0 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.61 CC1=CC=CN=C1C(=N)N ACI-02503 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 CC1=NC=CN=C1C(=O)O ACI-02629 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S WS-04C-008 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,0,0,0,0,0|2,1,0]=4 21 B9R1.15 CC1=CC=CN=C1NN ACI-01436 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 COC1=CC=CN=C1Br ACI-01447 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 O=CC1=CC=CN=C1Br WS-02K-001 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 O=CC1=CC=CN=C1Cl WS-02I-001 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.53 CCC1=CC=CC=C1C(=O)Cl FD-10K-001 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.53 CCC1=CC=CC=C1C(N)=O ACI-05454 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.53 COC1=CC=CC=C1C(C)=O ACI-05712 [0,1,0,0,0,0|2,0,0]=3 28 B11R1.53 COC1=NC=CC=C1C(=O)O WS-05C-008 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.53 CSC1=NC=CC=C1C(=O)O ACI-01817 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.53 O=C(Cl)C1=CC=CC=C1CCl ACI-01786 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.53 O=[N+]([O-])C1=CC=CN=C1CBr ACI-05180 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.156 CC1=C(C(=O)Cl)C(Cl)=NC=C1 WS-04B-006 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.156 CC1=C(C(=O)O)C(Br)=NC=C1 WS-04F-001 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.156 CC1=C(C(=O)O)C(Cl)=NC=C1 ACI-00846 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.156 CC1=C(C(=O)O)C(O)=NC=C1 ACI-01234 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.156 CC1=C(C(N)=O)C(Cl)=NC=C1 ACI-05383 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.156 CC1=NC=NC(C)=C1C(=O)O ACI-01347 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.166 CC(=O)C1=CN=C(N)N=C1C ACI-00090 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.166 CC(=O)N1N=CC(=O)NC1=O JM-11K-001 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.166 CC1=C(C(=O)Cl)C=CC(Br)=C1 ACI-03965 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 ACI-03955 [0,1,0,0,0,0|3,0,0]=4 42 B11R1.166 CC1=CC=C(C(N)=O)C(Cl)=N1 ACI-05353 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.166 CC1=CN=C(C(N)=O)C(N)=C1 WS-03K-001 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.166 O=C(O)C1=C(O)N=C(O)N=N1 ACI-01802 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.166 O=C(O)C1=CC=C(O)N=C1Cl ACI-00424 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.167 NC(=O)C1=CC(Br)=CN=C1Cl ACI-05394 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.167 NC(=O)C1=CC(Cl)=CN=C1Cl ACI-05358 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.167 NC1=C(C(=O)O)C=C(Br)C=N1 ACI-00984 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.167 NC1=NC=C(Br)C=C1C(=O)O WS-02D-005 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.167 NC1=NC=C(I)C=C1C(=O)O WS-02E-004 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.167 O=C(Cl)C1=CC(Br)=CN=C1Cl WS-02E-092 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.167 O=C(Cl)C1=CC(Cl)=CN=C1Cl ACI-00222 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.167 O=C(O)C1=CC(Br)=CN=C1Cl WS-02E-001 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.167 O=C(O)C1=CC(Br)=CN=C1O ACI-00110 [0,1,0,0,0,0|3,0,0]=4 55 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1Cl ACI-00301 [0,1,0,0,0,0|3,0,0]=4 56 B11R1.167 O=C(O)C1=CC(Cl)=CN=C1O WS-01E-001 [0,1,0,0,0,0|3,0,0]=4 57 B11R1.167 O=C(O)C1=CC(F)=CN=C1Cl ACI-00426 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.222 CC1=CC=CN=C1\C(N)=N\O ACI-02271 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.41 CC(C)C1=NC=CN1C RH-08B-001 [0,0,0,0,1,0|2,0,1]=4 65 B9R1.41 CC1=C(C(=O)Cl)C=CO1 RH-11J-001 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.41 CC1=C(C(=O)Cl)C=NO1 ACI-NI-00036 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.41 CC1=C(C(=O)Cl)SN=N1 ACI-00609 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.41 CC1=C(C(=O)O)C=NO1 ACI-NI-00035 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.41 CC1=C(C(=O)O)ON=C1 JL-14G-002 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.41 CC1=C(C(=O)O)SN=C1 ACI-NI-00744 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.41 CC1=C(C(=O)O)SN=N1 ACI-NI-00033 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.41 CC1=C(C(N)=O)C=CO1 RH-11A-003 [0,0,0,0,1,0|2,0,0]=3 73 B9R1.41 CC1=C(C(N)=O)C=NO1 ACI-05350 [0,0,0,0,1,0|3,0,0]=4 74 B9R1.41 CC1=C(C(N)=O)OC=C1 JM-11A-005 [0,0,0,0,1,0|2,0,0]=3 75 B9R1.41 CC1=C(C(N)=O)SN=N1 ACI-00611 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.41 CC1=NSC=C1C(=O)O ACI-00941 [0,0,0,0,1,0|2,0,0]=3 77 B9R1.41 CC1=NSC=C1[N+](=O)[O-] ACI-00525 [0,0,0,0,1,0|3,0,0]=4 78 B9R1.41 CN1N=CC=C1C(=O)O ACI-02720 [0,0,0,0,1,0|2,0,0]=3 79 B9R1.41 O=C(O)C1=C(Br)C=CS1 ACI-00956 [0,0,0,0,1,0|3,0,0]=4 80 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,0,0,0,0,1|2,0,0]=3 81 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,0,0,0,0,1|3,0,0]=4 82 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [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=CC=C(Cl)N=C1 ACI-00319 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.15 N=C(NN)C1=NC=CN=C1 ACI-02721 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 CC1=CN=CC(C(=O)O)=N1 ACI-02630 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.20 C=CC1=NC=CC=C1C=O ACI-01425 [1,1,0,0,0,0|1,0,1]=4 111 B10R1.20 O=CC1=CC=CC=C1CBr ACI-05244 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.30 O=CC1=CC(Br)=CN=C1Cl WS-02G-001 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.30 O=CC1=CC(Cl)=CN=C1Cl ACI-00225 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.59 CC1=C(C(=O)O)SC(N)=N1 ACI-00579 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.59 CC1=C(C(N)=O)SC(Cl)=N1 ACI-05372 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 ACI-00246 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.59 CC1=NN(C)C(C(=O)Cl)=C1 ACI-NI-00045 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.59 CC1=NN(C)C(C(=O)O)=C1 ACI-NI-00044 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.59 CC1=NN(C)C(C(N)=O)=C1 ACI-05352 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.149 COC(=O)C1=C(C)N=NS1 RJC-06A-012 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.192 CC1=NOC(C)=C1C(=O)Cl ACI-01822 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.192 CC1=NOC(C)=C1C(=O)O ACI-01821 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.192 CC1=NOC(C)=C1C(N)=O ACI-05413 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.192 CC1=NSC(Br)=C1C(=O)O ACI-NI-00750 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.192 CC1=NSC(N)=C1C(N)=O ACI-01497 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.192 CN1N=CC(N)=C1C(N)=O ACI-06414 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.3441 COC(=O)C1=C(C)N=CN=C1C ACI-01343 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 ACI-04831 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=N1 ACI-04828 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F ACI-00472 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 ACI-03786 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.354 COC(=O)C1=CC(Br)=CN=C1C ACI-06404 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl ACI-00874 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O ACI-00875 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1Cl ACI-01387 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.354 COC(=O)C1=CC(I)=CN=C1Cl ACI-01377 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.354 COC(=O)C1=CC(I)=CN=C1O ACI-01006 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.453 CCC1=CN=C(C)C(C(=O)O)=C1 ACI-01398 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl ACI-01386 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.308 CCOC(=O)C1=CC=CN=C1N ACI-04974 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl ACI-00519 [0,2,0,0,0,0|1,0,0]=3 146 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|2,0,0]=4 147 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,1,0,0|2,0,0]=4 148 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,1,0|1,0,0]=3 150 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,1,0|2,0,0]=4 151 B8R1.7 NC(=O)C1=CC=NO1 ACI-05366 [1,0,0,0,1,0|2,0,0]=4 152 B8R1.7 NC(=O)C1=CC=NS1 ACI-05371 [1,0,0,0,1,0|2,0,0]=4 153 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.7 NC(=O)C1=NC=CS1 ACI-05426 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.7 O=C(Cl)C1=CC=NO1 ACI-00386 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.7 O=C(Cl)C1=NC=CS1 ACI-02388 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.7 O=C(O)C1=CC=NO1 ACI-02588 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.7 O=C(O)C1=NC=CS1 ACI-02389 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.7 O=C(O)C1=NNC=C1 ACI-02623 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.7 O=C(O)C1=NOC=C1 ACI-05095 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.7 O=C(O)C1=NSC=C1 ACI-NI-00755 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.11 CC1=C(C=O)SN=C1 ACI-NI-00746 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.11 CC1=C(C=O)SN=N1 ACI-00610 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.11 CN1N=CC=C1C=O ACI-00851 [1,0,0,0,1,0|1,0,0]=3 168 B8R1.11 O=CC1=C(Br)C=CS1 ACI-00955 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.11 O=CC1=C(Br)SC=C1 ACI-01273 [1,0,0,0,1,0|2,0,0]=4