0 B11R1.17 CO\N=C\C1=C(N)C=CC=C1 D79908 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.4 FC1=C(C#CBr)C=CC=C1 D79955 [1,0,0,0,0,0|1,0,2]=4 2 B10R1.17 NNCCC1=CC=CC=C1 74134 [1,0,0,0,0,0|1,0,0]=2 3 B12R1.69 CN\C=N\C1=C(C)C=C(C)C=C1 D80007 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13916 [0,1,0,0,0,0|2,1,0]=4 5 B12R1.308 N#CC[C@H](N)C1=C(Br)C=CC=C1 Y13917 [0,1,0,0,0,0|2,1,0]=4 6 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13681 [0,1,0,0,0,0|2,1,0]=4 7 B12R1.308 N#CC[C@H](N)C1=C(Cl)C=CC=C1 Y13682 [0,1,0,0,0,0|2,1,0]=4 8 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D79125 [0,0,0,1,0,0|3,0,0]=4 9 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 D96708 [0,0,0,1,0,0|3,0,0]=4 10 B12R2.32 C#CC1CC2=C(C=CC=C2)C1 C12344 [0,0,0,1,0,0|2,0,1]=4 11 B12R2.115 NC1CC1C2=C(F)C=CC=C2 D85587 [0,0,0,1,0,0|2,0,0]=3 12 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 N13212 [0,0,0,1,0,0|2,1,0]=4 13 B12R2.196 N[C@H]1CCC2=C(Cl)C=CC=C21 Y13708 [0,0,0,1,0,0|2,1,0]=4 14 B12R2.196 N[C@H]1COC2=C(F)C=CC=C21 N11266 [0,0,0,1,0,0|3,0,0]=4 15 B12R2.196 O[C@H]1CCC2=C(Br)C=CC=C21 W15007 [0,0,0,1,0,0|2,1,0]=4 16 B12R2.517 FC1=C(C2CNC2)C=CC=C1 D96803 [0,0,0,1,0,0|0,0,0]=1 17 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Y13909 [0,0,0,1,0,0|2,1,0]=4 18 B12R2.1081 ClC1=C2CCCCC2=NC=C1 O11216 [0,0,0,1,0,0|2,1,0]=4 19 B12R2.1081 ClC1=NC=CC2=C1CCCC2 53693 [0,0,0,1,0,0|2,1,0]=4 20 B12R2.1081 FC1=C2CCCCC2=CC=C1 Y14505 [0,0,0,1,0,0|1,0,0]=2 21 B12R2.1081 NC1=C2COCCC2=CC=C1 W16157 [0,0,0,1,0,0|3,0,0]=4 22 B12R2.1081 O=C1C=CC=C2CNCCN12 F30423 [0,0,0,1,0,0|2,0,0]=3 23 B12R2.1081 O=C1NC=CC2=C1CCCC2 54630 [0,0,0,1,0,0|3,0,0]=4 24 B12R2.1081 O=C1NC=CC2=C1CCNC2 67456 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.8 CSCC1=NC=CC=C1 W19655 [2,0,0,0,0,0|2,0,0]=4 26 B9R1.8 NNCC1=CC=NC=C1 78931 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.15 NCC1=C(Cl)C=CN=C1 D72882 [2,0,0,0,0,0|1,1,0]=4 28 B9R1.15 NCC1=C(O)C=NC=C1 C11102 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.13 CCCC1=CC=CC(O)=C1O D82476 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.41 N#CC1=C(CCN)C=CC=C1 59512 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.86 C[C@H](N)CC1=C(F)C=CC=C1 D96033 [1,1,0,0,0,0|0,0,0]=2 32 B11R1.28 CCOCCC1=NC=CC=C1 D72160 [1,1,0,0,0,0|2,0,0]=4 33 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13611 [1,1,0,0,0,0|1,0,0]=3 34 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 Y13862 [1,1,0,0,0,0|1,0,0]=3 35 B13R1.572 COCCC1=C(B(O)O)C=CC=C1 78744 [0,2,0,0,0,0|2,0,0]=4 36 B13R1.446 C=CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12879 [0,2,0,0,0,0|1,0,1]=4 37 B13R1.446 C=CC[C@H](N)C1=C(F)C=CC(Br)=C1 Y12911 [0,2,0,0,0,0|1,0,1]=4 38 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13196 [0,2,0,0,0,0|1,1,0]=4 39 B13R1.446 CCC[C@H](N)C1=C(Br)C=CC(Br)=C1 Y13211 [0,2,0,0,0,0|1,1,0]=4 40 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12139 [0,2,0,0,0,0|2,0,0]=4 41 B13R1.446 CCC[C@H](N)C1=C(C)C=CC(F)=C1 Y12140 [0,2,0,0,0,0|2,0,0]=4 42 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11990 [0,2,0,0,0,0|1,0,0]=3 43 B13R1.446 CCC[C@H](N)C1=C(F)C=CC(Br)=C1 Y11991 [0,2,0,0,0,0|1,0,0]=3 44 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y11676 [0,2,0,0,0,0|2,0,0]=4 45 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y12490 [0,2,0,0,0,0|2,0,0]=4 46 B13R1.446 CCC[C@H](N)C1=C(N)C=CC(F)=C1 Y12999 [0,2,0,0,0,0|2,0,0]=4 47 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y12319 [0,2,0,0,0,0|1,0,0]=3 48 B13R1.4453 CCC[C@H](N)C1=C(Br)C=CC=C1F Y13326 [0,2,0,0,0,0|1,0,0]=3 49 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 93643 [1,0,0,1,0,0|2,0,0]=4 50 B11R2.20 C1=CC2=C(C=N1)CCNC2 C75219 [1,0,0,1,0,0|2,0,0]=4 51 B11R2.55 ClC1=C(C2CC2)C=NC=C1 N13247 [1,0,0,1,0,0|1,1,0]=4 52 B11R2.106 BrC1=C2CCNC2=CN=C1 P18819 [1,0,0,1,0,0|1,1,0]=4 53 B11R2.106 BrC1=C2CCNC2=NC=C1 P12726 [1,0,0,1,0,0|1,1,0]=4 54 B11R2.106 CC1=CC=CC2=C1CNC2 78626 [1,0,0,1,0,0|1,0,0]=3 55 B11R2.106 IC1=C2OCCC2=CC=C1 W19055 [1,0,0,1,0,0|1,1,0]=4 56 B11R2.106 NC1=CC=CC2=C1CCO2 Y11109 [1,0,0,1,0,0|2,0,0]=4 57 B11R2.106 OC1=C2CNCC2=CC=C1 F10254 [1,0,0,1,0,0|1,0,0]=3 58 B11R2.1 C[C@H]1CCC2=C1C=CC=C2 A12834 [1,0,0,1,0,0|1,0,0]=3 59 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D72211 [1,0,0,1,0,0|2,0,0]=4 60 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P19281 [1,0,0,1,0,0|2,0,0]=4 61 B11R2.239 C1=CC=C(C2CNC2)C=C1 P11102 [1,0,0,1,0,0|0,0,0]=2 62 B13R2.328 CC1=CC(Br)=CC2=C1CCNC2 P20696 [0,1,0,1,0,0|1,0,0]=3 63 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,1,0,1,0,0|2,0,0]=4 64 B13R2.13518 FC1=CC(F)=C(C2CNC2)C=C1 C93528 [0,1,0,1,0,0|0,0,0]=2 65 B13R2.621 COC1=C(C[C@H]2CO2)C=CC=C1 79731 [0,1,0,1,0,0|2,0,0]=4 66 B13R2.5179 CC1=CC=CC2=C1CCC(=O)C2 H10281 [0,1,0,1,0,0|2,0,0]=4 67 B13R2.5179 O=C1CCC2=C(F)C=CC=C2C1 Y11718 [0,1,0,1,0,0|1,0,0]=3 68 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y13690 [0,1,0,1,0,0|2,0,0]=4 69 B13R2.342 CC1=CC=CC2=C1CCC[C@@H]2N Y11818 [0,1,0,1,0,0|2,0,0]=4 70 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 D85264 [0,1,0,1,0,0|2,0,0]=4 71 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13673 [0,1,0,1,0,0|2,0,0]=4 72 B13R2.342 N[C@H]1CCCC2=C(O)C=CC=C21 Y13675 [0,1,0,1,0,0|2,0,0]=4 73 B13R2.4818 O=C1CCCC2=CC=CC(F)=C12 28171 [0,1,0,1,0,0|1,0,1]=4 74 B13R2.371 NC1=C2NCCCC2=C(F)C=C1 P20146 [0,1,0,1,0,0|2,0,0]=4 75 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 N10996 [0,1,0,1,0,0|2,0,0]=4 76 B13R2.5151 N[C@H]1CCC2=C(F)C=CC(F)=C21 Y11020 [0,1,0,1,0,0|2,0,0]=4