0 B10R1.66 O=C(O)CCC1=CC=CO1 SC-51380 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.66 O=C(O)CCC1=CSC=C1 SC-48358 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.66 O=C(O)CCN1C=CN=C1 SC-04130 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.66 O=C(O)\C=C\C1=CC=CN1 SC-39811 [0,0,0,0,0,0|2,0,2]=4 4 B9R1.12 O=CCCN1C=CC=N1 SC-31573 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.12 O=C\C=C\C1=CC=CO1 SC-35356 [1,0,0,0,0,0|0,0,2]=3 6 B9R1.12 S=C=NCC1=CC=CO1 SC-93899 [1,0,0,0,0,0|1,1,1]=4 7 B11R1.25 COC(=O)CCC1=CN=CN1 SC-12728 [0,1,0,0,0,0|2,0,0]=3 8 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O SC-91625 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.35 C[C@H](NC1=CC=CO1)C(=O)O SC-91972 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09574 [0,1,0,0,0,0|3,0,0]=4 11 B11R1.35 NC(CC1=CNC=N1)C(=O)O SC-09575 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.35 NC(CC1=CSC=C1)C(=O)O SC-20710 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O SC-11219 [0,1,0,0,0,0|1,1,0]=3 14 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-22421 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.35 N[C@@H](CC1=CNC=N1)C(=O)O SC-48587 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.35 N[C@@H](CC1=CSC=N1)C(=O)O SC-71446 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.35 O=C(O)[C@@H](O)CC1=CNC=N1 SC-66349 [0,1,0,0,0,0|3,0,0]=4 18 B11R1.35 [C@@H](N)(CC1=CNC=N1)C(=O)O SC-09573 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.75 O=C(O)CCN1C=C(Br)C=N1 SC-72513 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.77 NC(CC(=O)O)C1=CC=CS1 SC-59316 [0,1,0,0,0,0|1,1,0]=3 21 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,0,1,0,0,0|1,0,2]=4 22 B11R2.36 O=C1CCC2=C(C1)SC=N2 SC-95175 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.13 CC(=O)NC1=CSC=C1 SC-27404 [0,0,0,0,1,0|3,0,0]=4 24 B9R1.13 O=C(Cl)CC1=CC=CS1 SC-04098 [0,0,0,0,1,0|1,1,0]=3 25 B9R1.13 O=C(O)CC1=CC=CS1 SC-02081 [0,0,0,0,1,0|1,1,0]=3 26 B9R1.13 O=C(O)CC1=CC=NN1 SC-21485 [0,0,0,0,1,0|3,0,0]=4 27 B9R1.13 O=C(O)CC1=CNC=N1 SC-13980 [0,0,0,0,1,0|3,0,0]=4 28 B9R1.13 O=C(O)CC1=CNC=N1 SC-65853 [0,0,0,0,1,0|3,0,0]=4 29 B9R1.13 O=C(O)CC1=CSC=C1 SC-46447 [0,0,0,0,1,0|3,0,0]=4 30 B9R1.13 O=C(O)CC1=NC=CN1 SC-22264 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.13 O=C(O)CC1=NC=CS1 SC-65508 [0,0,0,0,1,0|2,1,0]=4 32 B9R1.13 O=C(O)CC1=NNC=C1 SC-19655 [0,0,0,0,1,0|3,0,0]=4 33 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SC-83281 [0,0,0,0,0,1|1,0,2]=4 34 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 SC-80359 [0,0,0,0,0,1|1,0,2]=4 35 B11R1.91 C[C@H](O)CCC1=CC=CC=C1 SC-A2296 [0,0,0,0,0,1|1,0,2]=4 36 B11R1.91 NC(=O)OCC1=CC=CC=C1 SC-47828 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.91 O=C(Cl)CCC1=CC=CC=C1 SC-06047 [0,0,0,0,0,1|2,0,0]=3 38 B11R1.91 O=C(O)CCC1=NC=CC=C1 SC-50767 [0,0,0,0,0,1|2,0,0]=3 39 B11R1.91 O=C(O)CCC1=NC=CC=N1 SC-22039 [0,0,0,0,0,1|2,0,0]=3 40 B11R1.91 O=C(O)CNC1=CC=CC=C1 SC-75650 [0,0,0,0,0,1|3,0,0]=4 41 B11R1.91 O=C(O)CNC1=CC=CN=C1 SC-A2839 [0,0,0,0,0,1|3,0,0]=4 42 B11R1.91 O=C(O)COC1=CC=CN=C1 SC-47923 [0,0,0,0,0,1|3,0,0]=4 43 B11R1.91 O=C(O)CSC1=NC=CC=N1 SC-77923 [0,0,0,0,0,1|3,0,0]=4 44 B8R0.9 COC(=O)CCC(C)=O SC-74448 [1,0,1,0,0,0|1,0,1]=4 45 B8R1.8 CNCC1=CC=CO1 SC-48844 [2,0,0,0,0,0|1,0,0]=3 46 B8R1.8 N#CCC1=CC=CO1 SC-40321 [2,0,0,0,0,0|1,0,1]=4 47 B8R1.8 NCCC1=CC=CN1 SC-A2537 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.8 NCCC1=CC=CS1 SC-03285 [2,0,0,0,0,0|1,1,0]=4 49 B8R1.8 O=CCC1=CC=CO1 SC-13423 [2,0,0,0,0,0|0,0,0]=2 50 B8R1.8 O=CCC1=NC=CS1 SC-72109 [2,0,0,0,0,0|1,1,0]=4 51 B10R1.23 NC(C(=O)O)C1=CC=CO1 SC-12436 [0,1,0,0,1,0|1,0,0]=3 52 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SC-01266 [0,1,0,0,0,1|2,0,0]=4 53 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SC-26484 [0,1,0,0,0,1|2,0,0]=4 54 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SC-16870 [0,1,0,0,0,1|2,0,0]=4 55 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SC-45457 [0,1,0,0,0,1|2,0,0]=4 56 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 SC-13665 [0,1,0,0,0,1|2,0,0]=4 57 B12R1.27 COC(=O)CCC1=CC=CC=C1 SC-15551 [0,1,0,0,0,1|1,0,0]=3 58 B12R1.27 COC(=O)COC1=CC=CC=C1 SC-95721 [0,1,0,0,0,1|2,0,0]=4 59 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SC-12034 [0,1,0,0,0,1|2,0,0]=4 60 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SC-21071 [0,1,0,0,0,1|2,0,0]=4 61 B12R1.27 NNC(=O)CCC1=CC=NC=C1 SC-40186 [0,1,0,0,0,1|2,0,0]=4 62 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SC-05223 [0,1,0,0,0,1|2,0,0]=4 63 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 SC-54022 [0,1,0,0,0,1|2,0,0]=4 64 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 SC-25618 [0,1,0,0,0,1|2,0,0]=4 65 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SC-A2141 [0,1,0,0,0,1|2,0,0]=4 66 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SC-09787 [0,1,0,0,0,1|2,0,0]=4 67 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O SC-01259 [0,1,0,0,0,1|2,0,0]=4 68 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SC-09766 [0,1,0,0,0,1|2,0,0]=4 69 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SC-09765 [0,1,0,0,0,1|2,0,0]=4 70 B12R1.43 N[C@H](CC1=NC=CC=C1)C(=O)O SC-03978 [0,1,0,0,0,1|2,0,0]=4 71 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SC-45736 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SC-96045 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SC-02277 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SC-06556 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.43 [C@H](N)(CC1=CC=NC=C1)C(=O)O SC-19508 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.107 CC(=O)CC(=O)C1=NC=CC=C1 SC-29302 [0,1,0,0,0,1|1,0,1]=4 77 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SC-A2836 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SC-45519 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.107 N[C@H](CC(=O)O)C1=CC=CN=C1 SC-82383 [0,1,0,0,0,1|2,0,0]=4 80 B12R1.125 CC1=CC=CC=C1CCC(=O)O SC-27982 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SC-17877 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.226 O=C(O)CCC1=CC=CC(Br)=C1 SC-13720 [0,1,0,0,0,1|2,0,0]=4 83 B12R1.15 COC(=O)CC(=O)C1=CC=CO1 SC-53632 [0,2,0,0,0,0|0,0,1]=3 84 B12R1.51 CCOC(=O)CCC1=CC=CN1 SC-21977 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.108 COC(=O)[C@@H](N)CC1=CNC=N1 SC-09591 [0,2,0,0,0,0|2,0,0]=4 86 B10R1.18 CC(=O)CC1=NC=CC=C1 SC-85146 [0,0,1,1,0,0|1,0,1]=4 87 B10R1.61 CC(=O)C1=CC=CC=C1O SC-22737 [0,0,1,1,0,0|0,0,2]=4 88 B10R1.61 CC(=O)C1=NC=CC=C1O SC-68611 [0,0,1,1,0,0|1,0,1]=4 89 B10R1.113 CC(=O)C1=CC=CC(O)=C1 SC-00606 [0,0,1,1,0,0|0,0,2]=4 90 B10R2.7 C1=CC2=C(CCNC2)N1 SC-A3416 [1,0,0,1,0,0|2,0,0]=4 91 B10R2.7 C1=CC2=C(CCNC2)S1 SC-21585 [1,0,0,1,0,0|1,1,0]=4 92 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SC-35877 [0,0,0,1,0,1|1,0,0]=3 93 B12R2.24 CC1=CC2=C(C=CC=C2)CC1 SC-88943 [0,0,0,1,0,1|2,0,0]=4 94 B12R2.24 O=C1CC2=C(C=CC=C2)CN1 SC-90927 [0,0,0,1,0,1|2,0,0]=4 95 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SC-16512 [0,0,0,1,0,1|2,0,0]=4 96 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 SC-17975 [0,0,0,1,0,1|1,0,0]=3 97 B12R2.24 O=C1CCC2=CC=CC=C2N1 SC-18489 [0,0,0,1,0,1|2,0,0]=4 98 B8R1.7 CC(=O)C1=CC=CO1 SC-00529 [0,0,0,0,2,0|0,0,0]=2 99 B8R1.7 CC(=O)C1=CN=CN1 SC-21155 [0,0,0,0,2,0|2,0,0]=4 100 B8R1.7 CC(=O)C1=CN=CS1 SC-20615 [0,0,0,0,2,0|1,1,0]=4 101 B8R1.7 CC(=O)C1=CNC=C1 SC-68845 [0,0,0,0,2,0|2,0,0]=4 102 B8R1.7 CC(=O)C1=CSC=N1 SC-66041 [0,0,0,0,2,0|2,0,0]=4 103 B8R1.7 CC(=O)C1=NC=CS1 SC-02806 [0,0,0,0,2,0|1,1,0]=4 104 B8R1.7 O=C(Cl)C1=CC=CS1 SC-77247 [0,0,0,0,2,0|1,1,0]=4 105 B8R1.7 O=C(Cl)C1=CC=NO1 SC-45312 [0,0,0,0,2,0|2,0,0]=4 106 B8R1.7 O=C(O)C1=CC=CN1 SC-54396 [0,0,0,0,2,0|2,0,0]=4 107 B8R1.7 O=C(O)C1=CC=CS1 SC-05067 [0,0,0,0,2,0|1,1,0]=4 108 B8R1.7 O=C(O)C1=CC=NO1 SC-47691 [0,0,0,0,2,0|2,0,0]=4 109 B8R1.7 O=C([O-])C1=NC=CO1 SC-51693 [0,0,0,0,2,0|2,0,0]=4 110 B10R1.17 CNCCC1=NC=CC=C1 SC-17881 [1,0,0,0,0,1|2,0,0]=4 111 B10R1.17 CNCCC1=NC=CC=C1 SC-46500 [1,0,0,0,0,1|2,0,0]=4 112 B10R1.17 O=CCCC1=CC=CC=C1 SC-79262 [1,0,0,0,0,1|1,0,0]=3 113 B10R1.17 O=CCCC1=CN=CC=C1 SC-14308 [1,0,0,0,0,1|1,0,0]=3 114 B12R1.252 O=C(Cl)CCCC1=CC=CC=C1 SC-71520 [0,0,0,0,0,2|2,0,0]=4 115 B12R1.252 O=C(Cl)COCC1=CC=CC=C1 SC-20864 [0,0,0,0,0,2|2,0,0]=4 116 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SC-22740 [0,0,0,0,0,2|2,0,0]=4 117 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SC-24828 [0,0,0,0,0,2|2,0,0]=4 118 B12R1.252 O=C(O)COCC1=CC=CC=C1 SC-11831 [0,0,0,0,0,2|2,0,0]=4