0 B14R1.3 CCC1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB31-7166 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.3 COC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5199 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.3 COC1=CC=C(OC(C)C(=O)O)C=C1 BB55-3801 [0,0,0,0,0,0|0,0,0]=0 3 B13R1.3 CCC1=CC=C(OCC(=O)Cl)C=C1 BB55-5190 [1,0,0,0,0,0|2,0,0]=3 4 B13R1.3 CCC1=CC=C(OCC(N)=O)C=C1 BB17-0399 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.3 COC1=CC=C(CCC(C)=O)C=C1 BB54-1640 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 BB01-7607 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.3 COC1=CC=C(NCC(=O)O)C=C1 BB58-0807 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.3 COC1=CC=C(OCC(=O)Cl)C=C1 BB55-5195 [1,0,0,0,0,0|1,0,0]=2 9 B13R1.3 CSC1=CC=C(OCC(=O)O)C=C1 BB55-4256 [1,0,0,0,0,0|0,1,0]=2 10 B13R1.3 O=CC1=CC=C(OCC(=O)O)C=C1 BB56-1280 [1,0,0,0,0,0|2,0,0]=3 11 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 BB31-3467 [1,0,0,0,0,0|2,0,1]=4 12 B13R1.133 CC(OC1=CC=C(Br)C=C1)C(=O)Cl BB55-5612 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.133 CC(OC1=CC=C(F)C=C1)C(=O)Cl BB55-5202 [1,0,0,0,0,0|2,0,0]=3 14 B13R1.133 CC(OC1=CC=C(I)C=C1)C(=O)O BB05-4897 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O BB12-1748 [1,0,0,0,0,0|0,0,0]=1 16 B13R1.133 CC1=CC=C(OC(C)C(=O)Cl)C=C1 BB55-5608 [1,0,0,0,0,0|1,0,0]=2 17 B13R1.133 NC1=CC=C(CC(N)C(=O)O)C=C1 BB12-2267 [1,0,0,0,0,0|3,0,0]=4 18 B15R1.3 COC(=O)C(N)CC1=CC=C(OC)C=C1 BB20-3463 [0,1,0,0,0,0|2,0,0]=3 19 B15R1.16 CCOC1=CC=C(C[C@H](N)C(=O)O)C=C1 BB32-1596 [0,1,0,0,0,0|2,0,0]=3 20 B15R1.208 CCC(OC1=CC=C(OC)C=C1)C(=O)Cl BB55-5652 [0,1,0,0,0,0|1,0,0]=2 21 B15R1.208 CCC1=CC=C(OC(CC)C(=O)Cl)C=C1 BB55-5644 [0,1,0,0,0,0|2,0,0]=3 22 B15R1.216 COC1=CC=C(OC(C)(C)C(=O)Cl)C=C1 BB55-5684 [0,1,0,0,0,0|1,0,0]=2 23 B15R1.495 CC(=O)C1=CC=C(C[C@@H](N)C(=O)O)C=C1 BB32-0209 [0,1,0,0,0,0|3,0,0]=4 24 B15R1.495 CC(C)C1=CC=C(C[C@H](N)C(=O)O)C=C1 BB31-7682 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.495 CN(C)C1=CC=C(CC(N)C(=O)O)C=C1 BB31-7061 [0,1,0,0,0,0|3,0,0]=4 26 B15R2.4834 COC1=CC2=C(C=C1)C=C(C(=O)O)S2 BB58-1553 [0,0,0,1,0,0|2,0,1]=4 27 B15R2.4834 COC1=CC=C2C=C(C(=O)O)OC2=C1 BB54-3997 [0,0,0,1,0,0|2,0,1]=4 28 B15R2.4834 COC1=CC=C2OC(C(=O)O)=CC2=C1 BB54-2039 [0,0,0,1,0,0|0,0,2]=3 29 B13R1.36 CCC1=CC=C(C(N)C(=O)O)C=C1 BB56-0235 [0,0,0,0,1,0|2,0,0]=3 30 B13R1.36 COC1=CC=C(C(N)C(=O)O)C=C1 BB56-0264 [0,0,0,0,1,0|1,0,0]=2 31 B13R1.36 CSC1=CC=C(C(N)C(=O)O)C=C1 BB56-0269 [0,0,0,0,1,0|1,1,0]=3 32 B15R1.204 COC1=CC=C(C[C@@H](N)CC(=O)O)C=C1 BB31-3645 [0,0,0,0,0,1|2,0,0]=3 33 B12R1.21 CC1=CC=C(NCC(=O)O)C=C1 BB12-2588 [2,0,0,0,0,0|1,0,0]=3 34 B12R1.21 NC(=O)COC1=CC=C(N)C=C1 BB12-1839 [2,0,0,0,0,0|2,0,0]=4 35 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BB05-4599 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 BB12-1847 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.21 O=C(Cl)COC1=CC=C(Br)C=C1 BB55-5587 [2,0,0,0,0,0|2,0,0]=4 38 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 BB54-2898 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.21 O=C(O)CNC1=CC=C(Br)C=C1 BB58-0806 [2,0,0,0,0,0|2,0,0]=4 40 B12R1.21 O=C(O)CNC1=CC=C(F)C=C1 BB58-0803 [2,0,0,0,0,0|2,0,0]=4 41 B12R1.71 COC1=CC=C(OCCN)C=C1 BB54-1233 [2,0,0,0,0,0|1,0,1]=4 42 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0118 [1,1,0,0,0,0|2,0,0]=4 43 B14R1.2 CSC1=CC=C(C(N)CC(=O)O)C=C1 BB56-0228 [1,1,0,0,0,0|1,1,0]=4 44 B14R1.5 COC1=CC=C(NCC(=O)NN)C=C1 BB12-2518 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.419 CC(=O)C1=CC=C(OCC(N)=O)C=C1 BB54-0962 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.419 CC(C)C1=CC=C(OCC(=O)Cl)C=C1 BB55-5590 [1,1,0,0,0,0|2,0,0]=4 47 B14R1.419 CS(=O)C1=CC=C(OCC(=O)O)C=C1 BB55-4257 [1,1,0,0,0,0|0,1,0]=3 48 B14R1.419 O=C(O)COC1=CC=C(C(=O)O)C=C1 BB53-1869 [1,1,0,0,0,0|2,0,0]=4 49 B14R1.419 O=C(O)COC1=CC=C([N+](=O)[O-])C=C1 BB12-1836 [1,1,0,0,0,0|2,0,0]=4 50 B14R1.3653 COC1=C(N)C=C(\C=C\C(=O)O)C=C1 BB17-2792 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)Cl BB55-5641 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.536 CCC(OC1=CC=C(Br)C=C1)C(=O)O BB05-1227 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)Cl BB55-5636 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.536 CCC(OC1=CC=C(C)C=C1)C(=O)O BB05-1224 [1,1,0,0,0,0|0,0,0]=2 55 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)Cl BB55-5640 [1,1,0,0,0,0|2,0,0]=4 56 B14R1.536 CCC(OC1=CC=C(Cl)C=C1)C(=O)O BB05-1226 [1,1,0,0,0,0|1,0,0]=3 57 B14R1.536 CCC(OC1=CC=C(F)C=C1)C(=O)Cl BB55-5654 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.686 CC1=C(C)C=C(C[C@H](N)C(=O)O)C=C1 BB31-8341 [1,1,0,0,0,0|2,0,0]=4 59 B14R1.686 CC1=C(F)C=C(CC(N)C(=O)O)C=C1 BB32-0531 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.686 CC1=CC(OC(C)C(=O)Cl)=CC=C1Cl BB55-5626 [1,1,0,0,0,0|2,0,0]=4 61 B14R1.686 CC1=CC=C(OC(C)C(=O)Cl)C=C1C BB55-5609 [1,1,0,0,0,0|1,0,0]=3 62 B14R1.686 N[C@H](CC1=CC(F)=C(O)C=C1)C(=O)O BB32-3015 [1,1,0,0,0,0|2,0,0]=4 63 B14R1.6049 CC(OC1=C(Br)C=C(Br)C=C1)C(=O)Cl BB55-5573 [1,1,0,0,0,0|2,0,0]=4 64 B14R1.6049 CC(OC1=CC=C(Br)C=C1Cl)C(=O)Cl BB55-5602 [1,1,0,0,0,0|2,0,0]=4 65 B14R1.6049 CC(OC1=CC=C(Cl)C=C1Cl)C(=O)Cl BB55-5620 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.6049 CC(OC1=CC=C(F)C=C1Cl)C(=O)Cl BB55-5624 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.6049 CC(OC1=CC=C(F)C=C1F)C(=O)Cl BB55-5603 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.6049 CC1=CC(C)=C(C[C@H](N)C(=O)O)C=C1 BB31-4361 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.6049 CC1=CC(C)=C(OC(C)C(=O)Cl)C=C1 BB55-5718 [1,1,0,0,0,0|1,0,0]=3 70 B14R1.7626 CC(C)(CC1=CC=C(F)C=C1)C(=O)O BB31-7093 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)Cl BB55-5674 [1,1,0,0,0,0|2,0,0]=4 72 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(=O)O BB05-1230 [1,1,0,0,0,0|1,0,0]=3 73 B14R1.7626 CC(C)(OC1=CC=C(Br)C=C1)C(N)=O BB17-0340 [1,1,0,0,0,0|2,0,0]=4 74 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(=O)Cl BB55-5673 [1,1,0,0,0,0|2,0,0]=4 75 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(=O)O BB12-4672 [1,1,0,0,0,0|1,0,0]=3 76 B14R1.7626 CC(C)(OC1=CC=C(Cl)C=C1)C(N)=O BB17-0339 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.7626 CC(C)(OC1=CC=C(F)C=C1)C(=O)Cl BB55-5686 [1,1,0,0,0,0|2,0,0]=4 78 B14R1.7626 CC1=CC=C(OC(C)(C)C(=O)Cl)C=C1 BB55-5669 [1,1,0,0,0,0|1,0,0]=3 79 B14R1.141 CCOC1=CC=C(C(N)C(=O)O)C=C1 BB56-0301 [0,1,0,0,1,0|1,0,0]=3 80 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 BB57-7173 [0,1,0,0,1,0|0,0,0]=2 81 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1C BB56-0300 [0,1,0,0,1,0|1,0,0]=3 82 B14R1.3652 COC1=CC=C(C(N)C(=O)O)C=C1Cl BB56-0282 [0,1,0,0,1,0|1,0,0]=3 83 B14R1.6402 CC(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0263 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.6402 CN(C)C1=CC=C(C(N)C(=O)O)C=C1 BB56-0253 [0,1,0,0,1,0|2,0,0]=4 85 B16R1.219 CCC(NC1=CC=C(OC)C=C1)C(=O)NN BB12-2607 [0,2,0,0,0,0|2,0,0]=4 86 B16R1.219 COC(=O)\C(=C\C1=CC=C(OC)C=C1)CN BB58-4484 [0,2,0,0,0,0|1,0,1]=4 87 B16R1.758 CCC(OC1=CC=C(C(C)C)C=C1)C(=O)Cl BB55-5645 [0,2,0,0,0,0|2,0,0]=4 88 B16R1.12329 CC(C)(OC1=CC=C([N+](=O)[O-])C=C1)C(=O)O BB05-1232 [0,2,0,0,0,0|2,0,0]=4 89 B16R1.4113 CC(CC1=CC=C(C(C)(C)C)C=C1)C(=O)O BB05-3078 [0,2,0,0,0,0|2,0,0]=4 90 B16R1.4113 CC(OC1=CC=C(C(C)(C)C)C=C1)C(=O)Cl BB55-5617 [0,2,0,0,0,0|2,0,0]=4 91 B16R1.6701 CC(OC1=C(Cl)C=C([N+](=O)[O-])C=C1)C(=O)O BB05-1221 [0,2,0,0,0,0|2,0,0]=4 92 B16R1.20196 COC1=C(OC(C)C(=O)O)C=CC(C=O)=C1 BB54-1939 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.134 COC1=CC=C2OCC(=O)NC2=C1 BB57-5725 [1,0,0,1,0,0|1,0,0]=3 94 B14R2.328 COC1=CC=C(OCC2CO2)C=C1 BB17-0650 [1,0,0,1,0,0|1,0,1]=4 95 B14R2.4402 CC1=CC=C(C2CC2C(=O)O)C=C1 BB05-2373 [1,0,0,1,0,0|1,0,0]=3 96 B14R2.4402 O=C(O)C1CC1C2=CC=C(Cl)C=C2 BB05-0982 [1,0,0,1,0,0|2,0,0]=4 97 B14R2.8239 CC1OC2=CC=C(Cl)C=C2NC1=O BB20-2561 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.8239 CC1OC2=CC=C(N)C=C2NC1=O BB58-0105 [1,0,0,1,0,0|2,0,0]=4 99 B16R2.7527 COC1=CC2=C(C=C1)OC(C)=C2C(=O)O BB54-3130 [0,0,0,1,0,1|0,0,1]=3 100 B16R2.6257 CC(CC1=CC2=C(C=C1)OCO2)C(=O)O BB05-3258 [0,1,0,1,0,0|1,0,0]=3 101 B16R2.6257 CC(OC1=CC2=C(C=C1)CCC2)C(=O)Cl BB55-5623 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.7526 COC1=CC=C2NC(C(=O)O)=C(C)C2=C1 BB57-0318 [0,1,0,1,0,0|1,0,1]=4 103 B16R2.7526 COC1=CC=C2OC(C(=O)O)=C(C)C2=C1 BB53-1808 [0,1,0,1,0,0|0,0,1]=3 104 B12R1.20 CC1=CC=C([C@@H](N)C(=O)O)C=C1 BB32-3804 [1,0,0,0,1,0|1,0,0]=3 105 B12R1.20 CC1=CC=C([C@H](N)C(=O)O)C=C1 BB31-8873 [1,0,0,0,1,0|1,0,0]=3 106 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 BB56-0268 [1,0,0,0,1,0|2,0,0]=4 107 B12R1.20 NC(C(=O)O)C1=CC=C(I)C=C1 BB56-0239 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 BB31-6647 [1,0,0,0,1,0|2,0,0]=4