0 B13R1.622 CC(C)(C)OC1=CC=CC=C1C=O MCULE-8834470844 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.622 CS(=O)(=O)NC1=CC=CC=C1C=O MCULE-1785052026 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.622 C[Si](C)(C)OC1=C(C=CC=C1)C=O MCULE-7718573715 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.622 O=CC1=C(C=CC=C1)OC(F)(F)F MCULE-2663036020 [0,0,0,0,0,0|4,0,0]=4 4 B13R1.622 O=CC1=C(C=CC=C1)OS(=O)(=O)O MCULE-6033824515 [0,0,0,0,0,0|1,0,1]=2 5 B12R1.75 C=CC1=C(C=CC=C1)OC(=O)C MCULE-2315461667 [1,0,0,0,0,0|3,0,0]=4 6 B12R1.75 CC(=O)NC1=C(C=CC=C1)C=O MCULE-1063993291 [1,0,0,0,0,0|3,0,0]=4 7 B12R1.75 CC(=O)OC1=C(C=CC=C1)C=O MCULE-3586473282 [1,0,0,0,0,0|2,0,0]=3 8 B12R1.75 CC(C)OC1=C(C=CC=C1)C=O MCULE-5158119520 [1,0,0,0,0,0|3,0,0]=4 9 B12R1.75 O=CC1=C(C=CC=C1)OC(F)F MCULE-9090796604 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.75 O=CC1=CC=CC=C1CC(=O)O MCULE-8210254084 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.151 CC1=C(C=CC=C1)CP(=O)(O)O MCULE-8357856409 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.151 CP(=O)(N)OC1=C(C=CC=C1)F MCULE-2877631232 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.151 O=P(Cl)(Cl)OC1=CC=CC=C1Cl MCULE-6468130088 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.151 O=P(O)(O)CC1=C(C=CC=C1)O MCULE-4912344434 [1,0,0,0,0,0|1,0,1]=3 15 B12R1.151 O=P(O)(O)OC1=CC=CC=C1O MCULE-7678842706 [1,0,0,0,0,0|0,0,1]=2 16 B14R1.6312 O=C(O)C1=C(C=CC=C1)OP(=O)(O)O MCULE-1086101121 [0,1,0,0,0,0|0,0,0]=1 17 B14R1.6312 O=C(O)C1=CC=CC=C1OS(=O)(=O)O MCULE-3023695647 [0,1,0,0,0,0|1,0,1]=3 18 B14R1.6312 O=C([O-])C1=CC=CC=C1OS(=O)(=O)O MCULE-2194014763 [0,1,0,0,0,0|1,0,1]=3 19 B14R1.6312 O=C([O-])C1=CC=CC=C1OS(=O)(=O)[O-] MCULE-5568649343 [0,1,0,0,0,0|1,0,2]=4 20 B14R2.286 O=P(O)(O)C1C=CC2=C1C=CC=C2 MCULE-5764949979 [0,0,0,1,0,0|2,0,0]=3 21 B14R2.11646 CC1(OC2=C(O1)C(=CC=C2)C=O)C MCULE-5068392922 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.11646 O=CC1=CC=CC2=C1OC(O2)(F)F MCULE-6423753491 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.29496 O=C1CS(=O)(=O)OC2=C1C=CC=C2 MCULE-5394111953 [0,0,0,1,0,0|2,0,1]=4 24 B14R2.29496 O=C1OP(=O)(OC2=CC=CC=C12)Cl MCULE-9148809129 [0,0,0,1,0,0|1,0,0]=2 25 B12R1.76 CCC1=CC=CC=C1P(=O)(O)O MCULE-3358293883 [0,0,0,0,1,0|1,0,1]=3 26 B12R1.76 CNC1=C(C=CC=C1)P(=O)(O)O MCULE-5023803673 [0,0,0,0,1,0|2,0,0]=3 27 B12R1.76 CS(=O)(=O)C1=CC=CC=C1C=O MCULE-4679099904 [0,0,0,0,1,0|2,0,1]=4 28 B12R1.76 NS(=O)(=O)C1=CC=CC=C1C=O MCULE-7145445048 [0,0,0,0,1,0|2,0,1]=4 29 B12R1.76 O=CC1=C(C=CC=C1)S(=O)(=O)Cl MCULE-4158833375 [0,0,0,0,1,0|2,0,1]=4 30 B12R1.76 O=CC1=CC=CC=C1S(=O)(=O)O MCULE-1597117155 [0,0,0,0,1,0|1,0,1]=3 31 B12R1.76 O=CC1=CC=CC=C1S(=O)(=O)[O-] MCULE-3801585847 [0,0,0,0,1,0|1,0,2]=4 32 B11R1.41 CCOC1=CC=CC=C1C=O MCULE-2364462479 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.41 O=CNC1=C(C=CC=C1)C=O MCULE-9434293537 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.509 NP(=O)(N)OC1=CC=CC=C1 MCULE-6887835334 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.509 O=P(Cl)(Cl)OC1=CC=CC=C1 MCULE-9871883399 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.509 O=P(O)(O)CC1=CC=CC=C1 MCULE-2255375115 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.509 O=P(O)(O)CC1=CC=NC=C1 MCULE-7655057819 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.509 O=P(O)(O)CC1=CN=CC=C1 MCULE-5982693009 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.509 O=P(O)(O)CC1=NC=CC=C1 MCULE-7431929535 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.509 O=P(O)(O)OC1=CC=CC=C1 MCULE-2929032873 [2,0,0,0,0,0|0,0,0]=2 41 B11R1.509 O=P([O-])([O-])OC1=CC=CC=C1 MCULE-9994866500 [2,0,0,0,0,0|0,0,2]=4 42 B11R1.509 O=S(=O)(O)OC1=CC=CC=C1 MCULE-5992336239 [2,0,0,0,0,0|1,0,1]=4 43 B13R1.91 COC(=O)CC1=C(C=CC=C1)C=O MCULE-1164233237 [1,1,0,0,0,0|2,0,0]=4 44 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)C MCULE-4610880324 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)Cl MCULE-4612770101 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.589 CC(=O)OC1=C(C=CC=C1)C(=O)O MCULE-3199019536 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)N MCULE-7791245774 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.589 CC(=O)OC1=CC=CC=C1C(=O)[O-] MCULE-1298755950 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.589 NC(=O)C1=C(C=CC=C1)CC(=O)O MCULE-9735756944 [1,1,0,0,0,0|2,0,0]=4 50 B13R1.589 O=C(O)CC1=C(C=CC=C1)C(=O)O MCULE-3233814444 [1,1,0,0,0,0|2,0,0]=4 51 B13R1.589 O=C(O)OC1=C(N=CC=C1)C(=O)O MCULE-1338511880 [1,1,0,0,0,0|2,0,0]=4 52 B13R1.151 CP(=O)(O)OC1=C(C(=CC=C1)Cl)Cl MCULE-6005620183 [1,1,0,0,0,0|2,0,0]=4 53 B13R1.883 O=P(O)(O)CC1=C(C=C(C=C1)Cl)Cl MCULE-9674806130 [1,1,0,0,0,0|2,0,0]=4 54 B13R1.894 CC1=CC=C(C(=C1)CP(=O)(O)O)C MCULE-4740905335 [1,1,0,0,0,0|1,0,1]=4 55 B13R1.3788 O=P(O)(O)CC1=C(C=CC=C1Cl)Cl MCULE-7597874085 [1,1,0,0,0,0|2,0,0]=4 56 B13R1.349 CP(=O)(C)C1=C(C=CC=C1)C(=O)O MCULE-8561135633 [0,1,0,0,1,0|2,0,0]=4 57 B13R1.349 O=C(O)C1=C(C=CC=C1)S(=O)(=O)O MCULE-3721052746 [0,1,0,0,1,0|1,0,1]=4 58 B13R1.349 O=C([O-])C1=CC=CC=C1S(=O)(=O)O MCULE-3282855595 [0,1,0,0,1,0|1,0,1]=4 59 B13R1.349 O=N(=O)C1=CC=CC=C1[As](=O)(O)O MCULE-3457447244 [0,1,0,0,1,0|1,1,0]=4 60 B13R1.381 CCOC1=CC=CC=C1P(=O)(O)O MCULE-5905874313 [0,1,0,0,1,0|1,0,1]=4 61 B13R1.3523 O=P(O)(O)C/C=C/C1=CC=CC=C1 MCULE-1307685171 [0,0,1,1,0,0|2,0,0]=4 62 B13R1.3523 O=P(O)(O)CC=CC1=CC=CC=C1 MCULE-4388263397 [0,0,1,1,0,0|2,0,0]=4 63 B13R2.222 O=P1(COC2=CC=CC=C2O1)O MCULE-6038481692 [1,0,0,1,0,0|2,0,0]=4 64 B13R2.328 O=C1CC(=O)C2=CC=CC=C2O1 MCULE-7503708238 [1,0,0,1,0,0|2,0,0]=4 65 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 MCULE-1375045876 [1,0,0,1,0,0|2,0,0]=4 66 B13R2.328 O=C1NC(=O)C2=CC=CC=C2O1 MCULE-4932826327 [1,0,0,1,0,0|2,0,0]=4 67 B13R2.328 O=C1NC2=CC=CC=C2C(=O)O1 MCULE-9285695361 [1,0,0,1,0,0|2,0,0]=4 68 B13R2.328 O=C1OP(OC2=C1C=CC=C2)Cl MCULE-9455191655 [1,0,0,1,0,0|1,0,1]=4 69 B13R2.581 O=CC1=C2OC(=O)NC2=CC=C1 MCULE-5697382940 [1,0,0,1,0,0|2,0,0]=4 70 B13R2.12159 O=C1OI(=O)(C2=CC=CC=C12)O MCULE-1032859726 [0,0,0,1,1,0|1,0,0]=3 71 B13R2.12159 O=C1OS(=O)(=O)C2=C1C=CC=C2 MCULE-3338526108 [0,0,0,1,1,0|1,0,1]=4 72 B15R2.11 O=P(O)(O)OC1=CNC2=C1C=CC=C2 MCULE-4329951499 [0,0,0,1,0,1|2,0,0]=4 73 B15R2.630 O=P(O)(O)C1=C(C2=C([Se]1)C=CC=C2)Br MCULE-8675981402 [0,0,0,1,0,1|1,1,0]=4 74 B15R2.53146 O=C1OC(C2=C1C=CC=C2)P(=O)(O)O MCULE-6801272636 [0,1,0,1,0,0|1,0,0]=3 75 B11R1.53 C=CC1=CC=CC=C1B(O)O MCULE-9385754327 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.53 C=CC1=CC=CC=C1C(=O)O MCULE-7536191019 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.53 CC(=O)C1=CC=CC=C1C=O MCULE-5332635055 [1,0,0,0,1,0|2,0,0]=4 78 B11R1.53 NC(=O)C1=C(C=CC=C1)C=O MCULE-1125511731 [1,0,0,0,1,0|2,0,0]=4 79 B11R1.53 O=CC1=C(C=CC=C1)B(O)O MCULE-7288006724 [1,0,0,0,1,0|1,0,0]=3 80 B11R1.53 O=CC1=C(C=CC=C1)C(=O)Cl MCULE-3471711409 [1,0,0,0,1,0|2,0,0]=4 81 B11R1.53 O=CC1=C(C=CC=N1)C(=O)O MCULE-5630434791 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.53 O=CC1=C(C=CN=C1)B(O)O MCULE-1154555476 [1,0,0,0,1,0|2,0,0]=4 83 B11R1.53 O=CC1=C(N=CC=C1)C(=O)O MCULE-6919546171 [1,0,0,0,1,0|2,0,0]=4 84 B11R1.53 O=CC1=CC=CC=C1C(=O)O MCULE-7642820980 [1,0,0,0,1,0|1,0,0]=3 85 B11R1.53 O=CC1=CC=CC=C1N(=O)=O MCULE-1037843730 [1,0,0,0,1,0|0,1,1]=4 86 B11R1.53 O=CC1=CC=CN=C1B(O)O MCULE-8937604621 [1,0,0,0,1,0|2,0,0]=4 87 B11R1.53 O=CC1=CC=NC=C1C(=O)O MCULE-7629200205 [1,0,0,0,1,0|2,0,0]=4 88 B11R1.53 O=CC1=NC=CC=C1B(O)O MCULE-5677686427 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.53 O=NC1=CC=CC=C1C(=O)O MCULE-4180896401 [1,0,0,0,1,0|2,0,0]=4 90 B11R1.53 O=[IH2]C1=C(C=CC=C1)C(=O)O MCULE-9514632532 [1,0,0,0,1,0|2,0,0]=4 91 B11R1.87 NC1=C(C=CC=C1)[As](=O)(O)O MCULE-1652038503 [1,0,0,0,1,0|1,1,0]=4 92 B11R1.87 O=P(O)(O)C1=C(C=CC=C1)O MCULE-7420876376 [1,0,0,0,1,0|0,0,1]=3 93 B13R1.90 C=CC1=CC=CC=C1OCC(=O)O MCULE-2322182634 [1,0,0,0,0,1|2,0,0]=4 94 B13R1.90 NC(=O)COC1=C(C=CC=C1)C=O MCULE-6096725708 [1,0,0,0,0,1|2,0,0]=4 95 B13R1.90 O=CC1=C(C=CC=C1)C=CC(=O)O MCULE-7574152827 [1,0,0,0,0,1|2,0,0]=4 96 B13R1.90 O=CC1=CC=CC=C1/C=C/C(=O)O MCULE-8544601791 [1,0,0,0,0,1|2,0,0]=4 97 B13R1.90 O=CC1=CC=CC=C1OCC(=O)O MCULE-7880702668 [1,0,0,0,0,1|1,0,0]=3