0 B12R1.128 CC1=CC=C(C=C1C(F)(F)F)O CDS021069 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.128 CC1=CN=C(C(=C1)[Si](C)(C)C)Cl ADE000764 [0,0,0,0,0,0|3,1,0]=4 2 B12R1.128 O=S(=O)([O-])C1=CC(=CC=C1O)O S430366 [0,0,0,0,0,0|4,0,0]=4 3 B12R1.128 OC1=CC=C(C=C1C(F)(F)F)Br KOB0023 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.87 CC(C)(N)C1=CC=CC=C1F OTV000632 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.87 CC(C)(O)C1=CC=CC=C1Br CDS020091 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.87 CC1=CC=CC=C1[Si](C)(C)C S837741 [1,0,0,0,0,0|1,1,0]=3 7 B11R1.87 CS(=O)(=O)C1=CC=CC=C1O CDS005712 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.87 C[Si](C)(C)C1=CC=CN=C1Cl SYX00316 [1,0,0,0,0,0|2,1,0]=4 9 B11R1.155 CC(C)(C)C1=CC(=CC=C1)N CDS013665 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.155 CC(C)(O)C1=CC(=CC=C1)Br BML00258 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.155 CC(C)(O)C1=CN=CC(=C1)Br PH007865 [1,0,0,0,0,0|3,0,0]=4 12 B11R1.155 CC(C)(O)C1=C[N+](=CC=C1)[O-] S668338 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.155 C[Si](C)(C)C1=NC=CC(=C1)Cl SYX00357 [1,0,0,0,0,0|2,1,0]=4 14 B11R1.167 CC(C)C1=CC(=CC=C1O)O S841269 [1,0,0,0,0,0|0,0,0]=1 15 B11R1.167 CC(O)C1=C(C=CC(=C1)F)O CDS021193 [1,0,0,0,0,0|2,0,0]=3 16 B11R1.167 CC(O)C1=CC(=CC=C1Cl)Cl S546992 [1,0,0,0,0,0|3,0,0]=4 17 B11R1.167 CC1=CC(=C(C=C1)C)C(C)N CBR01396 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.167 CC1=CC=C(C(=C1)N(C)C)Br S820725 [1,0,0,0,0,0|3,0,0]=4 19 B11R1.167 CC1=CC=C(C=C1N(C)C)Cl S504246 [1,0,0,0,0,0|3,0,0]=4 20 B13R1.877 CC(C)(C)C1=CC(=O)C(=CC1=O)Cl R164070 [0,1,0,0,0,0|0,0,2]=3 21 B13R1.886 C[Si](C)(C)C1=C(C=CC(=C1Cl)Cl)Cl S825549 [0,1,0,0,0,0|2,1,0]=4 22 B13R1.2815 CC(C)(C)C1=CC(=CC(=C1O)Cl)Cl T164682 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.3090 COC1=C(C=C(C=C1)Br)C(C)(C)C L498459 [0,1,0,0,0,0|1,0,0]=2 24 B11R0.34 CC(C)(C)NC(=O)/C=C\C(=O)O R698504 [0,0,1,0,0,0|2,0,1]=4 25 B13R2.3791 CC1=CC=C2CCC(C2=N1)(C)C T187674 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [2,0,0,0,0,0|1,0,0]=3 27 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [2,0,0,0,0,0|2,0,0]=4 28 B10R1.28 CP(=S)(C)C1=CC=CC=C1 S543330 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 R750611 [2,0,0,0,0,0|1,0,0]=3 30 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S370363 [2,0,0,0,0,0|1,0,0]=3 31 B10R1.28 C[N+](C)(C)C1=CC=CC=C1 S96440 [2,0,0,0,0,0|1,0,0]=3 32 B10R1.28 C[Sn](C)(C)C1=CC=NC=C1 PH000422 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.61 CC(C)C1=C(C=CC=C1)Br T330086 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.61 CC(N)C1=C(C=CC=C1)F CDS004461 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.61 CC(N)C1=CC=CC=C1Cl CDS007479 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.61 CC(O)C1=CC=CC=C1Br S412627 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.61 CN(C)C1=C(C=CC=C1)Cl CDS003001 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.61 CS(=O)C1=CC=CC=C1O CDS005411 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.61 C[C@@H](N)C1=CC=CC=C1O CDS019933 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.113 CC(C)C1=CC(=CC=C1)N CDS000639 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.113 CC(C)C1=CC=CC(=C1)Br CDS003768 [2,0,0,0,0,0|1,0,0]=3 43 B10R1.113 CC(C)C1=CC=CC(=N1)N CDS009744 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.113 CC(N)C1=CC=CC(=C1)O CDS012752 [2,0,0,0,0,0|1,0,0]=3 45 B10R1.113 CC1=CC(=CC=C1)C(C)N CDS020205 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.113 CC1=CC(=CC=C1)[C@H](C)N CDS015842 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.113 CN(C)C1=CC=CC(=C1)Cl S428612 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.113 CN(C)C1=CC=CC(=C1)N OTV000176 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 CCC1=C(C=CC(=C1)Br)O OTV000158 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.30 CCC1=CC(=CC=C1N)Cl CBR02409 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.30 CCC1=CC(=CC=C1O)C JRD0413 [2,0,0,0,0,0|1,0,0]=3 52 B10R1.30 CCC1=CC(=CC=C1O)Cl JRD0412 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.30 CCC1=CC(=CC=C1O)F CBR00179 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.30 COC1=CC(=CC=C1O)N CBR01618 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.30 NCC1=CC(=CC=C1O)F CDS015898 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.30 OCC1=CC(=CC=C1O)Cl S548480 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.76 CC(C)(C)C1=CC=CC=C1NN PH018938 [1,1,0,0,0,0|1,0,0]=3 58 B12R1.126 CC(C)(N)C1=CC=C(C=C1Cl)Cl OTV000624 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.195 CC(C)(CN)C1=CC=CC=C1F OTV000631 [1,1,0,0,0,0|1,0,0]=3 60 B12R1.1010 C[Si](C)(C)C1=C(C=CC=C1Cl)Cl S825557 [1,1,0,0,0,0|1,1,0]=4 61 B12R1.1010 C[Si](C)(C)C1=C(C=CC=C1F)F S815608 [1,1,0,0,0,0|1,1,0]=4 62 B12R1.10 CC(C)(CN)C1=CC=CC(=C1)Cl OTV000601 [1,1,0,0,0,0|1,0,0]=3 63 B12R1.23 CC1=CC=C(C=C1Br)C(C)(C)C S866571 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.23 CC1=CC=C(C=C1O)C(C)(C)C PH002954 [1,1,0,0,0,0|0,0,0]=2 65 B12R1.102 CC1=CC(=CC(=[O+]1)C)C(C)(C)C R250392 [1,1,0,0,0,0|2,0,0]=4 66 B12R1.102 CC1=CC(=CC(=[O+]1)C)C(C)(C)C R250481 [1,1,0,0,0,0|2,0,0]=4 67 B12R1.436 COC1=CC(=CC=C1)C(C)(C)O PH010478 [1,1,0,0,0,0|1,0,0]=3 68 B12R1.436 COC1=CC=CC(=C1)C(C)(C)N CDS008388 [1,1,0,0,0,0|1,0,0]=3 69 B12R1.46 COC1=C(C=C(C=C1)Cl)C(C)O PH015455 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.46 COC1=C(C=C(C=C1)O)C(=O)C IDF00003 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.232 CC(=O)C1=CC(=C(C=C1O)C)O R151963 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N R397687 [1,1,0,0,0,0|1,0,0]=3 73 B12R1.232 CC1=C(C=C(C(=C1)O)C(C)C)N S565636 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.232 CC1=CC(=C(C=C1Br)C(C)C)O OTV000984 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.354 CCC(=O)C1=C(C=CC(=C1)O)O S372315 [1,1,0,0,0,0|1,0,1]=4 76 B12R1.453 CC(C)C1=CC(=CC=C1F)CN PH019020 [1,1,0,0,0,0|2,0,0]=4 77 B14R1.1866 COC1=CC=C(C=C1CC(C)(C)Cl)Br R224731 [0,1,0,0,0,1|2,0,0]=4 78 B14R1.6037 CC1=CC(=C(C=C1CC(C)(C)C)C)C S663301 [0,1,0,0,0,1|2,0,0]=4 79 B14R1.9837 CC1=CC(=O)C(=C(O1)NC(C)(C)C)O T308099 [0,1,0,0,0,1|2,0,0]=4 80 B14R1.12 CC(C)(C)C1=CC(=CC=C1O)C(=O)O CDS014273 [0,2,0,0,0,0|0,0,0]=2 81 B14R1.574 CC1=CC(=CC(=C1O)C(C)(C)C)N=O S85090 [0,2,0,0,0,0|0,0,1]=3 82 B14R1.3720 COC1=CC=C(C=C1C(C)(C)C)C#N L498327 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.3720 COC1=CC=C(C=C1C(C)(C)C)C=O L497738 [0,2,0,0,0,0|0,0,1]=3 84 B14R1.3292 COC1=CC=C(C=C1C(C)(C)CCl)Br R224790 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.3142 CC(C)(C)C1=CC(=O)C(=C(C1=O)Br)Cl R162981 [0,2,0,0,0,0|0,0,2]=4 86 B14R1.3142 CC1=C(C(=C(C(=C1)C(C)(C)C)C)C)C S846481 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.3144 CC1=CC(=O)C(=C(C1=O)Cl)C(C)(C)C R166456 [0,2,0,0,0,0|0,0,2]=4 88 B14R1.361 CC1=CC(=C(C(=C1)C=O)O)C(C)(C)C PH002940 [0,2,0,0,0,0|1,0,0]=3 89 B12R2.88 CC1=CC=CC=C1C2(CC2)N CBR00919 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.88 NC1(CC1)C2=CC=CC=C2Cl CBR00918 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.1282 CC1=CC=CC(=C1)C2(CC2)N CDS009085 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.1282 NC1(CC1)C2=CC=CC(=C2)Cl CBR00915 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.1316 OC1=CC=C(C=C1C2CC2)F PH017223 [1,0,0,1,0,0|1,0,0]=3 94 B12R1.119 CC(C)(C)OC1=CC(=CC=N1)Br CDS004777 [1,0,0,0,0,1|2,0,0]=4 95 B12R1.127 CC(C)OC1=CC(=CC=C1Br)F CDS023353 [1,0,0,0,0,1|2,0,0]=4 96 B12R1.127 CC1=CC=C(C(=C1)CN(C)C)O PH019553 [1,0,0,0,0,1|2,0,0]=4 97 B12R1.127 CN(C)CC1=C(C=CC(=C1)Cl)O PH002200 [1,0,0,0,0,1|2,0,0]=4 98 B12R1.127 CN(C)CC1=CC(=CC=C1Br)O CDS022289 [1,0,0,0,0,1|2,0,0]=4