0 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,1,0,0,0,0|1,0,0]=2 6 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,1,0,0,0,0|1,0,0]=2 7 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,1,0,0,0,0|2,1,0]=4 8 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,1,0,0,0,0|2,0,1]=4 9 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,1,0,0,0,0|0,0,0]=1 10 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 BTB10192 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 KM00234 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.19 CS(=O)(=O)C1=CC=C(Cl)C=C1 KM00170 [0,1,0,0,0,0|2,0,1]=4 13 B11R1.21 CC1=C(Cl)C=C(C(=N)N)C=C1 RJF01058 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SPB07361 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.22 CC1=NC=C(\C(C)=N\O)C=C1 BTB07185 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.22 CSC(=N)C1=CC=C(Cl)C=C1 DP01090 [0,1,0,0,0,0|2,1,0]=4 19 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.22 N\N=C(/N)C1=CC=C(Cl)C=C1 DP01096 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [0,1,0,0,0,0|1,0,0]=2 24 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [0,1,0,0,0,0|2,0,0]=3 26 B9R1.35 CC(=O)C1=CC=C(Br)S1 KM02339 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [0,0,0,0,1,0|2,0,0]=3 29 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [0,0,0,0,1,0|2,0,0]=3 30 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [0,0,0,0,0,1|2,0,0]=3 31 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [0,0,0,0,0,1|2,0,0]=3 32 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [0,0,0,0,0,1|2,0,0]=3 33 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [0,0,0,0,0,1|1,0,0]=2 34 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [0,0,0,0,0,1|2,1,0]=4 35 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [0,0,0,0,0,1|2,0,0]=3 36 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [0,0,0,0,0,1|2,0,0]=3 37 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 DP01382 [0,0,0,0,0,1|2,1,0]=4 38 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [0,0,0,0,0,1|1,0,0]=2 39 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [0,0,0,0,0,1|1,0,0]=2 40 B10R1.61 NC(=O)C1=C(Br)C=CC=C1 RDP00161 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.61 O=C(O)C1=CC=CC=C1I BTB05694 [1,1,0,0,0,0|0,0,0]=2 42 B10R1.61 O=C(O)C1=CC=CN=C1S SB00659 [1,1,0,0,0,0|1,0,0]=3 43 B10R1.113 NC(=O)C1=CC(Br)=CN=C1 RDP00037 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 SB01732 [1,1,0,0,0,0|1,0,0]=3 45 B10R1.14 COC(=O)C1=CC=C(Br)O1 KM08612 [0,1,0,0,1,0|2,0,0]=4 46 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,1,0,0,1,0|1,1,0]=4 47 B10R1.58 O=C(O)C1=CC(Br)=C(Br)S1 BTB12603 [0,1,0,0,1,0|2,0,0]=4 48 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,1,0,0,0,1|2,0,0]=4 49 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,1,0,0,0,1|1,1,0]=4 50 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,1,0,0,0,1|1,0,0]=3 51 B12R1.19 CC(=O)NC1=CC(C)=C(C)C=C1 BTB05228 [0,1,0,0,0,1|2,0,0]=4 52 B12R1.19 CC(=O)NC1=CC(Cl)=C(Br)C=C1 SPB06382 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.19 CC(=O)NC1=CC(Cl)=C(C)C=C1 TL00758 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.19 CC(=O)NC1=CC(Cl)=C(Cl)C=C1 RDR01104 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.19 CC(=O)NC1=CC=C(Br)C(C)=C1 KM10161 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.19 CC1=CC=C(NC(N)=O)C=C1Cl JA00158 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.19 NC(=O)NC1=CC(F)=C(F)C=C1 CD02041 [0,1,0,0,0,1|2,0,0]=4 58 B12R1.49 COC(=S)NC1=CC=C(F)C=C1 CD03993 [0,1,0,0,0,1|1,1,0]=4 59 B12R1.233 CC(=O)NC1=C(Br)C=C(F)C=C1 BTB04571 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.233 CC(=O)NC1=C(C)C=C(I)C=C1 RDP00225 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.233 CC(=O)NC1=C(Cl)C=C(Br)C=C1 TL00885 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.233 CC(=O)NC1=C(Cl)C=C(Cl)C=C1 TL00914 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.233 CC(=O)NC1=C(F)C=C(F)C=C1 BTB03441 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.233 CC(=O)NC1=CC=C(Br)C=C1F BTB07539 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.233 CC(=O)NC1=CC=C(C)C=C1C KM08882 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C TL00898 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.233 CC(=O)NC1=CC=C(F)C=C1Cl BTB05770 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.233 CC1=CC(Cl)=CC=C1NC(N)=O JA00161 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.233 NC(=O)CC1=C(Cl)C=C(F)C=C1 TL01011 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.233 NC(=O)NC1=C(F)C=C(F)C=C1 KM10031 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,2,0,0,0,0|1,0,0]=3 72 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,2,0,0,0,0|1,0,0]=3 73 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 JFD01774 [0,2,0,0,0,0|2,0,0]=4 74 B12R1.6 CNC1=CC=C(S(=O)(=O)O)C=C1 JFD03588 [0,2,0,0,0,0|2,0,0]=4 75 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,2,0,0,0,0|1,0,0]=3 76 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 SB00616 [0,2,0,0,0,0|2,0,0]=4 77 B12R1.256 NC(=O)C1=CN=C(C(=O)O)C=C1 RF03037 [0,2,0,0,0,0|1,0,1]=4 78 B12R1.232 CC(=O)C1=CC(F)=C(Cl)C=C1Cl BTB15028 [0,2,0,0,0,0|2,0,0]=4 79 B12R1.367 CC1=C(F)C=C(\C(N)=N\O)C=C1 SPB07338 [0,2,0,0,0,0|2,0,0]=4 80 B12R1.367 C\C(=N/O)C1=CC(Cl)=C(Cl)C=C1 KM06672 [0,2,0,0,0,0|2,0,0]=4 81 B12R1.367 NNC(=O)C1=CC(F)=C(F)C=C1 SPB07437 [0,2,0,0,0,0|2,0,0]=4 82 B12R1.1005 CC1=C(C)C(=O)C=C(C(=O)O)O1 NRB04763 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.16 CC1=CC=C(C(=O)CC#N)C=C1 KM01491 [0,2,0,0,0,0|2,0,0]=4 84 B12R1.1703 C\C(=N/O)C1=CC=C(Cl)C=C1Cl KM06478 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.1703 NNC(=O)C1=CC=C(Cl)C=C1Cl BTB08025 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.1703 N\C(=N/O)C1=C(F)C=C(F)C=C1 MGH00219 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.1000 CC1=C(C(=O)O)C(O)=NC(O)=C1 RF00769 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.1000 CC1=CC(=O)OC(C)=C1C(=O)O KM09734 [0,2,0,0,0,0|1,0,1]=4 89 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(O)=N1 RF00089 [0,2,0,0,0,0|2,0,0]=4 90 B12R2.606 CC1=CC2=C(C=C1)NC(=S)O2 S06035 [0,0,0,1,0,1|1,1,0]=4 91 B12R2.606 O=C1CC2=C(C=CC(Cl)=C2)N1 JFD00620 [0,0,0,1,0,1|2,0,0]=4 92 B12R2.606 O=C1NC2=CC(Br)=CC=C2S1 BTB09256 [0,0,0,1,0,1|2,0,0]=4 93 B12R2.606 OC1=NC2=C(C=C(Cl)C=C2)O1 AC29726 [0,0,0,1,0,1|1,0,1]=4 94 B12R2.612 O=C1CCC2=CC(Cl)=CC=C12 RJC01116 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.612 OC1=NOC2=C1C=CC(Cl)=C2 RF01288 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.18 NC(=S)CC1=CC=CC=C1 DP01377 [1,0,0,0,0,1|1,1,0]=4 97 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 BTB14159 [0,0,0,0,0,2|1,0,0]=3 98 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 RJC00256 [0,0,0,0,0,2|1,0,0]=3 99 B12R1.21 NC(=O)COC1=CC=C(Cl)C=C1 SPB05735 [0,0,0,0,0,2|2,0,0]=4 100 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 S14532 [0,0,0,0,0,2|2,0,0]=4 101 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 RF00560 [0,0,0,0,0,2|1,0,0]=3 102 B12R1.21 O=C(O)CSC1=CC=C(F)C=C1 KM09206 [0,0,0,0,0,2|1,0,0]=3