0 B5R0.3 C#CC(O)C#C A11306 [0,0,0,0,0,0|0,0,4]=4 1 B5R0.3 C#C[C@@H](C)CC W11641 [0,0,0,0,0,0|1,0,2]=3 2 B5R0.3 C#C[C@@H](N)CO F30984 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.3 C=C(CC)CBr C77504 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.3 C=C(CC)CC D90428 [0,0,0,0,0,0|1,0,3]=4 5 B5R0.3 CC(CI)CI AC4732 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.3 CCC(=O)CCl AT22640 [0,0,0,0,0,0|1,0,3]=4 7 B5R0.3 CCP(Cl)CC A12755 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CC[C@H](C)CBr D86395 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[C@H](C)CN 88661 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.3 CC[C@H](C)CO 88660 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.3 CC[C@H](C)NN AB8698 [0,0,0,0,0,0|3,0,0]=3 12 B5R0.3 CC[C@H](C)ON AT14504 [0,0,0,0,0,0|3,0,0]=3 13 B5R0.3 CC[C@H](N)C#N AT12684 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CC[C@H](N)C#N AT12685 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CC[C@H](N)C#N N14345 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 CN[C@@H](C)C#N AT19980 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.3 CO[C@@H](C)CN 91000 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 C[C@@H](CO)CBr C16753 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 C\C(=C/I)CO E70219 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.3 NC[C@H](F)CO AT21904 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 O=C[C@@H](O)CO C15860 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.3 O=C[C@@H](O)CO S10019 [0,0,0,0,0,0|2,0,0]=2 23 B5R0.3 OCC(F)CO AT19575 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 [2H]N(CC)CC D98468 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 C=C(Br)CN 94099 [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 C=C(Br)CN AC8267 [1,0,0,0,0,0|2,0,1]=4 27 B4R0.1 C=C(Cl)CI AT26028 [1,0,0,0,0,0|2,0,1]=4 28 B4R0.1 C=C=C(C)C T72680 [1,0,0,0,0,0|1,0,2]=4 29 B4R0.1 C=C[N+](=O)[O-] AT20025 [1,0,0,0,0,0|2,0,1]=4 30 B4R0.1 CC(C)CN T72053 [1,0,0,0,0,0|2,0,1]=4 31 B4R0.1 CC[13C](=O)O D99417 [1,0,0,0,0,0|1,0,1]=3 32 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|1,0,1]=3 33 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|1,0,1]=3 34 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|1,0,1]=3 35 B4R0.1 C[C@H](O)C#N 12324 [1,0,0,0,0,0|1,0,1]=3 36 B4R0.1 C[C@H](S)CO AC8877 [1,0,0,0,0,0|1,1,1]=4 37 B4R0.1 C[C@H](S)CS T72965 [1,0,0,0,0,0|1,1,1]=4 38 B4R0.1 [15NH2]CC(=O)O 41444 [1,0,0,0,0,0|2,0,1]=4 39 B4R0.1 [2H]OC(C)C D98571 [1,0,0,0,0,0|3,0,0]=4 40 B4R0.1 [2H][C@H](Br)CC D99041 [1,0,0,0,0,0|2,0,0]=3 41 B4R0.2 C#CCSC AT19944 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|0,0,2]=3 43 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|1,0,0]=2 44 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|1,0,2]=4 46 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|1,0,1]=3 47 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|2,0,1]=4 49 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|2,0,1]=4 50 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|2,0,1]=4 51 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|3,0,0]=4 53 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|2,0,0]=3 54 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|2,0,0]=3 55 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|2,0,0]=3 56 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|2,0,0]=3 57 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|1,0,0]=2 58 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|1,0,0]=2 59 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,1,0,0,0,0|0,0,1]=2 60 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|2,0,1]=4 61 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|1,0,2]=4 62 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|1,0,2]=4 63 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|1,0,2]=4 64 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|0,0,2]=3 65 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 CNC[C@H](O)CO 56523 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.1 CNC[C@H](O)CO 56531 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.1 COC[C@@H](C)CO O10176 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.1 COC[C@@H](N)CO 91276 [0,1,0,0,0,0|2,0,1]=4 70 B6R0.1 COC[C@@H](N)CO 91277 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.1 COC[C@@H](N)CO C90595 [0,1,0,0,0,0|2,0,1]=4 72 B6R0.1 COC[C@@H](O)CN 94766 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.1 COC[C@@H](O)CN 98632 [0,1,0,0,0,0|1,0,1]=3 74 B6R0.1 COC[C@H](C)C#N C77646 [0,1,0,0,0,0|2,0,1]=4 75 B6R0.1 COC[C@H](N)C#N AT12993 [0,1,0,0,0,0|2,0,1]=4 76 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.1 C[C@H](CN)CCO AT20757 [0,1,0,0,0,0|2,0,1]=4 79 B6R0.1 C[C@H](CO)CCO 96740 [0,1,0,0,0,0|2,0,1]=4 80 B6R0.1 NC[C@@H](N)CCO AT20759 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.1 N[C@H](CO)CCO AB10001 [0,1,0,0,0,0|2,0,1]=4 82 B6R0.1 O[C@H](CCl)CCCl T70626 [0,1,0,0,0,0|1,0,1]=3 83 B6R0.3 C=C(CC)C(=O)O 81925 [0,1,0,0,0,0|2,0,1]=4 84 B6R0.3 C=CC(=O)C(C)C C77506 [0,1,0,0,0,0|0,0,2]=3 85 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,0,0,0,0|1,0,0]=2 86 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,0,0,0,0|1,0,0]=2 87 B6R0.3 C=C[C@H](N)C(=O)O 33549 [0,1,0,0,0,0|2,0,1]=4 88 B6R0.3 C=C[C@H](N)C(=O)O 33604 [0,1,0,0,0,0|2,0,1]=4 89 B6R0.3 C=C[C@H](N)C(=O)O F31266 [0,1,0,0,0,0|2,0,1]=4 90 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [0,1,0,0,0,0|2,0,1]=4 91 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,1,0,0,0,0|1,0,1]=3 92 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [0,1,0,0,0,0|2,0,0]=3 93 B6R0.3 CC(O)C(N)CO D75101 [0,1,0,0,0,0|2,0,1]=4 94 B6R0.3 CCC(=O)C(N)=S 94003 [0,1,0,0,0,0|1,0,2]=4 95 B6R0.3 CCC(C)C(C)N 78513 [0,1,0,0,0,0|1,0,2]=4 96 B6R0.3 CCC(N)C(C)O N14662 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.3 CC[C@H](N)C(C)C 74049 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,0,0,0,0|1,1,0]=3 99 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,1,0,0,0,0|3,0,0]=4 100 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,1,0,0,0,0|2,0,1]=4 101 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,1,0,0,0,0|2,0,1]=4 102 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,1,0,0,0,0|3,0,0]=4 103 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,1,0,0,0,0|3,0,0]=4 104 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,1,0,0,0,0|3,0,0]=4 105 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,1,0,0,0,0|3,0,0]=4 106 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,1,0,0,0,0|3,0,0]=4 107 B6R0.3 NC[C@H](O)C(F)F 70902 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.3 NC[C@H](O)C(F)F AC1730 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,1,0,0,0,0|3,0,0]=4 110 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,1,0,0,0,0|3,0,0]=4 111 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,1,0,0,0,0|3,0,0]=4 112 B6R0.3 OC[C@H](O)C(F)F AT21960 [0,1,0,0,0,0|2,0,1]=4 113 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,1,0,0,0,0|3,0,0]=4 114 B6R0.8 C=CC(C)(C)CO C77629 [0,1,0,0,0,0|2,0,0]=3 115 B6R0.8 C=CS(=O)(=O)NC AT20641 [0,1,0,0,0,0|2,0,1]=4 116 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.8 CCC(C)(Br)CC F20158 [0,1,0,0,0,0|1,0,2]=4 118 B6R0.8 CC[C@](C)(N)C#N 20939 [0,1,0,0,0,0|2,0,1]=4 119 B6R0.8 CC[C@](C)(N)CO D75057 [0,1,0,0,0,0|2,0,1]=4 120 B6R0.8 CC[C@](C)(O)CO D78587 [0,1,0,0,0,0|1,0,1]=3 121 B6R0.8 C[C@](O)(CN)CO AT10630 [0,1,0,0,0,0|2,0,1]=4 122 B6R0.8 [2H]C([2H])(C=O)CC D98579 [0,1,0,0,0,0|2,0,0]=3 123 B6R0.8 [2H]C([2H])(CC)CBr D98198 [0,1,0,0,0,0|2,0,1]=4 124 B6R0.9 CCC(OC)OC D87756 [0,1,0,0,0,0|1,0,1]=3 125 B6R0.9 CC[C@H](C#N)C=O 81909 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.9 [C-]#[N+]C(OC)OC S10362 [0,1,0,0,0,0|2,0,1]=4 127 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|2,0,1]=4 128 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|1,0,2]=4 129 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,1,0,0|2,0,1]=4 130 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,1,0,0|2,0,1]=4 131 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|1,0,2]=4 132 B6R1.4 CC1NCC1O P13360 [0,0,0,1,0,0|1,0,1]=3 133 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|2,0,1]=4 134 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,0,1,0,0|1,0,1]=3 135 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,0,0,1,0,0|1,0,1]=3 136 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,0,1,0,0|1,0,1]=3 137 B6R1.6 N#C[C@@H]1CCN1 P14909 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.6 NOC1CCC1 97653 [0,0,0,1,0,0|3,0,0]=4 139 B6R1.7 C#CC1(N)CC1 F51939 [0,0,0,1,0,0|1,0,2]=4 140 B6R1.7 CC1(C#N)CC1 94087 [0,0,0,1,0,0|2,0,1]=4 141 B6R1.7 NCC1(N)CC1 91266 [0,0,0,1,0,0|2,0,1]=4 142 B6R1.8 CC1CC1C#N C77546 [0,0,0,1,0,0|2,0,1]=4 143 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|2,0,1]=4 144 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|2,0,1]=4 145 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|2,0,1]=4 146 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|2,0,1]=4 147 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 148 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 151 B3R0.2 CC(=O)O 41449 [2,0,0,0,0,0|1,0,1]=4 152 B3R0.2 CC(C)N T72805 [2,0,0,0,0,0|1,0,1]=4 153 B3R0.2 [2H][C@@H](C)I D98644 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|1,0,1]=4 155 B5R0.1 C=CCC(=C)C T72918 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.1 CC(C)\C=N\O D77551 [1,1,0,0,0,0|2,0,0]=4 158 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,1]=4 159 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,1]=4 160 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|1,0,1]=4 161 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|1,0,1]=4 162 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|1,0,1]=4 163 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|0,0,1]=3 164 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|0,0,1]=3 165 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,0,1]=4 167 B5R0.1 C\C=C/B(O)O D78549 [1,1,0,0,0,0|2,0,0]=4 168 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|1,0,0]=3 169 B5R0.1 NCCC(=O)O T70551 [1,1,0,0,0,0|1,0,1]=4 170 B5R0.1 NCC[P@H](=O)O S12399 [1,1,0,0,0,0|2,0,0]=4 171 B5R0.4 [2H]C([2H])(Br)CC D97995 [1,1,0,0,0,0|2,0,0]=4 172 B5R0.4 [2H]C([2H])(C)C=O D98006 [1,1,0,0,0,0|2,0,0]=4 173 B5R0.4 [2H]C([2H])(I)CC D97861 [1,1,0,0,0,0|2,0,0]=4 174 B5R0.4 [2H]C([2H])(O)CC D99543 [1,1,0,0,0,0|1,0,0]=3 175 B5R0.5 CC(=O)[C@H](C)N 91522 [1,1,0,0,0,0|1,0,1]=4 176 B5R0.5 CC(C)C(=O)O A11457 [1,1,0,0,0,0|1,0,1]=4 177 B5R0.5 CC(C)C(I)I AC2721 [1,1,0,0,0,0|2,0,0]=4 178 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,1,0,0,0,0|2,0,0]=4 179 B5R0.5 CC(C)[C@H](C)Br AT23713 [1,1,0,0,0,0|1,0,1]=4 180 B5R0.5 CC(C)[C@H](C)N A12293 [1,1,0,0,0,0|1,0,1]=4 181 B5R0.5 CC(N)C(C)N AT12970 [1,1,0,0,0,0|1,0,1]=4 182 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.5 C[C@H](F)C(=O)O 36890 [1,1,0,0,0,0|1,0,1]=4 184 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.5 C[C@H](O)C(=N)N F21307 [1,1,0,0,0,0|1,0,0]=3 186 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,1,0,0,0,0|0,0,1]=3 187 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,1,0,0,0,0|1,0,1]=4 188 B5R0.2 C#CCCOC AC9661 [1,1,0,0,0,0|0,0,2]=4 189 B5R0.2 C#CCNCC AT19974 [1,1,0,0,0,0|0,0,2]=4 190 B5R0.2 C=CCCC#N C16042 [1,1,0,0,0,0|0,0,1]=3 191 B5R0.2 C=CCCON S12259 [1,1,0,0,0,0|1,0,0]=3 192 B5R0.2 C=CCNC#N D77561 [1,1,0,0,0,0|1,0,1]=4 193 B5R0.2 CCCC#CI T71796 [1,1,0,0,0,0|0,0,2]=4 194 B5R0.2 CCCCNN AC6660 [1,1,0,0,0,0|1,0,1]=4 195 B5R0.2 CCCCNO AT14838 [1,1,0,0,0,0|1,0,1]=4 196 B5R0.2 CCCNOC AT24927 [1,1,0,0,0,0|1,0,1]=4 197 B5R0.2 CNCCSC D87904 [1,1,0,0,0,0|1,0,1]=4 198 B5R0.2 COCCNN AC7088 [1,1,0,0,0,0|2,0,0]=4 199 B5R0.2 C\C=C\CCN AT22492 [1,1,0,0,0,0|1,0,0]=3 200 B5R0.2 N#CCCCN N13271 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.2 NCCCNN W10659 [1,1,0,0,0,0|2,0,0]=4 202 B5R0.2 NCCCNO AT14843 [1,1,0,0,0,0|2,0,0]=4 203 B5R0.2 NNCCCO W10664 [1,1,0,0,0,0|2,0,0]=4 204 B5R0.2 NOCCCO P16653 [1,1,0,0,0,0|2,0,0]=4 205 B5R0.2 [2H]OCCCC D98922 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|1,0,0]=3 207 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,2,0,0,0,0|1,0,1]=4 208 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,2,0,0,0,0|0,0,2]=4 209 B7R0.3 CC[C@H](O)CCC#N F51112 [0,2,0,0,0,0|0,0,2]=4 210 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|1,0,0]=3 211 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,2,0,0,0,0|1,0,1]=4 212 B7R0.5 CC(C)[C@@H](O)CON AT14521 [0,2,0,0,0,0|1,0,1]=4 213 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,2,0,0,0,0|1,0,0]=3 214 B7R0.5 CNC[C@H](N)C(=O)O 88602 [0,2,0,0,0,0|2,0,0]=4 215 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [0,2,0,0,0,0|2,0,0]=4 216 B7R0.5 NCC[C@H](F)C(=O)O F19724 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.5 NCC[C@H](N)C(=O)O F10323 [0,2,0,0,0,0|2,0,0]=4 218 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,2,0,0,0,0|0,0,2]=4 219 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,2,0,0,0,0|1,0,1]=4 220 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,2,0,0,0,0|1,0,1]=4 221 B7R0.10 O=C[C@@H](O)[C@@H](O)CO T72661 [0,2,0,0,0,0|1,0,0]=3 222 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.11 C=CCC(C)(C)CN 68263 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.11 C=CCC(C)(C)CO 68262 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.11 CCOC(C)(C)C=O F20263 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.11 COCC(C)(C)C=O D84794 [0,2,0,0,0,0|2,0,0]=4 227 B7R0.13 C=C[C@](C)(O)C(=O)O AT23392 [0,2,0,0,0,0|1,0,1]=4 228 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,2,0,0,0,0|2,0,0]=4 229 B7R0.13 [2H]C([2H])(CC)C(=O)Cl D99427 [0,2,0,0,0,0|2,0,0]=4 230 B7R0.13 [2H]C([2H])(CC)C(=O)O D98810 [0,2,0,0,0,0|2,0,0]=4 231 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [0,2,0,0,0,0|1,0,1]=4 232 B7R0.14 CC(C)(C)[C@H](Br)C=O F31119 [0,2,0,0,0,0|2,0,0]=4 233 B7R0.15 CCC(CC)C(N)=O AC2944 [0,2,0,0,0,0|2,0,0]=4 234 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,2,0,0,0,0|1,0,1]=4 235 B7R0.15 COC(OC)C(=O)O AT19758 [0,2,0,0,0,0|2,0,0]=4 236 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [0,2,0,0,0,0|2,0,0]=4 237 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,2,0,0,0,0|2,0,0]=4 238 B7R0.18 CCC(N)(CC)CO D75115 [0,2,0,0,0,0|0,0,2]=4 239 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,1]=4 240 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|1,0,0]=3 241 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,0,1]=4 242 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,1]=4 243 B5R1.1 C1=NCCO1 F18129 [1,0,0,1,0,0|2,0,0]=4 244 B5R1.1 C1=NNCC1 F12428 [1,0,0,1,0,0|2,0,0]=4 245 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|2,0,0]=4 246 B7R1.1 CCC1=CN=CO1 C77473 [0,1,0,1,0,0|0,0,1]=3 247 B7R1.1 CCC1=COC=N1 C77618 [0,1,0,1,0,0|1,0,1]=4 248 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,1,0,0|1,0,1]=4 250 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,1,0,0|1,0,1]=4 251 B7R1.1 NCC1=COC=C1 61502 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,1,0,0|2,0,0]=4 255 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,1,0,0|2,0,0]=4 256 B7R1.1 NOC1CCCC1 97656 [0,1,0,1,0,0|0,0,2]=4 257 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,1,0,0|1,0,1]=4 258 B7R1.1 ONC1CCCC1 33366 [0,1,0,1,0,0|0,0,2]=4 259 B7R1.1 ONC1CCCC1 33756 [0,1,0,1,0,0|0,0,2]=4 260 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,1,0,0|1,0,1]=4 262 B7R1.2 O=C1C=C(O)CN1 F14818 [0,1,0,1,0,0|1,0,1]=4 263 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,1,0,0|0,0,1]=3 264 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,1,0,0|1,0,0]=3 266 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|1,0,0]=3 267 B7R1.3 OC1=CN=NCC1 S11490 [0,1,0,1,0,0|1,0,1]=4 268 B7R1.4 CC1CNCC1O 72148 [0,1,0,1,0,0|0,0,2]=4 269 B7R1.4 CC1CNCC1O AT22587 [0,1,0,1,0,0|0,0,2]=4 270 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|2,0,0]=4 271 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|2,0,0]=4 272 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|2,0,0]=4 273 B7R1.4 NC1COCC1O F19779 [0,1,0,1,0,0|1,0,1]=4 274 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,1,0,0|0,0,2]=4 275 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,1,0,0|1,0,1]=4 276 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,1,0,0|1,0,1]=4 277 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,1,0,0|2,0,0]=4 278 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,1,0,0|1,0,1]=4 279 B7R1.4 OC1COCC1Br AC8201 [0,1,0,1,0,0|1,0,1]=4 280 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,1,0,0|0,0,2]=4 281 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,1,0,0|1,0,1]=4 282 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,1,0,0|1,0,1]=4 283 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,1,0,1,0,0|2,0,0]=4 284 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,1,0,1,0,0|2,0,0]=4 285 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,1,0,1,0,0|0,0,2]=4 286 B7R1.10 C=C[C@@H]1CC(=O)N1 AT19037 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.10 CCC1CC(=O)C1 P12513 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.21 CCCC1(O)CC1 AT11368 [0,1,0,1,0,0|0,0,2]=4 289 B7R1.21 OCCC1(O)CC1 33693 [0,1,0,1,0,0|0,0,2]=4 290 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,1,0,1,0,0|1,0,1]=4 291 B7R1.25 CC1(C=O)CCC1 90943 [0,1,0,1,0,0|2,0,0]=4 292 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,1,0,1,0,0|1,0,1]=4 293 B7R1.18 NC(=S)C1CCC1 N12939 [0,1,0,1,0,0|2,0,0]=4 294 B7R1.19 CC(=O)C1(F)CC1 W10354 [0,1,0,1,0,0|1,0,1]=4 295 B7R1.19 O=C(O)C1(Cl)CC1 96431 [0,1,0,1,0,0|2,0,0]=4 296 B7R1.19 [2H]C1(C(=O)O)CC1 D99317 [0,1,0,1,0,0|2,0,0]=4 297 B7R1.29 CCC1(CC)CO1 91067 [0,1,0,1,0,0|0,0,2]=4 298 B7R1.29 CCC1(CO)CC1 AT23872 [0,1,0,1,0,0|0,0,2]=4 299 B7R1.29 CC[C@]1(CCl)CO1 T71304 [0,1,0,1,0,0|1,0,1]=4 300 B7R1.29 CNC1(CO)CC1 98659 [0,1,0,1,0,0|1,0,1]=4 301 B7R1.29 COC1(CN)CC1 P17998 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.29 NCC1(CO)CC1 C77891 [0,1,0,1,0,0|1,0,1]=4