0 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X8846 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.22 N#CC(O)C1=CC=C(O)C=C1 7791AL [0,0,0,0,0,0|2,0,2]=4 3 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 6779AB [0,0,0,0,0,0|3,0,0]=3 4 B11R1.22 O\N=C(/Cl)C1=CC=C(F)C=C1 9588AJ [0,0,0,0,0,0|4,0,0]=4 5 B10R1.1 CNCC1=CC=C(O)C=C1 9883AL [1,0,0,0,0,0|1,0,1]=3 6 B10R1.1 COCC1=CN=C(Cl)C=C1 Z2539 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.1 COCC1=NC=C(Br)C=C1 Y3500 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.1 O=CCC1=CC=C(O)C=C1 Y9945 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.13 CC(N)C1=CC=C(N)C=C1 2415AJ [1,0,0,0,0,0|2,0,1]=4 10 B10R1.13 CN(C)C1=CC=C(N)C=C1 8439AL [1,0,0,0,0,0|3,0,0]=4 11 B10R1.13 C[C@@H](N)C1=CC=C(Cl)C=C1 Z1901 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.13 C[C@@H](N)C1=CC=C(N)C=C1 W7687 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 3889AD [1,0,0,0,0,0|1,0,1]=3 14 B10R1.13 N=C(N)C1=CC=C(Cl)C=C1 0105AB [1,0,0,0,0,0|3,0,0]=4 15 B10R1.13 N=C(N)C1=CC=C(F)C=C1 Y5354 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.13 NC1=CC=C(B(O)O)C=C1 9495AJ [1,0,0,0,0,0|2,0,1]=4 17 B10R1.13 NC1=CC=C(C(=O)O)C=C1 5560AH [1,0,0,0,0,0|1,0,0]=2 18 B10R1.13 NC1=CC=C(C(=O)O)C=N1 5387AH [1,0,0,0,0,0|2,0,0]=3 19 B10R1.13 O=C(Cl)C1=CC=C(Br)C=C1 D232 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.13 OC1=CC=C(C(F)F)C=C1 5425AB [1,0,0,0,0,0|2,0,1]=4 21 B10R1.15 CNC(=O)C1=NC=CN=C1 4419AJ [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 CSC(=N)C1=CC=CN=C1 0332AD [1,0,0,0,0,0|2,1,0]=4 23 B10R1.15 CSC(=N)C1=CC=NC=C1 0163AD [1,0,0,0,0,0|2,1,0]=4 24 B10R1.15 CSC(=N)C1=NC=CC=C1 4542AF [1,0,0,0,0,0|2,1,0]=4 25 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 NCC(=O)C1=CC=CC=C1 L191 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.5 CCC1=NC=C(C(=O)OC)C=C1 Y6376 [0,1,0,0,0,0|2,0,0]=3 28 B12R1.5 COC(=O)C1=CN=C(CCl)C=C1 9848AL [0,1,0,0,0,0|2,0,0]=3 29 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 1770AL [0,1,0,0,0,0|2,0,0]=3 30 B12R1.5 COC1=CC=C(C(=O)C=O)C=C1 8207AA [0,1,0,0,0,0|2,0,0]=3 31 B12R1.5 COC1=CC=C(\C(N)=N\O)C=C1 Y9382 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.5 N#CC1=CC=C(C(=O)C=O)C=C1 2510AL [0,1,0,0,0,0|3,0,0]=4 33 B12R1.16 CC1=CC=C(C(=O)N=C=S)C=C1 5390AD [0,1,0,0,0,0|2,0,1]=4 34 B12R1.16 CCOC(=O)C1=NC=C(N)N=C1 3084AJ [0,1,0,0,0,0|3,0,0]=4 35 B12R1.16 O=C(\C=N\O)C1=CC=C(Cl)C=C1 9216AJ [0,1,0,0,0,0|3,0,0]=4 36 B12R1.20 CC(C)S(=O)C1=CC=C(Br)C=C1 Z9880 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=C1 X5465 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.367 O=C(CBr)C1=CC=C(Cl)C(Br)=C1 4999AH [0,1,0,0,0,0|3,0,0]=4 39 B12R1.367 O=C(CBr)C1=CC=C(F)C(F)=C1 Y9035 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.1703 NCC(=O)C1=CC=C(F)C=C1F L158 [0,1,0,0,0,0|3,0,0]=4 41 B12R1.1703 O=C(NO)C1=CC=C(Cl)C=C1O 6760AE [0,1,0,0,0,0|3,0,0]=4 42 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 0225AE [0,0,0,0,1,0|3,0,0]=4 43 B10R1.14 COC(=O)C1=CC=C(I)O1 9757AL [0,0,0,0,1,0|2,0,0]=3 44 B10R1.14 COC(=O)C1=CN=C(N)[Se]1 Z2510 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.14 COC(=O)C1=NC=C(Br)S1 3661AA [0,0,0,0,1,0|3,0,0]=4 46 B12R1.49 CC1=CC=C(SC(=O)CCl)C=C1 3816AL [0,0,0,0,0,1|3,0,0]=4 47 B9R1.1 C=CC1=CC=C(N)C=C1 2121AA [2,0,0,0,0,0|1,0,1]=4 48 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.8 C\C=C\C1=NC=CC=C1 Y6273 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.6 C=C(Br)C1=CC=CC=C1 V9920 [2,0,0,0,0,0|1,0,1]=4 52 B9R1.6 CC(=O)C1=CC=NC=C1 7859AF [2,0,0,0,0,0|1,0,0]=3 53 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [2,0,0,0,0,0|1,0,1]=4 54 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [2,0,0,0,0,0|2,0,0]=4 55 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [2,0,0,0,0,0|2,0,0]=4 56 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [2,0,0,0,0,0|1,0,0]=3 57 B9R1.6 NC(=O)C1=NC=CC=C1 7986AJ [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 O=C(O)C1=CC=CN=C1 7629AF [2,0,0,0,0,0|1,0,0]=3 59 B9R1.6 O=C(O)C1=NC=CC=C1 5114AH [2,0,0,0,0,0|1,0,0]=3 60 B9R1.6 O=C([O-])C1=CC=CC=C1 M138 [2,0,0,0,0,0|0,0,1]=3 61 B9R1.6 O=C([O-])C1=CC=CC=C1 V1440 [2,0,0,0,0,0|0,0,1]=3 62 B9R1.6 O=C([O-])C1=CC=CC=C1 V1449 [2,0,0,0,0,0|0,0,1]=3 63 B9R1.6 O=C([O-])C1=CC=CC=C1 V1986 [2,0,0,0,0,0|0,0,1]=3 64 B9R1.6 O=[PH]([O-])C1=CC=CC=C1 C359 [2,0,0,0,0,0|1,0,1]=4 65 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 1866AB [1,1,0,0,0,0|2,0,0]=4 66 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 9182AF [1,1,0,0,0,0|1,0,0]=3 67 B11R1.81 O\N=C\C1=CC=C(O)C=C1O H019 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.192 COCC1=CC=C(Br)C(C)=C1 Z0252 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.192 COCC1=CC=C(Cl)C(Br)=C1 Y3635 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.3 COC1=CC=C(C(=N)N)C=C1 1267AB [1,1,0,0,0,0|2,0,0]=4 71 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X8700 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.19 CS(=N)(=O)C1=CC=C(O)C=C1 9067AJ [1,1,0,0,0,0|1,0,0]=3 73 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 2406AC [1,1,0,0,0,0|2,0,0]=4 74 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5122AF [1,1,0,0,0,0|1,0,1]=4 75 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5123AF [1,1,0,0,0,0|1,0,1]=4 76 B11R1.19 O=S(=O)([O-])C1=CC=C(O)C=C1 5124AF [1,1,0,0,0,0|1,0,1]=4 77 B11R1.21 CC1=CC(C(=O)O)=CN=C1C 3056AJ [1,1,0,0,0,0|2,0,0]=4 78 B11R1.21 O=C(Cl)C1=CC=C(F)C(Br)=C1 V0688 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 Q197 [1,1,0,0,0,0|1,0,0]=3 80 B11R1.166 NC1=CC(N)=C(C(=O)O)C=C1 5297AL [1,1,0,0,0,0|1,0,0]=3 81 B11R1.166 NC1=CC=C(C(=O)O)C(O)=C1 7684AH [1,1,0,0,0,0|1,0,0]=3 82 B11R1.166 NC1=CC=C(C(=O)[O-])C(O)=C1 Q822 [1,1,0,0,0,0|1,0,1]=4 83 B11R1.12 CC\C(=N/O)C1=CC=CC=C1 7960AD [1,1,0,0,0,0|1,0,1]=4 84 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,1,0,0,0,0|1,0,0]=3 85 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,1,0,0,0,0|1,0,0]=3 86 B11R1.23 NCC(=O)C1=CC(Br)=CC=C1 1452AJ [1,1,0,0,0,0|2,0,0]=4 87 B11R1.23 O=CC(=O)C1=CC(Br)=CC=C1 1099AL [1,1,0,0,0,0|2,0,0]=4 88 B11R1.36 C=C(C(C)=O)C1=CC=CC=C1 Y8709 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 1498AC [0,1,0,0,1,0|2,0,0]=4 90 B11R1.15 CCOC(=O)C1=CSC(N)=C1 6712AH [0,1,0,0,1,0|2,0,0]=4 91 B11R1.225 COC(=O)C1=C(C)OC(Br)=C1 4184AB [0,1,0,0,1,0|2,0,0]=4 92 B13R1.5 CCC(=O)OC1=CC=C(OC)C=C1 5690AF [0,1,0,0,0,1|1,0,0]=3 93 B13R1.19 CNCC(=O)NC1=CC=C(C)C=C1 7365AE [0,1,0,0,0,1|2,0,0]=4 94 B13R1.95 COC1=CC(Cl)=C(C(=O)CCl)C=C1 9946AL [0,2,0,0,0,0|2,0,0]=4 95 B13R1.139 COC(=O)C1=CC=C(C#CBr)C=C1 1369AB [0,2,0,0,0,0|1,0,0]=3 96 B13R1.452 COC1=CC=C(C(=O)\C=N\O)C=C1 9219AJ [0,2,0,0,0,0|2,0,0]=4 97 B13R1.3088 CNC1=C(C)C=C(C(=O)OC)C=C1 2343AJ [0,2,0,0,0,0|1,0,0]=3 98 B13R1.331 COC(CO)C1=CC=C(O)C(O)=C1 W2006 [0,2,0,0,0,0|0,0,2]=4 99 B13R1.17 CC1=CC=C(C(=O)CCCCl)C=C1 2155AE [0,2,0,0,0,0|2,0,0]=4 100 B13R1.17 CCCOC(=O)C1=CN=C(Cl)C=C1 B238 [0,2,0,0,0,0|2,0,0]=4 101 B13R1.17 CNCCC(=O)C1=CC=C(F)C=C1 Z2223 [0,2,0,0,0,0|2,0,0]=4 102 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 V6995 [0,2,0,0,0,0|2,0,0]=4 103 B13R1.132 CC(C)OC(=O)C1=CN=C(Cl)C=C1 B239 [0,2,0,0,0,0|2,0,0]=4 104 B13R1.466 CCOC(=O)C1=CC(C)=C(Cl)N=C1 9916AL [0,2,0,0,0,0|2,0,0]=4 105 B13R1.466 CCOC(=O)C1=CC=C(Br)C(=O)N1 3852AA [0,2,0,0,0,0|2,0,0]=4 106 B13R1.466 CCOC(=O)C1=NC(C)=C(Br)C=C1 Y3686 [0,2,0,0,0,0|2,0,0]=4 107 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Br 3882AA [0,2,0,0,0,0|2,0,0]=4 108 B13R1.510 CC1=CC=C(C(=O)C(C)Br)C=C1Cl Y7870 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.49 COC1=C(O)C=CC(C(=O)NN)=C1 7150AC [0,2,0,0,0,0|2,0,0]=4 110 B13R1.4656 COC(=O)C1=C(C)C=C(O)C=C1C 0990AC [0,2,0,0,0,0|0,0,0]=2 111 B13R2.520 NC1=CC=C(C(=O)C2CC2)C=C1 8736AH [0,1,0,1,0,0|2,0,0]=4 112 B9R1.11 COC(=O)C1=CON=C1 4175AJ [1,0,0,0,1,0|2,0,0]=4 113 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [1,0,0,0,0,1|2,0,0]=4 114 B13R1.14 COC(=O)\C=C\C1=CC=C(N)C=C1 X5349 [0,0,0,0,0,2|1,0,0]=3