0 B11R1.91 CC(=O)COC1=CC=CC=C1 2617-1-0W [0,0,0,0,0,0|2,0,0]=2 1 B11R1.91 CC(N)CCC1=CC=CC=C1 3630-1-X9 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.91 CC(O)CCC1=CC=CC=C1 2602-1-09 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.91 CN(C)CCC1=CC=CC=N1 3H32-1-N6 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.91 FC(F)COC1=CC=CC=C1 2607-3-36 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.91 FC(F)SCC1=CC=CC=C1 5666-3-07 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 N=C(N)COC1=CC=CC=C1 4641-5-X3 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.91 N=C(N)CSC1=CC=CC=C1 7666-5-X5 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.91 NC(=O)COC1=CC=CC=C1 4648-1-17 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.91 NC(=O)OCC1=CC=CC=C1 4756-1-47 [0,0,0,0,0,0|2,0,0]=2 10 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 4648-1-1V [0,0,0,0,0,0|1,0,2]=3 11 B11R1.91 NC(=S)NCC1=CC=CC=C1 7767-1-06 [0,0,0,0,0,0|2,1,0]=3 12 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 2616-5-13 [0,0,0,0,0,0|1,0,0]=1 13 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 2716-5-X4 [0,0,0,0,0,0|2,0,0]=2 14 B11R1.91 O=C(O)CCC1=CC=CC=C1 2721-1-01 [0,0,0,0,0,0|0,0,0]=0 15 B11R1.91 O=C(O)CCC1=CC=CN=C1 4H21-1-XY [0,0,0,0,0,0|1,0,0]=1 16 B11R1.91 O=C(O)CCC1=CC=NC=C1 P612-A-35 [0,0,0,0,0,0|1,0,0]=1 17 B11R1.91 O=C(O)COC1=CC=CC=C1 2621-1-02 [0,0,0,0,0,0|1,0,0]=1 18 B11R1.91 O=C(O)CSC1=CC=NC=C1 8H66-1-W7 [0,0,0,0,0,0|2,0,0]=2 19 B11R1.91 O=C(O)\C=C\C1=CC=CC=N1 4H21-1-H5 [0,0,0,0,0,0|1,0,2]=3 20 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 4H21-1-H6 [0,0,0,0,0,0|1,0,2]=3 21 B11R1.91 O=C(O)\C=C\C1=CC=NC=C1 4H21-1-H7 [0,0,0,0,0,0|1,0,2]=3 22 B11R1.91 OB(O)CCC1=CC=CC=C1 6760-1-W3 [0,0,0,0,0,0|1,0,1]=2 23 B11R1.91 OB(O)\C=C\C1=CC=CC=C1 6960-1-X3 [0,0,0,0,0,0|1,0,3]=4 24 B10R1.17 BrCCCC1=CC=CC=C1 1700-9-Z5 [1,0,0,0,0,0|1,0,1]=3 25 B10R1.17 BrCCOC1=CC=CC=C1 2607-9-X6 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.17 CCNCC1=CC=CC=C1 3731-1-04 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.17 CNCCC1=CC=CC=N1 3H31-1-Q6 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.17 COCSC1=CC=CC=C1 6666-1-0Q [1,0,0,0,0,0|3,0,0]=4 29 B10R1.17 ClCCSC1=CC=CC=C1 5666-5-04 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.17 N#CCNC1=CC=CC=C1 3637-1-0H [1,0,0,0,0,0|2,0,1]=4 31 B10R1.17 N#CCSC1=CC=CC=C1 7666-1-W9 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.17 NCCCC1=CC=CC=C1 3H30-1-H6 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.17 NCCOC1=CC=CC=C1 4656-1-Y0 [1,0,0,0,0,0|2,0,1]=4 34 B10R1.17 O=CC#CC1=CC=CC=C1 2915-1-09 [1,0,0,0,0,0|0,0,2]=3 35 B10R1.17 OCC#CC1=CC=CC=C1 2901-1-02 [1,0,0,0,0,0|0,0,3]=4 36 B10R1.17 OCCCC1=CC=CC=N1 4H56-1-LM [1,0,0,0,0,0|1,0,1]=3 37 B10R1.17 OCCNC1=CC=CC=N1 4H56-1-FB [1,0,0,0,0,0|2,0,1]=4 38 B10R1.17 OCCNC1=CC=CC=N1 4H56-5-20 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.17 OCCNC1=CC=NC=C1 4H56-1-DX [1,0,0,0,0,0|2,0,1]=4 40 B10R1.17 OCCOC1=CC=CC=C1 2607-1-06 [1,0,0,0,0,0|1,0,1]=3 41 B10R1.17 S=C=NCC1=CC=CC=C1 7768-1-X2 [1,0,0,0,0,0|1,1,1]=4 42 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 2620-1-X5 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.21 CC(=O)CSC1=CC=C(C)C=C1 6666-1-X7 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.21 CC(=O)CSC1=CC=C(Cl)C=C1 6666-5-01 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.21 CC(=O)CSC1=CC=C(F)C=C1 6666-3-X3 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 2721-1-42 [0,1,0,0,0,0|0,0,0]=1 47 B12R1.21 CC1=CC=C(CNC(N)=S)C=C1 7767-1-22 [0,1,0,0,0,0|2,1,0]=4 48 B12R1.21 CC1=CC=C(SCC(=O)O)C=C1 6766-1-X1 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y5 [0,1,0,0,0,0|0,0,2]=3 50 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 3632-1-0M [0,1,0,0,0,0|3,0,0]=4 51 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 4653-3-X0 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.21 NC(=S)NCC1=CC=C(Cl)C=C1 7767-5-02 [0,1,0,0,0,0|2,1,0]=4 53 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 4757-1-06 [0,1,0,0,0,0|0,0,0]=1 54 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 2721-9-07 [0,1,0,0,0,0|0,0,0]=1 55 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 2721-5-06 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 2721-3-14 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 2721-H-X2 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 2729-1-X5 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 2621-5-0B [0,1,0,0,0,0|1,0,0]=2 60 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 2621-3-01 [0,1,0,0,0,0|1,0,0]=2 61 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 2921-5-03 [0,1,0,0,0,0|0,0,2]=3 62 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 2921-3-04 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-00 [0,1,0,0,0,0|0,0,2]=3 64 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 2929-1-E00 [0,1,0,0,0,0|0,0,2]=3 65 B12R1.27 CC(CO)NCC1=CC=CC=C1 4656-1-AA [0,1,0,0,0,0|2,0,1]=4 66 B12R1.27 CNC(=S)NCC1=CC=CC=C1 7767-1-03 [0,1,0,0,0,0|2,1,0]=4 67 B12R1.27 COC(=O)C#CC1=CC=CC=C1 2923-1-27 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.27 COC(=O)CCC1=CC=CC=C1 2723-1-38 [0,1,0,0,0,0|0,0,0]=1 69 B12R1.27 COC(=O)COC1=CC=CC=C1 2623-1-37 [0,1,0,0,0,0|1,0,0]=2 70 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 2923-1-29 [0,1,0,0,0,0|0,0,2]=3 71 B12R1.27 NCC(=O)OCC1=CC=CC=C1 4657-5-0Q [0,1,0,0,0,0|2,0,0]=3 72 B12R1.27 NNC(=O)OCC1=CC=CC=C1 4648-1-Y5 [0,1,0,0,0,0|2,0,0]=3 73 B12R1.27 NNC(=S)NCC1=CC=CC=C1 7767-1-01 [0,1,0,0,0,0|2,1,0]=4 74 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 4748-5-X3 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.27 O=C(NO)OCC1=CC=CC=C1 4656-1-9J [0,1,0,0,0,0|1,0,0]=2 76 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O 2921-1-Y6 [0,1,0,0,0,0|0,0,1]=2 77 B12R1.43 N[C@@H](CC1=CC=CN=C1)C(=O)O 4H57-5-S1 [0,1,0,0,0,0|1,0,0]=2 78 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 4757-1-R0 [0,1,0,0,0,0|0,0,0]=1 79 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-1-13 [0,1,0,0,0,0|1,0,0]=2 80 B12R1.43 N[C@H](CC1=CC=CN=C1)C(=O)O 4H57-5-R1 [0,1,0,0,0,0|1,0,0]=2 81 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O 4H57-5-0G [0,1,0,0,0,0|1,0,0]=2 82 B12R1.43 N[C@H](CC1=CN=CC=C1)C(=O)O 4H57-5-0A [0,1,0,0,0,0|1,0,0]=2 83 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O 4H57-1-W7 [0,1,0,0,0,0|1,0,0]=2 84 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O 4H57-1-Y6 [0,1,0,0,0,0|1,0,0]=2 85 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 2618-1-X5 [0,1,0,0,0,0|1,0,1]=3 86 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 2621-1-2X [0,1,0,0,0,0|0,0,0]=1 87 B12R1.107 CN(C)CC(N)C1=CC=CC=C1 3732-1-X7 [0,1,0,0,0,0|3,0,0]=4 88 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 4657-1-29 [0,1,0,0,0,0|0,0,0]=1 89 B12R1.107 O=C(C[N+](=O)[O-])C1=CC=CC=C1 4654-1-AQ [0,1,0,0,0,0|1,0,2]=4 90 B12R1.125 CC(=O)\C=C\C1=CC=CC=C1Cl 2917-5-22 [0,1,0,0,0,0|1,0,2]=4 91 B12R1.125 CC1=CC=CC=C1CCC(=O)O 2721-1-41 [0,1,0,0,0,0|0,0,0]=1 92 B12R1.125 N=C(N)COC1=CC=CC=C1Cl 4641-5-X4 [0,1,0,0,0,0|3,0,0]=4 93 B12R1.125 O=C(O)CCC1=CC=CC=C1Br 2721-9-05 [0,1,0,0,0,0|0,0,0]=1 94 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl 2721-5-05 [0,1,0,0,0,0|0,0,0]=1 95 B12R1.125 O=C(O)CCC1=CC=CC=C1F 2721-3-12 [0,1,0,0,0,0|0,0,0]=1 96 B12R1.125 O=C(O)CCC1=CC=CC=C1O 2729-1-16 [0,1,0,0,0,0|0,0,0]=1 97 B12R1.125 O=C(O)COC1=CC=CC=C1Br 2621-9-0G [0,1,0,0,0,0|1,0,0]=2 98 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 2921-3-02 [0,1,0,0,0,0|0,0,2]=3 99 B12R1.226 CC(=O)\C=C/C1=CC=CC(Cl)=C1 2917-5-X1 [0,1,0,0,0,0|1,0,2]=4 100 B12R1.226 CC1=CC=CC(CCC(=O)O)=C1 2721-1-03 [0,1,0,0,0,0|0,0,0]=1 101 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 2921-1-31 [0,1,0,0,0,0|0,0,2]=3 102 B12R1.226 NC1=CC=CC(CCC(=O)O)=C1 4657-1-Z7 [0,1,0,0,0,0|0,0,0]=1 103 B12R1.226 O=C(O)CCC1=CC(F)=CC=C1 2721-3-13 [0,1,0,0,0,0|0,0,0]=1 104 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 2721-9-06 [0,1,0,0,0,0|0,0,0]=1 105 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 2721-5-Y0 [0,1,0,0,0,0|0,0,0]=1 106 B12R1.226 O=C(O)CCC1=CC=CC(I)=C1 2721-H-05 [0,1,0,0,0,0|0,0,0]=1 107 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 2729-1-17 [0,1,0,0,0,0|0,0,0]=1 108 B12R1.226 O=C(O)COC1=CC=CC(F)=C1 2621-3-6R [0,1,0,0,0,0|1,0,0]=2 109 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 2921-3-03 [0,1,0,0,0,0|0,0,2]=3 110 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 2921-9-X0 [0,1,0,0,0,0|0,0,2]=3 111 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 2921-5-X0 [0,1,0,0,0,0|0,0,2]=3 112 B12R1.891 O=S(=O)(O)CCC1=CC=NC=C1 8H64-1-24 [0,1,0,0,0,0|2,0,0]=3 113 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 2717-1-Z2 [0,0,0,1,0,0|1,0,0]=2 114 B12R2.24 O=C1C=C2C=CC=CC2=CN1 4H48-1-AD [0,0,0,1,0,0|2,0,1]=4 115 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 2617-1-2B [0,0,0,1,0,0|1,0,0]=2 116 B12R2.24 O=C1CCC2=CC=CC=C2N1 4H48-1-T2 [0,0,0,1,0,0|1,0,0]=2 117 B12R2.24 O=C1COC2=CC=CN=C2N1 4H17-1-36 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.24 OC1=CC2=CC=CC=C2N=C1 4H01-1-BD [0,0,0,1,0,0|2,0,1]=4 119 B12R2.24 OC1=NC2=CC=CC=C2C=C1 4H01-1-P2 [0,0,0,1,0,0|1,0,2]=4 120 B12R2.24 OC1CCC2=CC=CC=C2C1 2602-1-08 [0,0,0,1,0,0|1,0,1]=3 121 B10R1.18 CC(=O)CC1=CC=NC=C1 4H17-1-61 [0,0,0,0,1,0|2,0,0]=3 122 B10R1.18 CC(=O)OC1=CC=CC=C1 2623-1-Y3 [0,0,0,0,1,0|2,0,0]=3 123 B10R1.18 CC(C)CC1=CC=CC=C1 1700-1-X0 [0,0,0,0,1,0|2,0,1]=4 124 B10R1.18 CN(C)CC1=CC=CC=C1 3632-1-07 [0,0,0,0,1,0|3,0,0]=4 125 B10R1.18 NC(=O)CC1=CC=CC=C1 4748-1-X7 [0,0,0,0,1,0|1,0,0]=2 126 B10R1.18 NC(=O)NC1=CC=CC=N1 4H53-1-05 [0,0,0,0,1,0|3,0,0]=4 127 B10R1.18 NC(=S)CC1=CC=CC=C1 7667-1-41 [0,0,0,0,1,0|1,1,0]=3 128 B10R1.18 NC(N)=NC1=CC=CC=C1 4655-1-V6 [0,0,0,0,1,0|3,0,0]=4 129 B10R1.18 O=C(Cl)CC1=CC=CC=C1 2716-5-04 [0,0,0,0,1,0|1,0,0]=2 130 B10R1.18 O=C(Cl)OC1=CC=CC=C1 2616-5-05 [0,0,0,0,1,0|2,0,0]=3 131 B10R1.18 O=C(O)CC1=CC=CC=N1 4H58-5-0B [0,0,0,0,1,0|1,0,0]=2 132 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-1-J9 [0,0,0,0,1,0|1,0,0]=2 133 B10R1.18 O=C(O)CC1=CC=CN=C1 4H21-5-Z8 [0,0,0,0,1,0|1,0,0]=2 134 B10R1.18 O=C(O)CC1=CC=NC=C1 4H58-5-4Y [0,0,0,0,1,0|1,0,0]=2 135 B10R1.18 O=S([O-])CC1=CC=CC=C1 6665-1-00 [0,0,0,0,1,0|1,0,1]=3 136 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 4654-1-9H [0,0,0,0,1,0|1,0,1]=3 137 B10R1.66 O=C(O)\C=C\C1=CC=CO1 2H21-1-Z9 [0,0,0,0,1,0|1,0,2]=4 138 B10R1.66 O=C(O)\C=C\C1=CC=CS1 6H21-1-Y4 [0,0,0,0,1,0|1,0,2]=4 139 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 2607-1-S4 [0,0,0,0,0,1|1,0,1]=3 140 B12R1.252 NC(=S)NCCC1=CC=CC=C1 7767-1-31 [0,0,0,0,0,1|1,1,0]=3 141 B12R1.252 O=C(O)CCCC1=CC=CC=C1 2621-1-X9 [0,0,0,0,0,1|0,0,0]=1 142 B12R1.252 O=C(O)CCCC1=CC=NC=C1 4H21-5-13 [0,0,0,0,0,1|1,0,0]=2 143 B12R1.252 O=C(O)CCOC1=CC=CC=C1 2621-1-Z8 [0,0,0,0,0,1|0,0,0]=1 144 B12R1.252 O=C(O)COCC1=CC=CC=C1 2721-1-97 [0,0,0,0,0,1|0,0,0]=1 145 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 2621-1-1R [0,0,0,0,0,1|0,0,1]=2 146 B9R1.8 BrCCC1=CC=CC=C1 1700-9-47 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.8 Br\C=C\C1=CC=CC=C1 1900-9-23 [2,0,0,0,0,0|1,0,1]=4 148 B9R1.8 CCCC1=CC=NC=C1 3H32-1-Z1 [2,0,0,0,0,0|1,0,1]=4 149 B9R1.8 CNCC1=CC=CC=C1 3631-1-X0 [2,0,0,0,0,0|1,0,1]=4 150 B9R1.8 C\C=C\C1=CC=CC=C1 1900-1-02 [2,0,0,0,0,0|1,0,1]=4 151 B9R1.8 C\C=C\C1=CC=CC=C1 1900-1-04 [2,0,0,0,0,0|1,0,1]=4 152 B9R1.8 ClCCC1=CC=CC=N1 3H32-5-CX [2,0,0,0,0,0|2,0,0]=4 153 B9R1.8 N#CCC1=CC=CC=C1 3737-1-01 [2,0,0,0,0,0|1,0,1]=4 154 B9R1.8 NCCC1=CC=CC=C1 3630-1-17 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.8 NCCC1=CC=CN=C1 3H30-1-QN [2,0,0,0,0,0|2,0,0]=4 156 B9R1.8 NCCC1=CC=NC=C1 3H30-1-V2 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 NOCC1=CC=CC=C1 4647-5-01 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 O=CNC1=CC=CC=C1 4648-1-2A [2,0,0,0,0,0|1,0,0]=3 159 B9R1.8 OCCC1=CC=CC=C1 2601-1-0U [2,0,0,0,0,0|0,0,0]=2 160 B9R1.8 OCCC1=CC=NC=C1 4H01-1-Z0 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.8 ONCC1=CC=CC=C1 4647-5-23 [2,0,0,0,0,0|1,0,0]=3 162 B9R1.8 O\N=C\C1=CC=CC=C1 4647-1-X3 [2,0,0,0,0,0|1,0,1]=4 163 B9R1.8 SCCC1=CC=CC=C1 5661-1-05 [2,0,0,0,0,0|0,1,0]=3 164 B11R1.1 C=CCCC1=CC=C(F)C=C1 1900-3-44 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.1 CCCCC1=CC=C(Br)C=C1 1700-9-W8 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.1 N#CCCC1=CC=C(Br)C=C1 3637-9-X9 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.1 N#CCCC1=CC=C(Cl)C=C1 3737-5-06 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.1 N#CCCC1=CC=C(O)C=C1 4637-1-X2 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.1 OCCCC1=CC=C(Br)C=C1 2601-9-11 [1,1,0,0,0,0|0,0,1]=3 170 B11R1.1 OCCCC1=CC=C(Cl)C=C1 2701-5-X5 [1,1,0,0,0,0|0,0,1]=3 171 B11R1.1 OCCSC1=CC=C(Cl)C=C1 6666-5-X4 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.16 CN(CCO)C1=CC=CC=C1 4632-1-0D [1,1,0,0,0,0|1,0,1]=4 173 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 4649-1-05 [1,1,0,0,0,0|1,0,1]=4 174 B11R1.16 N#CCC(O)C1=CC=CC=C1 4637-1-X0 [1,1,0,0,0,0|1,0,1]=4 175 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 2602-5-04 [1,1,0,0,0,0|1,0,1]=4 176 B11R1.17 N#CCCC1=CC=CC=C1Cl 3737-5-05 [1,1,0,0,0,0|1,0,1]=4 177 B11R1.24 C=CCCC1=CC=CC(Cl)=C1 1900-5-X4 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.24 CC1=CC=CC(CCCO)=N1 4H56-1-893 [1,1,0,0,0,0|1,0,1]=4 179 B11R1.24 N#CCCC1=CC(Br)=CC=C1 3637-9-Y0 [1,1,0,0,0,0|1,0,1]=4 180 B11R1.28 BrCCCCC1=CC=CC=C1 1700-9-Z4 [1,1,0,0,0,0|1,0,1]=4 181 B11R1.28 C#CCCCC1=CC=CC=C1 1900-1-Y0 [1,1,0,0,0,0|1,0,1]=4 182 B11R1.28 CCCCNC1=CC=CC=C1 3631-1-X4 [1,1,0,0,0,0|1,0,1]=4 183 B11R1.28 ClCCNCC1=CC=CC=C1 3731-5-X5 [1,1,0,0,0,0|1,0,1]=4 184 B11R1.28 NCCOCC1=CC=CC=C1 4756-5-X8 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.28 O=C=NCCC1=CC=CC=C1 4649-1-X7 [1,1,0,0,0,0|0,0,1]=3 186 B11R1.28 OCCCCC1=CC=CC=C1 2701-1-00 [1,1,0,0,0,0|0,0,1]=3 187 B11R1.28 OCCNCC1=CC=CC=C1 4656-1-71 [1,1,0,0,0,0|0,0,1]=3 188 B11R1.28 O\N=C\C=C\C1=CC=CC=C1 4947-1-X0 [1,1,0,0,0,0|0,0,2]=4 189 B11R1.28 S=C=NCCC1=CC=CC=C1 7768-1-37 [1,1,0,0,0,0|0,1,1]=4 190 B11R1.40 N=C(CC1=CC=CC=C1)NO 4647-1-20 [1,1,0,0,0,0|1,0,1]=4 191 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 4756-1-53 [1,1,0,0,0,0|0,0,1]=3 192 B11R1.20 CC(=O)CC1=CC=C(C)C=C1 2717-1-04 [0,1,0,0,1,0|1,0,0]=3 193 B11R1.20 CC(=O)CC1=CC=C(Cl)C=C1 2717-5-03 [0,1,0,0,1,0|1,0,0]=3 194 B11R1.20 CC(=O)CC1=CC=C(F)C=C1 2617-3-16 [0,1,0,0,1,0|1,0,0]=3 195 B11R1.20 CC(=O)NC1=CC=C(Br)C=C1 4648-9-X2 [0,1,0,0,1,0|2,0,0]=4 196 B11R1.20 CC(=O)NC1=CC=C(Cl)C=C1 4648-5-X7 [0,1,0,0,1,0|2,0,0]=4 197 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 4648-3-04 [0,1,0,0,1,0|2,0,0]=4 198 B11R1.20 CC(=O)NC1=CC=C(I)C=C1 4648-H-X1 [0,1,0,0,1,0|2,0,0]=4 199 B11R1.20 CC(=O)NC1=CC=C(N)C=C1 4648-5-63 [0,1,0,0,1,0|2,0,0]=4 200 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 4656-1-W7 [0,1,0,0,1,0|2,0,0]=4 201 B11R1.20 CC(=O)NC1=CC=C(S)C=C1 8661-1-X1 [0,1,0,0,1,0|2,0,0]=4 202 B11R1.20 CC(=O)OC1=CC=C(F)C=C1 2623-3-04 [0,1,0,0,1,0|2,0,0]=4 203 B11R1.20 CC1=CC=C(CC(=O)O)C=C1 2721-1-Z9 [0,1,0,0,1,0|0,0,0]=2 204 B11R1.20 CC1=CC=C(NC(N)=O)C=C1 4753-1-01 [0,1,0,0,1,0|2,0,0]=4 205 B11R1.20 CC1=CC=C(OC(=O)Cl)C=C1 2762-5-X0 [0,1,0,0,1,0|2,0,0]=4 206 B11R1.20 NC(=O)CC1=CC=C(F)C=C1 4648-3-1U [0,1,0,0,1,0|1,0,0]=3 207 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 4648-1-Y7 [0,1,0,0,1,0|1,0,0]=3 208 B11R1.20 NC(=O)NC1=CC=C(Br)C=C1 4648-9-03 [0,1,0,0,1,0|2,0,0]=4 209 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 4648-5-03 [0,1,0,0,1,0|2,0,0]=4 210 B11R1.20 NC(=O)NC1=CC=C(F)C=C1 4653-3-X4 [0,1,0,0,1,0|2,0,0]=4 211 B11R1.20 NC(=S)CC1=CC=C(Cl)C=C1 7767-5-13 [0,1,0,0,1,0|1,1,0]=4 212 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 4757-1-25 [0,1,0,0,1,0|0,0,0]=2 213 B11R1.20 O=C(Cl)CC1=CC=C(F)C=C1 2716-7-04 [0,1,0,0,1,0|1,0,0]=3 214 B11R1.20 O=C(Cl)OC1=CC=C(Cl)C=C1 2623-5-X6 [0,1,0,0,1,0|2,0,0]=4 215 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 2721-9-Y0 [0,1,0,0,1,0|0,0,0]=2 216 B11R1.20 O=C(O)CC1=CC=C(Cl)C=C1 2721-5-14 [0,1,0,0,1,0|0,0,0]=2 217 B11R1.20 O=C(O)CC1=CC=C(F)C=C1 2721-3-04 [0,1,0,0,1,0|0,0,0]=2 218 B11R1.20 O=C(O)CC1=CC=C(I)C=C1 2721-H-04 [0,1,0,0,1,0|0,0,0]=2 219 B11R1.20 O=C(O)CC1=CC=C(O)C=C1 2729-1-X6 [0,1,0,0,1,0|0,0,0]=2 220 B11R1.20 O=C(O)CC1=CN=C(Cl)C=C1 4H21-5-W3 [0,1,0,0,1,0|1,0,0]=3 221 B11R1.20 O=C([O-])CC1=CC=C(F)C=C1 2622-3-02 [0,1,0,0,1,0|0,0,1]=3 222 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 2921-1-X3 [0,1,0,0,1,0|0,0,1]=3 223 B11R1.36 CC(C(=O)O)C1=CC=CC=C1 2721-1-Y6 [0,1,0,0,1,0|0,0,0]=2 224 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 2621-1-R5 [0,1,0,0,1,0|0,0,0]=2 225 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 2621-1-S5 [0,1,0,0,1,0|0,0,0]=2 226 B11R1.36 NC(=O)C(O)C1=CC=CC=C1 4648-1-13 [0,1,0,0,1,0|1,0,0]=3 227 B11R1.36 NC(=O)[C@@H](N)C1=CC=CC=C1 4648-1-S0 [0,1,0,0,1,0|1,0,0]=3 228 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 4648-1-R0 [0,1,0,0,1,0|1,0,0]=3 229 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 4657-1-S2 [0,1,0,0,1,0|0,0,0]=2 230 B11R1.36 O=C(Cl)C(Cl)C1=CC=CC=C1 2716-5-Y0 [0,1,0,0,1,0|1,0,0]=3 231 B11R1.36 [C@H](O)(C(=O)O)C1=CC=CC=C1 2629-1-Z6 [0,1,0,0,1,0|0,0,0]=2 232 B11R1.86 CC(=O)NC1=C(F)C=CC=C1 4648-3-02 [0,1,0,0,1,0|2,0,0]=4 233 B11R1.86 CC(=O)NC1=CC=CC=C1Br 4648-9-X5 [0,1,0,0,1,0|2,0,0]=4 234 B11R1.86 CC(=O)NC1=CC=CC=C1C 4748-1-X5 [0,1,0,0,1,0|2,0,0]=4 235 B11R1.86 CC(=O)NC1=CC=CC=C1Cl 4648-5-X9 [0,1,0,0,1,0|2,0,0]=4 236 B11R1.86 CC(=O)NC1=CC=CC=C1N 4656-1-F1 [0,1,0,0,1,0|2,0,0]=4 237 B11R1.86 CC(=O)OC1=CC=CC=C1F 2623-3-X9 [0,1,0,0,1,0|2,0,0]=4 238 B11R1.86 CC1=CC=CC=C1CC(=O)O 2721-1-W1 [0,1,0,0,1,0|0,0,0]=2 239 B11R1.86 NC(=O)CC1=CC=CC=C1F 4648-3-0T [0,1,0,0,1,0|1,0,0]=3 240 B11R1.86 NC1=CC=CC=C1CC(=O)O 4658-1-17 [0,1,0,0,1,0|0,0,0]=2 241 B11R1.86 O=C(O)CC1=C(Br)C=CC=C1 2721-9-Y3 [0,1,0,0,1,0|0,0,0]=2 242 B11R1.86 O=C(O)CC1=C(F)C=CC=C1 2721-3-02 [0,1,0,0,1,0|0,0,0]=2 243 B11R1.86 O=C(O)CC1=C(O)C=CC=C1 2729-1-X8 [0,1,0,0,1,0|0,0,0]=2 244 B11R1.86 O=C(O)CC1=CC=CC=C1Cl 2721-5-12 [0,1,0,0,1,0|0,0,0]=2 245 B11R1.86 O=C(O)CC1=CC=CC=C1I 2721-H-X3 [0,1,0,0,1,0|0,0,0]=2 246 B11R1.157 CC(=O)CC1=CC=CC(F)=C1 2617-3-24 [0,1,0,0,1,0|1,0,0]=3 247 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 4648-3-03 [0,1,0,0,1,0|2,0,0]=4 248 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 4656-1-F0 [0,1,0,0,1,0|2,0,0]=4 249 B11R1.157 CC(=O)OC1=CC=CC(F)=C1 2623-3-03 [0,1,0,0,1,0|2,0,0]=4 250 B11R1.157 CC1=CC=CC(CC(=O)O)=C1 2721-1-W0 [0,1,0,0,1,0|0,0,0]=2 251 B11R1.157 NC(=O)NC1=CC=CC(F)=C1 4653-3-01 [0,1,0,0,1,0|2,0,0]=4 252 B11R1.157 NC(=S)CC1=CC(Cl)=CC=C1 7669-5-00 [0,1,0,0,1,0|1,1,0]=4 253 B11R1.157 NC1=CC=CC(CC(=O)O)=C1 4657-1-Z6 [0,1,0,0,1,0|0,0,0]=2 254 B11R1.157 O=C(Cl)CC1=CC(F)=CC=C1 2716-7-X9 [0,1,0,0,1,0|1,0,0]=3 255 B11R1.157 O=C(O)CC1=CC(Br)=CC=C1 2721-9-Y2 [0,1,0,0,1,0|0,0,0]=2 256 B11R1.157 O=C(O)CC1=CC(F)=CC=C1 2721-3-03 [0,1,0,0,1,0|0,0,0]=2 257 B11R1.157 O=C(O)CC1=CC(O)=CC=C1 2729-1-X7 [0,1,0,0,1,0|0,0,0]=2 258 B11R1.157 O=C(O)CC1=CC=CC(Cl)=C1 2621-5-X4 [0,1,0,0,1,0|0,0,0]=2 259 B11R1.157 O=C(O)CC1=CC=CC(I)=C1 2721-H-03 [0,1,0,0,1,0|0,0,0]=2 260 B11R1.157 O=C(O)CC1=CC=NC(Cl)=C1 4H21-5-15 [0,1,0,0,1,0|1,0,0]=3 261 B11R1.509 CS(=O)(=O)CC1=CC=CC=C1 6763-1-02 [0,1,0,0,1,0|1,0,1]=4 262 B11R1.509 O=S(=O)(Cl)CC1=CC=CC=C1 6762-5-06 [0,1,0,0,1,0|1,0,1]=4 263 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 6662-3-02 [0,1,0,0,1,0|1,0,1]=4 264 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O 4H57-1-S0 [0,1,0,0,1,0|2,0,0]=4 265 B11R1.35 N[C@H](CC1=CC=CO1)C(=O)O 4H57-1-49 [0,1,0,0,1,0|1,0,0]=3 266 B11R1.75 O=C(O)CCN1C=C(I)C=N1 4H21-H-0F [0,1,0,0,1,0|2,0,0]=4 267 B11R1.77 NC(CC(=O)O)C1=CC=CS1 8H66-1-5J [0,1,0,0,1,0|1,0,0]=3 268 B13R1.45 C[C@@H](NCC(=O)O)C1=CC=CC=C1 4657-1-RU [0,1,0,0,0,1|0,0,0]=2 269 B13R1.45 C[C@H](NCC(=O)O)C1=CC=CC=C1 4657-1-SU [0,1,0,0,0,1|0,0,0]=2 270 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 2629-1-33 [0,1,0,0,0,1|0,0,0]=2 271 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 4648-1-03 [0,1,0,0,0,1|0,0,1]=3 272 B13R1.149 O=C(O)CCOC1=CC=CC(F)=C1 2621-3-6T [0,1,0,0,0,1|0,0,0]=2 273 B13R1.158 O=C(O)CCNC1=C(F)C=CC=C1 4657-3-62 [0,1,0,0,0,1|0,0,0]=2 274 B13R1.158 O=C(O)CCOC1=CC=CC=C1F 2721-3-18 [0,1,0,0,0,1|0,0,0]=2 275 B13R1.158 O=C(O)CSCC1=CC=CC=C1F 6666-3-27 [0,1,0,0,0,1|0,0,0]=2 276 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O 4757-1-31 [0,1,0,0,0,1|0,0,0]=2 277 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O 4757-1-32 [0,1,0,0,0,1|0,0,0]=2 278 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00 [0,1,0,0,0,1|0,0,0]=2 279 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 2729-1-00H [0,1,0,0,0,1|0,0,0]=2 280 B13R1.513 O=C(O)CCCC1=CC=C(Br)C=C1 2721-9-02 [0,1,0,0,0,1|0,0,0]=2 281 B13R1.513 O=C(O)CCOC1=CC=C(Cl)C=C1 2621-5-1D [0,1,0,0,0,1|0,0,0]=2 282 B13R1.513 O=C(O)CCOC1=CC=C(F)C=C1 2621-3-48 [0,1,0,0,0,1|0,0,0]=2 283 B13R1.513 O=C(O)CCSC1=CC=C(F)C=C1 6666-3-02 [0,1,0,0,0,1|0,0,0]=2 284 B13R1.718 CC(CO)COCC1=CC=CC=C1 2707-1-09 [0,1,0,0,0,1|1,0,1]=4 285 B13R1.718 COC(=O)CNCC1=CC=CC=C1 4656-1-9M [0,1,0,0,0,1|0,0,0]=2 286 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 7767-1-30 [0,1,0,0,0,1|1,1,0]=4 287 B13R1.718 OCC(O)COCC1=CC=CC=C1 2707-1-16 [0,1,0,0,0,1|0,0,2]=4 288 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 2721-1-32 [0,2,0,0,0,0|0,0,0]=2 289 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 2721-1-40 [0,2,0,0,0,0|0,0,0]=2 290 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 2921-1-Y4 [0,2,0,0,0,0|0,0,2]=4 291 B13R1.3 CSC1=CC=C(CCC(=O)O)C=C1 6766-1-02 [0,2,0,0,0,0|0,0,0]=2 292 B13R1.3 N#CC1=CC=C(NCC(=O)O)C=C1 4658-1-6Q [0,2,0,0,0,0|1,0,0]=3 293 B13R1.3 N#CC1=CC=C(\C=C\C(=O)O)C=C1 4937-1-Z8 [0,2,0,0,0,0|0,0,2]=4 294 B13R1.3 O=C(O)COC1=CC=C(CO)C=C1 2729-1-39 [0,2,0,0,0,0|1,0,0]=3 295 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 2621-1-1T [0,2,0,0,0,0|1,0,0]=3 296 B13R1.14 COC(=O)CCC1=CC=C(O)C=C1 2629-1-3N [0,2,0,0,0,0|0,0,0]=2 297 B13R1.14 COC(=O)\C=C\C1=CC=C(Br)C=C1 2923-9-X1 [0,2,0,0,0,0|0,0,2]=4 298 B13R1.14 COC(=O)\C=C\C1=CC=C(Cl)C=C1 2921-5-11 [0,2,0,0,0,0|0,0,2]=4 299 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 2929-1-X3 [0,2,0,0,0,0|0,0,2]=4 300 B13R1.14 NNC(=O)COC1=CC=C(Cl)C=C1 4639-5-08 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.14 NNC(=O)COC1=CC=C(F)C=C1 4656-3-16 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.14 NNC(=O)CSC1=CC=C(Cl)C=C1 8666-5-04 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.14 O=C(CBr)NCC1=CC=C(Cl)C=C1 4648-D-0G [0,2,0,0,0,0|2,0,0]=4 304 B13R1.14 O=C(CCl)NCC1=CC=C(F)C=C1 4648-7-05 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.132 CC1=CC=C(C(N)CC(=O)O)C=C1 4757-1-1G [0,2,0,0,0,0|0,0,0]=2 306 B13R1.132 NC(CC(=O)O)C1=CC=C(Br)C=C1 4657-9-06 [0,2,0,0,0,0|0,0,0]=2 307 B13R1.132 NC(CC(=O)O)C1=CC=C(Cl)C=C1 4657-5-09 [0,2,0,0,0,0|0,0,0]=2 308 B13R1.132 NC(CC(=O)O)C1=CC=C(O)C=C1 4657-1-51 [0,2,0,0,0,0|0,0,0]=2 309 B13R1.133 CC(CC1=CC=C(Br)C=C1)C(=O)O 2721-9-X3 [0,2,0,0,0,0|0,0,0]=2 310 B13R1.133 CC1=CC=C(C[C@@H](N)C(=O)O)C=C1 4757-1-36 [0,2,0,0,0,0|0,0,0]=2 311 B13R1.133 CC1=CC=C(C[C@H](N)C(=O)O)C=C1 4757-1-35 [0,2,0,0,0,0|0,0,0]=2 312 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 4757-3-04 [0,2,0,0,0,0|0,0,0]=2 313 B13R1.133 N[C@@H](CC1=CC=C(Br)C=C1)C(=O)O 4757-9-02 [0,2,0,0,0,0|0,0,0]=2 314 B13R1.133 N[C@@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-S1 [0,2,0,0,0,0|0,0,0]=2 315 B13R1.133 N[C@@H](CC1=CC=C(F)C=C1)C(=O)O 4757-3-14 [0,2,0,0,0,0|0,0,0]=2 316 B13R1.133 N[C@@H](CC1=CC=C(I)C=C1)C(=O)O 4657-H-S1 [0,2,0,0,0,0|0,0,0]=2 317 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 4757-1-X2 [0,2,0,0,0,0|0,0,0]=2 318 B13R1.133 N[C@H](CC1=CC=C(Cl)C=C1)C(=O)O 4657-5-R1 [0,2,0,0,0,0|0,0,0]=2 319 B13R1.133 N[C@H](CC1=CC=C(F)C=C1)C(=O)O 4657-3-X0 [0,2,0,0,0,0|0,0,0]=2 320 B13R1.133 O=C(O)[C@@H](O)CC1=CC=C(Br)C=C1 2629-9-S1 [0,2,0,0,0,0|0,0,0]=2 321 B13R1.164 CC1=CC(F)=CC=C1\C=C\C(=O)O 2921-3-0C [0,2,0,0,0,0|0,0,2]=4 322 B13R1.164 CC1=CC=C(CCC(=O)O)C(C)=C1 2721-1-18 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.164 O=C(Cl)COC1=CC=C(Cl)C=C1Cl 2616-5-X2 [0,2,0,0,0,0|2,0,0]=4 324 B13R1.164 O=C(O)CCC1=C(F)C=C(Cl)C=C1 2621-7-36 [0,2,0,0,0,0|0,0,0]=2 325 B13R1.164 O=C(O)CCC1=CC=C(Cl)C=C1Cl 2721-5-08 [0,2,0,0,0,0|0,0,0]=2 326 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1F 2621-3-94 [0,2,0,0,0,0|0,0,0]=2 327 B13R1.164 O=C(O)COC1=CC=C(Br)C=C1Br 2621-9-07 [0,2,0,0,0,0|1,0,0]=3 328 B13R1.164 O=C(O)\C=C\C1=C(Br)C=C(F)C=C1 2921-B-X0 [0,2,0,0,0,0|0,0,2]=4 329 B13R1.164 O=C(O)\C=C\C1=C(Cl)C=C(Cl)C=C1 2921-5-X3 [0,2,0,0,0,0|0,0,2]=4 330 B13R1.164 O=C(O)\C=C\C1=CC=C(Br)C=C1F 2921-B-03 [0,2,0,0,0,0|0,0,2]=4 331 B13R1.164 O=C(O)\C=C\C1=CC=C(Cl)C=C1F 2921-7-04 [0,2,0,0,0,0|0,0,2]=4 332 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1Cl 2921-7-X1 [0,2,0,0,0,0|0,0,2]=4 333 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1F 2921-3-24 [0,2,0,0,0,0|0,0,2]=4 334 B13R1.164 O=C(O)\C=C\C1=CC=C(F)C=C1F 2921-3-90 [0,2,0,0,0,0|0,0,2]=4 335 B13R1.511 CC1=CC(\C=C\C(=O)O)=CC=C1F 2921-3-42 [0,2,0,0,0,0|0,0,2]=4 336 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1C 2721-1-21 [0,2,0,0,0,0|0,0,0]=2 337 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1F 2721-3-61 [0,2,0,0,0,0|0,0,0]=2 338 B13R1.511 CC1=CC=C(\C=C\C(=O)O)C=C1F 2921-3-32 [0,2,0,0,0,0|0,0,2]=4 339 B13R1.511 O=C(O)CCC1=CC(F)=C(F)C=C1 2721-3-X0 [0,2,0,0,0,0|0,0,0]=2 340 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(Cl)=C1 2721-5-10 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.511 O=C(O)CCC1=CC=C(Cl)C(F)=C1 2621-7-38 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.511 O=C(O)CCC1=CC=C(F)C(Cl)=C1 2621-7-33 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.511 O=C(O)\C=C\C1=CC(Cl)=C(Cl)C=C1 2921-5-X4 [0,2,0,0,0,0|0,0,2]=4 344 B13R1.511 O=C(O)\C=C\C1=CC=C(Cl)C(F)=C1 2921-7-02 [0,2,0,0,0,0|0,0,2]=4 345 B13R1.511 O=C(O)\C=C\C1=CC=C(F)C(Br)=C1 2921-B-01 [0,2,0,0,0,0|0,0,2]=4 346 B13R1.511 O=C(O)\C=C\C1=CC=C(F)C(Cl)=C1 2921-7-01 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.511 O=C(O)\C=C\C1=CC=C(F)C(F)=C1 2921-3-34 [0,2,0,0,0,0|0,0,2]=4 348 B13R1.511 O=C(O)\C=C\C1=CC=C(O)C(O)=C1 2929-1-05 [0,2,0,0,0,0|0,0,2]=4 349 B13R1.11 COC(=O)CC(=O)C1=CC=CN=C1 4H56-1-1Y [0,2,0,0,0,0|1,0,1]=4 350 B13R1.15 COC(=O)\C=C\C1=CC=CC(F)=C1 2924-3-03 [0,2,0,0,0,0|0,0,2]=4 351 B13R1.42 CCOC(=O)CNC1=CC=CC=C1 4658-1-0M [0,2,0,0,0,0|1,0,0]=3 352 B13R1.42 CCOC(=O)COC1=CC=CN=C1 4H23-1-HC [0,2,0,0,0,0|2,0,0]=4 353 B13R1.42 CCOC(=O)CSC1=CC=CC=C1 6666-1-17 [0,2,0,0,0,0|1,0,0]=3 354 B13R1.42 N#CCC(=O)NCC1=CC=CC=C1 4648-1-X2 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.42 N#CCC(=O)OCC1=CC=CC=C1 4637-1-P5 [0,2,0,0,0,0|2,0,0]=4 356 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 4758-5-01 [0,2,0,0,0,0|0,0,0]=2 357 B13R1.528 NNC(=O)COC1=CC=CC=C1Cl 4645-5-X0 [0,2,0,0,0,0|2,0,0]=4 358 B13R1.148 CC1=CC(CC(N)C(=O)O)=CC=C1 4757-1-00 [0,2,0,0,0,0|0,0,0]=2 359 B13R1.148 NC(CC1=CC=CC(Br)=C1)C(=O)O 4657-9-0F [0,2,0,0,0,0|0,0,0]=2 360 B13R1.148 NC(CC1=CC=CC(F)=C1)C(=O)O 4757-3-06 [0,2,0,0,0,0|0,0,0]=2 361 B13R1.148 N[C@@H](CC1=CC(Br)=CC=C1)C(=O)O 4757-9-S1 [0,2,0,0,0,0|0,0,0]=2 362 B13R1.148 N[C@@H](CC1=CC(F)=CC=C1)C(=O)O 4757-3-13 [0,2,0,0,0,0|0,0,0]=2 363 B13R1.148 N[C@H](CC1=CC(Br)=CC=C1)C(=O)O 4657-9-R0 [0,2,0,0,0,0|0,0,0]=2 364 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 4757-3-12 [0,2,0,0,0,0|0,0,0]=2 365 B13R1.202 N[C@@H](CC1=CC=CC=C1Br)C(=O)O 4757-9-S0 [0,2,0,0,0,0|0,0,0]=2 366 B13R1.202 N[C@@H](CC1=CC=CC=C1Cl)C(=O)O 4757-5-04 [0,2,0,0,0,0|0,0,0]=2 367 B13R1.202 N[C@H](CC1=C(F)C=CC=C1)C(=O)O 4757-3-R2 [0,2,0,0,0,0|0,0,0]=2 368 B13R1.202 N[C@H](CC1=CC=CC=C1Br)C(=O)O 4757-9-R0 [0,2,0,0,0,0|0,0,0]=2 369 B13R1.147 NC(CC(=O)O)C1=CC=CC(Br)=C1 4657-9-11 [0,2,0,0,0,0|0,0,0]=2 370 B13R1.147 NC(CC(=O)O)C1=CC=CC(F)=C1 4657-3-X1 [0,2,0,0,0,0|0,0,0]=2 371 B13R1.147 NC(CC(=O)O)C1=CC=CC(O)=C1 4657-1-30 [0,2,0,0,0,0|0,0,0]=2 372 B13R1.201 NC(CC(=O)O)C1=C(Br)C=CC=C1 4657-9-16 [0,2,0,0,0,0|0,0,0]=2 373 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Cl 4657-5-36 [0,2,0,0,0,0|0,0,0]=2 374 B13R1.347 CC(=O)CS(=O)(=O)C1=CC=CC=C1 6663-1-X6 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.347 O=C(O)CS(=O)(=O)C1=CC=CC=C1 6663-1-02 [0,2,0,0,0,0|1,0,0]=3 376 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 4657-1-1V [0,2,0,0,0,0|0,0,0]=2 377 B13R1.713 NCC(CC(=O)O)C1=CC=CC=C1 4757-5-X1 [0,2,0,0,0,0|0,0,0]=2 378 B13R1.90 COC1=C(OCC(=O)O)C=CC=C1 2621-1-0T [0,2,0,0,0,0|1,0,0]=3 379 B13R1.90 COC1=CC=CC=C1CCC(=O)O 2721-1-38 [0,2,0,0,0,0|0,0,0]=2 380 B13R1.90 COC1=CC=CC=C1\C=C\C(=O)O 2921-1-01 [0,2,0,0,0,0|0,0,2]=4 381 B13R1.150 CC1=C(\C=C\C(=O)O)C=CC=C1F 2921-3-30 [0,2,0,0,0,0|0,0,2]=4 382 B13R1.150 CC1=CC=CC(OCC(=O)O)=C1C 2721-1-Y0 [0,2,0,0,0,0|1,0,0]=3 383 B13R1.150 O=C(O)CCC1=C(F)C(Cl)=CC=C1 2621-7-31 [0,2,0,0,0,0|0,0,0]=2 384 B13R1.150 O=C(O)CCC1=C(F)C(F)=CC=C1 2621-3-92 [0,2,0,0,0,0|0,0,0]=2 385 B13R1.150 O=C(O)CCC1=CC=CC(Cl)=C1Cl 2721-5-07 [0,2,0,0,0,0|0,0,0]=2 386 B13R1.150 O=C(O)COC1=CC=CC(Cl)=C1Cl 2621-5-10 [0,2,0,0,0,0|1,0,0]=3 387 B13R1.150 O=C(O)\C=C\C1=CC=CC(Cl)=C1F 2921-7-X2 [0,2,0,0,0,0|0,0,2]=4 388 B13R1.150 O=C(O)\C=C\C1=CC=CC(F)=C1F 2921-3-23 [0,2,0,0,0,0|0,0,2]=4 389 B13R1.893 CC1=CC=C(C)C(CCC(=O)O)=C1 2721-1-19 [0,2,0,0,0,0|0,0,0]=2 390 B13R1.893 CC1=CC=C(F)C(\C=C\C(=O)O)=C1 2921-3-21 [0,2,0,0,0,0|0,0,2]=4 391 B13R1.893 CC1=CC=C(F)C=C1\C=C\C(=O)O 2921-3-44 [0,2,0,0,0,0|0,0,2]=4 392 B13R1.893 O=C(O)CCC1=CC(F)=CC=C1F 2621-3-95 [0,2,0,0,0,0|0,0,0]=2 393 B13R1.893 O=C(O)\C=C\C1=C(Br)C=CC(F)=C1 2921-B-04 [0,2,0,0,0,0|0,0,2]=4 394 B13R1.893 O=C(O)\C=C\C1=CC(Br)=CC=C1F 2921-B-02 [0,2,0,0,0,0|0,0,2]=4 395 B13R1.893 O=C(O)\C=C\C1=CC(Cl)=CC=C1Cl 2921-5-X1 [0,2,0,0,0,0|0,0,2]=4 396 B13R1.893 O=C(O)\C=C\C1=CC(F)=CC=C1F 2921-3-25 [0,2,0,0,0,0|0,0,2]=4 397 B13R1.3787 CC1=CC=CC(C)=C1CCC(=O)O 2721-1-20 [0,2,0,0,0,0|0,0,0]=2 398 B13R1.3787 O=C(O)CCC1=C(Cl)C=CC=C1Cl 2721-5-09 [0,2,0,0,0,0|0,0,0]=2 399 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1Cl 2921-7-X0 [0,2,0,0,0,0|0,0,2]=4 400 B13R1.3787 O=C(O)\C=C\C1=C(F)C=CC=C1F 2921-3-26 [0,2,0,0,0,0|0,0,2]=4 401 B13R1.643 COC1=CC=CC(CCC(=O)O)=C1 2721-1-39 [0,2,0,0,0,0|0,0,0]=2 402 B13R1.643 COC1=CC=CC(\C=C\C(=O)O)=C1 2921-1-X7 [0,2,0,0,0,0|0,0,2]=4 403 B13R1.3420 CC1=CC(\C=C\C(=O)O)=CC(F)=C1 2921-3-33 [0,2,0,0,0,0|0,0,2]=4 404 B13R1.3420 O=C(O)CCC1=CC(Cl)=CC(F)=C1 2621-7-34 [0,2,0,0,0,0|0,0,0]=2 405 B13R1.3420 O=C(O)CCC1=CC(F)=CC(F)=C1 2621-3-99 [0,2,0,0,0,0|0,0,0]=2 406 B13R1.3420 O=C(O)\C=C\C1=CC(Cl)=CC(F)=C1 2921-7-08 [0,2,0,0,0,0|0,0,2]=4 407 B13R1.3420 O=C(O)\C=C\C1=CC(F)=CC(F)=C1 2921-3-35 [0,2,0,0,0,0|0,0,2]=4 408 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 2921-1-0F [0,0,1,1,0,0|0,0,2]=4 409 B11R1.266 C=CC1=CC(C(=O)O)=CC=C1 2921-1-0B [0,0,1,1,0,0|0,0,2]=4 410 B11R2.1 NC1CCC2=CC=CC=C21 3630-5-X0 [1,0,0,1,0,0|1,0,1]=4 411 B11R2.1 NC1CCC2=CC=CC=C21 3730-1-47 [1,0,0,1,0,0|1,0,1]=4 412 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 3730-5-Z1 [1,0,0,1,0,0|1,0,1]=4 413 B11R2.1 O=C1CCC2=C1C=CC=C2 2717-1-01 [1,0,0,1,0,0|0,0,0]=2 414 B11R2.1 O=C1COC2=CC=CC=C12 2H17-1-X3 [1,0,0,1,0,0|1,0,0]=3 415 B11R2.1 O=C1NCC2=CC=CC=C12 4H48-1-13 [1,0,0,1,0,0|1,0,0]=3 416 B11R2.1 O=C1NSC2=C1C=CC=C2 8H70-1-6E [1,0,0,1,0,0|2,0,0]=4 417 B11R2.1 OB1OCC2=CC=CC=C12 6H60-1-V8 [1,0,0,1,0,0|2,0,0]=4 418 B11R2.1 OC1=NNC2=CC=CC=C21 4H56-1-3A [1,0,0,1,0,0|2,0,0]=4 419 B11R2.1 OC1=NOC2=CC=CC=C21 4H01-1-Y0 [1,0,0,1,0,0|2,0,0]=4 420 B11R2.1 OC1CCC2=CC=CC=C21 2701-1-05 [1,0,0,1,0,0|0,0,1]=3 421 B11R2.20 C1=CC2=C(C=C1)OCCN2 P311-A-27 [1,0,0,1,0,0|1,0,1]=4 422 B11R2.20 C1=CC=C2CNCCC2=C1 3H31-1-X4 [1,0,0,1,0,0|2,0,0]=4 423 B11R2.20 C1=CC=C2COCCC2=C1 2H10-1-X8 [1,0,0,1,0,0|2,0,0]=4 424 B11R2.20 C1=CC=C2NCCCC2=C1 3H31-1-P9 [1,0,0,1,0,0|1,0,1]=4 425 B11R2.20 C1=CC=C2OCCOC2=C1 2H10-1-X0 [1,0,0,1,0,0|1,0,1]=4 426 B11R2.10 BrC1=CC2=CC=CC=C2C1 1900-9-X4 [0,0,0,1,1,0|2,0,0]=4 427 B11R2.10 ClC1=NC2=CC=CC=C2O1 4H56-5-K6 [0,0,0,1,1,0|2,0,0]=4 428 B11R2.10 NC1=NC2=CC=CC=C2O1 4H30-1-U3 [0,0,0,1,1,0|2,0,0]=4 429 B11R2.10 O=C1CC2=C(C=CC=C2)N1 4H48-1-F6 [0,0,0,1,1,0|1,0,0]=3 430 B11R2.10 O=C1CC2=CC=CC=C2C1 2717-1-85 [0,0,0,1,1,0|1,0,0]=3 431 B11R2.10 O=C1CC2=CC=CC=C2O1 2H25-1-44 [0,0,0,1,1,0|0,0,0]=2 432 B11R2.10 O=C1CC2=CC=CN=C2N1 4H48-1-JF [0,0,0,1,1,0|2,0,0]=4 433 B11R2.10 O=C1CC2=CC=CN=C2N1 4H48-5-4Z [0,0,0,1,1,0|2,0,0]=4 434 B11R2.10 O=C1NC2=CC=CC=C2O1 4H56-1-QG [0,0,0,1,1,0|1,0,0]=3 435 B11R2.10 OC1=NC2=CC=CC=C2N1 4H01-1-N9 [0,0,0,1,1,0|2,0,0]=4 436 B11R2.10 OC1CC2=CC=CC=C2C1 2701-1-X7 [0,0,0,1,1,0|1,0,1]=4 437 B13R2.10 O=C1CC(C2=CC=CC=C2)CN1 4H48-1-FA [0,0,0,1,0,1|1,0,0]=3 438 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 4H56-1-S6 [0,0,0,1,0,1|1,0,0]=3 439 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CO1 G311-A-06 [0,0,0,1,0,1|1,0,0]=3 440 B13R2.31 OC1CN(CC2=CC=CC=C2)C1 4H56-1-LL [0,0,0,1,0,1|1,0,1]=4 441 B13R2.72 CC(=O)N1CCC2=CC=CC=C21 4H17-1-0U [0,0,0,1,0,1|1,0,0]=3 442 B13R2.72 O=C(O)C1=C2C=CC=CC2=NO1 4H21-1-XT [0,0,0,1,0,1|1,0,1]=4 443 B13R2.72 O=C(O)C1=CCC2=CC=CC=C21 2921-1-X2 [0,0,0,1,0,1|0,0,1]=3 444 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 4H21-1-W5 [0,0,0,1,0,1|0,0,2]=4 445 B13R2.72 O=C(O)C1=COC2=CC=CC=C21 2H21-1-X5 [0,0,0,1,0,1|0,0,2]=4 446 B13R2.72 O=C(O)C1=CSC2=CC=CC=C21 6H21-1-21 [0,0,0,1,0,1|0,0,2]=4 447 B13R2.72 O=C(O)C1=NNC2=CC=CC=C21 4H21-1-XL [0,0,0,1,0,1|1,0,1]=4 448 B13R2.72 O=C(O)C1CCC2=CC=CC=C21 2621-1-91 [0,0,0,1,0,1|0,0,0]=2 449 B13R2.2382 C1=CC=C(COC[C@@H]2CO2)C=C1 2609-1-S0 [0,0,0,1,0,1|1,0,1]=4 450 B13R2.2382 C1=CC=C(COC[C@H]2CO2)C=C1 2609-1-R0 [0,0,0,1,0,1|1,0,1]=4 451 B13R2.155 CC1=CC=C2C=CC(=O)OC2=C1 2H25-1-07 [0,1,0,1,0,0|0,0,2]=4 452 B13R2.155 NC1=CC=C2OCC(=O)NC2=C1 4H48-1-EQ [0,1,0,1,0,0|2,0,0]=4 453 B13R2.155 O=C1COC2=C(C=C(Br)C=C2)N1 4H48-9-2W [0,1,0,1,0,0|2,0,0]=4 454 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)N1 4H48-5-V2 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.32 CC1CCC2=CC=CC=C2C1=O 2617-1-2L [0,1,0,1,0,0|1,0,1]=4 456 B13R2.57 OCC1CCC2=CC=CC=C2O1 2H10-1-X6 [0,1,0,1,0,0|0,0,2]=4 457 B13R2.369 CC1OC2=CC=CC=C2NC1=O 4H48-1-QR [0,1,0,1,0,0|2,0,0]=4 458 B13R2.435 O=C(O)C1=CC2=CC=CC=C2N1 4H21-1-G4 [0,1,0,1,0,0|0,0,2]=4 459 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 2H21-1-08 [0,1,0,1,0,0|0,0,2]=4 460 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 6H21-1-Y8 [0,1,0,1,0,0|0,0,2]=4 461 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 4H21-1-88 [0,1,0,1,0,0|1,0,1]=4 462 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 P911-A-34 [0,1,0,1,0,0|1,0,1]=4 463 B13R2.435 O=C(O)C1CC2=CC=CC=C2C1 2721-1-W4 [0,1,0,1,0,0|0,0,0]=2 464 B13R2.435 O=C(O)C1CC2=CC=CC=C2N1 4H21-1-X7 [0,1,0,1,0,0|0,0,0]=2 465 B13R2.435 O=C(O)C1CC2=CC=CC=C2O1 2H21-1-Z0 [0,1,0,1,0,0|0,0,0]=2 466 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 2H25-1-12 [0,1,0,1,0,0|0,0,2]=4 467 B13R2.5179 NC1=CC=CC2=C1OCC(=O)N2 4H48-1-M8 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3683 CC1=CC2=C(C=C1)NC(=O)CS2 8H48-1-1C [0,1,0,1,0,0|2,0,0]=4 469 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2C1 2717-9-X1 [0,1,0,1,0,0|1,0,0]=3 470 B13R2.3683 O=C1CCC2=CC(Br)=CC=C2N1 4H48-9-Z6 [0,1,0,1,0,0|1,0,0]=3 471 B13R2.3683 O=C1CCC2=CC(Br)=CN=C2N1 4H17-9-25 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.3683 O=C1CCC2=CC(O)=CC=C2C1 2H20-1-X1 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.6 CC(=O)C1=CC=NC=C1 4H17-1-Y2 [0,0,0,0,2,0|2,0,0]=4 474 B9R1.6 C[C@@H](O)C1=CC=CC=C1 2602-1-R0 [0,0,0,0,2,0|1,0,1]=4 475 B9R1.6 C[C@H](O)C1=CC=CC=C1 2602-1-S0 [0,0,0,0,2,0|1,0,1]=4 476 B9R1.6 N=C(N)C1=CC=CC=C1 4641-5-X2 [0,0,0,0,2,0|2,0,0]=4 477 B9R1.6 NC(=O)C1=CC=NC=C1 4H48-1-0P [0,0,0,0,2,0|2,0,0]=4 478 B9R1.6 O=C(Cl)C1=CC=CC=C1 2616-5-01 [0,0,0,0,2,0|1,0,0]=3 479 B9R1.6 O=C(Cl)C1=CC=CC=N1 4H16-5-Z7 [0,0,0,0,2,0|2,0,0]=4 480 B9R1.6 O=C(Cl)C1=CC=CN=C1 4H32-5-22 [0,0,0,0,2,0|2,0,0]=4 481 B9R1.6 O=C(Cl)C1=CC=NC=C1 4H16-5-X2 [0,0,0,0,2,0|2,0,0]=4 482 B9R1.6 O=C(O)C1=CC=CC=C1 2621-1-21 [0,0,0,0,2,0|0,0,0]=2 483 B9R1.6 O=C(O)C1=CC=CC=N1 4H21-1-01 [0,0,0,0,2,0|1,0,0]=3 484 B9R1.6 O=C(O)C1=CC=CN=N1 P311-A-02 [0,0,0,0,2,0|2,0,0]=4 485 B9R1.6 O=C(O)C1=CC=NC=C1 4H21-1-04 [0,0,0,0,2,0|1,0,0]=3 486 B9R1.6 O=C(O)C1=CC=NN=C1 4H21-1-A6 [0,0,0,0,2,0|2,0,0]=4 487 B9R1.6 O=C(O)C1=CN=CC=N1 4H21-1-02 [0,0,0,0,2,0|2,0,0]=4 488 B9R1.6 O=C(O)C1=CN=CN=C1 P612-A-89 [0,0,0,0,2,0|2,0,0]=4 489 B9R1.6 O=C(O)C1=NC=CC=N1 4H56-1-X8 [0,0,0,0,2,0|2,0,0]=4 490 B9R1.6 O=C(O)C1=NC=NC=C1 P311-A-59 [0,0,0,0,2,0|2,0,0]=4 491 B9R1.6 OB(O)C1=CC=CC=C1 P612-A-71 [0,0,0,0,2,0|1,0,1]=4 492 B9R1.13 O=C(Cl)CC1=CC=CS1 6H16-5-X2 [0,0,0,0,2,0|2,0,0]=4 493 B9R1.13 O=C(O)CC1=CC=CS1 6H21-1-X5 [0,0,0,0,2,0|1,0,0]=3 494 B9R1.13 O=C(O)CC1=CNC=N1 4H58-5-7S [0,0,0,0,2,0|2,0,0]=4 495 B9R1.13 O=C(O)CC1=CSC=C1 6H21-1-Y1 [0,0,0,0,2,0|1,0,0]=3 496 B9R1.13 O=C(O)CN1C=CN=C1 4H21-1-52 [0,0,0,0,2,0|2,0,0]=4 497 B13R1.337 NC(=S)NCCCC1=CC=CC=C1 7767-1-32 [0,0,0,0,0,2|1,1,0]=4