0 B11R1.40 O=CC(=O)CC1=CC=CC=C1 X3517 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.17 CCCCC1=NC=CN=C1 2999AB [1,0,0,0,0,0|3,0,0]=4 2 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,0,0,0,0,0|1,0,2]=4 3 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 NNCCC1=CC=CC=C1 5405AE [1,0,0,0,0,0|1,0,0]=2 5 B10R1.18 CC(N)CC1=CCCC=C1 7207AB [1,0,0,0,0,0|0,0,2]=3 6 B10R1.18 NC(N)=NC1=CC=CC=C1 Y8090 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [1,0,0,0,0,0|3,0,0]=4 8 B10R1.18 OB(O)CC1=CC=CC=C1 X0808 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.32 C#CCN(C)CC1=CC=CC=C1 0197AP [0,1,0,0,0,0|2,0,1]=4 10 B12R1.32 CCNC(=S)NC1=CC=CC=C1 8961AD [0,1,0,0,0,0|2,0,1]=4 11 B12R1.34 N[C@@H](CO)[C@@H](O)C1=CC=CC=C1 E606 [0,1,0,0,0,0|3,0,0]=4 12 B12R1.43 CC(=O)\C(C)=C\C1=CC=CC=C1 9899AA [0,1,0,0,0,0|1,0,2]=4 13 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,1,0,0,0,0|3,0,0]=4 14 B12R1.50 CN[C@@H](C)CC1=CC=CC(O)=C1 9146AH [0,1,0,0,0,0|0,0,0]=1 15 B12R1.194 CNC(C)(C)CC1=CC=CC=C1 O653 [0,1,0,0,0,0|0,0,0]=1 16 B12R2.18 CN1C(=S)OC2=CC=CC=C21 Y7468 [0,0,0,1,0,0|2,0,1]=4 17 B12R2.18 C[C@@H]1C2=C(C=CN=C2)C[C@@H]1O 9459AL [0,0,0,1,0,0|3,0,0]=4 18 B12R2.18 O[C@@H]1CC2=C(C=CC=C2)[C@H]1O Y9791 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [0,0,0,1,0,0|0,0,0]=1 20 B12R2.24 CC1CCC2=C(C=CC=C2)N1 U603 [0,0,0,1,0,0|2,0,0]=3 21 B12R2.24 NC1CCC2=C(C1)N=CC=C2 6045AA [0,0,0,1,0,0|3,0,0]=4 22 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,0,0,1,0,0|3,0,0]=4 23 B12R2.27 OC[C@@H]1C[C@@H]1C2=CN=CC=C2 W6480 [0,0,0,1,0,0|3,0,0]=4 24 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 0659AD [0,0,0,0,1,0|1,0,0]=2 25 B10R1.15 C[C@H](NO)C1=CC=CC=C1 9770AE [0,0,0,0,1,0|1,0,0]=2 26 B10R1.15 N#C[C@H](O)C1=CC=CC=C1 0124AA [0,0,0,0,1,0|3,0,0]=4 27 B10R1.15 N=C(NN)C1=CC=CC=C1 Y8569 [0,0,0,0,1,0|2,0,1]=4 28 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 X6055 [0,0,0,0,0,1|2,0,0]=3 29 B9R1.8 CCCC1=CN=CC=C1 6392AB [2,0,0,0,0,0|1,0,0]=3 30 B11R1.1 CCCOC1=CC=C(N)C=C1 2814AL [1,1,0,0,0,0|2,0,0]=4 31 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,1,0,0,0,0|0,0,1]=3 32 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,1,0,0,0,0|0,0,1]=3 33 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 0693AP [1,1,0,0,0,0|2,0,0]=4 34 B11R1.28 C#CCNCC1=CC=CC=C1 0757AD [1,1,0,0,0,0|1,0,1]=4 35 B11R1.28 NOCCOC1=CC=CC=C1 5219AE [1,1,0,0,0,0|2,0,0]=4 36 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [1,1,0,0,0,0|2,0,0]=4 37 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [1,1,0,0,0,0|1,0,0]=3 38 B11R1.20 CC(C)OC1=CN=C(F)C=C1 Z1060 [1,1,0,0,0,0|2,0,0]=4 39 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [1,1,0,0,0,0|0,0,0]=2 40 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [1,1,0,0,0,0|0,0,0]=2 41 B11R1.36 CC(C)[C@@H](O)C1=CC=CC=C1 N106 [1,1,0,0,0,0|0,0,0]=2 42 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7885 [1,1,0,0,0,0|0,0,0]=2 43 B11R1.86 CC(C)OC1=CC=CN=C1F Z0174 [1,1,0,0,0,0|2,0,0]=4 44 B11R1.86 CC(N)CC1=CC=CC=C1F 8826AA [1,1,0,0,0,0|0,0,0]=2 45 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Z0352 [1,1,0,0,0,0|1,0,0]=3 46 B11R1.157 CC(N)CC1=CC(O)=CC=C1 1936AJ [1,1,0,0,0,0|0,0,0]=2 47 B11R1.157 C[C@@H](N)CC1=CC=CC(O)=C1 1908AJ [1,1,0,0,0,0|0,0,0]=2 48 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5089AF [1,1,0,0,0,0|1,0,0]=3 49 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5735AF [1,1,0,0,0,0|1,0,0]=3 50 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 X9183 [0,1,0,0,1,0|2,0,0]=4 51 B13R1.14 CC[C@H](C)COC1=CC=C(N)C=C1 4426AH [0,1,0,0,0,1|1,0,0]=3 52 B13R1.15 CCC(C)NCC1=CC=CC(Cl)=C1 Z8807 [0,1,0,0,0,1|1,0,0]=3 53 B13R1.351 NC(CCC1=CC=CC=C1)C(C)C 9467AL [0,1,0,0,0,1|2,0,0]=4 54 B13R1.351 [C@H](C)(OCC1=CC=CC=C1)C(=O)O 0640AP [0,1,0,0,0,1|2,0,0]=4 55 B13R1.417 O=C[C@H](CO)OCC1=CC=CC=C1 5493AA [0,1,0,0,0,1|2,0,0]=4 56 B13R1.21 CN[C@@H](C)[C@H](O)C1=CC=C(O)C=C1 4640AB [0,2,0,0,0,0|0,0,0]=2 57 B13R1.86 COC(OC)C(C)C1=CC=CC=C1 5884AF [0,2,0,0,0,0|1,0,0]=3 58 B13R1.418 CN[C@@H](CC1=CC=CC=C1)C(N)=O Y2969 [0,2,0,0,0,0|0,0,1]=3 59 B13R1.275 CC[N+](C)(C)CC1=CC=CC=C1Br X4649 [0,2,0,0,0,0|2,0,0]=4 60 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [1,0,0,1,0,0|2,0,0]=4 61 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,1,0,0|2,0,0]=4 62 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 4694AJ [1,0,0,1,0,0|2,0,0]=4 63 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8372AH [1,0,0,1,0,0|2,0,0]=4 64 B11R2.238 C1=CC=C(CC2CN2)C=C1 6723AA [1,0,0,1,0,0|0,0,0]=2 65 B13R2.57 NC[C@@H]1CC2=CC=CC=C2CN1 8688AH [0,0,0,1,0,1|2,0,0]=4 66 B13R2.57 NC[C@@H]1CC2=CC=CC=C2CN1 9068AH [0,0,0,1,0,1|2,0,0]=4 67 B13R2.57 NC[C@H]1CC2=CC=CC=C2CN1 2043AJ [0,0,0,1,0,1|2,0,0]=4 68 B13R2.57 NNC1CCC2=CC=CC=C2C1 9013AA [0,0,0,1,0,1|1,0,0]=3 69 B13R2.15 N[C@H]1CCC[C@H]1C2=CC=CC=C2 5385AB [0,1,0,1,0,0|2,0,0]=4 70 B13R2.64 C1=CC(OC2CCNC2)=CC=N1 5815AC [0,1,0,1,0,0|2,0,0]=4 71 B13R2.64 C1=CC=C(CC2CCCN2)N=C1 4918AE [0,1,0,1,0,0|1,0,0]=3 72 B13R2.64 C1=CC=C(O[C@@H]2CCNC2)N=C1 8961AH [0,1,0,1,0,0|2,0,0]=4 73 B13R2.135 CC1=NC2=C(C=CC=C2)N1CF 3615AA [0,1,0,1,0,0|1,0,1]=4 74 B13R2.221 NC1(CC2=CC=CC=C2)CCC1 9717AH [0,1,0,1,0,0|1,0,0]=3 75 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 2335AL [0,1,0,1,0,0|1,0,1]=4 76 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 2336AL [0,1,0,1,0,0|1,0,1]=4 77 B13R2.3085 CN1C(=O)C(N)C2=C1C=CC=C2 8186AA [0,1,0,1,0,0|1,0,1]=4 78 B13R2.369 CC1NC2=CC=CC=C2NC1C 0730AQ [0,1,0,1,0,0|2,0,0]=4 79 B13R2.43 CNC1CC2=CC=C(F)C=C2C1 3257AA [0,1,0,1,0,0|0,0,0]=2 80 B13R2.3028 CC1CC2=C(C=C(N)C=C2)C1=O Y4763 [0,1,0,1,0,0|2,0,0]=4 81 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 9017AB [0,1,0,1,0,0|2,0,0]=4 82 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 3533AJ [0,1,0,1,0,0|2,0,0]=4 83 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 5988AH [0,1,0,1,0,0|2,0,0]=4 84 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9196AH [0,1,0,1,0,0|2,0,0]=4 85 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9197AH [0,1,0,1,0,0|2,0,0]=4 86 B13R2.155 NC1=CC2=C(C=C1)CCC(N)C2 9581AH [0,1,0,1,0,0|2,0,0]=4 87 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 1540AJ [0,1,0,1,0,0|2,0,0]=4 88 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 3649AJ [0,1,0,1,0,0|2,0,0]=4 89 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 6075AC [0,1,0,1,0,0|2,0,0]=4 90 B13R2.155 N[C@@H]1CCC2=C(C=C(O)C=C2)C1 W8836 [0,1,0,1,0,0|2,0,0]=4 91 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 W8835 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 9199AH [0,1,0,1,0,0|2,0,0]=4 93 B13R2.5190 CC1=NC2=C(C=CC(Cl)=C2)N1C 2471AB [0,1,0,1,0,0|1,0,1]=4 94 B13R2.162 CN1CCC2=C(C1)C(Br)=CC=C2 3762AJ [0,1,0,1,0,0|2,0,0]=4 95 B9R1.6 CC(C)C1=NC=CN=C1 R572 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [1,0,0,0,1,0|1,0,0]=3 97 B9R1.6 CN(C)C1=CC=NC=C1 5677AH [1,0,0,0,1,0|2,0,0]=4 98 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [1,0,0,0,1,0|1,0,0]=3 99 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [1,0,0,0,1,0|1,0,0]=3 100 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [1,0,0,0,1,0|2,0,0]=4 101 B9R1.13 CC(N)CC1=CC=CN1 9883AH [1,0,0,0,1,0|1,0,0]=3 102 B9R1.13 CC(N)CC1=CC=CS1 3185AB [1,0,0,0,1,0|1,0,0]=3 103 B9R1.13 CC(N)CC1=CNC=N1 1005AJ [1,0,0,0,1,0|2,0,0]=4 104 B9R1.13 C[C@@H](N)CC1=CNC=N1 4491AJ [1,0,0,0,1,0|2,0,0]=4 105 B9R1.13 C[C@H](N)CC1=CNC=N1 8564AH [1,0,0,0,1,0|2,0,0]=4