0 B6R0.3 C=C(CC)C(=O)O 81925 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.3 C=C[C@H](N)C(=O)O 33549 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.3 C=C[C@H](N)C(=O)O 33604 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 C=C[C@H](N)C(=O)O F31266 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,0,0,0,0,0|2,1,1]=4 6 B6R0.3 CC(O)C(N)CO D75101 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.3 CCC(=O)C(N)=S 94003 [0,0,0,0,0,0|1,2,1]=4 8 B6R0.3 CCC(C)C(C)N 78513 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.3 CCC(N)C(C)O N14662 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.3 CC[C@H](N)C(C)C 74049 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,0,0,0,0,0|1,0,0]=1 12 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.3 C[C@H](C#N)C(=O)O C77562 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.3 C[C@H](ON)C(=O)O AT14508 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,0,0,0,0,0|3,0,0]=3 22 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,0,0,0,0,0|3,0,0]=3 23 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|1,0,2]=4 29 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|0,0,2]=3 30 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|1,0,0]=2 31 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.1 CN(C)CCBr F20843 [1,0,0,0,0,0|3,0,0]=4 34 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,0]=2 35 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 37 B5R0.1 CSC[C@H](C)N AT10784 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.1 C[C@H](N)CCO 83613 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.1 C[C@H](N)CCO 83649 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|1,0,2]=4 41 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|1,0,2]=4 42 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|2,0,1]=4 46 B5R0.1 N#CCC(=O)Cl 79959 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.1 N=C(N)CCO AT21673 [1,0,0,0,0,0|3,0,0]=4 48 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.1 NCC[P@H](=O)O S12399 [1,0,0,0,0,0|3,0,0]=4 52 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|2,0,0]=3 53 B5R0.3 C#C[C@@H](C)CC W11641 [1,0,0,0,0,0|1,0,2]=4 54 B5R0.3 C=C(CC)CC D90428 [1,0,0,0,0,0|1,0,2]=4 55 B5R0.3 CCP(Cl)CC A12755 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.3 CC[C@H](C)CBr D86395 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 CC[C@H](C)CN 88661 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.3 CC[C@H](C)CO 88660 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.3 CC[C@H](C)NN AB8698 [1,0,0,0,0,0|3,0,0]=4 60 B5R0.3 CC[C@H](C)ON AT14504 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.3 CC[C@H](N)C#N AT12684 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.3 CC[C@H](N)C#N AT12685 [1,0,0,0,0,0|2,0,1]=4 63 B5R0.3 CC[C@H](N)C#N N14345 [1,0,0,0,0,0|2,0,1]=4 64 B5R0.3 CO[C@@H](C)CN 91000 [1,0,0,0,0,0|3,0,0]=4 65 B5R0.3 O=C[C@@H](O)CO C15860 [1,0,0,0,0,0|1,1,0]=3 66 B5R0.3 O=C[C@@H](O)CO S10019 [1,0,0,0,0,0|1,1,0]=3 67 B5R0.3 [2H]N(CC)CC D98468 [1,0,0,0,0,0|2,0,1]=4 68 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,0,0,0,0,0|2,0,1]=4 69 B5R0.5 CC(=O)[C@H](C)N 91522 [1,0,0,0,0,0|1,0,0]=2 70 B5R0.5 CC(C)C(=O)O A11457 [1,0,0,0,0,0|2,0,0]=3 71 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,0,0,0,0,0|3,0,0]=4 72 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,0,0,0,0,0|2,0,0]=3 73 B5R0.5 CC(C)[C@H](C)Br AT23713 [1,0,0,0,0,0|2,0,1]=4 74 B5R0.5 CC(C)[C@H](C)N A12293 [1,0,0,0,0,0|2,0,1]=4 75 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,0,0,0,0,0|3,0,0]=4 76 B5R0.5 CC(N)C(C)N AT12970 [1,0,0,0,0,0|2,0,1]=4 77 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,0,0,0,0,0|2,0,0]=3 78 B5R0.5 C[C@H](F)C(=O)O 36890 [1,0,0,0,0,0|2,0,0]=3 79 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,0,0,0,0,0|2,0,0]=3 80 B5R0.5 C[C@H](O)C(=N)N F21307 [1,0,0,0,0,0|2,1,0]=4 81 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,0,0,0,0,0|1,0,2]=4 82 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,0,0,0,0,0|2,0,0]=3 83 B5R0.5 [2H]C(=O)N(C)C D99052 [1,0,0,0,0,0|3,0,0]=4 84 B5R0.5 [2H]N(C)C(C)=O D99692 [1,0,0,0,0,0|2,0,0]=3 85 B7R0.5 CC(=O)N(C)CC#N D84377 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,1,0,0,0,0|1,0,0]=2 87 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,1,0,0,0,0|2,0,1]=4 88 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,1,0,0,0,0|2,0,1]=4 90 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,1,0,0,0,0|1,1,1]=4 91 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,1,0,0,0,0|1,1,0]=3 92 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.5 COC[C@H](N)C(C)C 71787 [0,1,0,0,0,0|2,0,1]=4 94 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,1,0,0,0,0|2,0,0]=3 96 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,0,0,0,0|1,0,1]=3 98 B7R0.10 CCC(C)C(N)CO D75056 [0,1,0,0,0,0|2,0,1]=4 99 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,1,0,0,0,0|2,0,1]=4 102 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,1,0,0,0,0|2,0,1]=4 103 B7R0.10 COC(=O)[C@@H](F)CN 94842 [0,1,0,0,0,0|2,0,0]=3 104 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,1,0,0,0,0|2,0,0]=3 105 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,1,0,0,0,0|1,1,0]=3 106 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,1,0,0,0,0|2,0,0]=3 107 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.13 CC(C)(CBr)C(=O)O AC8762 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.13 CC(C)(CCl)C(N)=O AT25939 [0,1,0,0,0,0|3,0,0]=4 110 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,1,0,0,0,0|2,0,0]=3 111 B7R0.13 COC(C)(C)C(C)=O S10204 [0,1,0,0,0,0|2,0,0]=3 112 B7R0.13 O=C(Cl)[C@@](F)(Cl)CCl AT22449 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.13 O=C(O)C(F)(F)CO AT12476 [0,1,0,0,0,0|3,0,0]=4 114 B7R0.13 [2H]C([2H])(CC)C(=O)Cl D99427 [0,1,0,0,0,0|2,0,0]=3 115 B7R0.13 [2H]C([2H])(CC)C(=O)O D98810 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [0,1,0,0,0,0|2,0,1]=4 117 B7R0.15 CCC(CC)C(N)=O AC2944 [0,1,0,0,0,0|2,0,0]=3 118 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,1,0,0,0,0|2,0,0]=3 119 B7R0.15 COC(OC)C(=O)O AT19758 [0,1,0,0,0,0|2,1,0]=4 120 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [0,1,0,0,0,0|2,1,0]=4 121 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,1,0,0,0,0|2,0,1]=4 122 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,1,0,0,0,0|0,1,1]=3 123 B7R0.16 CC(C)C(C)C(C)C T72628 [0,1,0,0,0,0|2,0,1]=4 124 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|2,0,0]=3 125 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|2,0,0]=3 127 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|2,0,0]=3 128 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|2,0,0]=3 129 B7R1.4 NC1CCCC1N 77840 [0,0,0,1,0,0|2,0,1]=4 130 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,0,0,1,0,0|1,0,2]=4 131 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.4 O=C1CCCC1=O AC2232 [0,0,0,1,0,0|0,1,1]=3 133 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,0,0,1,0,0|0,1,2]=4 134 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.18 C[C@H](N)C1CCC1 32380 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.18 C[C@H](N)C1CCC1 93059 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.18 C[C@H](N)C1CCC1 93061 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.18 NC(=O)C1CNC1 E73179 [0,0,0,1,0,0|3,0,0]=4 141 B7R1.18 NC(=O)C1COC1 D86258 [0,0,0,1,0,0|3,0,0]=4 142 B7R1.18 NC(=S)C1CCC1 N12939 [0,0,0,1,0,0|2,1,0]=4 143 B7R1.19 CC(=O)C1(F)CC1 W10354 [0,0,0,1,0,0|1,0,0]=2 144 B7R1.19 CC(C)C1(N)CC1 AT12485 [0,0,0,1,0,0|2,0,1]=4 145 B7R1.19 O=C(O)C1(Cl)CC1 96431 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.19 [2H]C1(C(=O)O)CC1 D99317 [0,0,0,1,0,0|2,0,0]=3 147 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,0,0,0,0,1|2,0,0]=3 148 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,0,0,0,0,1|2,0,0]=3 149 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,0,0,0,0,1|2,0,1]=4 150 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,0,0,0,0,1|3,0,0]=4 151 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,0,0,0,0,1|3,0,0]=4 152 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,0,0,0,0,1|3,0,0]=4 153 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 154 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|2,0,0]=4 155 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,0]=3 157 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,0]=3 158 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,0]=3 159 B4R0.1 C[C@H](S)CO AC8877 [2,0,0,0,0,0|1,0,0]=3 160 B4R0.1 C[C@H](S)CS T72965 [2,0,0,0,0,0|1,0,0]=3 161 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|2,0,0]=4 162 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|2,0,0]=4 163 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 164 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 165 B4R0.1 [2H][C@H](Br)CC D99041 [2,0,0,0,0,0|2,0,0]=4 166 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|1,0,1]=4 167 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|1,0,1]=4 168 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 169 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,1]=4 170 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|2,0,0]=4 171 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|2,0,0]=4 172 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 173 B6R0.1 C=C[C@@H](C)CCC T72328 [1,1,0,0,0,0|1,0,1]=4 174 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|1,0,1]=4 175 B6R0.1 CCNC(=O)OC C16084 [1,1,0,0,0,0|1,0,0]=3 176 B6R0.1 CCOC(=N)CCl AC8745 [1,1,0,0,0,0|2,0,0]=4 177 B6R0.1 CCOC(=S)SC AC9840 [1,1,0,0,0,0|1,1,0]=4 178 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|1,0,0]=3 179 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|1,0,0]=3 180 B6R0.1 CONC(=O)CCl AT14830 [1,1,0,0,0,0|2,0,0]=4 181 B6R0.1 O=C(CCCl)NO AC8818 [1,1,0,0,0,0|2,0,0]=4 182 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [1,1,0,0,0,0|2,0,0]=4 183 B6R0.2 CC(C)C[C@H](C)N 90224 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.2 C[C@H](N)CN(C)C AT11417 [1,1,0,0,0,0|2,0,0]=4 185 B6R0.2 C[C@H](N)CN(C)C C78207 [1,1,0,0,0,0|2,0,0]=4 186 B6R0.2 C[C@H](N)CN(C)C C78491 [1,1,0,0,0,0|2,0,0]=4 187 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,0]=3 188 B6R0.4 CC#CCC(=O)O AT21835 [1,1,0,0,0,0|1,0,1]=4 189 B6R0.4 CCCNC(=S)[S-] I11294 [1,1,0,0,0,0|1,1,0]=4 190 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,0]=3 191 B6R0.4 CCNC[C@H](C)O 91070 [1,1,0,0,0,0|0,0,2]=4 192 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|1,0,0]=3 193 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|1,0,0]=3 194 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,0,0]=3 195 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|1,0,1]=4 196 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|0,0,2]=4 197 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|0,0,2]=4 198 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|1,0,0]=3 199 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,0]=3 200 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 NOCCC(=O)O AT14539 [1,1,0,0,0,0|2,0,0]=4 202 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.4 O=[N+]([O-])CCCO A12344 [1,1,0,0,0,0|2,0,0]=4 204 B6R0.5 CCCC(C)(C)C D87693 [1,1,0,0,0,0|1,0,1]=4 205 B6R0.5 CCCP(=O)(Cl)Cl F17192 [1,1,0,0,0,0|2,0,0]=4 206 B6R0.5 CCO[P@@](C)(=O)O 88048 [1,1,0,0,0,0|2,0,0]=4 207 B6R0.8 CCC(C)(Br)CC F20158 [1,1,0,0,0,0|1,0,1]=4 208 B6R0.8 [2H]C([2H])(C=O)CC D98579 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.9 CCC(OC)OC D87756 [1,1,0,0,0,0|1,1,0]=4 210 B6R0.9 CC[C@H](C#N)C=O 81909 [1,1,0,0,0,0|1,0,0]=3 211 B6R0.7 CC(=O)C(C)(F)F AT12473 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [1,1,0,0,0,0|2,0,0]=4 215 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,1,0,0,0,1|2,0,0]=4 216 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,1,0,0,0,1|2,0,0]=4 217 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,1,0,0,0,1|1,0,0]=3 218 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,1,0,0,0,1|2,0,0]=4 219 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,1,0,0,0,1|2,0,0]=4 220 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,1,0,0,0,1|1,0,0]=3 221 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,1,0,0,0,1|0,1,0]=3 222 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,0,0,0,1|2,0,0]=4 223 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [0,1,0,0,0,1|2,0,0]=4 224 B8R0.3 C#CC[C@H](N)C(=O)OC AT23614 [0,2,0,0,0,0|1,0,1]=4 225 B8R0.3 C#CC[C@H](N)C(=O)OC AT23615 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.3 C#CC[C@H](N)C(=O)OC AT23616 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,2,0,0,0,0|1,0,1]=4 228 B8R0.3 C=CC[C@H](N)C(=O)OC 50495 [0,2,0,0,0,0|1,0,1]=4 229 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,2,0,0,0,0|1,0,0]=3 230 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,2,0,0,0,0|2,0,0]=4 231 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,2,0,0,0,0|2,0,0]=4 233 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,2,0,0,0,0|2,0,0]=4 234 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,2,0,0,0,0|0,1,0]=3 235 B8R0.8 C=CCC[C@H](N)C(=O)O AT23573 [0,2,0,0,0,0|2,0,0]=4 236 B8R0.8 C=CCC[C@H](N)C(=O)O AT23574 [0,2,0,0,0,0|2,0,0]=4 237 B8R0.8 CC#CC[C@H](N)C(=O)O C15512 [0,2,0,0,0,0|2,0,0]=4 238 B8R0.8 CC(=O)N(C)CCCN C78500 [0,2,0,0,0,0|2,0,0]=4 239 B8R0.8 CCCC[C@H](N)C(N)=O S11604 [0,2,0,0,0,0|2,0,0]=4 240 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,2,0,0,0,0|2,0,0]=4 241 B8R0.12 CC(C)(CCF)C(=O)O AT15946 [0,2,0,0,0,0|2,0,0]=4 242 B8R0.12 CC(C)(CCN)C(=O)O 30051 [0,2,0,0,0,0|2,0,0]=4 243 B8R0.12 CC(C)(CCN)C(=O)O 74008 [0,2,0,0,0,0|2,0,0]=4 244 B8R0.12 CCCC(F)(F)C(=O)O AT13009 [0,2,0,0,0,0|2,0,0]=4 245 B8R0.12 CCC[C@](C)(N)C(=O)O AT19771 [0,2,0,0,0,0|2,0,0]=4 246 B8R0.12 CCC[C@](C)(N)C(=O)O D78558 [0,2,0,0,0,0|2,0,0]=4 247 B8R0.12 CCNC(C)(C)C(=O)O AT23404 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.12 CNCC(F)(F)C(=O)O F53123 [0,2,0,0,0,0|2,0,0]=4 249 B8R0.12 CNCC(F)(F)C(=O)O F53124 [0,2,0,0,0,0|2,0,0]=4 250 B8R0.12 COCC(F)(F)C(=O)O AT25474 [0,2,0,0,0,0|2,0,0]=4 251 B8R0.12 COC[C@](C)(N)C(=O)O AT12803 [0,2,0,0,0,0|2,0,0]=4 252 B8R0.12 CSCC(C)(C)C(=O)O W18315 [0,2,0,0,0,0|2,0,0]=4 253 B8R0.12 [2H]C([2H])(CCC)C(=O)O D98364 [0,2,0,0,0,0|2,0,0]=4 254 B8R0.12 [2H]C([2H])(CCN)C(=O)O D98120 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,2,0,0,0,0|2,0,0]=4 256 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,2,0,0,0,0|2,0,0]=4 257 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,2,0,0,0,0|1,1,0]=4 258 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,2,0,0,0,0|1,1,0]=4 259 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,2,0,0,0,0|2,0,0]=4 260 B8R0.13 COC(=O)C(F)(F)CBr AT22612 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.13 COC(=O)[C@@](C)(N)CO AT18244 [0,2,0,0,0,0|2,0,0]=4 262 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,2,0,0,0,0|2,0,0]=4 263 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,2,0,0,0,0|2,0,0]=4 264 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,2,0,0,0,0|2,0,0]=4 265 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,2,0,0,0,0|1,1,0]=4 268 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,2,0,0,0,0|1,1,0]=4 269 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|1,0,1]=4 270 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 271 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|2,0,0]=4 272 B6R1.5 CC1CC(C)N1 P20516 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 274 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|1,0,0]=3 276 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|1,0,1]=4 277 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|1,0,1]=4 278 B6R1.10 O=S1(=O)CCC1 A12652 [1,0,0,1,0,0|2,0,0]=4 279 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [1,0,0,1,0,0|2,0,0]=4 280 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [1,0,0,1,0,0|2,0,0]=4 281 B6R1.4 CC1CCC1N W15200 [1,0,0,1,0,0|1,0,1]=4 282 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,0,0,1,0,1|2,0,0]=4 283 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,0,0,1,0,1|1,0,0]=3 284 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,0,0,1,0,1|1,0,0]=3 285 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,0,0,1,0,1|2,0,0]=4 286 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,0,0,1,0,1|2,0,0]=4 287 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,0,0,1,0,1|2,0,0]=4 288 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,0,0,1,0,1|2,0,0]=4 289 B8R1.4 CN1CCCC(=O)C1 C14007 [0,0,0,1,0,1|2,0,0]=4 290 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,0,0,1,0,1|2,0,0]=4 291 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,0,0,1,0,1|1,0,0]=3 292 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,0,0,1,0,1|1,0,0]=3 293 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,0,0,1,0,1|2,0,0]=4 294 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,0,0,1,0,1|2,0,0]=4 295 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,0,0,1,0,1|1,0,1]=4 296 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,0,0,1,0,1|0,1,0]=3 297 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,0,0,1,0,1|2,0,0]=4 298 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,0,0,1,0,1|1,1,0]=4 299 B8R1.18 CC1CC(=O)OC1C AC8330 [0,0,0,1,0,1|1,0,0]=3 300 B8R1.18 CC1CC(=O)OC1O S10278 [0,0,0,1,0,1|0,1,0]=3 301 B8R1.18 CC1NC(=O)CC1O 94943 [0,0,0,1,0,1|1,1,0]=4 302 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,0,0,1,0,1|1,0,1]=4 303 B8R1.34 CC(=O)NC1CNC1 33732 [0,0,0,1,0,1|2,0,0]=4 304 B8R1.34 CC(=O)SC1CNC1 P12390 [0,0,0,1,0,1|2,0,0]=4 305 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,0,0,1,0,1|2,0,0]=4 306 B8R1.43 CCC1CC1C(=O)O AT12378 [0,0,0,1,0,1|2,0,0]=4 307 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,0,0,1,0,1|2,0,0]=4 308 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,1,0,0|1,0,1]=4 309 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,1,0,0|2,0,0]=4 310 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,1,0,0|2,0,0]=4 311 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,1,0,0|1,0,0]=3 312 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|1,0,0]=3 313 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,1,0,0|1,0,1]=4 315 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,1,0,0|1,0,0]=3 316 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,1,0,0|1,0,0]=3 317 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,1,0,0|1,0,0]=3 318 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,1,0,1,0,0|0,1,0]=3 321 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,1,0,1,0,0|1,0,0]=3 322 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,1,0,1,0,0|1,1,0]=4 324 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [0,1,0,1,0,0|1,0,0]=3 325 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [0,1,0,1,0,0|1,0,0]=3 326 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [0,1,0,1,0,0|1,1,0]=4 327 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,1,0,1,0,0|2,0,0]=4 328 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,1,0,1,0,0|2,0,0]=4 329 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,1,0,1,0,0|2,0,0]=4 330 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.78 CC1(C(=O)Cl)CCC1 C77609 [0,1,0,1,0,0|2,0,0]=4 332 B8R1.78 CC1(C(=O)O)CNC1 A50764 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.78 NC(=O)C1(N)CNC1 P13008 [0,1,0,1,0,0|2,0,0]=4 334 B8R1.78 NC1(C(=O)O)COC1 AT13394 [0,1,0,1,0,0|2,0,0]=4 335 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,1,0,0|1,0,0]=3 336 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,1,0,0|0,1,0]=3 337 B8R1.38 CCC(=O)C1CCC1 F53463 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.38 NCC(=O)N1CCC1 C77774 [0,1,0,1,0,0|2,0,0]=4 340 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.50 CC1CCC(C)C1=O F12414 [0,1,0,1,0,0|1,0,0]=3 342 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,1,0,1,0,0|0,1,0]=3 344 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,1,0,1,0,0|1,1,0]=4 345 B8R1.63 C=CC1(C(=O)O)CC1 AT12374 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.63 N#CC1(C(N)=O)CC1 C72948 [0,1,0,1,0,0|2,0,0]=4 347 B8R1.63 NCC1(C(=O)O)CC1 AT13932 [0,1,0,1,0,0|2,0,0]=4 348 B8R1.63 NCC1(C(=O)O)CC1 C14697 [0,1,0,1,0,0|2,0,0]=4 349 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|1,0,0]=3 350 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|2,0,0]=4 351 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,0,0,0,0,2|1,1,0]=4