0 B10R1.18 N=C(N)NC1=CC=CC=C1 ACI-04704 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.18 NC(=S)CC1=CC=CC=C1 SB-02C-001 [0,0,0,0,0,0|1,0,1]=2 2 B10R1.18 NC(N)=NC1=CC=CC=C1 ACI-00069 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.8 NOCC1=CC=CC=C1 ACI-01578 [1,0,0,0,0,0|1,0,0]=2 4 B9R1.8 O=CNC1=CC=CC=C1 ACI-01582 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.20 CC1=CC=C(CC(=N)N)C=C1 ACI-01697 [0,1,0,0,0,0|1,0,1]=3 6 B11R1.20 N=C(N)CC1=CC=C(Cl)C=C1 ACI-01700 [0,1,0,0,0,0|1,0,1]=3 7 B11R1.20 N=C(N)CC1=CC=C(F)C=C1 ACI-01698 [0,1,0,0,0,0|1,0,1]=3 8 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 RH-08K-004 [0,1,0,0,0,0|1,0,1]=3 9 B11R1.20 NC(=S)CC1=CC=C(Br)C=C1 ACI-NI-00199 [0,1,0,0,0,0|1,0,1]=3 10 B11R1.20 NC(N)=NC1=CC=C(Cl)C=C1 ACI-00070 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.20 O=C(Cl)CC1=CC=C(Br)C=C1 ACI-05800 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.36 CN(C(N)=S)C1=CC=CC=C1 ACI-01570 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.40 N#CC(Cl)CC1=CC=CC=C1 ACI-01611 [0,1,0,0,0,0|1,0,1]=3 14 B11R1.40 N\C(CC1=CC=CC=C1)=N/O ACI-00152 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.40 O=C(CBr)NC1=CC=CC=C1 ACI-01811 [0,1,0,0,0,0|2,0,1]=4 16 B11R1.40 O=C(CCl)NC1=CC=CC=C1 ACI-05777 [0,1,0,0,0,0|2,0,1]=4 17 B11R1.86 CC(=O)CC1=C(C)C=CC=C1 ACI-05057 [0,1,0,0,0,0|1,0,1]=3 18 B11R1.86 CC1=CC=CC=C1CC(=O)Cl ACI-05798 [0,1,0,0,0,0|2,0,1]=4 19 B11R1.86 NC(=O)CC1=C(I)C=CC=C1 ACI-05460 [0,1,0,0,0,0|1,0,1]=3 20 B11R1.86 NC(=S)CC1=CC=CC=C1Br ACI-NI-00198 [0,1,0,0,0,0|1,0,1]=3 21 B11R1.86 NC(=S)NC1=CC=CC=C1Cl ACI-00828 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.86 O=C(Cl)CC1=C(F)C=CC=C1 ACI-05793 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.86 O=C(Cl)CC1=C(I)C=CC=C1 ACI-05161 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 ACI-01701 [0,1,0,0,0,0|1,0,1]=3 25 B11R1.157 NC(=O)CC1=CC(Br)=CC=C1 ACI-05461 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.157 O=C(Cl)CC1=CC=CC(Br)=C1 ACI-05162 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.157 O=C(Cl)CC1=CC=CC(Cl)=C1 ACI-05795 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.157 O=C(Cl)CC1=CC=CC(F)=C1 ACI-05799 [0,1,0,0,0,0|2,0,1]=4 29 B11R2.10 ClC1=NC2=C(C=CC=C2)N1 ACI-00930 [0,0,0,1,0,0|2,0,1]=4 30 B11R2.10 S=C1CC2=CC=CC=C2N1 ACI-00937 [0,0,0,1,0,0|1,0,1]=3 31 B9R1.6 N=C(N)C1=CC=CC=N1 ACI-NI-00265 [0,0,0,0,1,0|2,0,1]=4 32 B9R1.6 N=C(N)C1=CC=CN=C1 ACI-00003 [0,0,0,0,1,0|2,0,1]=4 33 B9R1.6 N=C(N)C1=CC=NC=C1 ACI-NI-00269 [0,0,0,0,1,0|2,0,1]=4 34 B9R1.6 NC(=S)C1=CC=CC=N1 ACI-NI-00266 [0,0,0,0,1,0|2,0,1]=4 35 B11R1.91 CC(=O)COC1=CC=CC=C1 ACI-01577 [0,0,0,0,0,1|1,0,1]=3 36 B11R1.91 N=C(N)COC1=CC=CC=C1 ACI-05139 [0,0,0,0,0,1|1,0,1]=3 37 B11R1.91 N=C(N)NCC1=CC=CC=C1 ACI-01687 [0,0,0,0,0,1|1,0,1]=3 38 B11R1.91 NC(N)=NCC1=CC=CC=C1 ACI-00071 [0,0,0,0,0,1|1,0,1]=3 39 B8R1.2 ClCC1=NC=CC=C1 ACI-00989 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NNC1=CC=CN=C1 ACI-04199 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06378 [1,1,0,0,0,0|2,0,0]=4 42 B10R1.4 CCOC1=C(Br)C=CN=C1 ACI-06379 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.10 CNCC1=NC(Br)=CC=C1 FD-09B-004 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.15 COC(=N)C1=CC=CC=C1 ACI-15283 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.15 NNC(=O)C1=CC=CC=C1 ACI-01630 [1,1,0,0,0,0|1,0,1]=4 46 B10R1.17 BrCCOC1=CC=CC=C1 ACI-01603 [1,1,0,0,0,0|1,0,0]=3 47 B10R1.17 N#CCOC1=CC=CC=C1 ACI-05140 [1,1,0,0,0,0|0,0,2]=4 48 B10R1.17 OCCSC1=CC=CC=C1 ACI-02409 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.13 CC(C)C1=CC=[N+]([O-])C=C1 ACI-05159 [0,1,0,0,1,0|2,0,0]=4 50 B10R1.13 CC1=CC=C(C(=N)N)C=C1 ACI-00494 [0,1,0,0,1,0|1,0,1]=4 51 B10R1.13 N=C(N)C1=CC=C(Br)C=C1 ACI-NI-00221 [0,1,0,0,1,0|1,0,1]=4 52 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 ACI-01689 [0,1,0,0,1,0|1,0,1]=4 53 B10R1.13 N=C(N)C1=CC=C(F)C=C1 ACI-NI-00230 [0,1,0,0,1,0|1,0,1]=4 54 B10R1.13 NC(=O)C1=CC=C(F)C=C1 ACI-05410 [0,1,0,0,1,0|1,0,1]=4 55 B10R1.13 NC(=S)C1=CC=C(Br)C=C1 ACI-NI-00222 [0,1,0,0,1,0|1,0,1]=4 56 B10R1.13 NC(=S)C1=CC=C(F)C=C1 ACI-NI-00231 [0,1,0,0,1,0|1,0,1]=4 57 B10R1.61 CS(=O)C1=C(I)C=CC=C1 RH-10K-001 [0,1,0,0,1,0|2,0,0]=4 58 B10R1.61 N=C(N)C1=C(Br)C=CC=C1 ACI-NI-00396 [0,1,0,0,1,0|1,0,1]=4 59 B10R1.61 N=C(N)C1=C(F)C=CC=C1 ACI-NI-00227 [0,1,0,0,1,0|1,0,1]=4 60 B10R1.61 NC(=O)C1=CC=CC=C1Br ACI-05397 [0,1,0,0,1,0|1,0,1]=4 61 B10R1.61 NC(=S)C1=C(Br)C=CC=C1 ACI-NI-00219 [0,1,0,0,1,0|1,0,1]=4 62 B10R1.61 NC(=S)C1=C(F)C=CC=C1 ACI-NI-00228 [0,1,0,0,1,0|1,0,1]=4 63 B10R1.113 N=C(N)C1=CC=CC(Br)=C1 ACI-NI-00224 [0,1,0,0,1,0|1,0,1]=4 64 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 ACI-NI-00236 [0,1,0,0,1,0|1,0,1]=4 65 B10R1.113 N=C(N)C1=CC=CC(F)=C1 ACI-NI-00233 [0,1,0,0,1,0|1,0,1]=4 66 B10R1.113 NC(=O)C1=CC(F)=CC=C1 ACI-03952 [0,1,0,0,1,0|1,0,1]=4 67 B10R1.113 NC(=S)C1=CC=CC(Br)=C1 ACI-NI-00225 [0,1,0,0,1,0|1,0,1]=4 68 B10R1.113 NC(=S)C1=CC=CC(Cl)=C1 ACI-NI-00237 [0,1,0,0,1,0|1,0,1]=4 69 B10R1.113 NC(=S)C1=CC=CC(F)=C1 ACI-NI-00234 [0,1,0,0,1,0|1,0,1]=4 70 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 FD-09B-003 [0,1,0,0,0,1|1,0,1]=4 71 B12R1.21 CC1=CC=C(OCC(=N)N)C=C1 ACI-05110 [0,1,0,0,0,1|1,0,1]=4 72 B12R1.21 N=C(N)COC1=CC=C(Br)C=C1 ACI-05156 [0,1,0,0,0,1|1,0,1]=4 73 B12R1.21 N=C(N)COC1=CC=C(Cl)C=C1 ACI-05103 [0,1,0,0,0,1|1,0,1]=4 74 B12R1.21 N=C(N)COC1=CC=C(F)C=C1 ACI-05149 [0,1,0,0,0,1|1,0,1]=4 75 B12R1.21 N=C(N)SCC1=CC=C(Br)C=C1 WS-05C-004 [0,1,0,0,0,1|1,0,1]=4 76 B12R1.27 N\C(COC1=CC=CC=C1)=N/O FD-11E-002 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.125 CC1=C(CSC(=N)N)C=CC=C1 WS-05G-009 [0,1,0,0,0,1|1,0,1]=4 78 B12R1.125 CC1=C(OCC(=N)N)C=CC=C1 ACI-05104 [0,1,0,0,0,1|1,0,1]=4 79 B12R1.125 N=C(/N)COC1=CC=CC=C1Cl ACI-05097 [0,1,0,0,0,1|1,0,1]=4 80 B12R1.125 N=C(N)COC1=C(Br)C=CC=C1 ACI-05150 [0,1,0,0,0,1|1,0,1]=4 81 B12R1.125 N=C(N)COC1=C(F)C=CC=C1 ACI-05143 [0,1,0,0,0,1|1,0,1]=4 82 B12R1.226 CC1=CC=CC(OCC(=N)N)=C1 ACI-05109 [0,1,0,0,0,1|1,0,1]=4 83 B12R1.226 N=C(/N)COC1=CC=CC(Cl)=C1 ACI-05098 [0,1,0,0,0,1|1,0,1]=4 84 B12R1.226 N=C(N)COC1=CC(Br)=CC=C1 ACI-05155 [0,1,0,0,0,1|1,0,1]=4 85 B12R1.226 N=C(N)COC1=CC(F)=CC=C1 ACI-05144 [0,1,0,0,0,1|1,0,1]=4 86 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 ACI-05058 [0,2,0,0,0,0|1,0,1]=4 87 B12R1.20 CC(Br)C(=O)C1=CC=C(Br)C=C1 ACI-04028 [0,2,0,0,0,0|1,0,1]=4 88 B12R1.20 CC(Br)C(=O)C1=CC=C(Cl)C=C1 ACI-04024 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.20 CC(Br)C(=O)C1=CC=C(F)C=C1 ACI-04023 [0,2,0,0,0,0|1,0,1]=4 90 B12R1.49 N\C(CC1=CC=C(Br)C=C1)=N/O ACI-00154 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.49 N\C(CC1=CC=C(F)C=C1)=N/O RH-08K-002 [0,2,0,0,0,0|1,0,1]=4 92 B12R1.106 NS(=O)(=O)CC1=CC=C(Br)C=C1 ACI-04535 [0,2,0,0,0,0|2,0,0]=4 93 B12R1.106 NS(=O)(=O)CC1=CC=C(F)C=C1 ACI-04530 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.233 CC(=O)CC1=C(C)C=C(Cl)C=C1 ACI-05056 [0,2,0,0,0,0|1,0,1]=4 95 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Br ACI-04026 [0,2,0,0,0,0|1,0,1]=4 96 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1Cl ACI-04025 [0,2,0,0,0,0|1,0,1]=4 97 B12R1.124 CC(Br)C(=O)C1=CC=CC=C1F ACI-04021 [0,2,0,0,0,0|1,0,1]=4 98 B12R1.124 CC1=C(C(=O)C(C)Br)C=CC=C1 ACI-04029 [0,2,0,0,0,0|1,0,1]=4 99 B12R1.225 CC(Br)C(=O)C1=CC(Br)=CC=C1 ACI-04027 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.225 CC(Br)C(=O)C1=CC(F)=CC=C1 ACI-04022 [0,2,0,0,0,0|1,0,1]=4 101 B12R1.225 CC1=CC=CC(C(=O)C(C)Br)=C1 ACI-04030 [0,2,0,0,0,0|1,0,1]=4 102 B12R1.478 C(C#N)(C1=CC=CC=C1)N(C)C ACI-00264 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.50 N\C(CC1=CC=CC(F)=C1)=N/O ACI-05006 [0,2,0,0,0,0|1,0,1]=4 104 B12R1.371 COC(=O)CC1=CC=CC=C1Br ACI-01581 [0,2,0,0,0,0|1,0,1]=4 105 B12R1.75 COC1=CC=CC=C1CC(N)=S ACI-NI-00200 [0,2,0,0,0,0|1,0,1]=4 106 B12R1.151 CC1=CC=CC=C1CS(N)(=O)=O ACI-04538 [0,2,0,0,0,0|2,0,0]=4 107 B12R1.1009 CC(C)SC1=C(Cl)C=CC=C1N RH-05K-064 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.1009 N=C(N)CC1=C(Cl)C=CC=C1Cl ACI-00235 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.1009 NC(=O)CC1=C(F)C=CC=C1Cl ACI-05457 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 ACI-01699 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.438 COC1=CC=CC(CC(N)=S)=C1 ACI-00137 [0,2,0,0,0,0|1,0,1]=4 112 B12R2.24 O=C1NC2=CC=CC=C2CO1 ACI-02206 [0,0,0,1,0,1|1,0,1]=4 113 B12R2.2403 CC1(C)CNC2=CC=CC=C21 ACI-02737 [0,0,0,1,0,1|1,0,0]=3 114 B12R2.18 CC1CC2=C(C=CC=C2)C1=O JM-03H-001 [0,1,0,1,0,0|1,0,0]=3 115 B12R2.18 CN1C(=O)CC2=CC=CC=C21 RH-11F-002 [0,1,0,1,0,0|1,0,1]=4 116 B12R2.32 COC1=NC2=CC=CC=C2N1 ACI-06429 [0,1,0,1,0,0|1,0,1]=4 117 B12R2.32 ClCC1=NC2=C(C=CC=C2)N1 ACI-NI-00442 [0,1,0,1,0,0|1,0,1]=4 118 B12R2.32 OCC1=CC2=C(C=CC=C2)N1 ACI-02594 [0,1,0,1,0,0|0,0,2]=4 119 B8R1.8 NCCC1=CC=CS1 SB-11D-001 [1,0,0,0,1,0|1,0,0]=3