0 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 CNC(=O)CC1=CN=CC=C1 C71252 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.40 CNC(=O)OC1=CC=CC=C1 C10489 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 COC(=O)CC1=CN=CC=C1 31754 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.40 NCC(=O)CC1=CC=CC=C1 A10565 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.40 NNC(=O)CC1=CC=NC=C1 25064 [0,0,0,0,0,0|3,0,1]=4 9 B11R1.40 NNC(=O)OC1=CC=CC=C1 Y11606 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.40 N[C@H](CO)CC1=NC=CC=C1 Y13025 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.40 N\C(CC1=CC=CC=C1)=N/O W18702 [0,0,0,0,0,0|2,0,2]=4 12 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Y10931 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [1,0,0,0,0,0|2,0,0]=3 15 B10R1.17 CCCOC1=CC=CC=C1 C75927 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CCNCC1=CC=CC=C1 D77748 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 CNNCC1=CC=CC=C1 30192 [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 CNNCC1=CC=CN=C1 30189 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.17 N#CCCC1=CC=NC=C1 P16939 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.17 NCCCC1=CC=CN=C1 31799 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.17 NCCCC1=CC=NC=C1 S12068 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.17 SCCCC1=CC=NC=C1 F18251 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [1,0,0,0,0,0|0,0,2]=3 26 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,0,0|2,0,1]=4 27 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.18 CC(C)NC1=NC=CC=N1 C75128 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,0,0,0,0,0|1,0,0]=2 30 B10R1.18 FC(F)SC1=CC=CC=C1 I11988 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [1,0,0,0,0,0|1,0,1]=3 33 B12R1.32 C#CCN(C)CC1=CC=CC=C1 29243 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,0,0|1,0,0]=2 37 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.34 CNC(=O)[C@H](N)C1=CC=CC=C1 AB10122 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.34 CNC(=O)[C@H](O)C1=CC=CC=C1 D83930 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.34 COC(=O)[C@H](C)C1=CC=CC=C1 W18371 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.34 COC(=O)[C@H](F)C1=CC=CC=C1 O11875 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.43 CN(C)C(=O)NC1=CC=CC=C1 F10253 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [0,1,0,0,0,0|3,0,0]=4 45 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [0,1,0,0,0,0|3,0,0]=4 47 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [0,1,0,0,0,0|3,0,0]=4 48 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [0,1,0,0,0,0|3,0,0]=4 49 B12R1.49 CC1=CC=C(CC(=O)NN)C=C1 W18215 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.49 CC1=CC=C(O[C@@H](C)CN)C=C1 AR3806 [0,1,0,0,0,0|3,0,0]=4 51 B12R1.49 CCC(=O)CC1=CC=C(Br)C=C1 79685 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.49 CCC(=O)CC1=CC=C(C)C=C1 N12572 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.49 CCC(=O)CC1=CC=C(F)C=C1 N14142 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.49 CNC(=S)NC1=CC=C(Br)C=C1 F19872 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3803 [0,1,0,0,0,0|3,0,0]=4 56 B12R1.49 C[C@@H](CN)OC1=CC=C(F)C=C1 AR3971 [0,1,0,0,0,0|3,0,0]=4 57 B12R1.49 NC1=CC=C(C[C@H](N)CO)C=C1 Y11490 [0,1,0,0,0,0|3,0,0]=4 58 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 C78431 [0,1,0,0,0,0|3,0,0]=4 59 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 32524 [0,1,0,0,0,0|3,0,0]=4 60 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N10806 [0,1,0,0,0,0|3,0,0]=4 61 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 N11400 [0,1,0,0,0,0|3,0,0]=4 62 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11305 [0,1,0,0,0,0|3,0,0]=4 63 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 N11306 [0,1,0,0,0,0|3,0,0]=4 64 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 Y11195 [0,1,0,0,0,0|3,0,0]=4 65 B12R1.50 CC1=CC=CC(C[C@H](N)CO)=C1 C78158 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.50 CCC(=O)CC1=CC(C)=CC=C1 N14166 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.50 NNC(=O)CC1=CC=CC(Cl)=C1 C78389 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11151 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.50 N[C@H](CO)CC1=CC=CC(Cl)=C1 N11309 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11126 [0,1,0,0,0,0|3,0,0]=4 72 B12R1.50 N[C@H](CO)CC1=CC=CC(F)=C1 N11310 [0,1,0,0,0,0|3,0,0]=4 73 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,1,0,0,0,0|0,0,0]=1 74 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,1,0,0,0,0|2,0,0]=3 75 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,1,0,0,0,0|2,0,0]=3 76 B12R1.194 NNS(=O)(=O)CC1=CC=CC=C1 D83334 [0,1,0,0,0,0|3,0,0]=4 77 B12R1.371 CCC(=O)CC1=C(F)C=CC=C1 N14134 [0,1,0,0,0,0|2,0,1]=4 78 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 W10824 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.371 COC(=O)CC1=C(I)C=CC=C1 D93618 [0,1,0,0,0,0|2,0,1]=4 80 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 26282 [0,1,0,0,0,0|2,0,1]=4 81 B12R1.371 COC(=O)CC1=C(N)C=CC=C1 35782 [0,1,0,0,0,0|2,0,1]=4 82 B12R1.371 C[C@@H](CN)OC1=C(Cl)C=CC=C1 AR3974 [0,1,0,0,0,0|3,0,0]=4 83 B12R1.371 NNC(=O)CC1=C(Br)C=CC=C1 AB10425 [0,1,0,0,0,0|2,0,1]=4 84 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N10850 [0,1,0,0,0,0|3,0,0]=4 85 B12R1.371 N[C@H](CO)CC1=C(F)C=CC=C1 N11125 [0,1,0,0,0,0|3,0,0]=4 86 B12R2.18 CC1=C2C=CC=CC2=NN1C D83537 [0,0,0,1,0,0|3,0,0]=4 87 B12R2.18 CC1=NC2=C(C=CC=C2)N1C T70720 [0,0,0,1,0,0|1,0,1]=3 88 B12R2.18 CC1=NC2=C(C=NC=C2)N1C C75465 [0,0,0,1,0,0|2,0,1]=4 89 B12R2.18 CC1NC2=C(C=CC=C2)C1C C74121 [0,0,0,1,0,0|2,0,0]=3 90 B12R2.18 CN1C(=O)CC2=C1C=NC=C2 P21083 [0,0,0,1,0,0|2,0,1]=4 91 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O C10104 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,0|2,0,1]=4 94 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [0,0,0,1,0,0|2,0,0]=3 95 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [0,0,0,1,0,0|2,0,0]=3 96 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [0,0,0,1,0,0|2,0,0]=3 103 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [0,0,0,1,0,0|1,0,1]=3 104 B12R2.24 O=C1NCC2=C(C=CC=C2)N1 C76098 [0,0,0,1,0,0|2,0,1]=4 105 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [0,0,0,1,0,0|3,0,0]=4 106 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [0,0,0,1,0,0|3,0,0]=4 107 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [0,0,0,1,0,0|3,0,0]=4 108 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [0,0,0,1,0,0|2,0,0]=3 111 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [0,0,0,1,0,0|2,0,0]=3 112 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.32 CNC1=NC2=C(C=CC=C2)S1 71045 [0,0,0,1,0,0|2,0,1]=4 114 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 30218 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 P12564 [0,0,0,1,0,0|3,0,0]=4 116 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)O1 25158 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.94 OC1(CC2=CC=CC=C2)CC1 W18583 [0,0,0,1,0,0|2,0,0]=3 118 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [0,0,0,1,0,0|2,0,0]=3 119 B12R2.2058 C1=CC=C(NC2CCC2)C=C1 W12187 [0,0,0,1,0,0|2,0,0]=3 120 B12R2.2058 C1=CC=C(OC2CNC2)C=C1 88509 [0,0,0,1,0,0|3,0,0]=4 121 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [0,0,0,0,1,0|2,0,1]=4 122 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [0,0,0,0,1,0|2,0,1]=4 123 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [0,0,0,0,1,0|1,0,2]=4 124 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,0,0,0,1,0|2,0,1]=4 125 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,0,0,0,1,0|2,0,1]=4 126 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,0,0,0,1,0|2,0,1]=4 127 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [0,0,0,0,1,0|2,0,0]=3 128 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [0,0,0,0,1,0|2,0,0]=3 129 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [0,0,0,0,1,0|3,0,0]=4 130 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [0,0,0,0,1,0|3,0,0]=4 131 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [0,0,0,0,1,0|3,0,0]=4 132 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [0,0,0,0,1,0|3,0,0]=4 133 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [0,0,0,0,1,0|3,0,0]=4 134 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [0,0,0,0,1,0|3,0,0]=4 135 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [0,0,0,0,1,0|3,0,0]=4 136 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [0,0,0,0,1,0|3,0,0]=4 137 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [0,0,0,0,1,0|3,0,0]=4 138 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [0,0,0,0,1,0|3,0,0]=4 139 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [0,0,0,0,1,0|3,0,0]=4 140 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [0,0,0,0,1,0|3,0,0]=4 141 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [0,0,0,0,1,0|2,0,0]=3 142 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [0,0,0,0,1,0|2,0,0]=3 143 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [0,0,0,0,1,0|3,0,0]=4 144 B10R1.15 N=C(NN)C1=CC=CC=C1 D97377 [0,0,0,0,1,0|2,0,1]=4 145 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [0,0,0,0,1,0|3,0,0]=4 146 B10R1.15 NNC(=S)C1=CC=CC=C1 W10972 [0,0,0,0,1,0|2,0,1]=4 147 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,0,0,0,1,0|3,0,0]=4 148 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [0,0,0,0,1,0|3,0,0]=4 149 B12R1.27 CCC(=O)NCC1=CC=CC=C1 Y13566 [0,0,0,0,0,1|2,0,1]=4 150 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [0,0,0,0,0,1|2,0,1]=4 151 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,0,0,0,0,1|2,0,0]=3 152 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,0,0,0,0,1|3,0,0]=4 153 B9R1.8 BrCCC1=CC=NC=C1 C71689 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.8 CCNC1=CC=CN=C1 C15578 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|1,0,0]=3 156 B9R1.8 CNCC1=CN=NC=C1 P16258 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.8 CNCC1=NC=CC=N1 W11490 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.8 ClCCC1=CC=NC=C1 O11064 [2,0,0,0,0,0|2,0,0]=4 159 B9R1.8 NCCC1=NC=CC=N1 P15951 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.8 NCCC1=NC=CN=C1 AR1061 [2,0,0,0,0,0|2,0,0]=4 161 B9R1.8 NCCC1=NC=NC=C1 P18517 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.8 NNCC1=CC=CN=C1 78930 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.8 NNCC1=CC=NC=C1 37009 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.8 NNCC1=CC=NC=C1 BL009189 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.8 NNCC1=NC=CC=C1 78929 [2,0,0,0,0,0|2,0,0]=4 166 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.8 N\N=C\C1=CC=CC=C1 D81797 [2,0,0,0,0,0|1,0,1]=4 168 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|0,0,2]=4 169 B11R1.1 C=CCCC1=CC=C(Br)C=C1 VT1222 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.1 C=CCCC1=CC=C(O)C=C1 AC1840 [1,1,0,0,0,0|1,0,1]=4 171 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [1,1,0,0,0,0|2,0,0]=4 175 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.1 CNCCC1=CC=C(N)C=C1 76010 [1,1,0,0,0,0|0,0,0]=2 177 B11R1.1 FC1=CC=C(CCCBr)C=C1 AB8466 [1,1,0,0,0,0|2,0,0]=4 178 B11R1.1 FC1=CC=C(CCCI)C=C1 AC3098 [1,1,0,0,0,0|2,0,0]=4 179 B11R1.1 N#CCCC1=CC=C(Br)C=C1 O10869 [1,1,0,0,0,0|2,0,0]=4 180 B11R1.1 NCCCC1=CC=C(F)C=C1 C72058 [1,1,0,0,0,0|2,0,0]=4 181 B11R1.1 O=CCCC1=CC=C(Br)C=C1 29444 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.1 O=CCCC1=CC=C(Cl)C=C1 AB6893 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.1 O=CCCC1=CC=C(O)C=C1 F19751 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [1,1,0,0,0,0|1,0,1]=4 185 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [1,1,0,0,0,0|1,0,1]=4 186 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [1,1,0,0,0,0|1,0,1]=4 187 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [1,1,0,0,0,0|1,0,1]=4 188 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|1,0,0]=3 189 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|1,0,0]=3 190 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|1,0,0]=3 191 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|1,0,0]=3 194 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.17 C=CCCC1=C(Br)C=CC=C1 20639 [1,1,0,0,0,0|1,0,1]=4 198 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [1,1,0,0,0,0|2,0,0]=4 199 B11R1.17 COCCC1=C(O)C=CC=C1 D94967 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.17 FC1=C(CCCBr)C=CC=C1 AB10312 [1,1,0,0,0,0|2,0,0]=4 201 B11R1.17 NC1=C(CCCO)C=CC=C1 Y12219 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.17 NCCCC1=C(Br)C=CC=C1 AC1659 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.17 O=CCCC1=C(Cl)C=CC=C1 20776 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.17 OCCCC1=C(Cl)C=CC=C1 AB3571 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.17 OCCCC1=C(F)C=CC=C1 AB3823 [1,1,0,0,0,0|2,0,0]=4 206 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [1,1,0,0,0,0|1,0,0]=3 207 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.24 CCCC[N+]1=CC(C)=CC=C1 T70177 [1,1,0,0,0,0|2,0,0]=4 209 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.24 NCCCC1=CC=CC(Cl)=C1 F20098 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.24 O=CCCC1=CC=CC(Br)=C1 A10169 [1,1,0,0,0,0|2,0,0]=4 212 B11R1.24 OCCCC1=CC=CC(Cl)=C1 AB3572 [1,1,0,0,0,0|2,0,0]=4 213 B11R1.24 OCCCC1=CC=CC(F)=C1 AB3824 [1,1,0,0,0,0|2,0,0]=4 214 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,1,0,0,0,0|2,0,0]=4 215 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,1,0,0,0,0|1,0,1]=4 216 B11R1.28 CC#CCOC1=CC=CC=C1 W17093 [1,1,0,0,0,0|1,0,1]=4 217 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,1,0,0,0,0|2,0,0]=4 218 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,1,0,0,0,0|2,0,0]=4 219 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,1,0,0,0,0|2,0,0]=4 220 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,1,0,0,0,0|2,0,0]=4 222 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,1,0,0,0,0|2,0,0]=4 223 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,1,0,0,0,0|1,0,0]=3 227 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,1,0,0,0,0|1,0,1]=4 229 B11R1.20 CC(C)NC1=CC=C(F)C=C1 22289 [1,1,0,0,0,0|1,0,0]=3 230 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C71698 [1,1,0,0,0,0|2,0,0]=4 231 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P18240 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.20 CC(C)SC1=CC=C(Br)C=C1 AT20955 [1,1,0,0,0,0|1,0,0]=3 233 B11R1.20 CC(C)SC1=NC=C(Br)C=C1 F20124 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.20 CC1=CC=C(C[C@H](C)N)C=C1 N10874 [1,1,0,0,0,0|0,0,0]=2 235 B11R1.20 CC1=CN=C(OC(C)C)C=C1 W12584 [1,1,0,0,0,0|2,0,0]=4 236 B11R1.20 CN(C)CC1=NC=C(Br)C=C1 P17479 [1,1,0,0,0,0|2,0,0]=4 237 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 84989 [1,1,0,0,0,0|0,0,0]=2 238 B11R1.20 C[C@H](N)CC1=CC=C(Br)C=C1 Y14838 [1,1,0,0,0,0|0,0,0]=2 239 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11301 [1,1,0,0,0,0|0,0,0]=2 240 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 N11302 [1,1,0,0,0,0|0,0,0]=2 241 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11173 [1,1,0,0,0,0|0,0,0]=2 242 B11R1.20 C[C@H](N)CC1=CC=C(Cl)C=C1 Y11623 [1,1,0,0,0,0|0,0,0]=2 243 B11R1.20 C[C@H](N)CC1=CC=C(O)C=C1 84990 [1,1,0,0,0,0|0,0,0]=2 244 B11R1.20 C[C@H](O)CC1=CC=C(F)C=C1 C75202 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 69913 [1,1,0,0,0,0|1,0,1]=4 246 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,1,0,0,0,0|1,0,1]=4 247 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,1,0,0,0,0|1,0,1]=4 248 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,1,0,0,0,0|0,0,0]=2 249 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,1,0,0,0,0|0,0,0]=2 250 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,1,0,0,0,0|0,0,0]=2 251 B11R1.36 CC(C)[C@H](N)C1=CC=CN=C1 D80774 [1,1,0,0,0,0|1,0,0]=3 252 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N10542 [1,1,0,0,0,0|1,0,0]=3 253 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 N11120 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y11073 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.36 CC(C)[C@H](N)C1=NC=CC=C1 Y13397 [1,1,0,0,0,0|1,0,0]=3 256 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [1,1,0,0,0,0|1,0,1]=4 257 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [1,1,0,0,0,0|1,0,0]=3 258 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.36 C[C@H](F)C(=O)C1=CC=CC=C1 C10603 [1,1,0,0,0,0|1,0,1]=4 260 B11R1.86 CC(C)OC1=C(O)C=CC=C1 D71146 [1,1,0,0,0,0|1,0,0]=3 261 B11R1.86 CN(C)CC1=C(O)C=CC=N1 D79872 [1,1,0,0,0,0|2,0,0]=4 262 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 N10828 [1,1,0,0,0,0|0,0,0]=2 263 B11R1.86 C[C@H](O)CC1=C(Cl)C=CC=C1 D84375 [1,1,0,0,0,0|1,0,0]=3 264 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 C72557 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.157 CC(C)OC1=CC(Cl)=NC=C1 AB10973 [1,1,0,0,0,0|2,0,0]=4 266 B11R1.157 CC(C)OC1=CC(O)=CC=C1 C13518 [1,1,0,0,0,0|1,0,0]=3 267 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 72240 [1,1,0,0,0,0|2,0,0]=4 268 B11R1.157 CC(C)OC1=NC=CC(Cl)=C1 W12583 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.157 CC(C)OC1=NC=CC(I)=C1 W17318 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.157 CN(C)CC1=CC=CC(O)=C1 C75839 [1,1,0,0,0,0|1,0,0]=3 271 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 N10830 [1,1,0,0,0,0|0,0,0]=2 272 B11R1.157 C[C@H](N)CC1=CC=CC(Br)=C1 Y11543 [1,1,0,0,0,0|0,0,0]=2 273 B11R1.157 C[C@H](O)CC1=CC=CC(Cl)=C1 W16410 [1,1,0,0,0,0|1,0,0]=3 274 B11R1.157 C[C@H](O)CC1=NC=CC(Br)=C1 AC4439 [1,1,0,0,0,0|2,0,0]=4 275 B11R1.157 NC(=O)CC1=CC(N)=CC=C1 C72191 [1,1,0,0,0,0|1,0,1]=4 276 B11R1.157 NC(=O)CC1=CC=CC(Cl)=C1 57489 [1,1,0,0,0,0|1,0,1]=4 277 B11R1.509 CC(C)(C)OC1=CN=CC=C1 N10411 [1,1,0,0,0,0|2,0,0]=4 278 B11R1.509 CC(C)(C)OC1=NC=CC=C1 CS1089 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.509 C[S@](=N)(=O)CC1=CC=CC=C1 W18265 [1,1,0,0,0,0|1,0,1]=4 280 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [0,1,0,0,1,0|2,0,0]=4 281 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,1,0,0,1,0|0,0,0]=2 282 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,1,0,0,1,0|2,0,0]=4 283 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [0,1,0,0,1,0|2,0,0]=4 284 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [0,1,0,0,1,0|2,0,0]=4 285 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [0,1,0,0,1,0|2,0,0]=4 286 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [0,1,0,0,1,0|2,0,0]=4 287 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [0,1,0,0,1,0|2,0,0]=4 288 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [0,1,0,0,1,0|2,0,0]=4 289 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [0,1,0,0,1,0|2,0,0]=4 290 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [0,1,0,0,1,0|2,0,0]=4 291 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [0,1,0,0,1,0|2,0,0]=4 292 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [0,1,0,0,1,0|2,0,0]=4 293 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [0,1,0,0,1,0|2,0,0]=4 294 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [0,1,0,0,1,0|2,0,0]=4 295 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [0,1,0,0,1,0|2,0,0]=4 296 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [0,1,0,0,1,0|2,0,0]=4 297 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [0,1,0,0,1,0|2,0,0]=4 298 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [0,1,0,0,1,0|2,0,0]=4 299 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [0,1,0,0,1,0|2,0,0]=4 300 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [0,1,0,0,1,0|2,0,0]=4 301 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [0,1,0,0,1,0|2,0,0]=4 302 B11R1.22 CNC(=O)C1=CC=C(Cl)C=C1 D83483 [0,1,0,0,1,0|1,0,1]=4 303 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 29238 [0,1,0,0,1,0|1,0,1]=4 304 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [0,1,0,0,1,0|0,0,0]=2 305 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [0,1,0,0,1,0|0,0,0]=2 306 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [0,1,0,0,1,0|0,0,0]=2 307 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [0,1,0,0,1,0|0,0,0]=2 308 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [0,1,0,0,1,0|0,0,0]=2 309 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [0,1,0,0,1,0|0,0,0]=2 310 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [0,1,0,0,1,0|0,0,0]=2 311 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [0,1,0,0,1,0|2,0,0]=4 312 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [0,1,0,0,1,0|2,0,0]=4 313 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [0,1,0,0,1,0|2,0,0]=4 314 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [0,1,0,0,1,0|2,0,0]=4 315 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [0,1,0,0,1,0|2,0,0]=4 316 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [0,1,0,0,1,0|2,0,0]=4 317 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [0,1,0,0,1,0|2,0,0]=4 318 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [0,1,0,0,1,0|2,0,0]=4 319 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [0,1,0,0,1,0|2,0,0]=4 320 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [0,1,0,0,1,0|2,0,0]=4 321 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [0,1,0,0,1,0|2,0,0]=4 322 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [0,1,0,0,1,0|2,0,0]=4 323 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [0,1,0,0,1,0|2,0,0]=4 324 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [0,1,0,0,1,0|2,0,0]=4 325 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [0,1,0,0,1,0|2,0,0]=4 326 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [0,1,0,0,1,0|2,0,0]=4 327 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [0,1,0,0,1,0|2,0,0]=4 328 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [0,1,0,0,1,0|2,0,0]=4 329 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [0,1,0,0,1,0|2,0,0]=4 330 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [0,1,0,0,1,0|0,0,0]=2 331 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [0,1,0,0,1,0|0,0,0]=2 332 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [0,1,0,0,1,0|0,0,0]=2 333 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [0,1,0,0,1,0|0,0,0]=2 334 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [0,1,0,0,1,0|0,0,0]=2 335 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [0,1,0,0,1,0|0,0,0]=2 336 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [0,1,0,0,1,0|0,0,0]=2 337 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [0,1,0,0,1,0|0,0,0]=2 338 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [0,1,0,0,1,0|0,0,0]=2 339 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [0,1,0,0,1,0|2,0,0]=4 340 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [0,1,0,0,1,0|2,0,0]=4 341 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [0,1,0,0,1,0|2,0,0]=4 342 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [0,1,0,0,1,0|2,0,0]=4 343 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [0,1,0,0,1,0|2,0,0]=4 344 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [0,1,0,0,1,0|2,0,0]=4 345 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [0,1,0,0,1,0|2,0,0]=4 346 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [0,1,0,0,1,0|2,0,0]=4 347 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [0,1,0,0,1,0|2,0,0]=4 348 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [0,1,0,0,1,0|2,0,0]=4 349 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [0,1,0,0,1,0|2,0,0]=4 350 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [0,1,0,0,1,0|2,0,0]=4 351 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [0,1,0,0,1,0|2,0,0]=4 352 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [0,1,0,0,1,0|2,0,0]=4 353 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [0,1,0,0,1,0|0,0,0]=2 354 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [0,1,0,0,1,0|0,0,0]=2 355 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [0,1,0,0,1,0|0,0,0]=2 356 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [0,1,0,0,1,0|0,0,0]=2 357 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [0,1,0,0,1,0|0,0,0]=2 358 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [0,1,0,0,1,0|0,0,0]=2 359 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [0,1,0,0,1,0|0,0,0]=2 360 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [0,1,0,0,1,0|0,0,0]=2 361 B13R1.11 CNC(=O)CC(=O)C1=CC=CC=C1 32568 [0,1,0,0,0,1|1,0,1]=4 362 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 C72746 [0,1,0,0,0,1|1,0,1]=4 363 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,1|2,0,0]=4 364 B13R1.417 OCC(CO)OCC1=CC=CC=C1 T70300 [0,1,0,0,0,1|2,0,0]=4 365 B13R1.348 CN(C)C[C@@H](N)CC1=CC=CC=C1 53132 [0,2,0,0,0,0|1,0,0]=3 366 B13R1.152 CN(C)C(=O)[C@H](N)C1=CC=CC=C1 C12625 [0,2,0,0,0,0|1,0,1]=4 367 B13R1.152 CN(C)C(=O)[C@H](O)C1=CC=CC=C1 C73823 [0,2,0,0,0,0|1,0,1]=4 368 B13R1.133 CC(C)[C@@H](O)CC1=CC=C(Cl)C=C1 A12512 [0,2,0,0,0,0|2,0,0]=4 369 B13R1.133 CN(C)C(=O)CC1=CC=C(N)C=C1 L10071 [0,2,0,0,0,0|1,0,1]=4 370 B13R1.133 C[C@@H](CC1=CC=C(Br)C=C1)C(=O)O D79738 [0,2,0,0,0,0|2,0,0]=4 371 B13R1.133 C[C@@H](CC1=CC=C(F)C=C1)C(=O)O 71965 [0,2,0,0,0,0|2,0,0]=4 372 B13R1.418 NC[C@H](CC1=CC=CC=C1)C(=O)O 32246 [0,2,0,0,0,0|2,0,0]=4 373 B13R1.418 O=C(O)[C@H](CO)CC1=CC=CC=C1 87873 [0,2,0,0,0,0|2,0,0]=4 374 B13R1.1073 C[C@](N)(CC1=CC=CC=C1)C(=O)O F10695 [0,2,0,0,0,0|2,0,0]=4 375 B13R1.5 COC1=CC=C(C[C@H](C)C=O)C=C1 64484 [0,2,0,0,0,0|2,0,0]=4 376 B13R1.249 CNS(=O)(=O)CC1=CC=C(N)C=C1 A12922 [0,2,0,0,0,0|2,0,0]=4 377 B13R1.2679 CC[C@H](N)CC1=C(Cl)C=C(Cl)C=C1 F20135 [0,2,0,0,0,0|2,0,0]=4 378 B13R1.275 CC[N+](C)(C)CC1=C(Br)C=CC=C1 A11579 [0,2,0,0,0,0|2,0,0]=4 379 B11R2.1 C=C1CCC2=C1C=CC=C2 AC3155 [1,0,0,1,0,0|1,0,1]=4 380 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 381 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|0,0,0]=2 382 B11R2.1 CN1N=CC2=C1C=CC=C2 P10138 [1,0,0,1,0,0|1,0,1]=4 383 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|2,0,0]=4 385 B11R2.1 NN1CCC2=C1C=CC=C2 C90200 [1,0,0,1,0,0|1,0,0]=3 386 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|2,0,0]=4 387 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|2,0,0]=4 388 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|2,0,0]=4 389 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|2,0,0]=4 390 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|2,0,0]=4 391 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|2,0,0]=4 392 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|2,0,0]=4 393 B11R2.20 C1=CC2=C(C=C1)CCN=C2 F12436 [1,0,0,1,0,0|0,0,2]=4 394 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [1,0,0,1,0,0|1,0,0]=3 395 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [1,0,0,1,0,0|1,0,0]=3 396 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [1,0,0,1,0,0|1,0,0]=3 397 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|1,0,0]=3 398 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [1,0,0,1,0,0|2,0,0]=4 399 B11R2.20 C1=NC=C2CNCCC2=N1 24629 [1,0,0,1,0,0|2,0,0]=4 400 B11R2.20 C1=NC=C2CNCCC2=N1 35879 [1,0,0,1,0,0|2,0,0]=4 401 B11R2.20 C1=NC=C2CNCCC2=N1 SC2801 [1,0,0,1,0,0|2,0,0]=4 402 B11R2.239 C1=CC(C2CNC2)=CC=N1 84193 [1,0,0,1,0,0|1,0,0]=3 403 B11R2.239 C1=CC(C2CNC2)=NC=N1 59757 [1,0,0,1,0,0|2,0,0]=4 404 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|0,0,0]=2 405 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|1,0,0]=3 406 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|2,0,0]=4 407 B11R2.239 C1=CN=C(C2CNC2)C=C1 85626 [1,0,0,1,0,0|1,0,0]=3 408 B11R2.239 C1=CN=C(C2CNC2)N=C1 89301 [1,0,0,1,0,0|2,0,0]=4 409 B11R2.239 C1=CN=CC(C2CNC2)=C1 84095 [1,0,0,1,0,0|1,0,0]=3 410 B11R2.239 C1=NC=C(C2CNC2)C=N1 85627 [1,0,0,1,0,0|2,0,0]=4 411 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 P16419 [1,0,0,1,0,0|0,0,0]=2 412 B11R2.10 C[C@H]1CC2=C(C=CC=C2)N1 VT1375 [1,0,0,1,0,0|0,0,0]=2 413 B11R2.36 C[C@H]1CN2N=CC=C2CN1 C90721 [0,0,0,1,1,0|2,0,0]=4 414 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,1|1,0,0]=3 415 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [0,0,0,1,0,1|1,0,1]=4 416 B13R2.32 CN1C(=O)CCC2=C1C=CC=C2 N11819 [0,0,0,1,0,1|1,0,1]=4 417 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 24600 [0,0,0,1,0,1|2,0,0]=4 418 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 AB12161 [0,0,0,1,0,1|1,0,0]=3 419 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [0,0,0,1,0,1|2,0,0]=4 420 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 D84539 [0,0,0,1,0,1|2,0,0]=4 421 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 S11057 [0,0,0,1,0,1|2,0,0]=4 422 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,1,0,1,0,0|2,0,0]=4 423 B13R2.15 O=C1NCC[C@@H]1C2=CC=CC=C2 P19899 [0,1,0,1,0,0|1,0,1]=4 424 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.15 O[C@H]1CNC[C@@H]1C2=CC=CC=C2 P14522 [0,1,0,1,0,0|1,0,0]=3 426 B13R2.26 COC[C@H]1CC2=C(C=CC=C2)N1 20875 [0,1,0,1,0,0|2,0,0]=4 427 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,1,0,1,0,0|1,0,0]=3 428 B13R2.31 NC1CN(CC2=CC=CC=C2)C1 Y10930 [0,1,0,1,0,0|2,0,0]=4 429 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,1,0,1,0,0|1,0,1]=4 430 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,1,0,1,0,0|1,0,0]=3 431 B13R2.64 C1=CC(O[C@H]2CCNC2)=CC=N1 AB9979 [0,1,0,1,0,0|2,0,0]=4 432 B13R2.64 C1=CC(O[C@H]2CCNC2)=CN=C1 AB9976 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.64 C1=CC=C(CN2CCOC2)C=C1 T70230 [0,1,0,1,0,0|2,0,0]=4 434 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,1,0,1,0,0|0,0,0]=2 435 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,1,0,1,0,0|0,0,0]=2 436 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C77876 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.64 C1=CC=C(O[C@H]2CCNC2)C=C1 C78595 [0,1,0,1,0,0|1,0,0]=3 438 B13R2.64 C1=CN=C(O[C@H]2CCNC2)C=C1 20293 [0,1,0,1,0,0|2,0,0]=4 439 B13R2.64 C1=CN=CC(C[C@H]2CCCN2)=C1 AR1097 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 AR1415 [0,1,0,1,0,0|1,0,0]=3 441 B13R2.64 C1=CN=CC(C[C@H]2CCNC2)=C1 D80351 [0,1,0,1,0,0|1,0,0]=3 442 B13R2.221 NC1(CC2=CC=CC=C2)COC1 P15365 [0,1,0,1,0,0|2,0,0]=4 443 B13R2.221 OC1(CC2=NC=CC=C2)CNC1 D79145 [0,1,0,1,0,0|2,0,0]=4 444 B13R2.45 CN1C(CN)=CC2=C1C=CC=C2 D70659 [0,1,0,1,0,0|0,0,2]=4 445 B13R2.45 CN1C(CO)=NC2=C1C=CC=C2 W10516 [0,1,0,1,0,0|1,0,1]=4 446 B13R2.3085 CN1C(=O)[C@@H](N)C2=C1C=CC=C2 71614 [0,1,0,1,0,0|1,0,1]=4 447 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 FD10504 [0,1,0,1,0,0|1,0,0]=3 448 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10410 [0,1,0,1,0,0|1,0,0]=3 449 B13R2.8137 N[C@H](C1=CC=CC=C1)C2CCC2 Y10411 [0,1,0,1,0,0|1,0,0]=3 450 B13R2.8138 N[C@H](C1=CC=CC=C1)C2(O)CC2 D70715 [0,1,0,1,0,0|2,0,0]=4 451 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 F12973 [0,1,0,1,0,0|2,0,0]=4 452 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 W13292 [0,1,0,1,0,0|2,0,0]=4 453 B13R2.435 CC(=O)C1CC2=C(C=CC=C2)C1 75402 [0,1,0,1,0,0|1,0,0]=3 454 B13R2.3080 CC1(C)[C@@H](N)[C@@H]1C2=CC=CC=C2 C13591 [0,1,0,1,0,0|2,0,0]=4 455 B13R2.42 O=CC1CC1C2=CC=C(Cl)C=C2 72789 [0,1,0,1,0,0|2,0,0]=4 456 B13R2.42 OC[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 D96567 [0,1,0,1,0,0|2,0,0]=4 457 B13R2.1069 BrC1=CC=C(CN2CCC2)C=C1 32174 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.1069 BrC1=CC=C(OC2CCC2)C=C1 S11226 [0,1,0,1,0,0|2,0,0]=4 459 B13R2.3028 CC1=NC2=C(C=C(Cl)C=C2)N1C N17012 [0,1,0,1,0,0|1,0,1]=4 460 B13R2.3028 C[C@H]1CC2=C(C=C(Br)C=C2)C1=O N12524 [0,1,0,1,0,0|2,0,0]=4 461 B13R2.3028 C[C@H]1CC2=C(C=C(Cl)C=C2)C1=O Y11349 [0,1,0,1,0,0|2,0,0]=4 462 B13R2.3683 CN1CCC2=C(C=CC(F)=C2)C1 D80158 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.3683 CN1CCC2=C(C=CC(N)=C2)C1 Y11307 [0,1,0,1,0,0|2,0,0]=4 464 B13R2.3683 CN1CCC2=C(C=CC(O)=C2)C1 F14525 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.3683 C[C@H]1CC2=C(C=C(Br)C=C2)CN1 F52643 [0,1,0,1,0,0|0,0,0]=2 466 B13R2.3683 C[C@H]1CCC2=C(C=CC(N)=C2)N1 W10064 [0,1,0,1,0,0|2,0,0]=4 467 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 20174 [0,1,0,1,0,0|2,0,0]=4 468 B13R2.3683 N[C@H]1CCC2=C(C=CC(Br)=C2)C1 S11530 [0,1,0,1,0,0|2,0,0]=4 469 B13R2.3683 N[C@H]1CCC2=C(C=CC(Cl)=C2)C1 20172 [0,1,0,1,0,0|2,0,0]=4 470 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11723 [0,1,0,1,0,0|2,0,0]=4 471 B13R2.3683 N[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11805 [0,1,0,1,0,0|2,0,0]=4 472 B13R2.3683 O=C1CC2=C(C=C(Br)C=C2)CN1 55345 [0,1,0,1,0,0|1,0,1]=4 473 B13R2.3683 O=C1CC2=C(C=C(O)C=C2)CN1 AC2180 [0,1,0,1,0,0|1,0,1]=4 474 B13R2.3683 O[C@H]1CCC2=C(C=CC(F)=C2)C1 Y11724 [0,1,0,1,0,0|2,0,0]=4 475 B13R2.155 CN1CCC2=C(C=C(N)C=C2)C1 38466 [0,1,0,1,0,0|2,0,0]=4 476 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 AB10494 [0,1,0,1,0,0|2,0,0]=4 477 B13R2.155 N[C@H]1CCC2=C(C=C(Br)C=C2)C1 F14427 [0,1,0,1,0,0|2,0,0]=4 478 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 N10462 [0,1,0,1,0,0|2,0,0]=4 479 B13R2.155 N[C@H]1CCC2=C(C=C(F)C=C2)C1 Y10675 [0,1,0,1,0,0|2,0,0]=4 480 B13R2.155 O=C1CC2=C(C=CC(Br)=C2)CN1 F53175 [0,1,0,1,0,0|1,0,1]=4 481 B13R2.4856 CN1C(=O)CC2=CC=CC(Br)=C21 82390 [0,1,0,1,0,0|1,0,1]=4 482 B13R2.5179 CN1CCC2=C(O)C=CC=C2C1 F14432 [0,1,0,1,0,0|2,0,0]=4 483 B13R2.5179 N[C@H]1CCC2=C(O)C=CC=C2C1 D85475 [0,1,0,1,0,0|2,0,0]=4 484 B13R2.5179 O=C1CC2=CC=CC(Br)=C2CN1 F53178 [0,1,0,1,0,0|1,0,1]=4 485 B13R2.5190 CC1=NC2=C(C=CC(Br)=C2)N1C 51665 [0,1,0,1,0,0|1,0,1]=4 486 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C A11837 [0,1,0,1,0,0|1,0,1]=4 487 B13R2.5190 CC1=NC2=C(C=CC(N)=C2)N1C D72010 [0,1,0,1,0,0|1,0,1]=4 488 B13R2.5190 CN1C(=O)CC2=C1C=CC(Br)=C2 BL003989 [0,1,0,1,0,0|1,0,1]=4 489 B13R2.5190 CN1C(=O)CC2=C1C=CC(N)=C2 28412 [0,1,0,1,0,0|1,0,1]=4 490 B13R2.5190 CN1C(=O)CC2=C1C=CC(O)=C2 72239 [0,1,0,1,0,0|1,0,1]=4 491 B13R2.5190 C[C@H]1CC2=C(C=CC(Br)=C2)C1=O F12673 [0,1,0,1,0,0|2,0,0]=4 492 B13R2.101 C#CC1(CC2=CC=CC=C2)CC1 P17596 [0,1,0,1,0,0|1,0,1]=4 493 B13R2.103 N#CC1(N)CC2=C(C=CC=C2)C1 20958 [0,1,0,1,0,0|2,0,0]=4 494 B13R2.103 NC1(CO)CC2=C(C=CC=C2)C1 20180 [0,1,0,1,0,0|2,0,0]=4 495 B13R2.217 OC1(CC2=C(Cl)C=CC=C2)CC1 P11938 [0,1,0,1,0,0|2,0,0]=4 496 B13R2.4825 CN1C(=O)CC2=C(Br)C=CC=C21 82076 [0,1,0,1,0,0|1,0,1]=4 497 B13R2.4825 C[C@H]1CC2=C(Br)C=CC=C2C1=O F19995 [0,1,0,1,0,0|2,0,0]=4 498 B13R3.28 C1=CC2=C(C=C1)C3CC3CN2 VT1312 [0,0,0,2,0,0|2,0,0]=4 499 B9R1.12 COCCN1C=CC=C1 W16108 [1,0,0,0,1,0|2,0,0]=4 500 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [1,0,0,0,1,0|2,0,0]=4 501 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [1,0,0,0,1,0|0,0,0]=2 502 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [1,0,0,0,1,0|1,0,0]=3 503 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [1,0,0,0,1,0|1,0,0]=3 504 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [1,0,0,0,1,0|1,0,0]=3 505 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [1,0,0,0,1,0|1,0,0]=3 506 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [1,0,0,0,1,0|1,0,0]=3 507 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [1,0,0,0,1,0|1,0,0]=3 508 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [1,0,0,0,1,0|1,0,0]=3 509 B9R1.6 C[C@H](N)C1=CN=CN=C1 37059 [1,0,0,0,1,0|2,0,0]=4 510 B9R1.6 C[C@H](N)C1=CN=CN=C1 AT25773 [1,0,0,0,1,0|2,0,0]=4 511 B9R1.6 C[C@H](N)C1=CN=NC=C1 37052 [1,0,0,0,1,0|2,0,0]=4 512 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90214 [1,0,0,0,1,0|2,0,0]=4 513 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90215 [1,0,0,0,1,0|2,0,0]=4 514 B9R1.6 C[C@H](N)C1=NC=CC=N1 C90324 [1,0,0,0,1,0|2,0,0]=4 515 B9R1.6 C[C@H](N)C1=NC=CC=N1 S11170 [1,0,0,0,1,0|2,0,0]=4 516 B9R1.6 C[C@H](N)C1=NC=CN=C1 24931 [1,0,0,0,1,0|2,0,0]=4 517 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [1,0,0,0,1,0|2,0,0]=4 518 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [1,0,0,0,1,0|2,0,0]=4 519 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [1,0,0,0,1,0|2,0,0]=4 520 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [1,0,0,0,1,0|1,0,0]=3 521 B13R1.718 C[C@@H](CN)CNCC1=CC=CC=C1 T70173 [0,0,0,0,0,2|2,0,0]=4