0 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 N\C(=N/O)C1=CC=CC=C1 ACI-00072 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.15 N\C(=N/O)C1=CC=CC=N1 ACI-NI-00264 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.15 N\C(=N/O)C1=CC=CN=C1 ACI-00002 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.15 N\C(=N\O)C1=CC=NC=C1 ACI-NI-00268 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.15 O=C(CBr)C1=CC=CN=C1 ACI-NI-00021 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 O=C(CBr)C1=CC=NC=C1 ACI-NI-00022 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 O=C(CBr)C1=NC=CC=C1 ACI-NI-00023 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 O=C(NO)C1=CC=CC=C1 ACI-01576 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.15 O\N=C(/Cl)C1=CC=CC=C1 RH-11K-001 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [1,0,0,0,0,0|2,1,0]=4 15 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.12 C(C#N)(NC)C1=CC=CC=C1 ACI-NI-00463 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.12 N#C\C(=C/O)C1=CC=CC=C1 ACI-04944 [0,1,0,0,0,0|1,0,2]=4 19 B11R1.22 COC(=N)C1=CC=C(C)C=C1 ACI-01594 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.22 COC(=O)C1=CC=C(C)N=C1 ACI-01120 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.22 COC(=O)C1=CC=C(Cl)C=N1 ACI-04825 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.22 COC(=O)C1=CC=C(N)N=C1 SB-07E-003 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.22 COC(=O)C1=NC=C(O)C=C1 JM-05D-002 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 ACI-01724 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.22 NNC(=O)C1=CC=C(Cl)N=C1 ACI-02020 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.22 N\C(=N/O)C1=CC=C(Br)C=C1 ACI-NI-00220 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 ACI-01635 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.22 N\C(=N/O)C1=CC=C(F)C=C1 ACI-NI-00229 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.22 O=C(CBr)C1=CC=C(F)C=C1 ACI-00490 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.22 O\N=C(/Cl)C1=CC=C(Cl)C=C1 ACI-NI-00061 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.23 CC1=CC=CC(\C(N)=N\O)=C1 ACI-00825 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.23 CCC(=O)C1=NC(C)=CC=C1 ACI-05706 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.23 COC(=O)C1=CC(F)=CN=C1 RJC-04K-001 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.23 NCC(=O)C1=CC(Cl)=CC=C1 SB-05H-089 [0,1,0,0,0,0|1,0,0]=2 35 B11R1.23 NNC(=O)C1=CC(Br)=CC=C1 ACI-01721 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 ACI-01728 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.23 N\C(=N/O)C1=CC=CC(Br)=C1 ACI-NI-00223 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.23 N\C(=N/O)C1=CC=CC(Cl)=C1 ACI-NI-00235 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.23 N\C(=N/O)C1=CC=CC(F)=C1 ACI-NI-00232 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 ACI-01709 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 ACI-01713 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.222 CCC(=O)C1=CC=CC=C1Br ACI-04019 [0,1,0,0,0,0|0,0,0]=1 43 B11R1.222 CCC(=O)C1=CC=CC=C1Cl ACI-04018 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 ACI-NI-00119 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.222 COC(=O)C1=C(N)C=NC=C1 SB-05G-001 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.222 COC(=O)C1=CC=CN=C1Br ACI-01378 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.222 COC(=O)C1=CC=CN=C1Cl ACI-01376 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.222 COC(=O)C1=CC=CN=C1O JM-04F-050 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.222 NNC(=O)C1=CC=CC=C1Br ACI-01722 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.222 NNC(=O)C1=CC=CC=C1F ACI-01726 [0,1,0,0,0,0|2,0,0]=3 51 B11R2.1 BrC1=CSC2=C1C=CC=C2 ACI-00699 [0,0,0,1,0,0|2,0,1]=4 52 B11R2.1 CC1=COC2=C1C=CC=C2 ACI-01521 [0,0,0,1,0,0|2,0,1]=4 53 B11R2.1 CC1=CSC2=C1C=CC=C2 ACI-02476 [0,0,0,1,0,0|2,0,1]=4 54 B11R2.1 CN1CCC2=CC=CC=C21 JM-06J-001 [0,0,0,1,0,0|2,0,0]=3 55 B11R2.1 NC1=NNC2=C1C=CC=C2 ACI-NI-00387 [0,0,0,1,0,0|3,0,0]=4 56 B11R2.1 OC1=NOC2=C1C=CC=C2 ACI-00380 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.11 COC(=N)C1=CC=CS1 WS-04A-006 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.11 COC(=O)C1=CNC=C1 ACI-05835 [0,0,0,0,1,0|2,0,0]=3 59 B9R1.11 O=C(CBr)C1=CC=CS1 ACI-01812 [0,0,0,0,1,0|2,0,0]=3 60 B9R1.11 O=C(CBr)C1=CSC=C1 ACI-05846 [0,0,0,0,1,0|2,0,0]=3 61 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,0,0,0,0,1|1,0,0]=2 63 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,0,0,0,0,1|1,0,0]=2 64 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 ACI-NI-00400 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.13 CC1=CC=C(C(N)=O)C=N1 ACI-NI-00764 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.13 CC1=CN=C(C(=O)O)C=C1 RH-05J-001 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.13 NC(=O)C1=CC=C(Cl)N=C1 ACI-05362 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.13 NC(=O)C1=CC=C(F)N=C1 ACI-05369 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 ACI-05390 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.13 NC(=O)C1=NC=C(F)C=C1 ACI-05447 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [1,1,0,0,0,0|1,1,0]=4 78 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [1,1,0,0,0,0|1,1,0]=4 79 B10R1.13 O=C(Cl)C1=CC=C(Cl)N=C1 ACI-00319 [1,1,0,0,0,0|2,0,0]=4 80 B10R1.13 O=C(Cl)C1=CN=C(F)C=C1 ACI-00437 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.13 O=C(Cl)C1=NC=C(Br)C=C1 ACI-01622 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.13 O=C(Cl)C1=NC=C(F)C=C1 ACI-03847 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.13 O=C(O)C1=CC=C(I)N=C1 ACI-05589 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.13 O=C(O)C1=CN=C(F)C=C1 ACI-00439 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 ACI-01682 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.61 CC1=C(C(N)=O)C=NC=C1 JM-11J-002 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.61 CC1=CC=CN=C1C(N)=O ACI-01402 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.61 NC(=O)C1=C(Cl)C=CC=N1 ACI-05458 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.61 NC(=O)C1=CC=CN=C1Cl ACI-05357 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.61 NC(=O)C1=CC=CN=C1F ACI-05446 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.61 NC(=O)C1=CC=NC=C1F ACI-05445 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.61 NC(=O)C1=NC=CC=C1F ACI-05448 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [1,1,0,0,0,0|1,1,0]=4 98 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [1,1,0,0,0,0|1,1,0]=4 99 B10R1.61 NC1=C(C(=O)O)C=CN=C1 ACI-00348 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.61 NC1=NC=CC=C1C(=O)O ACI-04973 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.61 O=C(Cl)C1=CC=CC=C1Br ACI-01723 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.61 O=C(Cl)C1=CC=CN=C1Cl ACI-NI-00466 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.61 O=C(Cl)C1=CC=CN=C1F ACI-03845 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.61 O=C(Cl)C1=CC=NC=C1F ACI-03843 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.61 O=C(Cl)C1=NC=CC=C1Cl ACI-04861 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.61 O=C(Cl)C1=NC=CC=C1F ACI-03849 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.61 O=C(O)C1=C(Cl)C=CN=C1 ACI-00044 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.61 O=C(O)C1=CC=CN=C1O ACI-01430 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 CC(=O)C1=CC=NC(N)=N1 ACI-05038 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 WS-05F-004 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.113 CC(=O)C1=NC=CC(Br)=C1 ACI-04001 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 ACI-00417 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 ACI-00462 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 ACI-05361 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.113 NC(=O)C1=CC(F)=NC=C1 ACI-05368 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.113 NC(=O)C1=NC(F)=CC=C1 ACI-05444 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [1,1,0,0,0,0|1,1,0]=4 122 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [1,1,0,0,0,0|1,1,0]=4 123 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [1,1,0,0,0,0|1,1,0]=4 124 B10R1.113 NC1=NC(C(=O)O)=CC=C1 ACI-04969 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.113 O=C(Cl)C1=CC(Cl)=NC=C1 ACI-00306 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 ACI-03964 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.113 O=C(Cl)C1=CC(F)=CN=C1 ACI-05622 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.113 O=C(Cl)C1=CC(F)=NC=C1 ACI-00434 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.113 O=C(Cl)C1=NC(F)=CC=C1 ACI-03839 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 ACI-00312 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.113 O=C(O)C1=CC(F)=NC=C1 ACI-00436 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.113 O=C(O)C1=NC(F)=CC=C1 ACI-02728 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 O\N=C\C1=CC=C(Cl)C=C1 FD-09D-001 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|1,0,1]=4 138 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|1,0,0]=3 139 B10R1.11 CCOC(=N)C1=CC=CS1 ACI-00584 [0,1,0,0,1,0|2,0,0]=4 140 B10R1.11 CCOC(=O)C1=CC=CN1 ACI-00655 [0,1,0,0,1,0|1,0,0]=3 141 B10R1.11 CCOC(=O)C1=CC=NN1 WS-04J-001 [0,1,0,0,1,0|2,0,0]=4 142 B10R1.11 CCOC(=O)C1=CN=CS1 ACI-00692 [0,1,0,0,1,0|2,0,0]=4 143 B10R1.11 N#CCC(=O)C1=CC=CN1 ACI-01087 [0,1,0,0,1,0|1,0,1]=4 144 B10R1.14 COC(=O)C1=CC(Br)=CN1 ACI-00657 [0,1,0,0,1,0|2,0,0]=4 145 B10R1.14 COC(=O)C1=CC=C(Br)S1 ACI-02359 [0,1,0,0,1,0|2,0,0]=4 146 B10R1.14 COC(=O)C1=CNC(Br)=C1 ACI-05836 [0,1,0,0,1,0|2,0,0]=4 147 B10R1.149 COC(=O)C1=C(O)C=CS1 ACI-00880 [0,1,0,0,1,0|2,0,0]=4 148 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-001 [0,1,0,0,1,0|2,0,0]=4 149 B10R1.149 COC(=O)C1=CSC=C1N JL-11K-003 [0,1,0,0,1,0|2,0,0]=4 150 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 SB-10B-011 [0,1,0,0,0,1|1,0,1]=4 151 B12R1.49 O=C(CBr)NC1=CC=C(Cl)C=C1 WS-04E-003 [0,1,0,0,0,1|1,0,0]=3 152 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,1,0,0,0,1|1,0,0]=3 153 B12R1.39 O=S(=O)(CCO)C1=CC=CC=C1 ACI-02410 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1Br ACI-06024 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1F ACI-06030 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.195 CNS(=O)(=O)C1=CC=CC=C1I ACI-06025 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.16 CCOC(=N)C1=CC=C(Br)C=C1 ACI-01058 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 ACI-01059 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=C1 ACI-00479 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.16 CCOC(=O)C1=CC=C(Cl)N=N1 JL-11I-002 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.16 CCOC(=O)C1=CC=C(N)C=N1 ACI-03797 [0,2,0,0,0,0|1,0,0]=3 162 B12R1.16 CCOC(=O)C1=CC=C(N)N=C1 RH-05K-012 [0,2,0,0,0,0|1,0,0]=3 163 B12R1.16 CCOC(=O)C1=CC=C(O)N=N1 JL-11I-003 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.16 CCOC(=O)C1=CN=C(Cl)N=C1 ACI-NI-00399 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 ACI-01214 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.16 N#CCC(=O)C1=CC=C(Br)C=C1 ACI-01091 [0,2,0,0,0,0|0,0,1]=3 167 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 ACI-00486 [0,2,0,0,0,0|0,0,1]=3 168 B12R1.17 CCOC(=N)C1=CC(Br)=CC=C1 SB-10F-002 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.17 CCOC(=N)C1=CC(Cl)=CC=C1 ACI-01057 [0,2,0,0,0,0|1,0,0]=3 170 B12R1.17 CCOC(=O)C1=CC(Br)=CN=C1 ACI-02048 [0,2,0,0,0,0|1,0,0]=3 171 B12R1.17 CCOC(=O)C1=CC(N)=CN=C1 ACI-00473 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.17 CCOC(=O)C1=CC=CC(N)=N1 ACI-04970 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.17 CCOC(=O)C1=CN=NC(Cl)=C1 ACI-04741 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 ACI-01380 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.17 N#CCC(=O)C1=CC(Br)=CC=C1 ACI-01090 [0,2,0,0,0,0|0,0,1]=3 176 B12R1.30 N#CSCC(=O)C1=CC=CC=C1 ACI-01546 [0,2,0,0,0,0|0,0,1]=3 177 B12R1.308 CCOC(=O)C1=C(Cl)N=CN=C1 ACI-02683 [0,2,0,0,0,0|2,0,0]=4 178 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl ACI-01386 [0,2,0,0,0,0|1,0,0]=3 179 B12R1.308 CCOC(=O)C1=CC=CN=C1N ACI-04974 [0,2,0,0,0,0|1,0,0]=3 180 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl ACI-00519 [0,2,0,0,0,0|2,0,0]=4 181 B12R1.308 N#CCC(=O)C1=CC=CC=C1Cl ACI-01607 [0,2,0,0,0,0|0,0,1]=3 182 B12R1.308 N#CCC(=O)C1=CC=CC=C1F ACI-01088 [0,2,0,0,0,0|0,0,1]=3 183 B12R1.308 O=C(N=C=S)C1=CC=CC=C1Cl ACI-01608 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.308 O=CNC(=O)C1=CC=CC=C1O WS-02D-008 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 SB-05K-003 [0,2,0,0,0,0|1,0,0]=3 186 B12R1.5 COC(=O)C1=CC=C(CBr)N=C1 ACI-00476 [0,2,0,0,0,0|2,0,0]=4 187 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 ACI-05864 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 RH-06F-002 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 ACI-00325 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 ACI-04028 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 ACI-04024 [0,2,0,0,0,0|0,0,0]=2 192 B12R1.20 CC(Br)C(=O)C1=CC=C(F)C=C1 ACI-04023 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.367 CC1=C(Br)C=CC(C(=O)NN)=C1 ACI-01752 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.367 CC1=C(Cl)C=CC(C(=O)CBr)=C1 JL-10G-002 [0,2,0,0,0,0|1,0,0]=3 195 B12R1.367 CC1=CC(C(=O)CBr)=CC=C1F SB-07D-001 [0,2,0,0,0,0|1,0,0]=3 196 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 ACI-00135 [0,2,0,0,0,0|2,0,0]=4 197 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 RH-14B-002 [0,2,0,0,0,0|1,0,0]=3 198 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 RH-12K-001 [0,2,0,0,0,0|2,0,0]=4 199 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 ACI-01781 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 ACI-05637 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.367 COC(=O)C1=CC=C(O)C(N)=C1 ACI-03869 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.367 COC(=O)C1=CN=C(F)C(Cl)=C1 RH-12B-001 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.367 COC(=O)C1=CN=C(O)C(I)=C1 ACI-05549 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.367 NNC(=O)C1=CC(Br)=C(Cl)C=C1 ACI-01746 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.367 NNC(=O)C1=CC(Cl)=C(Br)C=C1 ACI-01749 [0,2,0,0,0,0|2,0,0]=4 206 B12R1.367 NNC(=O)C1=CC=C(F)C(F)=C1 ACI-01753 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Cl)=C1 ACI-01710 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.1703 CC1=CC=C(C(=O)NN)C(Br)=C1 ACI-01765 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.1703 CC1=CC=C(C(=O)NO)C(O)=C1 ACI-05693 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 RH-15H-001 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.1703 COC(=O)C1=C(Cl)C=C(Cl)C=N1 ACI-04831 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=N1 ACI-04828 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 SB-12E-001 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1F SB-05B-001 [0,2,0,0,0,0|1,0,0]=3 215 B12R1.1703 COC(=O)C1=CC=C(Br)C=C1O ACI-05682 [0,2,0,0,0,0|1,0,0]=3 216 B12R1.1703 COC(=O)C1=CC=C(C)C=C1O ACI-05673 [0,2,0,0,0,0|1,0,0]=3 217 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl ACI-00873 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.1703 COC(=O)C1=CC=C(F)C=C1O ACI-05670 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.1703 COC(=O)C1=CC=C(F)N=C1F ACI-00472 [0,2,0,0,0,0|2,0,0]=4 220 B12R1.1703 COC(=O)C1=CC=C(O)C=C1O ACI-05671 [0,2,0,0,0,0|1,0,0]=3 221 B12R1.1703 NNC(=O)C1=C(F)C=C(F)C=C1 ACI-01740 [0,2,0,0,0,0|2,0,0]=4 222 B12R1.1703 NNC(=O)C1=CC=C(Br)C=C1Cl ACI-01733 [0,2,0,0,0,0|2,0,0]=4 223 B12R1.1703 O=C(NO)C1=C(O)C=C(Cl)C=C1 SB-12E-002 [0,2,0,0,0,0|2,0,0]=4 224 B12R1.1703 O=C(NO)C1=CC=C(Br)C=C1O ACI-05702 [0,2,0,0,0,0|2,0,0]=4 225 B12R1.1703 O=C(NO)C1=CC=C(F)C=C1O ACI-05690 [0,2,0,0,0,0|2,0,0]=4 226 B12R1.1703 O=C(NO)C1=CC=C(O)C=C1O ACI-05691 [0,2,0,0,0,0|2,0,0]=4 227 B12R1.24 CC1=C(C(=O)NN)C=CC=C1I ACI-01768 [0,2,0,0,0,0|2,0,0]=4 228 B12R1.24 COC(=O)C1=C(O)C(N)=CC=C1 ACI-04221 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.24 COC(=O)C1=CC=CC(Cl)=C1O ACI-05675 [0,2,0,0,0,0|1,0,0]=3 230 B12R1.24 COC(=O)C1=CC=CC(F)=C1O ACI-05676 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.24 COC(=O)C1=CC=CC(O)=C1O ACI-05677 [0,2,0,0,0,0|1,0,0]=3 232 B12R1.24 NNC(=O)C1=C(F)C(F)=CC=C1 ACI-01758 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.24 NNC(=O)C1=CC=CC(Cl)=C1Cl ACI-01763 [0,2,0,0,0,0|2,0,0]=4 234 B12R1.24 O=C(NO)C1=CC=CC(Cl)=C1O ACI-05695 [0,2,0,0,0,0|2,0,0]=4 235 B12R1.24 O=C(NO)C1=CC=CC(F)=C1O ACI-05696 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.24 O=C(NO)C1=CC=CC(O)=C1O ACI-05697 [0,2,0,0,0,0|2,0,0]=4 237 B12R1.225 CC(Br)C(=O)C1=CC(Br)=CC=C1 ACI-04027 [0,2,0,0,0,0|0,0,0]=2 238 B12R1.225 CC(Br)C(=O)C1=CC(F)=CC=C1 ACI-04022 [0,2,0,0,0,0|0,0,0]=2 239 B12R1.225 CC1=CC=CC(C(=O)C(C)Br)=C1 ACI-04030 [0,2,0,0,0,0|0,0,0]=2 240 B12R1.354 CC1=CC=C(O)C(C(=O)NO)=C1 ACI-05701 [0,2,0,0,0,0|2,0,0]=4 241 B12R1.354 COC(=O)C1=C(C)C=CC(N)=C1 ACI-03786 [0,2,0,0,0,0|1,0,0]=3 242 B12R1.354 COC(=O)C1=CC(Br)=CN=C1C ACI-06404 [0,2,0,0,0,0|2,0,0]=4 243 B12R1.354 COC(=O)C1=CC(Br)=CN=C1Cl ACI-00874 [0,2,0,0,0,0|2,0,0]=4 244 B12R1.354 COC(=O)C1=CC(Br)=CN=C1O ACI-00875 [0,2,0,0,0,0|2,0,0]=4 245 B12R1.354 COC(=O)C1=CC(C)=CC=C1O ACI-05681 [0,2,0,0,0,0|1,0,0]=3 246 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1O ACI-05678 [0,2,0,0,0,0|1,0,0]=3 247 B12R1.354 COC(=O)C1=CC(Cl)=CN=C1Cl ACI-01387 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.354 COC(=O)C1=CC(I)=CC=C1O ACI-05680 [0,2,0,0,0,0|1,0,0]=3 249 B12R1.354 COC(=O)C1=CC(I)=CN=C1Cl ACI-01377 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.354 COC(=O)C1=CC(I)=CN=C1O ACI-01006 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.354 NNC(=O)C1=CC(Br)=CC=C1Cl ACI-01731 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.354 NNC(=O)C1=CC(F)=CC=C1F ACI-01759 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.354 O=C(NO)C1=CC(Cl)=CC=C1O ACI-05698 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.354 O=C(NO)C1=CC(I)=CC=C1O ACI-05700 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.358 NNC(=O)C1=CC(Cl)=CC(Cl)=C1 ACI-01754 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.358 NNC(=O)C1=CC(F)=CC(F)=C1 ACI-01755 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.358 O=C(CBr)C1=CC(F)=CC(F)=C1 ACI-01715 [0,2,0,0,0,0|1,0,0]=3 258 B12R1.435 COC(=N)C1=CC(C#N)=CC=C1 ACI-00227 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.435 N#CC1=CC=CC(C(=O)CBr)=C1 ACI-00234 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Br ACI-04026 [0,2,0,0,0,0|0,0,0]=2 261 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Cl ACI-04025 [0,2,0,0,0,0|0,0,0]=2 262 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1F ACI-04021 [0,2,0,0,0,0|0,0,0]=2 263 B12R1.124 CC1=C(C(=O)C(C)Br)C=CC=C1 ACI-04029 [0,2,0,0,0,0|0,0,0]=2 264 B12R1.124 CN(C)C(=O)C1=CC=CN=C1Cl ACI-01440 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.77 CCC(=O)C1=CC=CC=C1OC ACI-04020 [0,2,0,0,0,0|0,0,0]=2 266 B12R1.3441 COC(=O)C1=C(F)C=CC=C1O ACI-05666 [0,2,0,0,0,0|1,0,0]=3 267 B12R1.3441 COC(=O)C1=C(O)C=CC=C1O ACI-05667 [0,2,0,0,0,0|1,0,0]=3 268 B12R1.3441 O=C(CBr)C1=C(F)C=CC=C1F ACI-01719 [0,2,0,0,0,0|1,0,0]=3 269 B12R1.3441 O=C(NO)C1=C(F)C=CC=C1O ACI-05686 [0,2,0,0,0,0|2,0,0]=4 270 B12R1.3441 O=C(NO)C1=C(O)C=CC=C1O ACI-05687 [0,2,0,0,0,0|2,0,0]=4 271 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,0,0,1,0,1|1,0,0]=3 272 B12R2.24 O=C1CNC2=CC=CC=C2O1 ACI-02216 [0,0,0,1,0,1|1,0,0]=3 273 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,1,0,1|1,0,0]=3 274 B12R2.24 O=C1NCC2=CC=CC=C2O1 ACI-02210 [0,0,0,1,0,1|1,0,0]=3 275 B12R2.32 BrCC1=NC2=C(C=CC=C2)S1 ACI-00484 [0,0,0,1,0,1|1,1,0]=4 276 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,0,0,1,0,1|2,0,0]=4 277 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [0,0,0,1,0,1|2,0,0]=4 278 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,0,0,1,0,1|2,0,0]=4 279 B12R2.1 ClCC1=COC2=CC=CC=C12 ACI-05949 [0,1,0,1,0,0|1,0,1]=4 280 B12R2.1 O=CC1=COC2=C1C=CC=C2 ACI-01517 [0,1,0,1,0,0|1,0,1]=4 281 B12R2.1 O=CC1=CSC2=C1C=CC=C2 ACI-00483 [0,1,0,1,0,0|1,0,1]=4 282 B12R2.1 OCC1=COC2=CC=CC=C12 ACI-05948 [0,1,0,1,0,0|1,0,1]=4 283 B12R2.2 C1=CC=C(N2CCCC2)C=C1 ACI-05642 [0,1,0,1,0,0|2,0,0]=4 284 B12R2.1081 CN1CCOC2=CC=CC=C21 ACI-02680 [0,1,0,1,0,0|2,0,0]=4 285 B12R2.1081 S=C1NCCC2=CC=CC=C12 FD-10F-003 [0,1,0,1,0,0|0,1,0]=3 286 B12R2.2028 CC1CC(=O)C2=CC=CC=C21 JM-04K-002 [0,1,0,1,0,0|0,0,0]=2 287 B12R2.612 CN1CCC2=C1C=CC(Br)=C2 JM-09H-001 [0,1,0,1,0,0|2,0,0]=4 288 B12R2.132 NC1=CC=C2CCC(=O)C2=C1 ACI-01589 [0,1,0,1,0,0|0,0,0]=2 289 B12R2.132 NC1=CC=C2COC(=O)C2=C1 RH-05C-010 [0,1,0,1,0,0|1,0,0]=3 290 B8R1.7 CC(=O)C1=CC=NN1 ACI-NI-00192 [1,0,0,0,1,0|2,0,0]=4 291 B8R1.7 NC(=O)C1=CC=CO1 ACI-02007 [1,0,0,0,1,0|2,0,0]=4 292 B8R1.7 NC(=O)C1=COC=C1 ACI-02522 [1,0,0,0,1,0|2,0,0]=4 293 B8R1.7 NC(=O)C1=CSC=C1 JM-03G-005 [1,0,0,0,1,0|2,0,0]=4 294 B8R1.7 O=C(Cl)C1=COC=C1 ACI-00295 [1,0,0,0,1,0|2,0,0]=4 295 B8R1.7 O=C(Cl)C1=CSC=C1 ACI-00297 [1,0,0,0,1,0|2,0,0]=4 296 B12R1.27 COC(=O)\C=C\C1=CC=CN=C1 ACI-04772 [0,0,0,0,0,2|2,0,0]=4