0 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 BB55-5190 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB54-1640 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BB01-7607 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 BB58-0807 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BB55-5195 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 BB55-4256 [0,0,0,0,0,0|2,1,0]=3 7 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [0,0,0,0,0,0|4,0,0]=4 8 B12R1.21 CC(=O)NCC1=CC=C(Cl)N=C1 BB53-1661 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.21 CC1=CC=C(CNC(N)=O)C=C1 BB01-7609 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.21 NC(=O)CSC1=CC=C(N)C=C1 BB58-2936 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.21 NC(=O)NCC1=CC=C(F)C=C1 BB01-7619 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BB55-5587 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [1,0,0,0,0,0|2,0,0]=3 18 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.71 C(=O)NCC1=CC=C(CC)C=C1 BB20-4803 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.71 CCCCC1=CC=C(NN)C=C1 BB56-0060 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.71 COC1=CC=C(CCCN)C=C1 BB54-1986 [1,0,0,0,0,0|1,0,1]=3 23 B12R1.71 COC1=CC=C(NCCN)C=C1 BB55-6788 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.71 COC1=CC=C(OCCN)C=C1 BB54-1233 [1,0,0,0,0,0|2,0,1]=4 25 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0118 [0,1,0,0,0,0|2,0,0]=3 26 B14R1.2 COC1=CC=C(C(=O)C[N+](=O)[O-])C=C1 BB54-5522 [0,1,0,0,0,0|2,0,1]=4 27 B14R1.2 COC1=CC=C(C(N)CC(C)C)C=C1 BB58-0617 [0,1,0,0,0,0|1,0,1]=3 28 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0228 [0,1,0,0,0,0|1,1,0]=3 29 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB31-7166 [0,1,0,0,0,0|2,0,0]=3 30 B14R1.3 COC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5199 [0,1,0,0,0,0|2,0,0]=3 31 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BB55-3801 [0,1,0,0,0,0|2,0,0]=3 32 B14R1.5 COC1=CC=C(CNC(=O)CBr)C=C1 BB17-0261 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.5 COC1=CC=C(COC(=O)CCl)C=C1 BB17-2021 [0,1,0,0,0,0|1,0,0]=2 34 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 BB12-2518 [0,1,0,0,0,0|2,0,0]=3 35 B14R1.103 COC1=CC=C(NCC(C)C)C(C)=C1 BB01-7303 [0,1,0,0,0,0|2,0,1]=4 36 B14R1.211 COC1=CC=C(CNS(C)(=O)=O)C=C1 BB17-1509 [0,1,0,0,0,0|2,0,0]=3 37 B14R1.419 CC(=O)C1=CC=C(OCC(N)=O)C=C1 BB54-0962 [0,1,0,0,0,0|3,0,0]=4 38 B14R1.419 CC(C)C1=CC=C(OCC(=O)Cl)C=C1 BB55-5590 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.419 CC(O)CCC1=CC=C(N(C)C)C=C1 BB54-1010 [0,1,0,0,0,0|1,0,2]=4 40 B14R1.419 CS(=O)C1=CC=C(OCC(=O)O)C=C1 BB55-4257 [0,1,0,0,0,0|2,1,0]=4 41 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 BB12-5013 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.3653 COC1=C(N)C=C(\C=C\C(=O)O)C=C1 BB17-2792 [0,1,0,0,0,0|1,0,2]=4 43 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 BB57-5725 [0,0,0,1,0,0|2,0,0]=3 44 B14R2.328 COC1=CC=C(OCC2CO2)C=C1 BB17-0650 [0,0,0,1,0,0|1,0,2]=4 45 B12R1.4 CCC1=CC=C(CC(=O)O)C=C1 BB55-6334 [0,0,0,0,1,0|2,0,0]=3 46 B12R1.4 COC1=CC=C(NC(=N)N)C=C1 BB57-2956 [0,0,0,0,1,0|3,0,0]=4 47 B12R1.59 COC1=NOC(CCC(=O)Cl)=C1 BB01-5598 [0,0,0,0,1,0|3,0,0]=4 48 B12R1.59 COC1=NOC(CCC(=O)O)=C1 BB05-4322 [0,0,0,0,1,0|3,0,0]=4 49 B11R1.1 C(=O)NCC1=CC=C(C)C=C1 BB20-3386 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.1 C=CCOC1=CC=C(O)C=C1 BB20-1078 [2,0,0,0,0,0|1,0,1]=4 51 B11R1.1 CC1=CC=C(CCCN)C=C1 BB58-0569 [2,0,0,0,0,0|1,0,1]=4 52 B11R1.1 CC1=CC=C(CCCO)C=C1 BB32-2521 [2,0,0,0,0,0|0,0,2]=4 53 B11R1.91 N=C(N)CCC1=CC=CC=C1 BB57-1742 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.91 NC(=O)NCC1=CC=CC=C1 BB01-6935 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.91 O=C(O)CNC1=CC=CC=C1 BB12-2585 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.91 O=C(O)CSC1=CC=CC=C1 BB54-0245 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.83 CCNC1=CC=C(CC)C=C1 BB01-8199 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.83 COC1=CC=C(CNN)C=C1 BB55-6542 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.83 [C-]#[N+]CC1=CC=C(OC)C=C1 BB56-2858 [2,0,0,0,0,0|1,0,1]=4 60 B13R1.14 CC1=CC=C(NCC(=O)NN)C=C1 BB17-2395 [1,1,0,0,0,0|2,0,0]=4 61 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BB32-3697 [1,1,0,0,0,0|1,0,0]=3 62 B13R1.14 COC(=O)CCC1=CC=C(Cl)C=C1 BB54-2897 [1,1,0,0,0,0|1,0,0]=3 63 B13R1.14 O=C(CBr)NCC1=CC=C(Br)C=C1 BB17-0264 [1,1,0,0,0,0|2,0,0]=4 64 B13R1.132 CC(=O)CC(=O)C1=CC=C(C)C=C1 BB12-2877 [1,1,0,0,0,0|0,0,1]=3 65 B13R1.132 CC(=O)CC(=O)C1=CC=C(Cl)C=C1 BB32-3001 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.132 CC(=O)CC(=O)C1=CC=C(F)C=C1 BB01-8027 [1,1,0,0,0,0|1,0,1]=4 67 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5608 [1,1,0,0,0,0|2,0,0]=4 69 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.164 CC1=CC(C)=C(OCC(=O)Cl)C=C1 BB55-5717 [1,1,0,0,0,0|2,0,0]=4 71 B13R1.511 CC1=CC=C(CCC(=O)O)C=C1N BB54-5144 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.511 CC1=CC=C(OCC(=O)Cl)C=C1C BB55-5584 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 BB31-3467 [1,1,0,0,0,0|0,0,2]=4 74 B13R1.74 CCCCC1=CC=C(C(C)N)C=C1 BB57-6055 [1,1,0,0,0,0|1,0,1]=4 75 B13R1.371 C#CCNCC1=CC=C(OC)C=C1 BB54-5007 [1,1,0,0,0,0|0,0,2]=4 76 B13R1.35 COC1=CC=C(CC(=O)O)C=C1C BB56-0509 [0,1,0,0,1,0|1,0,0]=3 77 B13R1.35 COC1=CC=C(NC(C)=O)C=C1N BB55-4804 [0,1,0,0,1,0|1,0,0]=3 78 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,1,0,0,1,0|2,0,0]=4 79 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,1,0,0,1,0|1,0,0]=3 80 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,1,0,0,1,0|1,1,0]=4 81 B13R1.142 CCOC1=CC=C(CC(=O)Cl)C=C1 BB01-8261 [0,1,0,0,1,0|1,0,0]=3 82 B13R1.142 CCOC1=CC=C(CC(=O)O)C=C1 BB56-0010 [0,1,0,0,1,0|1,0,0]=3 83 B13R1.142 CNCC1=CC=C(NC(C)=O)C=C1 BB32-3596 [0,1,0,0,1,0|2,0,0]=4 84 B13R1.585 CC(=O)NC1=CC=C(C(C)=O)C=C1 BB12-1266 [0,1,0,0,1,0|2,0,0]=4 85 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 BB56-1063 [0,1,0,0,1,0|1,0,0]=3 86 B13R1.653 COC1=CC(Cl)=C(CC(=O)O)C=C1 BB57-0258 [0,1,0,0,1,0|1,0,0]=3 87 B15R1.5 COC1=CC=C(C(N)CCN(C)C)C=C1 BB55-6520 [0,1,0,0,0,1|2,0,0]=4 88 B15R1.204 COC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 BB31-3645 [0,1,0,0,0,1|1,0,0]=3 89 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 BB10-1091 [0,1,0,0,0,1|0,0,1]=3 90 B15R1.211 CCC1=CC=C(C(N)CC(=O)OC)C=C1 BB54-2123 [0,2,0,0,0,0|1,0,0]=3 91 B15R1.211 COC(=O)CC(=O)C1=CC=C(OC)C=C1 BB54-0899 [0,2,0,0,0,0|0,0,1]=3 92 B15R1.1854 COC1=CC=C(C(N)CC(=O)O)C(Cl)=C1 BB56-0409 [0,2,0,0,0,0|1,0,0]=3 93 B15R1.3776 CCC1=C(Br)C=C(C(N)CC(=O)O)C=C1 BB56-0128 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.3 COC(=O)C(N)CC1=CC=C(OC)C=C1 BB20-3463 [0,2,0,0,0,0|0,0,0]=2 95 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 BB32-1596 [0,2,0,0,0,0|1,0,0]=3 96 B15R1.208 CCC(OC1=CC=C(OC)C=C1)C(=O)Cl BB55-5652 [0,2,0,0,0,0|2,0,0]=4 97 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)Cl)C=C1 BB55-5684 [0,2,0,0,0,0|2,0,0]=4 98 B15R1.495 CC(=O)C1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB32-0209 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 BB31-7682 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.495 CN(C)C1=CC=C(CC(N)C(=O)O)C=C1 BB31-7061 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.18 CCOC1=CC=C(NCC(=O)NN)C=C1 BB12-2575 [0,2,0,0,0,0|2,0,0]=4 102 B15R1.956 CC(C)C1=CC=C(CNC(=O)CBr)C=C1 BB17-0263 [0,2,0,0,0,0|2,0,0]=4 103 B15R1.956 CN(C)C1=CC=C(CNC(=O)CBr)C=C1 BB17-0262 [0,2,0,0,0,0|2,0,0]=4 104 B15R1.1856 COC1=CC(Br)=C(OCC(=O)NN)C=C1 BB17-2217 [0,2,0,0,0,0|2,0,0]=4 105 B15R1.1856 COC1=CC(I)=C(OCC(=O)NN)C=C1 BB17-2215 [0,2,0,0,0,0|2,0,0]=4 106 B15R1.3779 COC(=O)COC1=CC=C(OC)C(N)=C1 BB54-4765 [0,2,0,0,0,0|1,0,0]=3 107 B15R1.6314 C#CC(C)(O)CCC1=CC=C(OC)C=C1 BB54-5396 [0,2,0,0,0,0|0,0,2]=4 108 B15R1.499 O=C(O)CCC1=CC=C(OC(F)F)C=C1 BB05-4864 [0,2,0,0,0,0|1,0,0]=3 109 B13R2.147 O=C1CC(C2=CC=C(Br)C=C2)N1 BB31-9884 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.147 O=C1CC(C2=CC=C(F)C=C2)N1 BB54-4963 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.155 NC1=CC2=C(C=C1)CCC(=O)N2 BB54-0787 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.57 COC1=CC2=C(C=C1)CNCC2 BB54-4395 [1,0,0,1,0,0|1,0,1]=4 113 B13R2.57 COC1=CC2=C(C=C1)NCCC2 BB54-0718 [1,0,0,1,0,0|1,0,1]=4 114 B13R2.2121 CCC1=CC=C2NC(=O)CC2=C1 BB17-0213 [0,0,0,1,1,0|2,0,0]=4 115 B13R2.2121 COC1=CC=C2NC(C)=NC2=C1 BB57-3663 [0,0,0,1,1,0|2,0,0]=4 116 B15R2.2 COC1=CC=C(C2=NNC(=O)C2)C=C1 BB52-6794 [0,0,0,1,0,1|1,0,1]=4 117 B15R2.3137 COC1=CC2=C(C=C1)CCC2C(=O)O BB32-3458 [0,0,0,1,0,1|1,0,0]=3 118 B15R2.7688 CC(=O)CCC1=CC=C2OCOC2=C1 BB54-0020 [0,1,0,1,0,0|0,0,0]=2 119 B11R1.20 CC(=O)NC1=CC=C(C)C=C1 BB12-3713 [1,0,0,0,1,0|1,0,0]=3 120 B11R1.20 CC(=O)NC1=CC=C(F)C=C1 BB12-3000 [1,0,0,0,1,0|2,0,0]=4 121 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 BB31-9516 [1,0,0,0,1,0|2,0,0]=4 122 B11R1.20 CC1=CC=C(CC(N)=S)C=C1 BB20-4553 [1,0,0,0,1,0|1,1,0]=4 123 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 BB12-4748 [1,0,0,0,1,0|2,0,0]=4 124 B11R1.3 COC1=CC=C(C(=N)N)C=C1 BB58-0024 [0,0,0,0,2,0|2,0,0]=4 125 B11R1.3 COC1=CC=C(C(C)N)C=C1 BB05-0764 [0,0,0,0,2,0|1,0,1]=4 126 B11R1.3 COC1=NC=C(C(=O)O)C=C1 BB54-0843 [0,0,0,0,2,0|2,0,0]=4 127 B13R1.643 COC1=CC(CNC(N)=O)=CC=C1 BB01-7617 [0,0,0,0,1,1|2,0,0]=4 128 B13R1.643 COC1=CC(OCC(=O)Cl)=CC=C1 BB55-5749 [0,0,0,0,1,1|2,0,0]=4