0 B12R1.32 C#CCN(C)CC1=CC=CC=C1 29243 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9579 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB9580 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [1,0,0,0,0,0|3,0,0]=4 4 B11R1.28 O=CCCCC1=CN=CC=C1 P16929 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 Y10008 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.40 OC[C@@H](Br)CC1=CC=CC=C1 D80460 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 27901 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 24748 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.348 N[C@@H](CC(=O)O)CC1=CC=CC=C1 FD10278 [0,1,0,0,0,0|2,0,0]=3 13 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67223 [0,0,0,1,0,0|2,0,1]=4 14 B13R2.31 O=C1CC(CC2=CC=CC=C2)C1 67222 [0,0,0,1,0,0|1,0,0]=2 15 B13R2.31 OC1CC(CC2=CC=CC=C2)C1 67206 [0,0,0,1,0,0|1,0,2]=4 16 B13R2.64 C1=CC=C(CC2=NC=CN2)C=C1 F19846 [0,0,0,1,0,0|2,0,1]=4 17 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,1,0,0|1,0,1]=3 18 B13R2.64 C1=CC=C(C[C@H]2CCNC2)C=C1 C78600 [0,0,0,1,0,0|2,0,1]=4 19 B13R2.64 C1=CN=CC(C[C@H]2CCCN2)=C1 AR1097 [0,0,0,1,0,0|2,0,1]=4 20 B13R2.135 CN1N=C2C=CC=CC2=C1C=O 30208 [0,0,0,1,0,0|3,0,0]=4 21 B13R2.328 CC1=CC2=C(C=CC=C2)C(=O)N1 F13592 [0,0,0,1,0,0|0,0,2]=3 22 B13R2.328 CC1=NC2=C(C=NC=C2)C(=O)N1 F51927 [0,0,0,1,0,0|2,0,1]=4 23 B13R2.328 C[C@H]1CC(=O)C2=C(C=CC=C2)N1 72373 [0,0,0,1,0,0|2,0,0]=3 24 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Y10382 [0,0,0,1,0,0|1,0,1]=3 25 B13R2.328 O=C1NC(Cl)=NC2=C1C=CC=C2 F11681 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 I11297 [0,0,0,0,1,0|3,0,0]=4 27 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y10366 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y12585 [0,0,0,0,1,0|3,0,0]=4 29 B11R1.16 C=CC[C@H](N)C1=CC=CC=C1 Y13293 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [0,0,0,0,1,0|2,0,1]=4 31 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [0,0,0,0,1,0|0,0,2]=3 32 B10R1.17 CCNCC1=CC=CC=C1 D77748 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.17 CNNCC1=CC=CC=C1 30192 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [2,0,0,0,0,0|1,0,1]=4 36 B10R1.17 [C-]#[N+]CCC1=CC=CC=C1 50056 [2,0,0,0,0,0|0,0,2]=4 37 B10R1.18 CC(=O)CC1=CN=CC=C1 28512 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.18 CC(=O)NC1=CC=CC=C1 D72485 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.18 C[C@H](N)CC1=NC=CC=C1 C80024 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.18 N=C(N)CC1=CC=CC=C1 F19863 [2,0,0,0,0,0|1,0,1]=4 41 B10R1.18 NC(=S)CC1=CC=CC=C1 71029 [2,0,0,0,0,0|1,0,1]=4 42 B12R1.8 C=CCCOCC1=CC=CC=C1 AC6656 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.30 O=CNCC(=O)C1=CC=CC=C1 C76338 [1,1,0,0,0,0|0,0,1]=3 44 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 F52615 [1,1,0,0,0,0|1,0,0]=3 45 B12R1.252 O=C(O)CCCC1=CC=NC=C1 F15138 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.252 O=C(O)CCCC1=NC=CC=C1 O11098 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 FD10503 [1,1,0,0,0,0|1,0,1]=4 48 B12R1.34 CCC(C)[C@H](N)C1=CC=CC=C1 F31005 [1,1,0,0,0,0|1,0,1]=4 49 B12R1.43 CC(=O)[C@@H](C)CC1=CC=CC=C1 Y10616 [1,1,0,0,0,0|0,0,0]=2 50 B12R1.43 C[C@@H](CC1=NC=CC=C1)C(=O)O F14472 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.43 C[C@@H](CC1=NC=CC=N1)C(=O)O W18320 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.43 C[C@H](NC1=CC=CC=C1)C(=O)O D82882 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.43 C[C@H](OC1=NC=CC=C1)C(=O)O W18936 [1,1,0,0,0,0|2,0,0]=4 54 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O C73515 [1,1,0,0,0,0|1,0,0]=3 55 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O F16404 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.43 O=C(O)[C@@H](Br)CC1=CC=CC=C1 F16780 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [1,1,0,0,0,0|0,0,1]=3 58 B12R1.118 N#C[C@H](CO)CC1=CC=CC=C1 AC5751 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.118 OCC(CO)CC1=CC=CC=C1 20620 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.39 CC(C)(CC=O)C1=CC=CC=C1 C75972 [0,1,0,0,1,0|1,0,0]=3 61 B12R1.107 C=C(NC(C)=O)C1=CC=CC=C1 84827 [0,1,0,0,1,0|0,0,2]=4 62 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 C74093 [0,1,0,0,1,0|2,0,0]=4 63 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.107 C[C@@H](CC(=O)O)C1=NC=CC=C1 D93591 [0,1,0,0,1,0|2,0,0]=4 66 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O 62361 [0,1,0,0,0,1|2,0,0]=4 67 B14R1.818 N[C@@H](CCC1=CC=CC=C1)CC(=O)O D86826 [0,1,0,0,0,1|2,0,0]=4 68 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Br)C=C1 FD10040 [0,2,0,0,0,0|2,0,0]=4 69 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(Cl)C=C1 F15997 [0,2,0,0,0,0|2,0,0]=4 70 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 AC1733 [0,2,0,0,0,0|2,0,0]=4 71 B14R1.698 N[C@@H](CC(=O)O)CC1=CC=C(O)C=C1 F12119 [0,2,0,0,0,0|2,0,0]=4 72 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(Cl)=C1 77807 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.5978 N[C@@H](CC(=O)O)CC1=CC=CC(F)=C1 77779 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.549 CC(=O)N[C@H](CO)CC1=CC=CC=C1 C75463 [0,2,0,0,0,0|0,0,0]=2 75 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O F10610 [0,2,0,0,0,0|0,0,1]=3 76 B14R1.980 O=CN[C@@H](CC1=CC=CC=C1)C(=O)O T72675 [0,2,0,0,0,0|0,0,1]=3 77 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O 51920 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.425 N[C@H](CC1=CC=CC=C1)[C@H](O)C(=O)O C16095 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.337 CC1=C(C[C@@H](N)CC(=O)O)C=CC=C1 77784 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.337 N[C@@H](CC(=O)O)CC1=C(Br)C=CC=C1 FD10080 [0,2,0,0,0,0|2,0,0]=4 81 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [1,0,0,1,0,0|1,0,1]=4 82 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [1,0,0,1,0,0|1,0,1]=4 83 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [1,0,0,1,0,0|1,0,1]=4 84 B12R2.23 O=C1CCN1C2=CC=CC=C2 W16382 [1,0,0,1,0,0|2,0,0]=4 85 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.27 O=CC1CC1C2=CC=NC=C2 30186 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.41 C1=CC2=C(C=C1)CCNCC2 52717 [1,0,0,1,0,0|1,0,1]=4 88 B12R2.1081 O=C1CCCC2=C1C=CN=C2 51824 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.1081 O=C1CCCC2=C1C=CN=C2 Y10029 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.1081 O=C1CCCC2=C1C=NC=C2 60208 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1081 O=C1NCCC2=C1C=CC=N2 78448 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.1081 O=C1NCCC2=C1C=NC=C2 P11596 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.32 BrCC1CC2=C(C=CC=C2)C1 83149 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.2028 CN1NC(=O)C2=C1C=CC=C2 C71035 [0,0,0,1,1,0|1,0,0]=3 95 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 72362 [0,0,0,1,1,0|0,0,0]=2 96 B12R2.2028 N[C@H]1NC(=O)C2=C1C=CC=C2 Y10046 [0,0,0,1,1,0|1,0,0]=3 97 B14R2.101 C1=CC=C(COC2CC=CC2)C=C1 83541 [0,0,0,1,0,1|2,0,0]=4 98 B14R2.101 C1=CC=C(OC[C@H]2CCCN2)C=C1 C77851 [0,0,0,1,0,1|1,0,1]=4 99 B14R2.598 O=C1NC(=O)[C@@H](C2=CC=CC=C2)O1 D81737 [0,0,0,1,0,1|1,0,1]=4 100 B14R2.8235 CC1=CC2=C(C=C1)N=C(C)NC2=O AR3680 [0,1,0,1,0,0|1,0,1]=4 101 B14R2.8235 CC1=NC2=C(C=C(F)C=C2)C(=O)N1 90635 [0,1,0,1,0,0|1,0,1]=4 102 B14R2.29365 CC1=CC2=C(C=CC(Br)=C2)C(=O)N1 87801 [0,1,0,1,0,0|0,0,2]=4 103 B14R2.29365 O=C1CC2=C(C=CC(Br)=C2)C(=O)N1 79307 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.6 C1=CC=C(C[C@H]2CCCCN2)C=C1 73429 [0,1,0,1,0,0|1,0,1]=4 105 B14R2.6 C1=CC=C(C[C@H]2CNCCN2)C=C1 AT17628 [0,1,0,1,0,0|1,0,1]=4 106 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 77673 [0,1,0,1,0,0|0,0,2]=4 107 B14R2.6 C1=CC=C(C[C@H]2COCCN2)C=C1 FD6024 [0,1,0,1,0,0|0,0,2]=4 108 B14R2.19 O=C1NN=C(CC2=CC=CC=C2)N1 A11883 [0,1,0,1,0,0|1,0,1]=4 109 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56487 [0,1,0,1,0,0|0,0,0]=2 110 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CS1 56489 [0,1,0,1,0,0|0,0,0]=2 111 B14R2.1019 O=C1NC(CCl)=NC2=C1C=CC=C2 W12220 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.8045 O=C1CC2=C(Br)C=CC=C2C(=O)N1 D80046 [0,1,0,1,0,0|1,0,1]=4 113 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,0,0,0,1,0|2,0,0]=4 114 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,0,0,0,1,0|2,0,0]=4 115 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,0,0,0,1,0|2,0,0]=4 116 B10R1.15 CN(C=O)C1=NC=CC=C1 A12745 [1,0,0,0,1,0|2,0,0]=4 117 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,0,0,0,1,0|1,0,0]=3