0 B13R1.352 CC(C)(C)CC(N)C1=CC=CN=C1 CBR00501 [0,0,0,0,0,0|3,0,0]=3 1 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 R468126 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S319104 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.352 CS(=O)(=O)CC(O)C1=CC=CC=C1 S825093 [0,0,0,0,0,0|4,0,0]=4 4 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [1,0,0,0,0,0|1,0,2]=4 5 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [1,0,0,0,0,0|1,0,2]=4 6 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [1,0,0,0,0,0|2,0,1]=4 7 B12R1.107 CC(CN(C)C)C1=CN=CC=N1 PH012696 [1,0,0,0,0,0|2,0,1]=4 8 B12R1.107 CC(CN(C)N)C1=CC=CC=C1 PH001335 [1,0,0,0,0,0|1,0,1]=3 9 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [1,0,0,0,0,0|1,0,1]=3 10 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [1,0,0,0,0,0|1,0,1]=3 11 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.891 CC(C)(C)OCC1=CC=CC=C1 S653853 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.891 C[N+](C)(C)CC=C1C=CCC=C1 S869724 [1,0,0,0,0,0|0,0,2]=3 15 B12R1.891 C[N+](C)(C)CCC1=CCC=CC1 S869732 [1,0,0,0,0,0|0,0,2]=3 16 B12R1.891 C[N+](C)(C)CCC1=CCC=CC1 S869759 [1,0,0,0,0,0|0,0,2]=3 17 B12R1.891 C[N+](C)(C)CCC1C=CCC=C1 S869740 [1,0,0,0,0,0|0,0,2]=3 18 B12R1.891 C[Si](Cl)(Cl)CCC1=CC=CC=C1 S585440 [1,0,0,0,0,0|3,0,0]=4 19 B14R1.3335 C[Si](C)(C)CS(=O)(=O)C1=CC=CC=C1 R426350 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.10526 CC(C)(C)C(O)C(O)C1=CC=CC=C1 S770922 [0,1,0,0,0,0|2,0,0]=3 21 B14R2.403 CC1(OCC(O1)C2=CC=CC=C2)C S793531 [0,0,0,1,0,0|3,0,0]=4 22 B14R2.403 O=S1(=O)CCC(C1)C2=CC=CC=C2 T322024 [0,0,0,1,0,0|3,0,0]=4 23 B14R2.29496 CC1(CC(C2=CC=CC=C2O1)N)C CBR01673 [0,0,0,1,0,0|3,0,0]=4 24 B12R1.564 CC(C)(N)C(O)C1=CC=CC=C1 PH004997 [0,0,0,0,1,0|3,0,0]=4 25 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S312444 [0,0,0,0,1,0|0,0,0]=1 26 B12R1.564 CC(C1=CC=CC=C1)[N+](C)(C)C S988030 [0,0,0,0,1,0|0,0,0]=1 27 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [2,0,0,0,0,0|1,0,0]=3 28 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [2,0,0,0,0,0|2,0,0]=4 29 B11R1.16 CNCC(C)C1=CC=CC=C1 CDS011312 [2,0,0,0,0,0|0,0,1]=3 30 B11R1.16 CNCC(O)C1=CC=CC=C1 R158259 [2,0,0,0,0,0|1,0,1]=4 31 B11R1.16 CNCC(O)C1=CC=CC=C1 S321761 [2,0,0,0,0,0|1,0,1]=4 32 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 CDS006581 [2,0,0,0,0,0|2,0,0]=4 33 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [2,0,0,0,0,0|2,0,0]=4 34 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [2,0,0,0,0,0|2,0,0]=4 37 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.91 CN(C)CCC1=CC=NC=C1 PH000201 [2,0,0,0,0,0|1,0,1]=4 39 B11R1.91 CN(C)CCC1=NC=CC=C1 PH000750 [2,0,0,0,0,0|1,0,1]=4 40 B11R1.91 CN(C)CCC1=NC=CC=C1 S456276 [2,0,0,0,0,0|1,0,1]=4 41 B11R1.91 CN(N)CCC1=CC=CC=C1 PH013245 [2,0,0,0,0,0|1,0,1]=4 42 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [1,1,0,0,0,0|1,0,1]=4 43 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [1,1,0,0,0,0|0,0,1]=3 44 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 S657409 [1,1,0,0,0,0|2,0,0]=4 45 B13R1.254 CCC(C)(O)CCC1=CC=CC=C1 S349356 [1,1,0,0,0,0|2,0,0]=4 46 B13R1.353 CC(C)(C)C(O)CC1=CC=CC=C1 S722154 [1,1,0,0,0,0|1,0,0]=3 47 B13R1.512 CC(C)(O)CCC1=CC=C(C=C1)O S350885 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.512 CC1=CC=C(C=C1)NCC(C)(C)C PH010499 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.155 CC(C)(C)C(C)(O)C1=CC=CC=C1 S37827 [0,1,0,0,1,0|1,0,0]=3 50 B13R1.155 C[Si](C)(C)[Si](C)(C)C1=CC=CC=C1 S824631 [0,1,0,0,1,0|1,1,0]=4 51 B13R1.263 CC(C)(CO)C(N)C1=CC=CC=C1 KOB0162 [0,1,0,0,1,0|2,0,0]=4 52 B13R1.263 CC(C)(CO)[C@@H](N)C1=CC=CC=C1 KOB0154 [0,1,0,0,1,0|2,0,0]=4 53 B13R1.719 C=CC(C1=CC=CC=C1)[Si](C)(C)C T305162 [0,1,0,0,1,0|1,0,1]=4 54 B13R1.719 CC(C)(C)C(C#N)C1=CC=CC=C1 S662240 [0,1,0,0,1,0|1,0,1]=4 55 B13R1.719 CC(C)(C)C(CCl)C1=CC=CC=C1 S876283 [0,1,0,0,1,0|1,0,0]=3 56 B15R1.311 CC(C)(CO)NCC(O)C1=CC=CC=C1 PH018688 [0,1,0,0,0,1|2,0,0]=4 57 B15R1.5392 CC(CC(=O)C(C)(C)C)C1=CC=CC=C1 S485608 [0,1,0,0,0,1|1,0,0]=3 58 B15R1.23261 CC(C)(C)NCC(C)(O)C1=CC=CC=C1 PH014976 [0,1,0,0,0,1|1,0,0]=3 59 B15R1.13398 CCC(C)(O[Si](C)(C)C)C1=CC=CC=C1 S12344 [0,2,0,0,0,0|2,0,0]=4 60 B13R2.222 C[N+]1(C=CC2=C(C1)C=CC=C2)C S487481 [1,0,0,1,0,0|0,0,2]=4 61 B13R2.222 C[N+]1(CCC2=C(C1)C=CC=C2)C S882763 [1,0,0,1,0,0|0,0,0]=2 62 B15R2.4429 CC(C)(N)CC1CC2=CC=CC=C2C1 KOB0159 [0,0,0,1,0,1|2,0,0]=4 63 B15R2.467 CC1(COC(CN1)C2=CC=CC=C2)C PH013596 [0,0,0,1,0,1|2,0,0]=4 64 B15R2.11 N1C=C(C2=C1C=CC=C2)C[N+](C)(C)C S895148 [0,1,0,1,0,0|0,0,2]=4 65 B15R2.13615 CC1CC(NC2=C1C=CC=C2O)(C)C CDS020890 [0,1,0,1,0,0|2,0,0]=4 66 B15R2.50278 CC1=CC=C2NC(CC(C2=C1)C)(C)C TMT00148 [0,1,0,1,0,0|2,0,0]=4 67 B15R2.50278 CC1CC(NC2=C1C=C(C=C2)O)(C)C CBR01322 [0,1,0,1,0,0|2,0,0]=4 68 B15R3.9581 C[C@@]1(C[C@@H]2C[C@H]1C3=CC=CC=C23)O T289698 [0,0,0,2,0,0|2,0,0]=4 69 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,1,0|2,0,0]=4 70 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,1,0|2,0,0]=4 71 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,1,0|2,0,0]=4 72 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,1,0|1,0,0]=3 73 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [1,0,0,0,1,0|2,0,0]=4 74 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,1,0|0,0,1]=3 75 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,1,0|2,0,0]=4 76 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,1,0|2,0,0]=4 77 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,1,0|2,0,0]=4 78 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,1,0|2,0,0]=4 79 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,1,0|2,0,0]=4 80 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,1,0|2,0,0]=4 81 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,1,0|2,0,0]=4 82 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 R284572 [1,0,0,0,1,0|0,0,0]=2 83 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342041 [1,0,0,0,1,0|0,0,0]=2 84 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 S342068 [1,0,0,0,1,0|0,0,0]=2 85 B11R1.509 C[N+](C)(N)CC1=CC=CC=C1 S761869 [1,0,0,0,1,0|1,0,0]=3 86 B11R1.509 C[N+](C)([O-])CC1=CC=CC=C1 S428078 [1,0,0,0,1,0|1,0,0]=3 87 B11R1.509 [SiH2](C1=CC=CC=C1)C(C)(C)C S831409 [1,0,0,0,1,0|1,1,0]=4 88 B13R1.45 CC(=O)OCC(C)C1=CC=CC=C1 S528323 [1,0,0,0,0,1|2,0,0]=4 89 B13R1.45 CC(C)NCC(Cl)C1=CC=CC=C1 PH007698 [1,0,0,0,0,1|2,0,0]=4 90 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 PH006879 [1,0,0,0,0,1|2,0,0]=4 91 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 PH009924 [1,0,0,0,0,1|1,0,1]=4 92 B13R1.348 CC(CN(C)C)OC1=CC=CC=C1 PH012058 [1,0,0,0,0,1|0,0,1]=3 93 B13R1.348 CN(C)CC(Cl)CC1=CC=CC=C1 PH012586 [1,0,0,0,0,1|1,0,1]=4 94 B13R1.3523 C[Si](C)(C)C/C=C/C1=CC=CC=C1 T202789 [1,0,0,0,0,1|1,0,1]=4 95 B15R1.3465 C[N+](C)(C)CC(=O)OCC1=CC=CC=C1 R240702 [0,0,0,0,0,2|1,0,1]=4 96 B15R1.9094 C[Si](C)(C)C#CCC(O)C1=CC=CC=C1 T211931 [0,0,0,0,0,2|2,0,0]=4