0 B9R0.5 CCOC(=O)CCCNC AB10379 [0,0,0,0,0,0|1,0,3]=4 1 B9R0.5 CCOC(=O)N\N=C\CCl F18063 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.1 CCOC(=O)\C=C\CN 86087 [1,0,0,0,0,0|1,0,1]=3 3 B10R0.19 C=CCCC(=O)C(=O)OCC F51472 [0,1,0,0,0,0|0,0,3]=4 4 B10R0.19 C\C=C\C[C@H](C)C(=O)OCC W16076 [0,1,0,0,0,0|0,0,2]=3 5 B10R1.10 CC1=CC=CC(CCBr)=N1 AC6969 [0,0,0,1,0,0|3,0,0]=4 6 B10R1.10 CC1=CC=CC(CCN)=N1 P19093 [0,0,0,1,0,0|3,0,0]=4 7 B10R1.10 CCCC1=CC=CC(F)=C1 36946 [0,0,0,1,0,0|3,0,0]=4 8 B10R1.10 CCNC1=CC=CC(Cl)=C1 L10102 [0,0,0,1,0,0|3,0,0]=4 9 B10R1.10 CCNC1=CC=CC(O)=C1 F16135 [0,0,0,1,0,0|3,0,0]=4 10 B10R1.10 CCOC1=CC=CC(S)=C1 T73015 [0,0,0,1,0,0|2,0,0]=3 11 B10R1.10 CCOC1=NC(N)=NC=C1 AT18300 [0,0,0,1,0,0|3,0,0]=4 12 B10R1.10 CCOC1=NC=CC(Br)=N1 70402 [0,0,0,1,0,0|3,0,0]=4 13 B10R1.10 CCOC1=NC=CC(Cl)=N1 I11353 [0,0,0,1,0,0|3,0,0]=4 14 B10R1.10 CCSC1=CC(N)=CC=C1 AT20857 [0,0,0,1,0,0|2,1,0]=4 15 B10R1.10 CNCC1=NC(C)=CC=C1 D87644 [0,0,0,1,0,0|3,0,0]=4 16 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [0,0,0,1,0,0|2,0,0]=3 17 B10R1.11 CCOC(=O)C1=CN=NN1 29441 [0,0,0,1,0,0|3,0,0]=4 18 B10R1.11 CCOC(=O)C1=NC=NS1 AC6985 [0,0,0,1,0,0|3,0,0]=4 19 B10R1.11 CCOC(=O)N1C=CCC1 C16232 [0,0,0,1,0,0|1,0,1]=3 20 B10R1.11 CCOC(=O)N1CC=CC1 C16247 [0,0,0,1,0,0|1,0,1]=3 21 B10R1.11 CCOC(=O)[C@@H]1CC=NN1 27528 [0,0,0,1,0,0|2,0,1]=4 22 B10R1.11 COCC(=O)C1=CC=CO1 AT17460 [0,0,0,1,0,0|3,0,0]=4 23 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.96 CCOC1=CC=C(C=O)O1 AT17093 [0,0,0,1,0,0|1,0,1]=3 25 B10R1.245 CC1=C(CN)C(=O)NC=C1 F18093 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.245 CC1=CC=CC(Br)=C1CO D96259 [0,0,0,1,0,0|3,0,0]=4 27 B10R1.245 CC1=CC=CC(N)=C1CO AC6550 [0,0,0,1,0,0|3,0,0]=4 28 B7R0.1 C=CC\C=C\CCC T72633 [2,0,0,0,0,0|1,0,1]=4 29 B7R0.3 COC(=O)\C=C\C=O D90666 [2,0,0,0,0,0|1,0,0]=3 30 B7R0.3 COC(=O)\C=C\CO AT12483 [2,0,0,0,0,0|1,0,1]=4 31 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [2,0,0,0,0,0|2,0,0]=4 32 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [2,0,0,0,0,0|1,0,0]=3 33 B7R0.4 CC\C=C/CC(=O)O F18341 [2,0,0,0,0,0|0,0,2]=4 34 B7R0.4 COC\C=C\C(=O)O P17072 [2,0,0,0,0,0|1,0,1]=4 35 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [1,1,0,0,0,0|0,0,2]=4 36 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [1,1,0,0,0,0|1,0,1]=4 37 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] C90276 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [1,1,0,0,0,0|0,0,1]=3 39 B9R0.48 CCOC(=O)\C=C\C(F)F 72388 [1,1,0,0,0,0|1,0,1]=4 40 B11R0.4 CCC\C=C\CCC(=O)OCC E70248 [0,2,0,0,0,0|0,0,2]=4 41 B11R0.155 CCO\C=C\C(=O)C(=O)OCC 89848 [0,2,0,0,0,0|0,0,1]=3 42 B11R0.59 CCOC(=O)C(=O)\C=C\N(C)C A12749 [0,2,0,0,0,0|1,0,0]=3 43 B9R1.2 COC1=CC(=O)CCC1 63648 [1,0,0,1,0,0|2,0,0]=4 44 B9R1.69 CC1=C(C)NC(=O)C=C1 F52969 [1,0,0,1,0,0|1,0,1]=4 45 B9R1.3 CC1=CC=CC(S)=C1C F20973 [1,0,0,1,0,0|0,1,1]=4 46 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [1,0,0,1,0,0|2,0,0]=4 47 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [1,0,0,1,0,0|2,0,0]=4 48 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [1,0,0,1,0,0|2,0,0]=4 49 B9R1.21 COC1=CC=C(C=O)O1 AT17092 [1,0,0,1,0,0|1,0,1]=4 50 B9R1.21 COC1=CC=C(C=O)S1 F53534 [1,0,0,1,0,0|1,1,0]=4 51 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,1,0,1,0,0|1,0,1]=4 52 B11R1.16 CCOC(=O)C1=CCCCO1 S11628 [0,1,0,1,0,0|0,0,2]=4 53 B11R1.16 CCOC(=O)C1=COCCC1 F52657 [0,1,0,1,0,0|0,0,2]=4 54 B11R1.24 BrCCOC1=CC=CC(Br)=C1 98063 [0,1,0,1,0,0|2,0,0]=4 55 B11R1.24 CC1=CC=CC(OCCO)=N1 N10107 [0,1,0,1,0,0|1,0,0]=3 56 B11R1.24 CCOCC1=CC=CC(Br)=C1 F17773 [0,1,0,1,0,0|2,0,0]=4 57 B11R1.24 NC1=CC=CC(OCCO)=C1 C78268 [0,1,0,1,0,0|2,0,0]=4 58 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,1,0,1,0,0|1,0,0]=3 59 B11R1.30 CCOC(=O)CC1=NC=CN1 F17295 [0,1,0,1,0,0|1,0,1]=4 60 B11R1.30 CCOC(=O)NC1=CC=CS1 AC2824 [0,1,0,1,0,0|1,0,0]=3 61 B11R1.189 CCCC1=CC=CC(OC)=C1 AC9509 [0,1,0,1,0,0|2,0,0]=4 62 B11R1.189 CCOC1=CC(C=O)=CN=C1 N12988 [0,1,0,1,0,0|2,0,0]=4 63 B11R1.189 CCOC1=CC(C=O)=NC=C1 C15039 [0,1,0,1,0,0|2,0,0]=4 64 B11R1.189 CCOC1=CC(CN)=CC=C1 N12140 [0,1,0,1,0,0|1,0,0]=3 65 B11R1.189 CCOC1=NC=CC(C=O)=C1 AT18194 [0,1,0,1,0,0|2,0,0]=4 66 B11R1.199 CCOC(=O)C1=C(C)C=NO1 A51018 [0,1,0,1,0,0|1,0,0]=3 67 B11R1.199 CCOC(=O)C1=C(Cl)N=CO1 S11634 [0,1,0,1,0,0|2,0,0]=4 68 B11R1.199 CCOC(=O)C1=C(N)C=CS1 50682 [0,1,0,1,0,0|1,0,0]=3 69 B11R1.199 CCOC(=O)C1=C(N)C=NN1 82617 [0,1,0,1,0,0|2,0,0]=4 70 B11R1.199 CCOC(=O)C1=C(N)SC=N1 F17245 [0,1,0,1,0,0|2,0,0]=4 71 B11R1.199 CCOC(=O)C1=CON=C1Br AT19726 [0,1,0,1,0,0|2,0,0]=4 72 B11R1.199 CCOC(=O)C1=CON=C1C O11781 [0,1,0,1,0,0|1,0,0]=3 73 B11R1.199 CCOC(=O)C1=CSC=C1C 72423 [0,1,0,1,0,0|0,0,0]=2 74 B11R1.199 CCOC(=O)[C@@H]1NCC=C1C F12646 [0,1,0,1,0,0|0,0,2]=4 75 B11R1.34 CCOC1=CC(Br)=CC(Br)=C1 N11666 [0,1,0,1,0,0|2,0,0]=4 76 B11R1.34 CCOC1=CC(N)=CC(Cl)=N1 S12144 [0,1,0,1,0,0|2,0,0]=4 77 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 L10051 [0,1,0,1,0,0|2,0,0]=4 78 B11R1.15 CCOC(=O)C1=CC(C)=NO1 26405 [0,1,0,1,0,0|2,0,0]=4 79 B11R1.15 CCOC(=O)C1=CC(Cl)=CN1 68050 [0,1,0,1,0,0|1,0,0]=3 80 B11R1.15 CCOC(=O)C1=CC(I)=CN1 86090 [0,1,0,1,0,0|1,0,0]=3 81 B11R1.15 CCOC(=O)C1=CN=C(C)O1 F14065 [0,1,0,1,0,0|1,0,0]=3 82 B11R1.15 CCOC(=O)C1=COC(I)=N1 O11756 [0,1,0,1,0,0|2,0,0]=4 83 B11R1.15 CCOC(=O)C1=CSC(=S)N1 W17120 [0,1,0,1,0,0|2,0,0]=4 84 B11R1.15 CCOC(=O)C1=NC(N)=CN1 AT15617 [0,1,0,1,0,0|2,0,0]=4 85 B11R1.15 CCOC(=O)C1=NOC(Cl)=C1 AT22370 [0,1,0,1,0,0|2,0,0]=4 86 B11R1.15 CCOC(=O)C1=NSC(Br)=C1 AT25966 [0,1,0,1,0,0|2,0,0]=4 87 B11R1.124 CCOC1=CC=C(C(=O)O)S1 AC3902 [0,1,0,1,0,0|1,1,0]=4 88 B11R1.157 CC1=CC=CC(C[C@H](C)N)=C1 N11054 [0,1,0,1,0,0|2,0,0]=4 89 B11R1.43 CC(C)OC1=CC=C(C=O)O1 AT17096 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.156 CC1=CC=CC(C)=C1[C@H](C)N AT12995 [0,1,0,1,0,0|2,0,0]=4 91 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.29 NCCNC(=O)C1=CC=CO1 F21147 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.29 NCCNC(=O)C1=CC=CS1 F21146 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.182 CCOC1=C(F)C=CC(Br)=C1 H11056 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.351 CCOC(=O)\C(C)=C\C1CC1 F18298 [0,1,0,1,0,0|0,0,2]=4 97 B11R1.819 CCOC(=O)C1(N)CC=CC1 AC9000 [0,1,0,1,0,0|0,0,2]=4 98 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.192 CCOC1=CC(F)=C(O)C=C1 94989 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.192 CCOC1=CC(N)=C(N)C=C1 34477 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.192 CCOC1=NC(C)=C(N)C=C1 F51299 [0,1,0,1,0,0|1,0,0]=3 102 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [0,1,0,1,0,0|1,0,0]=3 103 B11R1.605 CCOC1=C(Cl)C=CC=C1N C77678 [0,1,0,1,0,0|2,0,0]=4 104 B11R2.35 CC1=CC=CC(C2CC2)=C1 AC9451 [0,0,0,2,0,0|2,0,0]=4 105 B11R2.35 CC1=CC=CC(C2CC2)=N1 AC9039 [0,0,0,2,0,0|2,0,0]=4 106 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [0,0,0,2,0,0|2,0,0]=4 107 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [0,0,0,2,0,0|2,0,0]=4 108 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [0,0,0,2,0,0|2,0,0]=4 109 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [0,0,0,2,0,0|2,0,0]=4 110 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [0,0,0,2,0,0|2,0,0]=4 111 B11R2.106 O=C1CCCC2=C1NC=C2 F30748 [0,0,0,2,0,0|2,0,0]=4 112 B11R2.1031 O=C(C1=CC=CO1)C2CC2 D85654 [0,0,0,2,0,0|2,0,0]=4