0 B11R1.17 O=CCOC1=C(Cl)C=CC=C1 H11067 [0,0,0,0,0,0|3,1,0]=4 1 B11R1.17 OCCCC1=C(O)C=CN=C1 D74335 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.4 CNCC1=C(Br)C=NC=C1 AT26684 [1,0,0,0,0,0|1,1,0]=3 3 B10R1.4 OCCC1=C(Br)C=NC=C1 AT12936 [1,0,0,0,0,0|2,1,0]=4 4 B10R1.4 OCCC1=C(Br)C=NC=C1 D77127 [1,0,0,0,0,0|2,1,0]=4 5 B10R1.17 ICCCC1=CN=CC=C1 E70092 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.25 FC1=CC=CC(OCCBr)=C1F AT22369 [0,1,0,0,0,0|3,0,0]=4 7 B12R1.308 COC[C@H](N)C1=C(F)C=CC=C1 Y14845 [0,1,0,0,0,0|1,0,0]=2 8 B12R1.308 OCC[C@H](O)C1=C(Br)C=CC=C1 AT23930 [0,1,0,0,0,0|2,1,0]=4 9 B12R1.1631 FC1=CC=CC(F)=C1OCCBr AT22368 [0,1,0,0,0,0|3,0,0]=4 10 B12R2.41 C1=CN=C2CCNCCC2=C1 P12285 [0,0,0,1,0,0|2,0,0]=3 11 B12R2.196 [2H]C1=CC=CC2=C1C=CN2C AC5544 [0,0,0,1,0,0|1,0,2]=4 12 B12R2.517 BrC1=C(C2CCC2)N=CC=C1 AT26728 [0,0,0,1,0,0|2,1,0]=4 13 B12R2.517 BrC1=C([C@@H]2CCO2)C=CC=C1 AT23933 [0,0,0,1,0,0|2,1,0]=4 14 B12R2.517 FC1=C([C@@H]2CCN2)C=CC=C1 AT25420 [0,0,0,1,0,0|2,0,0]=3 15 B12R2.517 FC1=NC=CC=C1C2CNC2 84094 [0,0,0,1,0,0|1,0,0]=2 16 B12R2.1081 BrC1=C2CCNCC2=CN=C1 F53720 [0,0,0,1,0,0|1,1,0]=3 17 B12R2.1081 ClC1=C2CCNCC2=NC=C1 D76679 [0,0,0,1,0,0|1,1,0]=3 18 B12R2.1081 NC1=C2COCCC2=CC=C1 98368 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.1081 O=C1C=CN=C2CNCCN12 F30424 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.8 CCOC1=CN=CC=C1 F31361 [2,0,0,0,0,0|2,0,0]=4 21 B9R1.8 CNCC1=CN=NC=C1 P12145 [2,0,0,0,0,0|2,0,0]=4 22 B9R1.8 ClCCC1=CN=CC=C1 D87792 [2,0,0,0,0,0|2,0,0]=4 23 B9R1.8 SCCC1=CN=CC=C1 F18092 [2,0,0,0,0,0|2,0,0]=4 24 B9R1.15 NCC1=C(F)C=CN=C1 C90217 [2,0,0,0,0,0|1,0,0]=3 25 B9R1.15 NCC1=CC=CNC1=O D76881 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.15 NCC1=NC=CN=C1F C91950 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.41 COCC1=C(CO)C=CC=C1 C16099 [1,1,0,0,0,0|2,0,0]=4 28 B11R1.81 FC1=C(CCBr)C=CC(Br)=C1 AC8494 [1,1,0,0,0,0|1,0,0]=3 29 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13430 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.182 CCCN1C=C(N)C=CC1=O AT19281 [1,1,0,0,0,0|2,0,0]=4 31 B11R1.182 N#CCC1=C(F)C=CC(O)=C1 AC9338 [1,1,0,0,0,0|0,0,2]=4 32 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 AT26732 [1,1,0,0,0,0|0,0,0]=2 33 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13417 [1,1,0,0,0,0|0,1,0]=3 34 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13440 [1,1,0,0,0,0|0,1,0]=3 35 B11R1.222 O[C@@H](CF)C1=CC=CN=C1F AT10159 [1,1,0,0,0,0|2,0,0]=4 36 B11R1.605 NC1=CC=CC(Br)=C1CCO AT22850 [1,1,0,0,0,0|1,1,0]=4 37 B11R1.1 C#CCCC1=CC=C(Cl)C=C1 D75651 [1,1,0,0,0,0|1,0,1]=4 38 B11R1.24 C#CCCC1=CC=CC(Cl)=C1 D75653 [1,1,0,0,0,0|1,0,1]=4 39 B11R1.24 COCOC1=CC=CC(Br)=C1 C11085 [1,1,0,0,0,0|2,0,0]=4 40 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [1,1,0,0,0,0|2,0,0]=4 41 B11R1.40 CNC(=O)NC1=CC=CC=C1 D77088 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.40 COC(=N)CC1=CC=CC=C1 C10559 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.40 N#C[C@@H](N)CC1=CC=CC=C1 D76472 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6790 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 AC6791 [1,1,0,0,0,0|2,0,0]=4 46 B11R1.91 C[C@H](O)CCC1=CC=NC=C1 AT24513 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.12 COC[C@H](N)C1=C(Cl)C(C)=CC=C1 Y14511 [0,2,0,0,0,0|1,1,0]=4 48 B13R1.12 COC[C@H](N)C1=C(Cl)C(C)=CC=C1 Y14551 [0,2,0,0,0,0|1,1,0]=4 49 B13R1.164 CN(C)CCN1C=CC(Br)=CC1=O D76484 [0,2,0,0,0,0|2,0,0]=4 50 B13R1.1511 COC[C@H](N)C1=C(Cl)C=C(Br)C=C1 Y14199 [0,2,0,0,0,0|1,1,0]=4 51 B13R1.1511 COC[C@H](N)C1=C(Cl)C=C(Br)C=C1 Y14226 [0,2,0,0,0,0|1,1,0]=4 52 B13R1.1511 COC[C@H](N)C1=C(Cl)C=C(Br)C=C1 Y14243 [0,2,0,0,0,0|1,1,0]=4 53 B13R1.464 CCC[C@H](N)C1=C(CO)C=CC=C1 Y12546 [0,2,0,0,0,0|2,0,0]=4 54 B13R1.464 CCC[C@H](N)C1=C(CO)C=CC=C1 Y12547 [0,2,0,0,0,0|2,0,0]=4 55 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12900 [0,2,0,0,0,0|2,0,0]=4 56 B13R1.446 COC[C@H](N)C1=C(C)C=CC(C)=C1 Y12923 [0,2,0,0,0,0|2,0,0]=4 57 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14122 [0,2,0,0,0,0|1,1,0]=4 58 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14228 [0,2,0,0,0,0|1,1,0]=4 59 B13R1.446 COC[C@H](N)C1=C(Cl)C=CC(Cl)=C1 Y14245 [0,2,0,0,0,0|1,1,0]=4 60 B13R1.446 N[C@@H](CCO)C1=C(F)C=CC(Br)=C1 Y12234 [0,2,0,0,0,0|2,0,0]=4 61 B13R1.446 N[C@@H](CCO)C1=C(F)C=CC(Br)=C1 Y12235 [0,2,0,0,0,0|2,0,0]=4 62 B11R2.10 IC1CC2=C(C=CC=C2)C1 H10270 [1,0,0,1,0,0|2,0,0]=4 63 B11R2.10 N[C@H]1CC2=CC=CN=C2C1 AT25949 [1,0,0,1,0,0|2,0,0]=4 64 B11R2.20 C1=CC2=C(C=N1)NCCC2 AT25892 [1,0,0,1,0,0|2,0,0]=4 65 B11R2.20 C1=CC2=C(CCCO2)N=C1 85303 [1,0,0,1,0,0|2,0,0]=4 66 B11R2.55 BrC1=C(C2CC2)C=NC=C1 AT10334 [1,0,0,1,0,0|1,1,0]=4 67 B11R2.55 IC1=C(C2CC2)C=CN=C1 AT16335 [1,0,0,1,0,0|1,1,0]=4 68 B11R2.55 NC1=C(C2CC2)C=NC=C1 O10997 [1,0,0,1,0,0|2,0,0]=4 69 B11R2.106 BrC1=C2CNCC2=NC=C1 P19420 [1,0,0,1,0,0|1,1,0]=4 70 B11R2.106 IC1=C2CCNC2=CC=C1 F13717 [1,0,0,1,0,0|0,1,0]=3 71 B11R2.106 O=C1C=CC=C2CCCN12 AT22965 [1,0,0,1,0,0|2,0,0]=4 72 B11R2.106 OC1=C2CCNC2=NC=C1 D72164 [1,0,0,1,0,0|2,0,0]=4 73 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E73009 [1,0,0,1,0,0|2,0,0]=4 74 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 P15599 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19381 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.239 C1=CN=CC(C2CNC2)=C1 AT10105 [1,0,0,1,0,0|1,0,0]=3 77 B13R2.4820 BrC1=C2CCNCCC2=CC=C1 AT24799 [0,1,0,1,0,0|0,1,0]=3 78 B13R2.4820 ClC1=C2CCNCCC2=CC=C1 D74800 [0,1,0,1,0,0|0,1,0]=3 79 B13R2.4820 NC1=C2NCCCCC2=CC=C1 P20139 [0,1,0,1,0,0|2,0,0]=4 80 B13R2.328 CC1=CC(Br)=CC2=C1CCNC2 AT22641 [0,1,0,1,0,0|1,0,0]=3 81 B13R2.328 FC1=C2NCCCC2=CC(Br)=C1 D87023 [0,1,0,1,0,0|2,0,0]=4 82 B13R2.13518 CC1=CC(C)=C(C2CNC2)C=C1 AT15447 [0,1,0,1,0,0|1,0,0]=3 83 B13R2.13518 FC1=CC(F)=C(C2CNC2)C=C1 85618 [0,1,0,1,0,0|0,0,0]=2 84 B13R2.57 CN[C@@H]1CNC2=C(C=CC=C2)C1 C12231 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 D76700 [0,1,0,1,0,0|2,0,0]=4 86 B13R2.2528 N#CC1=C(C2CNC2)C=CC=C1 AT15491 [0,1,0,1,0,0|1,0,0]=3 87 B13R2.2528 NCC1=C(C2CCC2)C=CC=C1 E73349 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.216 O=C1CC(C2=C(Br)C=CC=C2)C1 AT14144 [0,1,0,1,0,0|1,1,0]=4 89 B13R2.4848 CC1(C)CNC2=C(F)C=CC=C21 C90695 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.18 FC1=C([C@@H]2CCCN2)C=CN=C1 D96325 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.18 NC1=C(C2CCCC2)C=CC=C1 79075 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.18 NC1=C([C@@H]2CCCN2)C=CC=C1 AC3119 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.342 C[C@@H]1NCCC2=C(Br)C=CC=C21 AT22645 [0,1,0,1,0,0|0,1,0]=3 94 B13R2.5225 BrC1=C(CC2CNC2)C=CC=C1 E73106 [0,1,0,1,0,0|0,1,0]=3 95 B13R2.5225 BrC1=C(CC2COC2)C=CC=C1 86792 [0,1,0,1,0,0|1,1,0]=4 96 B13R2.5225 NC1=C(OC2CCC2)C=CC=C1 AT26868 [0,1,0,1,0,0|2,0,0]=4 97 B13R2.3569 CC1=C(C2(N)CCC2)C=CC=C1 69076 [0,1,0,1,0,0|2,0,0]=4 98 B13R2.3569 CC1=C(C2(N)CCC2)C=CC=C1 AC3018 [0,1,0,1,0,0|2,0,0]=4 99 B13R2.3569 NC1(C2=C(Cl)C=CC=C2)CCC1 AC3287 [0,1,0,1,0,0|1,1,0]=4 100 B13R2.3569 NC1(C2=C(F)C=CC=N2)CCC1 AT14066 [0,1,0,1,0,0|2,0,0]=4 101 B13R2.3569 NC1=C(C2(N)CCC2)C=CC=C1 AC3774 [0,1,0,1,0,0|2,0,0]=4 102 B13R2.4825 CN1C(=O)CC2=C1C=CC=C2N AC8496 [0,1,0,1,0,0|1,0,1]=4 103 B13R2.371 OC1=C2CNCCC2=C(F)C=C1 AT24055 [0,1,0,1,0,0|0,0,0]=2