0 B14R1.3 COC1=CC=C(CC(=O)C(C)=O)C=C1 5816502 [0,0,0,0,0,0|1,0,0]=1 1 B14R1.3 COC1=CC=C(NC(=O)C(C)Br)C=C1 1891449 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.3 CCC1=CC=C(CCC(=O)O)C=C1 7020400398 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.3 CCC1=CC=C(OCC(=O)O)C=C1 0123400638 [1,0,0,0,0,0|2,0,1]=4 4 B13R1.3 COC1=CC=C(CCC(=O)O)C=C1 7020400415 [1,0,0,0,0,0|0,0,1]=2 5 B13R1.3 COC1=CC=C(CNC(N)=O)C=C1 2849650 [1,0,0,0,0,0|2,0,0]=3 6 B13R1.3 COC1=CC=C(OCC(=O)O)C=C1 0123400618 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.3 COC1=CC=C(SCC(C)=O)C=C1 2962394 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.3 COC1=CC=C(\C=C\C(=O)O)C=C1 0123400502 [1,0,0,0,0,0|0,0,1]=2 9 B13R1.3 COC1=CC=C(\C=C\[N+](=O)[O-])C=C1 4802600 [1,0,0,0,0,0|1,0,2]=4 10 B13R1.5 COC1=CC=C(NC(=O)CCl)C=C1 0133160097 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.5 COC1=CC=C(NC(=O)CS)C=C1 7414270007 [1,0,0,0,0,0|1,1,1]=4 12 B13R1.133 CC(=O)C(=O)CC1=CC=C(Br)C=C1 5842726 [1,0,0,0,0,0|2,0,0]=3 13 B13R1.133 CC(=O)C(=O)CC1=CC=C(C)C=C1 5813214 [1,0,0,0,0,0|1,0,0]=2 14 B13R1.133 CC(=O)C(=O)CC1=CC=C(Cl)C=C1 5817986 [1,0,0,0,0,0|2,0,0]=3 15 B13R1.133 CC(=O)C(=O)CC1=CC=C(F)C=C1 5813859 [1,0,0,0,0,0|2,0,0]=3 16 B13R1.133 CC(CC1=CC=C(Cl)C=C1)C(=O)O 1048447 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.133 CC(CC1=CC=C(F)C=C1)C(=O)O 1048440 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.133 CC(OC1=CC=C(O)C=C1)C(=O)O 5009040 [1,0,0,0,0,0|2,0,1]=4 19 B13R1.133 CC1=CC=C(CC(N)C(=O)O)C=C1 1781592 [1,0,0,0,0,0|1,0,1]=3 20 B13R1.133 C\C(=C/C1=CC=C(Cl)C=C1)C(=O)O 1048354 [1,0,0,0,0,0|2,0,1]=4 21 B13R1.133 C\C(=C/C1=CC=C(F)C=C1)C(=O)O 1048347 [1,0,0,0,0,0|2,0,1]=4 22 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 11186702 [1,0,0,0,0,0|2,0,1]=4 23 B13R1.133 NC(CC1=CC=C(F)C=C1)C(=O)O 1782225 [1,0,0,0,0,0|2,0,1]=4 24 B13R1.133 NC(CC1=CC=C(O)C=C1)C(=O)O 4039478 [1,0,0,0,0,0|1,0,1]=3 25 B13R1.133 O=C(O)C(O)CC1=CC=C(F)C=C1 1368335 [1,0,0,0,0,0|1,0,2]=4 26 B13R1.133 O=C(O)\C(O)=C\C1=CC=C(F)C=C1 5980476 [1,0,0,0,0,0|1,0,2]=4 27 B15R1.6 COC1=CC=C(C(O)C(N)C(=O)O)C=C1 1060245 [0,1,0,0,0,0|1,0,1]=3 28 B15R1.208 COC1=CC=C(\C=C(\C#N)C(N)=O)C=C1 9961905 [0,1,0,0,0,0|2,0,1]=4 29 B15R1.495 CC(=O)C1=CC=C(NC(=O)C(=O)O)C=C1 1129924 [0,1,0,0,0,0|2,0,0]=3 30 B15R2.4834 COC1=CC=C2C=C(C(=O)O)NC2=C1 1149688 [0,0,0,1,0,0|1,0,1]=3 31 B15R2.4834 COC1=CC=C2C=C(C(=O)O)SC2=C1 4706218 [0,0,0,1,0,0|0,1,1]=3 32 B15R2.4834 COC1=CC=C2NC(C(=O)O)=CC2=C1 1149687 [0,0,0,1,0,0|2,0,0]=3 33 B15R2.21336 COC1=CC=C2C=C(C)C(=O)NC2=C1 3463693 [0,0,0,1,0,0|2,0,1]=4 34 B15R2.21336 COC1=CC=C2NC(=O)C(C)=CC2=C1 3463694 [0,0,0,1,0,0|3,0,0]=4 35 B13R1.36 COC1=CC=C(C(=O)C(C)Br)C=C1 2014767 [0,0,0,0,1,0|2,0,1]=4 36 B15R1.204 CCC1=CC=C(NC(=O)CC(C)=O)C=C1 2204620 [0,0,0,0,0,1|3,0,0]=4 37 B15R1.204 COC1=CC=C(NC(=O)CC(C)=O)C=C1 2990576 [0,0,0,0,0,1|2,0,0]=3 38 B12R1.21 CC1=CC=C(CCC(=O)Cl)C=C1 1375493 [2,0,0,0,0,0|1,0,1]=4 39 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 7018760318 [2,0,0,0,0,0|0,0,1]=3 40 B12R1.21 CC1=CC=C(OCC(=O)O)C=C1 0123400643 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 7013891387 [2,0,0,0,0,0|0,0,1]=3 42 B12R1.21 CC1=CC=[N+](CCC(=O)O)C=C1 1264870 [2,0,0,0,0,0|1,0,1]=4 43 B12R1.21 NC(=O)\C=C\C1=CC=C(O)C=C1 2426235 [2,0,0,0,0,0|1,0,1]=4 44 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 1509953 [2,0,0,0,0,0|1,0,1]=4 45 B12R1.21 O=C(O)C#CC1=CC=C(O)C=C1 7849251 [2,0,0,0,0,0|0,0,2]=4 46 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 7018930011 [2,0,0,0,0,0|1,0,1]=4 47 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 7020400396 [2,0,0,0,0,0|1,0,1]=4 48 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 0110520182 [2,0,0,0,0,0|0,0,1]=3 49 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 7119850499 [2,0,0,0,0,0|1,0,1]=4 50 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 1512693 [2,0,0,0,0,0|1,0,1]=4 51 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 0125160273 [2,0,0,0,0,0|1,0,1]=4 52 B12R1.21 O=C(O)\C=C\C1=CC=C(F)C=C1 0103940052 [2,0,0,0,0,0|1,0,1]=4 53 B12R1.4 CNC1=CC=C(CC(=O)O)C=C1 1864385 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.4 COC1=CC=C(CC(=N)N)C=C1 6871423 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.4 COC1=CC=C(CC(=O)Cl)C=C1 1375536 [2,0,0,0,0,0|1,0,0]=3 56 B12R1.4 COC1=CC=C(CC(=O)O)C=C1 7119860207 [2,0,0,0,0,0|0,0,0]=2 57 B12R1.4 COC1=CC=C(CC(N)=O)C=C1 1375313 [2,0,0,0,0,0|1,0,0]=3 58 B12R1.4 COC1=CC=C(CC(N)=S)C=C1 1782040 [2,0,0,0,0,0|1,1,0]=4 59 B12R1.49 CC1=CC=C(NC(=O)CO)C=C1 1015597 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O 1048435 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O 1048342 [2,0,0,0,0,0|1,0,1]=4 62 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O 1780058 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.43 O=C(O)C(=O)NC1=CC=CC=N1 1129961 [2,0,0,0,0,0|2,0,0]=4 64 B14R1.2 CCC1=CC=C(C(C)CC(=O)O)C=C1 1042019 [1,1,0,0,0,0|1,0,1]=4 65 B14R1.2 CCC1=CC=C(C(N)CC(=O)O)C=C1 7020400802 [1,1,0,0,0,0|1,0,1]=4 66 B14R1.2 CCC1=CC=C(\C(C)=C\C(=O)O)C=C1 1041774 [1,1,0,0,0,0|1,0,1]=4 67 B14R1.2 COC1=CC=C(C(C)CC(=O)O)C=C1 1042028 [1,1,0,0,0,0|0,0,1]=3 68 B14R1.2 COC1=CC=C(\C(C)=C\C(=O)O)C=C1 1041783 [1,1,0,0,0,0|0,0,1]=3 69 B14R1.142 CCOC1=CC=C(OCC(=O)O)C=C1 7020681262 [1,1,0,0,0,0|1,0,1]=4 70 B14R1.142 CCOC1=CC=C(\C=C\C(=O)O)C=C1 7211740013 [1,1,0,0,0,0|0,0,1]=3 71 B14R1.419 CC(C)C1=CC=C(\C=C\C(=O)O)C=C1 0109160007 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.419 CN(C)C1=CC=C(CCC(=O)O)C=C1 1150070 [1,1,0,0,0,0|1,0,1]=4 73 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 22430311 [1,1,0,0,0,0|1,0,1]=4 74 B14R1.3653 COC1=C(Br)C=C(\C=C\C(=O)O)C=C1 0109160010 [1,1,0,0,0,0|0,0,1]=3 75 B14R1.686 CC(CC1=CC(O)=C(O)C=C1)C(=O)O 4694538 [1,1,0,0,0,0|1,0,1]=4 76 B14R1.686 O=C(O)C(=O)NC1=CC=C(F)C(F)=C1 1129982 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.213 COC1=CC=C(C(C)(C)C(=O)O)C=C1 1287012 [0,1,0,0,1,0|1,0,1]=4 78 B14R1.3652 COC1=C(Br)C=C(C(=O)C(=O)O)C=C1 1820994 [0,1,0,0,1,0|0,0,0]=2 79 B16R1.217 COC(=O)C(N)C(O)C1=CC=C(OC)C=C1 3696524 [0,2,0,0,0,0|1,0,1]=4 80 B16R1.1283 CC(=O)OC1=CC=C(CC(N)C(=O)O)C=C1 3201116 [0,2,0,0,0,0|1,0,1]=4 81 B16R1.8356 COC1=CC=C(CC(C)(CN)C(=O)O)C=C1 1048722 [0,2,0,0,0,0|1,0,1]=4 82 B16R1.4274 COC1=C(OC)C=C(CC(C)C(=O)O)C=C1 1048455 [0,2,0,0,0,0|1,0,1]=4 83 B16R1.4274 COC1=C(OC)C=C(\C=C(/C)C(=O)O)C=C1 1048362 [0,2,0,0,0,0|1,0,1]=4 84 B14R2.3274 COC1=CC=C2CC(Br)C(=O)C2=C1 1202726 [1,0,0,1,0,0|1,0,1]=4 85 B14R2.3274 COC1=CC=C2NC(=O)C(=O)C2=C1 7211810157 [1,0,0,1,0,0|1,0,0]=3 86 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 1178906 [1,0,0,1,0,0|0,0,2]=4 87 B14R2.8239 CC1=CC=C2NC(=O)C(=O)NC2=C1 2128591 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.1815 COC1=CC=C2C(=O)C(=O)NC2=C1 7020542475 [0,0,0,1,1,0|1,0,0]=3 89 B16R2.50 CCC1=CC=C(C2CC(=O)OC2=O)C=C1 1787373 [0,0,0,1,0,1|2,0,0]=4 90 B16R2.50 COC1=CC=C(C2CC(=O)OC2=O)C=C1 1788329 [0,0,0,1,0,1|1,0,0]=3 91 B16R2.7527 COC1=CC=C2OC(C)=C(C(=O)O)C2=C1 0105920027 [0,0,0,1,0,1|2,0,0]=4 92 B16R2.7604 COC(=O)C1=CC2=CC=C(OC)C=C2N1 1598066 [0,1,0,1,0,0|1,0,1]=4 93 B16R2.37661 COC1=CC=C2NC(=O)C(C=O)=CC2=C1 7020691366 [0,1,0,1,0,0|2,0,0]=4 94 B16R2.39460 COC1=CC2=C(C=C1)C(C)=C(C(=O)O)N2 4250112 [0,1,0,1,0,0|1,0,1]=4 95 B16R2.39460 COC1=CC2=C(C=C1)N(C)C(C(=O)O)=C2 15298237 [0,1,0,1,0,0|2,0,0]=4 96 B16R2.39460 COC1=CC=C2C(=C1)NC(C(=O)O)=C2I 11639167 [0,1,0,1,0,0|1,0,1]=4 97 B16R2.6257 C\C(=C/C1=CC2=C(C=C1)OCO2)C(=O)O 1048364 [0,1,0,1,0,0|1,0,1]=4 98 B16R2.7526 COC1=CC2=C(C=C1)NC(C(=O)O)=C2C 4250110 [0,1,0,1,0,0|2,0,0]=4 99 B16R2.7526 COC1=CC=C2C=C(C(=O)O)N(C)C2=C1 4011637 [0,1,0,1,0,0|1,0,1]=4 100 B16R2.7526 COC1=CC=C2SC(C(=O)O)=C(Cl)C2=C1 1112241 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.1933 COC1=CC2=C(C=C1Br)C=C(C(=O)O)O2 3710487 [0,1,0,1,0,0|0,0,2]=4 102 B12R1.5 CCC(=O)C1=CC=C(OC)C=C1 1043827 [1,0,0,0,1,0|1,0,1]=4 103 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 5032238 [1,0,0,0,1,0|2,0,0]=4 104 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 1106003 [1,0,0,0,1,0|1,0,1]=4 105 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 1313000 [1,0,0,0,1,0|1,0,1]=4 106 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 4435230 [1,0,0,0,1,0|1,0,1]=4 107 B12R1.5 COC1=CC=C(C(=O)NN)C=C1 7210740504 [1,0,0,0,1,0|2,0,0]=4 108 B12R1.20 CC(=O)C(=O)C1=CC=C(Br)C=C1 1981792 [1,0,0,0,1,0|2,0,0]=4 109 B12R1.20 CC(=O)C(=O)C1=CC=C(Cl)C=C1 1974702 [1,0,0,0,1,0|2,0,0]=4 110 B12R1.20 CC(=O)C(=O)C1=CC=C(F)C=C1 1973666 [1,0,0,0,1,0|2,0,0]=4 111 B12R1.20 CC1=CC=C(C(C)C(=O)O)C=C1 1201967 [1,0,0,0,1,0|1,0,1]=4 112 B14R1.4 COC1=CC=C(OCCC(=O)O)C=C1 7215640005 [1,0,0,0,0,1|0,0,1]=3 113 B14R1.4 COC1=CC=C(\C=C\CC(=O)O)C=C1 3518406 [1,0,0,0,0,1|0,0,1]=3 114 B14R1.679 O=C(O)C(=O)\C=C\C1=CC=C(Br)C=C1 2052368 [1,0,0,0,0,1|1,0,1]=4 115 B14R1.75 COC1=CC=CC(CC(=O)C(C)=O)=C1 5816501 [0,0,0,0,1,1|1,0,0]=3 116 B16R1.4 CCC1=CC=C(NC(=O)CCC(=O)O)C=C1 7110950140 [0,0,0,0,0,2|2,0,0]=4 117 B16R1.4 CCC1=CC=C(NC(=O)\C=C/C(=O)O)C=C1 7411540146 [0,0,0,0,0,2|2,0,0]=4 118 B16R1.4 COC1=CC=C(NC(=O)\C=C/C(=O)O)C=C1 7010590146 [0,0,0,0,0,2|1,0,0]=3