0 B11R1.91 CC(=S)OCC1=CC=CC=C1 S494 [0,0,0,0,0,0|1,1,1]=3 1 B11R1.91 CC(=S)OCC1=CC=NC=C1 Z2907 [0,0,0,0,0,0|2,1,1]=4 2 B11R1.91 CC(C)=NNC1=CC=CC=C1 8097AF [0,0,0,0,0,0|3,0,1]=4 3 B11R1.91 CC(C)\C=C\C1=NC=CC=C1 Y6439 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.91 C[C@@H](N)CCC1=CC=CC=C1 5944AC [0,0,0,0,0,0|1,0,0]=1 5 B11R1.91 N=C(N)COC1=CC=CC=C1 5598AJ [0,0,0,0,0,0|3,0,1]=4 6 B11R1.91 NC(=S)CSC1=CC=CC=C1 Y9579 [0,0,0,0,0,0|2,1,1]=4 7 B11R1.91 O=C(O)C=CC1=CC=CC=C1 9667AL [0,0,0,0,0,0|1,0,3]=4 8 B11R1.91 O=C(O)CNC1=CC=NC=C1 7631AE [0,0,0,0,0,0|3,0,1]=4 9 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z3284 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.91 O=C([O-])COC1=CC=CC=C1 I578 [0,0,0,0,0,0|2,0,2]=4 11 B11R1.91 O=[N+]([O-])CCC1=CC=CN=C1 Y5918 [0,0,0,0,0,0|3,0,1]=4 12 B11R1.91 OB(O)O[Hg]C1=CC=CC=C1 7667AF [0,0,0,0,0,0|4,0,0]=4 13 B10R1.17 CCCCC1=NC=CN=C1 2999AB [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CCOCC1=NC=CN=C1 3692AB [1,0,0,0,0,0|3,0,0]=4 15 B10R1.17 CC\C=C\C1=NC=CC=C1 Y6363 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.17 CO\C=C\C1=CC=CC=C1 6472AB [1,0,0,0,0,0|1,0,2]=4 17 B10R1.17 Cl[Mg]CCC1=CC=CC=C1 8993AJ [1,0,0,0,0,0|2,0,0]=3 18 B10R1.17 NNCCC1=CC=CC=C1 5405AE [1,0,0,0,0,0|2,0,0]=3 19 B12R1.21 CC(C)COC1=CC=C(F)C=C1 Z1210 [0,1,0,0,0,0|2,0,0]=3 20 B12R1.21 CN(C)CCC1=CC=C(N)C=C1 2448AJ [0,1,0,0,0,0|2,0,0]=3 21 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 5087AF [0,1,0,0,0,0|2,0,0]=3 22 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 Y6522 [0,1,0,0,0,0|2,0,1]=4 23 B12R1.27 CC(\C=C\C1=CC=CC=C1)=N/O 5660AF [0,1,0,0,0,0|0,0,3]=4 24 B12R1.27 C[C@@H](CO)OCC1=CC=CC=C1 X6055 [0,1,0,0,0,0|1,0,0]=2 25 B12R1.27 NCC(=O)OCC1=CC=CC=C1 3139AL [0,1,0,0,0,0|1,0,2]=4 26 B12R1.43 O=C(O)[C@@H](Cl)CC1=CC=CC=C1 Z6054 [0,1,0,0,0,0|1,0,1]=3 27 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 7150AJ [0,1,0,0,0,0|1,0,2]=4 28 B12R1.125 CC(=O)OCC1=C(C)C=CC=C1 5689AF [0,1,0,0,0,0|1,0,2]=4 29 B12R1.125 CC1=CC=CC=C1NCC(=O)O 7454AD [0,1,0,0,0,0|2,0,1]=4 30 B12R1.226 O=[N+]([O-])CCC1=CC(F)=CC=C1 Y5848 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.891 C[Si](C)(C)CSC1=CC=CC=C1 4120AL [0,1,0,0,0,0|2,1,0]=4 32 B12R2.24 CC1CC2=CC=CC=C2CN1 3049AB [0,0,0,1,0,0|2,0,0]=3 33 B12R2.24 CC1CCC2=C(C=CC=C2)N1 U603 [0,0,0,1,0,0|1,0,0]=2 34 B12R2.24 NC1CCC2=C(C1)N=CC=C2 6045AA [0,0,0,1,0,0|2,0,0]=3 35 B12R2.24 N[C@@H]1COC2=CC=CC=C2C1 8695AH [0,0,0,1,0,0|2,0,0]=3 36 B12R2.24 O=C1CCC2=CC=CN=C2C1 3036AJ [0,0,0,1,0,0|1,0,2]=4 37 B10R1.18 CC(N)CC1=CCCC=C1 7207AB [0,0,0,0,1,0|1,0,2]=4 38 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 9362AB [0,0,0,0,1,0|2,0,1]=4 39 B10R1.18 OB(O)CC1=CC=CC=C1 X0808 [0,0,0,0,1,0|2,0,0]=3 40 B10R1.18 OC(=S)CC1=CC=NC=C1 L775 [0,0,0,0,1,0|2,0,1]=4 41 B12R1.252 O=C(O)CCNC1=NC=CC=C1 1093AA [0,0,0,0,0,1|2,0,1]=4 42 B9R1.8 CCCC1=CN=CC=C1 6392AB [2,0,0,0,0,0|1,0,0]=3 43 B9R1.8 O\N=C\C1=CC=CC=C1 R588 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.1 CCCOC1=CC=C(N)C=C1 2814AL [1,1,0,0,0,0|1,0,0]=3 45 B11R1.1 OC\C=C\C1=CC=C(Cl)C=C1 1866AB [1,1,0,0,0,0|0,0,2]=4 46 B11R1.1 OC\C=C\C1=CC=C(O)C=C1 9182AF [1,1,0,0,0,0|0,0,2]=4 47 B11R1.16 CNCC(=O)C1=CC=CC=C1 1268AJ [1,1,0,0,0,0|1,0,1]=4 48 B11R1.16 CNCC(=O)C1=CC=CC=C1 1806AJ [1,1,0,0,0,0|1,0,1]=4 49 B11R1.17 NCCOC1=CC=CC=C1Cl V4787 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.17 OCCNC1=NC=CC=C1I Y4622 [1,1,0,0,0,0|2,0,0]=4 51 B11R1.24 CCCC[N+]1=CC=CC(C)=C1 0693AP [1,1,0,0,0,0|1,0,0]=3 52 B11R1.24 CCOCC1=CN=CC(Br)=C1 Z0807 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.24 OCCOC1=CC(O)=CC=C1 7909AF [1,1,0,0,0,0|1,0,0]=3 54 B11R1.28 C#CCNCC1=CC=CC=C1 0757AD [1,1,0,0,0,0|0,0,2]=4 55 B11R1.28 CCC\C=C\C1=NC=CC=C1 Y5856 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.28 NOCCOC1=CC=CC=C1 5219AE [1,1,0,0,0,0|1,0,0]=3 57 B11R1.28 OCCCCC1=CN=CC=N1 2924AJ [1,1,0,0,0,0|2,0,0]=4 58 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 1424AL [0,1,0,0,1,0|1,0,0]=3 59 B11R1.20 CC(N)CC1=CC=C(Cl)C=C1 Y9701 [0,1,0,0,1,0|1,0,0]=3 60 B11R1.36 CC(C)[C@@H](O)C1=CC=CC=C1 N106 [0,1,0,0,1,0|1,0,0]=3 61 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7885 [0,1,0,0,1,0|1,0,0]=3 62 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 8062AF [0,1,0,0,1,0|1,0,1]=4 63 B11R1.86 CC(N)CC1=CC=CC=C1F 8826AA [0,1,0,0,1,0|1,0,0]=3 64 B11R1.157 CC(C)OC1=CC(F)=CC=C1 Z0352 [0,1,0,0,1,0|2,0,0]=4 65 B11R1.157 CC(N)CC1=CC(O)=CC=C1 1936AJ [0,1,0,0,1,0|1,0,0]=3 66 B11R1.157 C[C@@H](N)CC1=CC=CC(O)=C1 1908AJ [0,1,0,0,1,0|1,0,0]=3 67 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5089AF [0,1,0,0,1,0|2,0,0]=4 68 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 5735AF [0,1,0,0,1,0|2,0,0]=4 69 B13R1.45 CN(C)CCC(Cl)C1=CC=CC=C1 8636AH [0,1,0,0,0,1|2,0,0]=4 70 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 P942 [0,1,0,0,0,1|2,0,0]=4 71 B13R1.45 [NH3+]C(CCC(=O)O)C1=CC=CC=C1 8779AH [0,1,0,0,0,1|1,0,1]=4 72 B13R1.348 C[C@@H](CC(=O)O)NC1=CC=CC=C1 9248AJ [0,1,0,0,0,1|1,0,1]=4 73 B13R1.351 NC(CCC1=CC=CC=C1)C(C)C 9467AL [0,1,0,0,0,1|1,0,0]=3 74 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 9415AJ [0,1,0,0,0,1|1,0,1]=4 75 B13R1.351 [C@H](C)(OCC1=CC=CC=C1)C(=O)O 0640AP [0,1,0,0,0,1|1,0,1]=4 76 B13R1.718 N[C@@H](CO)COCC1=CC=CC=C1 8688AB [0,1,0,0,0,1|1,0,0]=3 77 B13R1.3523 CC(C)(O)CCSC1=CC=CC=C1 Z2584 [0,1,0,0,0,1|0,0,0]=2 78 B13R1.3523 FC(F)(F)CSCC1=CC=CC=C1 9637AE [0,1,0,0,0,1|2,0,0]=4 79 B13R1.14 CC[C@H](C)COC1=CC=C(N)C=C1 4426AH [0,2,0,0,0,0|2,0,0]=4 80 B13R1.14 OC(CCl)CCC1=CC=C(Cl)C=C1 8838AB [0,2,0,0,0,0|0,0,0]=2 81 B13R1.14 O[C@H](CCl)COC1=CC=C(F)C=C1 4372AB [0,2,0,0,0,0|1,0,0]=3 82 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 3229AB [0,2,0,0,0,0|1,0,1]=4 83 B13R1.133 O=C(O)C(O)CC1=CC=C(O)C=C1 7792AL [0,2,0,0,0,0|1,0,1]=4 84 B13R1.164 O=C(O)CCC1=CC=C(F)C=C1Cl W3814 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.15 CCC(C)NCC1=CC=CC(Cl)=C1 Z8807 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.135 NC(CC1=CC=CC=C1)C(=O)OC Y1503 [0,2,0,0,0,0|0,0,2]=4 87 B13R1.135 N[C@H](CC1=CC=CC=C1)C(=O)OC Y1718 [0,2,0,0,0,0|0,0,2]=4 88 B13R1.417 O=C[C@H](CO)OCC1=CC=CC=C1 5493AA [0,2,0,0,0,0|1,0,1]=4 89 B13R1.148 N[C@H](CC1=CC=CC(Cl)=C1)C(=O)O 6300AB [0,2,0,0,0,0|1,0,1]=4 90 B13R1.152 C[C@@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8578AH [0,2,0,0,0,0|1,0,1]=4 91 B13R1.152 C[C@H](C1=CC=CC=C1)[C@H](N)C(=O)O 8576AH [0,2,0,0,0,0|1,0,1]=4 92 B13R1.152 N[C@@H](C1=CC=CC=C1)[C@@H](O)C(=O)O V2385 [0,2,0,0,0,0|1,0,1]=4 93 B13R1.152 N[C@H](C1=CC=CC=C1)[C@H](O)C(=O)O Y1640 [0,2,0,0,0,0|1,0,1]=4 94 B13R1.202 N[C@@H](CC1=C(F)C=CC=C1)C(=O)O 7288AH [0,2,0,0,0,0|1,0,1]=4 95 B13R1.3420 CC(C)CNC1=CC(F)=CC(F)=C1 7583AC [0,2,0,0,0,0|2,0,0]=4 96 B13R1.3420 O=C(O)CCC1=CC(O)=CC(O)=C1 5156AH [0,2,0,0,0,0|1,0,1]=4 97 B11R2.1 CC1C=CC2=C1C=CC=C2 1961AC [1,0,0,1,0,0|0,0,2]=4 98 B11R2.1 NC1CCC2=C1C=NC=C2 3373AJ [1,0,0,1,0,0|2,0,0]=4 99 B11R2.1 N[C@@H]1CCC2=CC=CC=C21 0674AA [1,0,0,1,0,0|1,0,0]=3 100 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 V1332 [1,0,0,1,0,0|0,0,0]=2 101 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 4694AJ [1,0,0,1,0,0|1,0,0]=3 102 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 8372AH [1,0,0,1,0,0|1,0,0]=3 103 B11R2.20 C1=CC=C2SCCSC2=C1 6902AE [1,0,0,1,0,0|1,1,0]=4 104 B11R2.238 C1=CC=C(CC2CN2)C=C1 6723AA [1,0,0,1,0,0|1,0,0]=3 105 B13R2.31 O=C1CN(CC2=CC=CC=C2)C1 7834AA [0,0,0,1,0,1|0,0,2]=4 106 B13R2.72 O=C(O)[C@H]1NCC2=C1C=CC=C2 9220AH [0,0,0,1,0,1|1,0,1]=4 107 B13R2.155 NC1=CC2=C(C=C1)CCC(N)C2 9581AH [0,1,0,1,0,0|1,0,0]=3 108 B13R2.155 NC1CCC2=CC=C(Cl)C=C2C1 1540AJ [0,1,0,1,0,0|1,0,0]=3 109 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 3649AJ [0,1,0,1,0,0|1,0,0]=3 110 B13R2.155 NC1CCC2=CC=C(O)C=C2C1 6075AC [0,1,0,1,0,0|1,0,0]=3 111 B13R2.155 N[C@@H]1CCC2=C(C=C(O)C=C2)C1 W8836 [0,1,0,1,0,0|1,0,0]=3 112 B13R2.155 N[C@H]1CCC2=C(C=C(O)C=C2)C1 W8835 [0,1,0,1,0,0|1,0,0]=3 113 B13R2.155 N[C@H]1CCC2=CC=C(O)C=C2C1 9199AH [0,1,0,1,0,0|1,0,0]=3 114 B13R2.3791 CC1(C)CNC2=C1C=C(I)C=C2 3236AJ [0,1,0,1,0,0|2,0,0]=4 115 B13R2.32 NC1C2=CC=CC=C2CCC1O 5135AC [0,1,0,1,0,0|0,0,0]=2 116 B13R2.32 NC1CCC2=C(C=CC=C2)C1=O 1458AJ [0,1,0,1,0,0|1,0,1]=4 117 B13R2.57 NC[C@@H]1CC2=CC=CC=C2CN1 8688AH [0,1,0,1,0,0|2,0,0]=4 118 B13R2.57 NC[C@@H]1CC2=CC=CC=C2CN1 9068AH [0,1,0,1,0,0|2,0,0]=4 119 B13R2.57 NC[C@H]1CC2=CC=CC=C2CN1 2043AJ [0,1,0,1,0,0|2,0,0]=4 120 B13R2.57 NNC1CCC2=CC=CC=C2C1 9013AA [0,1,0,1,0,0|1,0,0]=3 121 B13R2.57 O=CC1COC2=CC=CC=C2O1 Z3527 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.369 CC1NC2=CC=CC=C2NC1C 0730AQ [0,1,0,1,0,0|2,0,0]=4 123 B13R2.12159 CC1(C)C[C@H](N)C2=C1C=CC=C2 Z2031 [0,1,0,1,0,0|1,0,0]=3 124 B13R2.151 NC1=CC=CC(N2CC(O)C2)=C1 9427AH [0,1,0,1,0,0|1,0,0]=3 125 B13R2.162 CN1CCC2=C(C1)C(Br)=CC=C2 3762AJ [0,1,0,1,0,0|2,0,0]=4 126 B13R2.162 O=C1CCC2=C(C1)C(Br)=CC=C2 9921AC [0,1,0,1,0,0|0,0,2]=4 127 B13R2.3683 NC1CCC2=C(C=CC(Cl)=C2)C1 9017AB [0,1,0,1,0,0|1,0,0]=3 128 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 3533AJ [0,1,0,1,0,0|1,0,0]=3 129 B13R2.3683 NC1CCC2=CC(F)=CC=C2C1 5988AH [0,1,0,1,0,0|1,0,0]=3 130 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9196AH [0,1,0,1,0,0|1,0,0]=3 131 B13R2.3683 N[C@H]1CCC2=CC(F)=CC=C2C1 9197AH [0,1,0,1,0,0|1,0,0]=3 132 B9R1.6 CC(I)C1=CC=CC=C1 7383AJ [0,0,0,0,2,0|1,0,0]=3 133 B9R1.6 CN(N)C1=CC=CC=C1 7753AF [0,0,0,0,2,0|2,0,0]=4 134 B9R1.6 CN(N)C1=CC=CC=C1 7754AF [0,0,0,0,2,0|2,0,0]=4 135 B9R1.6 C[PH](=O)C1=CC=CC=C1 0011AB [0,0,0,0,2,0|1,0,1]=4 136 B9R1.13 CC(N)CC1=CC=CN1 9883AH [0,0,0,0,2,0|2,0,0]=4 137 B9R1.13 CC(N)CC1=CC=CS1 3185AB [0,0,0,0,2,0|2,0,0]=4