0 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 BTB09873 [0,0,0,0,0,0|1,0,0]=1 1 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 JFD03586 [0,0,0,0,0,0|1,0,0]=1 2 B11R1.3 COC1=NC=C(C(N)=S)C=C1 SPB05765 [0,0,0,0,0,0|2,1,0]=3 3 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 SEW05471 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 BTB13819 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.13 CC1=CC=C(C(N)=S)C=N1 SPB05963 [1,0,0,0,0,0|2,1,0]=4 6 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 CD07981 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 SPB06264 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.13 NC(=S)C1=CC=C(F)C=C1 SEW05679 [1,0,0,0,0,0|2,1,0]=4 9 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 RJC02323 [0,1,0,0,0,0|2,0,0]=3 10 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 BTB00865 [0,1,0,0,0,0|1,0,0]=2 11 B12R1.5 NCC1=CC=C(C(=O)NN)C=C1 JFD01774 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.6 CNC1=CC=C(S(=O)(=O)O)C=C1 JFD03588 [0,1,0,0,0,0|2,0,0]=3 13 B12R1.113 CCNC1=CC=C(C(=O)O)C=C1 BTB10315 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.113 CCNC1=CC=C([N+](=O)[O-])C=C1 BTB13398 [0,1,0,0,0,0|2,0,1]=4 15 B12R1.256 CS(=O)C1=CC=C([N+](=O)[O-])C=C1 NRB00582 [0,1,0,0,0,0|1,1,1]=4 16 B12R1.256 N=C(N)C1=CC=C(C(N)=O)C=C1 SB00616 [0,1,0,0,0,0|3,0,0]=4 17 B12R1.256 NC(=O)C1=CN=C(C(=O)O)C=C1 RF03037 [0,1,0,0,0,0|3,0,0]=4 18 B10R1.31 CSC1=CC=C(C(=O)O)S1 SEW03638 [0,0,0,0,1,0|1,1,0]=3 19 B10R1.31 CSC1=CC=C(C(N)=O)S1 SEW03628 [0,0,0,0,1,0|2,1,0]=4 20 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 SPB07621 [0,0,0,0,0,1|3,0,0]=4 21 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 DP01386 [0,0,0,0,0,1|1,1,0]=3 22 B12R1.4 COC1=CC=C(NC(N)=O)C=C1 NRB04513 [0,0,0,0,0,1|1,0,0]=2 23 B9R1.1 CSC1=CC=C(Br)C=C1 BTB04532 [2,0,0,0,0,0|1,1,0]=4 24 B11R1.279 COC1=C(Br)C=C(C#N)C=C1 JFD00651 [1,1,0,0,0,0|1,0,1]=4 25 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 BTB10192 [1,1,0,0,0,0|1,0,0]=3 26 B11R1.19 CC1=CC=C(S(C)(=O)=O)C=C1 KM00234 [1,1,0,0,0,0|1,0,1]=4 27 B11R1.21 CC1=C(Cl)C=C(C(=N)N)C=C1 RJF01058 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.21 CC1=C(F)C=C(C(=N)N)C=C1 SPB07361 [1,1,0,0,0,0|2,0,0]=4 29 B11R1.22 CC1=NC=C(\C(C)=N\O)C=C1 BTB07185 [1,1,0,0,0,0|2,0,0]=4 30 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 HTS13706 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 KM05492 [1,1,0,0,0,0|1,0,0]=3 32 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 BTB04111 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BTB04099 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.22 N\C(=N/O)C1=CC=C(Cl)C=C1 SPB06960 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.22 O=C(CO)C1=CC=C(Cl)C=C1 CD11832 [1,1,0,0,0,0|1,0,0]=3 36 B11R1.22 O=C(CO)C1=CC=C(F)C=C1 HTS02459 [1,1,0,0,0,0|1,0,0]=3 37 B11R1.166 CC1=CC=C(C(=O)O)C(O)=N1 SB01990 [1,1,0,0,0,0|1,0,0]=3 38 B13R1.35 COC1=C(Cl)C=C(NC(C)=O)C=C1 BTB10813 [0,1,0,0,0,1|1,0,0]=3 39 B13R1.142 CCCC1=CC=C(NC(C)=O)C=C1 BTB04635 [0,1,0,0,0,1|2,0,0]=4 40 B13R1.142 CCOC1=CC=C(NC(N)=O)C=C1 BTB13290 [0,1,0,0,0,1|1,0,0]=3 41 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 SB00534 [0,1,0,0,0,1|2,0,0]=4 42 B13R1.585 CC(=O)NC1=CC=C(C(C)C)C=C1 DP01941 [0,1,0,0,0,1|2,0,0]=4 43 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 SB00940 [0,1,0,0,0,1|2,0,0]=4 44 B13R1.139 CCCC1=CC=C(\C(C)=N\O)C=C1 TL00858 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.452 COC1=CC=C(\C(N)=N\C#N)C=C1 BTB13804 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.537 CN(C)C1=CC=C(C(=O)NN)C=C1 CD01774 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.537 COC(=O)C1=CN=C(C(=O)O)C=C1 RF03028 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.3088 COC(=O)C1=CC=C(OC)C(I)=C1 TL00305 [0,2,0,0,0,0|0,0,0]=2 49 B13R1.338 CC(=O)C1=CC=C(S(C)(=O)=O)C=C1 JFD01520 [0,2,0,0,0,0|1,1,0]=4 50 B13R1.338 NS(=O)(=O)C1=CC=C(C(=O)O)C=C1 BTB13399 [0,2,0,0,0,0|1,1,0]=4 51 B13R1.120 O=C(O)C1=CC=C(C(=O)O)C(F)=C1 RDR03446 [0,2,0,0,0,0|2,0,0]=4 52 B13R1.3380 COC1=C(Br)C=C([N+](=O)[O-])C=C1Br RDR01643 [0,2,0,0,0,0|1,0,1]=4 53 B13R1.74 CCCCC1=CC=C(C(N)=O)C=C1 TL00754 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.74 N#CCOC1=CC=C([N+](=O)[O-])C=C1 SPB04268 [0,2,0,0,0,0|1,0,1]=4 55 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CD10965 [0,0,1,1,0,0|2,0,0]=4 56 B13R2.2121 COC1=CC2=C(C=C1)NC(S)=N2 RH00387 [0,0,0,1,0,1|1,1,0]=4 57 B13R2.2121 COC1=CC=C2N=C(N)SC2=C1 BTB04799 [0,0,0,1,0,1|1,1,0]=4 58 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 BTB13426 [0,0,0,1,0,1|2,0,0]=4 59 B13R2.430 CC(=O)C1=CC=C2OCCC2=C1 KM05976 [0,1,0,1,0,0|1,0,0]=3 60 B13R2.430 NC(=O)C1=CC2=C(C=C1)OCO2 CC00048 [0,1,0,1,0,0|1,0,0]=3 61 B13R2.430 NC(=S)C1=CC=C2OCCC2=C1 SP00108 [0,1,0,1,0,0|1,1,0]=4 62 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 CC05901 [0,1,0,1,0,0|1,0,1]=4 63 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=C2 CC07101 [0,1,0,1,0,0|0,0,1]=3 64 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 CC01601 [0,1,0,1,0,0|0,0,0]=2 65 B13R2.430 O=C(O)C1=CC2=NON=C2C=C1 CC09701 [0,1,0,1,0,0|1,0,0]=3 66 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 CC09201 [0,1,0,1,0,0|1,1,0]=4 67 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 RJC02385 [0,1,0,1,0,0|1,0,1]=4 68 B13R2.430 O=C(O)C1=CC=C2OCCC2=C1 CC00801 [0,1,0,1,0,0|0,0,0]=2 69 B9R1.35 O=C(O)C1=CC=C(Br)O1 AC10702 [1,0,0,0,1,0|2,0,0]=4 70 B9R1.35 O=C(O)C1=CC=C(Br)S1 BTB12643 [1,0,0,0,1,0|2,0,0]=4 71 B9R1.35 O=C(O)C1=CC=C(Cl)S1 KM03331 [1,0,0,0,1,0|2,0,0]=4 72 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 KM05555 [1,0,0,0,0,1|2,0,0]=4 73 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 DP01919 [1,0,0,0,0,1|2,0,0]=4 74 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 RH00230 [1,0,0,0,0,1|2,0,0]=4 75 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 MB00106 [1,0,0,0,0,1|0,0,0]=2 76 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 DP01389 [1,0,0,0,0,1|1,1,0]=4 77 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 JA00151 [1,0,0,0,0,1|1,0,0]=3 78 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 S04036 [1,0,0,0,0,1|2,0,0]=4 79 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 TL00410 [1,0,0,0,0,1|1,0,0]=3 80 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 RH01845 [1,0,0,0,0,1|1,0,0]=3 81 B11R1.266 COC1=NC=CC(C(N)=O)=C1 SPB06368 [0,0,0,0,1,1|1,0,0]=3 82 B13R1.3 COC1=CC=C(NNC(N)=S)C=C1 PD00457 [0,0,0,0,0,2|1,1,0]=4 83 B13R1.3 COC1=CC=C(OCC(N)=O)C=C1 SPB08002 [0,0,0,0,0,2|1,0,0]=3 84 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 S01396 [0,0,0,0,0,2|1,0,1]=4