0 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 Y10083 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.27 O=C(CBr)CCC1=CC=CC=C1 A11325 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.27 O[C@H](CCl)COC1=CC=CC=C1 N13287 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.28 C#CCNCC1=CC=CC=C1 W16389 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|2,0,0]=3 9 B11R1.28 ICCOCC1=CC=CC=C1 70075 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.28 N#CCNCC1=CC=CC=C1 80731 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.28 NCCCOC1=CC=CC=C1 76995 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.28 NCCCOC1=CC=CC=C1 AB7704 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.28 OCCCCC1=NC=CC=C1 30660 [1,0,0,0,0,0|1,0,2]=4 15 B11R1.91 CC(=O)C#CC1=CC=CC=C1 F21355 [1,0,0,0,0,0|0,0,3]=4 16 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.91 NC(=O)CCC1=CC=NC=C1 AC6902 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.91 NC(=O)CCC1=CN=CC=C1 AC6901 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.91 NC(=O)COC1=CC=CC=C1 N16863 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.91 O=C([O-])CCC1=CC=CC=C1 A11567 [1,0,0,0,0,0|1,0,1]=3 22 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 35117 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.42 CC(=CC#N)CCC1=CC=CC=C1 D93259 [0,1,0,0,0,0|1,0,1]=3 24 B13R1.351 C[C@H](NCC1=CC=CC=C1)C(=O)O 60095 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.351 O=C(O)[C@@H](Br)CCC1=CC=CC=C1 72184 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.417 OCC(CO)OCC1=CC=CC=C1 T70300 [0,1,0,0,0,0|1,0,2]=4 27 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,0,0,1,0,0|2,0,1]=4 28 B13R2.32 NC1CCC2=C(C=CC=C2)C1O I10525 [0,0,0,1,0,0|1,0,2]=4 29 B13R2.32 N[C@@H]1C2=C(C=CC=C2)CC[C@H]1O V10228 [0,0,0,1,0,0|2,0,1]=4 30 B13R2.32 O=C1C2=C(C=CC=C2)OC[C@@H]1Br F31375 [0,0,0,1,0,0|2,0,0]=3 31 B13R2.57 BrC[C@H]1CCC2=C(C=CC=C2)O1 24185 [0,0,0,1,0,0|2,0,1]=4 32 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50365 [0,0,0,1,0,0|2,0,1]=4 33 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 24600 [0,0,0,1,0,0|1,0,2]=4 34 B13R2.2383 C1=CC=C(CNC2CCC2)C=C1 AB12161 [0,0,0,1,0,0|2,0,1]=4 35 B13R2.2383 C1=CC=C(CNC2COC2)C=C1 C73722 [0,0,0,1,0,0|1,0,2]=4 36 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 D84539 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.2383 C1=CC=C(COC2CNC2)C=C1 S11057 [0,0,0,1,0,0|2,0,1]=4 38 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [0,0,0,0,1,0|2,0,1]=4 39 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [0,0,0,0,1,0|2,0,1]=4 42 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [0,0,0,0,1,0|1,0,2]=4 43 B13R1.718 C[C@@H](CN)CNCC1=CC=CC=C1 T70173 [0,0,0,0,0,1|1,0,1]=3 44 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 36094 [0,0,0,0,0,1|1,0,2]=4 45 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 W15207 [0,0,0,0,0,1|1,0,2]=4 46 B13R1.718 OC[C@H](O)COCC1=CC=CC=C1 E10194 [0,0,0,0,0,1|1,0,2]=4 47 B13R1.718 O[C@H](CCl)CNCC1=CC=CC=C1 11730 [0,0,0,0,0,1|2,0,1]=4 48 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.17 CCCOC1=CC=CC=C1 C75927 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.17 NCCCC1=CC=CN=C1 31799 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.17 NCCCC1=CC=NC=C1 S12068 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.17 SCCCC1=CC=NC=C1 F18251 [2,0,0,0,0,0|1,1,0]=4 57 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|1,0,1]=4 58 B12R1.1 CCCCCC1=CC=C(F)C=C1 A11207 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.1 FC1=CC=C(CCCCCl)C=C1 C13856 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.1 NCCCCC1=CC=C(Cl)C=C1 VT1079 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.1 NCCCCC1=CC=C(O)C=C1 P16850 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.8 CCCCCNC1=CC=CC=C1 T72196 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.8 N#CCCCOC1=CC=CC=C1 20767 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.8 NCCCCOC1=CC=CC=C1 AB7703 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.8 NCCCOCC1=CC=CC=C1 C73224 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.28 CCCCCC1=CC=CC(F)=C1 36943 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N10728 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.30 N[C@@H](CCCO)C1=CC=CC=C1 N12911 [1,1,0,0,0,0|0,0,2]=4 70 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.267 N#CCCCC1=C(F)C=CC=C1 20843 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.267 OCCCCC1=C(Br)C=CC=C1 21173 [1,1,0,0,0,0|0,0,2]=4 78 B12R1.21 CC(=O)CCC1=CC=C(F)C=C1 D71139 [1,1,0,0,0,0|0,0,1]=3 79 B12R1.21 CC(=O)NCC1=CC=C(F)C=C1 20599 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.21 CC(C)OCC1=CC=C(Br)C=C1 N10192 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.21 CC1=CC=C(OC[C@H](C)N)C=C1 F50498 [1,1,0,0,0,0|2,0,0]=4 82 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 T72748 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|0,0,1]=3 84 B12R1.43 C[C@H](N)C(=O)CC1=CC=CC=C1 D80885 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20111 [1,1,0,0,0,0|0,0,1]=3 88 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 20113 [1,1,0,0,0,0|0,0,1]=3 89 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11320 [1,1,0,0,0,0|0,0,1]=3 90 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11540 [1,1,0,0,0,0|0,0,1]=3 91 B12R1.107 CC(C)C[C@H](N)C1=CC=CC=C1 Y11782 [1,1,0,0,0,0|0,0,1]=3 92 B12R1.107 CN(C)C[C@H](N)C1=CC=CC=C1 C11392 [1,1,0,0,0,0|1,0,1]=4 93 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,1,0,0,0,0|1,0,1]=4 94 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,1,0,0,0,0|1,0,1]=4 95 B12R1.125 CC(=O)NCC1=C(O)C=CC=C1 C76570 [1,1,0,0,0,0|1,0,1]=4 96 B12R1.125 CC1=C(CNC(C)C)C=CC=C1 C78577 [1,1,0,0,0,0|1,0,1]=4 97 B12R1.226 CC(=O)SCC1=CC=CC(I)=C1 21164 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.226 CC(C)CNC1=CC=CC(Br)=C1 W16002 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.226 CC(C)COC1=CC(O)=CC=C1 W16042 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [0,1,0,0,1,0|1,0,1]=4 101 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [0,1,0,0,1,0|1,0,1]=4 102 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,1,0,0,1,0|0,0,2]=4 103 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [0,1,0,0,1,0|1,0,1]=4 104 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [0,1,0,0,1,0|0,0,2]=4 105 B14R1.6449 N[C@@H](C\C=C\C1=CC=CC=C1)C(=O)O A50121 [0,1,0,0,0,1|1,0,1]=4 106 B14R1.6449 O=C(O)[C@@H](O)CCCC1=CC=CC=C1 W13072 [0,1,0,0,0,1|1,0,0]=3 107 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 85225 [0,1,0,0,0,1|1,0,0]=3 108 B14R1.679 N[C@@H](CCC1=CC=C(O)C=C1)C(=O)O D83280 [0,2,0,0,0,0|1,0,0]=3 109 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 51920 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O C16095 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.161 N[C@@H](CCC1=C(O)C=CC=C1)C(=O)O W18942 [0,2,0,0,0,0|1,0,0]=3 114 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [1,0,0,1,0,0|1,0,1]=4 115 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [1,0,0,1,0,0|1,0,1]=4 116 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [1,0,0,1,0,0|1,0,1]=4 117 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|2,0,0]=4 118 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|2,0,0]=4 119 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|2,0,0]=4 120 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,1,0,0|1,0,1]=4 121 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|0,0,0]=2 123 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [1,0,0,1,0,0|1,0,0]=3 124 B12R2.27 OCC1CC1C2=CC=CC=C2 Y11022 [1,0,0,1,0,0|0,0,2]=4 125 B12R2.27 OC[C@@H]1C[C@@H]1C2=CC=CC=C2 55231 [1,0,0,1,0,0|0,0,2]=4 126 B12R2.27 OC[C@H]1C[C@@H]1C2=CC=CC=C2 55237 [1,0,0,1,0,0|0,0,2]=4 127 B12R2.41 C1=CC2=C(C=C1)NCCCC2 W18982 [1,0,0,1,0,0|1,0,1]=4 128 B12R2.1081 O=C1CC=CC2=C1C=CC=C2 F31381 [1,0,0,1,0,0|0,0,2]=4 129 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [1,0,0,1,0,0|1,0,0]=3 130 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [1,0,0,1,0,0|1,0,0]=3 131 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [1,0,0,1,0,0|1,0,0]=3 132 B12R2.1081 O=C1CCOC2=CC=CN=C12 50250 [1,0,0,1,0,0|2,0,0]=4 133 B12R2.1081 O=C1CNNC2=C1C=CC=C2 H10992 [1,0,0,1,0,0|2,0,0]=4 134 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [1,0,0,1,0,0|2,0,0]=4 135 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [1,0,0,1,0,0|2,0,0]=4 136 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72122 [1,0,0,1,0,0|0,0,2]=4 137 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T72587 [1,0,0,1,0,0|0,0,2]=4 138 B12R2.2058 C1=CC=C(CC2CNC2)C=C1 A50762 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.22 NC1CN(C2=CC=CC=C2)C1 P16497 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,1,0,0|1,0,0]=3 141 B12R2.22 OC1CN(C2=CC=CC=C2)C1 P13302 [1,0,0,1,0,0|1,0,1]=4 142 B12R2.22 O[C@H]1C[C@@H](C2=CC=CC=C2)C1 91858 [1,0,0,1,0,0|0,0,1]=3 143 B12R2.22 O[C@H]1C[C@H](C2=CC=CC=C2)C1 91835 [1,0,0,1,0,0|0,0,1]=3 144 B12R2.24 CN1CCC2=C(C=CC=C2)C1 66638 [1,0,0,1,0,0|1,0,1]=4 145 B12R2.24 CN1CCC2=C(C=CC=C2)C1 O10829 [1,0,0,1,0,0|1,0,1]=4 146 B12R2.24 C[C@H]1CNC2=C(C=CC=C2)O1 71634 [1,0,0,1,0,0|1,0,1]=4 147 B12R2.24 C[C@H]1COC2=C(C=CC=C2)N1 71352 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 20328 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 D86156 [1,0,0,1,0,0|2,0,0]=4 150 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 Y11370 [1,0,0,1,0,0|2,0,0]=4 151 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69307 [1,0,0,1,0,0|1,0,0]=3 152 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 69309 [1,0,0,1,0,0|1,0,0]=3 153 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 C15389 [1,0,0,1,0,0|1,0,1]=4 154 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P11165 [1,0,0,1,0,0|1,0,1]=4 155 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P12593 [1,0,0,1,0,0|1,0,1]=4 156 B12R2.24 O[C@@H]1CNC2=C(C=CC=C2)C1 P17350 [1,0,0,1,0,0|1,0,1]=4 157 B12R2.2403 C[C@]1(O)CCC2=C1C=CC=C2 72298 [1,0,0,1,0,0|0,0,1]=3 158 B12R2.2403 O=S1(=O)CCC2=C1C=CC=C2 W16179 [1,0,0,1,0,0|2,0,0]=4 159 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [0,0,0,1,1,0|1,0,1]=4 160 B14R2.68 C[C@@H]1CN[C@H](C2=CC=CC=C2)CO1 83568 [0,0,0,1,0,1|1,0,1]=4 161 B14R2.90 CNC1CN(CC2=CC=CC=C2)C1 P20301 [0,0,0,1,0,1|2,0,0]=4 162 B14R2.90 NCC1CN(CC2=CC=CC=C2)C1 I11850 [0,0,0,1,0,1|1,0,1]=4 163 B14R2.3019 C1=CC=C(COCC2COC2)C=C1 20490 [0,0,0,1,0,1|0,0,2]=4 164 B14R2.28523 CN1CCC2=CC=CC(Br)=C2C1=O D80204 [0,1,0,1,0,0|1,0,0]=3 165 B14R2.29369 CN1CCC2=C(C=CC(Br)=C2)C1=O S10292 [0,1,0,1,0,0|1,0,0]=3 166 B14R2.29369 CN1CCC2=C(C=CC(O)=C2)C1=O D70738 [0,1,0,1,0,0|1,0,0]=3 167 B14R2.101 C1=CC=C(CC[C@H]2CCNC2)C=C1 AR1439 [0,1,0,1,0,0|1,0,1]=4 168 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 83541 [0,1,0,1,0,0|2,0,0]=4 169 B14R2.598 O=C1C[C@H](C2=CC=CC=C2)C(=O)O1 86146 [0,1,0,1,0,0|1,0,1]=4 170 B14R2.741 CN1CCC2=C(C=CC=C2)CC1=O C11953 [0,1,0,1,0,0|1,0,0]=3 171 B14R2.6175 CC1(C)CCC2=C(C=CC=C2)C1=O H11153 [0,1,0,1,0,0|0,0,0]=2 172 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66619 [0,1,0,1,0,0|1,0,0]=3 173 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)N1 66629 [0,1,0,1,0,0|1,0,0]=3 174 B14R2.781 O=C(O)[C@@H]1CCC2=C(C=CC=C2)O1 50355 [0,1,0,1,0,0|1,0,0]=3 175 B14R2.781 O=C(O)[C@@H]1COC2=C(C=CC=C2)O1 60392 [0,1,0,1,0,0|2,0,0]=4 176 B14R2.781 O=C(O)[C@H]1CCC2=C(C=CC=C2)C1 34030 [0,1,0,1,0,0|0,0,0]=2 177 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [1,0,0,0,1,0|1,0,1]=4 178 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [1,0,0,0,1,0|1,0,1]=4 179 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [1,0,0,0,1,0|2,0,0]=4 180 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [0,0,0,0,2,0|2,0,0]=4 181 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [0,0,0,0,2,0|2,0,0]=4 182 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [0,0,0,0,2,0|2,0,0]=4 183 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [0,0,0,0,2,0|2,0,0]=4 184 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [0,0,0,0,2,0|1,0,0]=3