9R1.35 CC1=NC(C(=N)N)=CS1 ACI-00242 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.35 CC1=NC(C(=O)O)=CN1 ACI-04659 [0,0,0,0,1,0|1,0,1]=3 51 B9R1.35 CC1=NC(C(N)=S)=CS1 ACI-00324 [0,0,0,0,1,0|2,1,0]=4 52 B9R1.35 CC1=NNC(C(=O)O)=C1 ACI-00028 [0,0,0,0,1,0|3,0,0]=4 53 B9R1.35 CC1=NOC(C(=O)O)=C1 ACI-00513 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.35 CC1=NSC(C(=O)O)=C1 ACI-00537 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.35 CN1C=CC(C(=O)Cl)=N1 RH-07B-006 [0,0,0,0,1,0|2,0,0]=3 56 B9R1.35 CN1C=CC(C(=O)O)=N1 ACI-01991 [0,0,0,0,1,0|2,0,0]=3 57 B9R1.35 CN1C=CC(C(N)=O)=N1 ACI-05417 [0,0,0,0,1,0|2,0,0]=3 58 B9R1.35 NC(=O)C1=CC=C(Br)O1 ACI-05421 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.35 NC(=O)C1=CN=C(Cl)S1 ACI-05438 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.35 NC1=NC(C(=O)O)=CS1 ACI-00577 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 ACI-02130 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.35 O=C(O)C1=CC=C(Br)O1 ACI-04649 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.35 O=C(O)C1=CSC(Br)=N1 ACI-00578 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ACI-NI-00036 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.41 CC1=C(C(=O)Cl)SN=N1 ACI-00609 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.41 CC1=C(C(=O)O)C=NO1 ACI-NI-00035 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.41 CC1=C(C(=O)O)SN=N1 ACI-NI-00033 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,0,0,0,1,0|2,0,0]=3 70 B9R1.41 CC1=C(C(N)=O)C=NO1 ACI-05350 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.41 CC1=C(C(N)=O)SN=N1 ACI-00611 [0,0,0,0,1,0|3,0,0]=4 73 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.41 CC1=NSC=C1[N+](=O)[O-] ACI-00525 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,0,0,0,1,0|2,0,0]=3 76 B8R1.4 CC1=CC(F)=NC=C1 ACI-00433 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.4 CC1=NC(I)=CC=C1 FD-10L-002 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.4 CC1=NC(N)=CC=N1 ACI-03853 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.4 CC1=NC(N)=NC=C1 ACI-01353 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.4 CC1=NC(O)=NC=C1 ACI-01352 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.4 CC1=NC(S)=NC=C1 ACI-01351 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.4 CC1=NC(S)=NC=C1 ACI-03785 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.8 CSC1=NC(C)=NC(N)=N1 ACI-00042 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.172 N#CC1=CC=CC(C=O)=N1 ACI-04983 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.172 O=CC1=CC=CC(CBr)=C1 ACI-03882 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.14 COC(=O)C1=CC(C)=NN1 ACI-00027 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.14 COC(=O)C1=CN=C(C)S1 ACI-01275 [0,1,0,0,1,0|1,0,0]=3 105 B10R1.14 COC(=O)C1=COC(C)=N1 ACI-02460 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.31 CCC1=NC(C(=O)O)=CN1 ACI-04660 [0,1,0,0,1,0|1,0,1]=4 107 B10R1.58 CC1=CC(C(=O)Cl)=NN1C ACI-NI-00042 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.58 CC1=CC(C(=O)O)=NN1C ACI-NI-00041 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.58 CC1=CC(C(N)=O)=NN1C ACI-05351 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.149 COC(=O)C1=C(C)N=NS1 RJC-06A-012 [0,1,0,0,1,0|2,0,0]=4 112 B10R1.192 CC1=NOC(C)=C1C(=O)Cl ACI-01822 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.192 CC1=NOC(C)=C1C(=O)O ACI-01821 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.192 CC1=NOC(C)=C1C(N)=O ACI-05413 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.192 CC1=NSC(Br)=C1C(=O)O ACI-NI-00750 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.192 CC1=NSC(N)=C1C(N)=O ACI-01497 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.192 CN1N=CC(N)=C1C(N)=O ACI-06414 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 JM-08G-001 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.48 CC(=O)C1=CC=C(C#N)C(S)=N1 ACI-00401 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.367 CC1=C(Cl)C=CC(C(=O)CBr)=C1 JL-10G-002 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.367 CC1=CC(C(=O)CBr)=CC=C1F SB-07D-001 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 ACI-04970 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 ACI-01380 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [0,2,0,0,0,0|2,0,0]=4 125 B12R1.453 CSC1=NC(C(=O)O)=C(Cl)C=N1 ACI-02633 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.1 CC1=NC(C=O)=CO1 SB-08H-004 [1,0,0,0,1,0|1,0,0]=3 127 B8R1.1 CC1=NC=C(C=O)S1 ACI-00574 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.1 CC1=NOC(C=O)=C1 RH-06C-002 [1,0,0,0,1,0|2,0,0]=4 129 B8R1.1 CC1=NSC(C=O)=C1 ACI-NI-00725 [1,0,0,0,1,0|2,0,0]=4 130 B8R1.1 CN1C=C(C=O)C=N1 ACI-01990 [1,0,0,0,1,0|2,0,0]=4 131 B8R1.11 CC1=C(C=O)SN=N1 ACI-00610 [1,0,0,0,1,0|2,0,0]=4 132 B8R1.11 CN1N=CC=C1C=O ACI-00851 [1,0,0,0,1,0|1,0,0]=3 133 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [1,0,0,0,1,0|2,0,0]=4 134 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,1,0|0,0,1]=3 135 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,1,0|2,0,0]=4 136 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,0,0,0,1,0|2,0,0]=4 137 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,1,0|2,0,0]=4 139 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,1,0|2,0,0]=4 140 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,0,0,0,1,0|2,0,0]=4 141 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,0,0,0,1,0|2,0,0]=4 142 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,1,0|2,0,0]=4 143 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,1,0|2,0,0]=4 144 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,0,0,0,1,0|2,0,0]=4 145 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,0,0,0,1,0|2,0,0]=4 146 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,0,0,0,1,0|2,0,0]=4 147 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,0,0,0,1,0|1,0,1]=4 148 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,0,0,0,1,0|2,0,0]=4 149 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,0,0,0,1,0|2,0,0]=4