0 B5R0.3 C#C[C@@H](C)CC W11641 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.3 C#C[C@@H](N)CO F30984 [0,0,0,0,0,0|1,1,2]=4 2 B5R0.3 C=C(CC)CBr C77504 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 C=C(CC)CC D90428 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.3 CC(CI)CI AC4732 [0,0,0,0,0,0|2,0,0]=2 5 B5R0.3 CCC(=O)CCl AT22640 [0,0,0,0,0,0|2,0,1]=3 6 B5R0.3 CCP(Cl)CC A12755 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.3 CC[C@H](C)CBr D86395 [0,0,0,0,0,0|1,0,0]=1 8 B5R0.3 CC[C@H](C)CN 88661 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.3 CC[C@H](C)CO 88660 [0,0,0,0,0,0|0,1,0]=1 10 B5R0.3 CC[C@H](C)NN AB8698 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.3 CC[C@H](C)ON AT14504 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.3 CC[C@H](N)C#N AT12684 [0,0,0,0,0,0|2,0,1]=3 13 B5R0.3 CC[C@H](N)C#N AT12685 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CC[C@H](N)C#N N14345 [0,0,0,0,0,0|2,0,1]=3 15 B5R0.3 CN[C@@H](C)C#N AT19980 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 COC(=N)CCl H10399 [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|2,0,0]=2 18 B5R0.3 C[C@@H](CO)CBr C16753 [0,0,0,0,0,0|1,1,0]=2 19 B5R0.3 C\C(=C/I)CO E70219 [0,0,0,0,0,0|1,1,2]=4 20 B5R0.3 NC[C@H](F)CO AT21904 [0,0,0,0,0,0|2,1,0]=3 21 B5R0.3 O=C[C@@H](O)CO C15860 [0,0,0,0,0,0|2,1,1]=4 22 B5R0.3 O=C[C@@H](O)CO S10019 [0,0,0,0,0,0|2,1,1]=4 23 B5R0.3 OCC(F)CO AT19575 [0,0,0,0,0,0|2,1,0]=3 24 B5R0.3 [2H]N(CC)CC D98468 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 C=C=C(C)C T72680 [1,0,0,0,0,0|0,0,3]=4 26 B4R0.1 CC(=O)CN D87844 [1,0,0,0,0,0|1,1,1]=4 27 B4R0.1 CC(C)CN T72053 [1,0,0,0,0,0|1,0,0]=2 28 B4R0.1 CC[13C](=O)O D99417 [1,0,0,0,0,0|1,1,1]=4 29 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|1,0,0]=2 31 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|1,0,0]=2 32 B4R0.1 C[C@H](O)C#N 12324 [1,0,0,0,0,0|1,1,1]=4 33 B4R0.1 C[C@H](S)CO AC8877 [1,0,0,0,0,0|1,0,0]=2 34 B4R0.1 C[C@H](S)CS T72965 [1,0,0,0,0,0|1,0,0]=2 35 B4R0.1 [2H]OC(C)C D98571 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 [2H][C@H](Br)CC D99041 [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 C#CCSC AT19944 [1,0,0,0,0,0|2,0,1]=4 38 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|1,0,2]=4 39 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|1,0,2]=4 40 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|1,0,2]=4 41 B4R0.2 CC#CCN AT19966 [1,0,0,0,0,0|1,0,2]=4 42 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 CNCCS AT25552 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 COCCS AT13674 [1,0,0,0,0,0|1,0,0]=2 46 B4R0.2 NCCCI AC8002 [1,0,0,0,0,0|2,0,0]=3 47 B4R0.2 NCCCN T70141 [1,0,0,0,0,0|2,0,0]=3 48 B4R0.2 NCCCN T70477 [1,0,0,0,0,0|2,0,0]=3 49 B4R0.2 NCCNO AT14839 [1,0,0,0,0,0|2,1,0]=4 50 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|1,1,1]=4 52 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|1,1,1]=4 53 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|1,1,1]=4 54 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|2,0,1]=4 55 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.1 CCC[C@H](C)CBr S11885 [0,1,0,0,0,0|1,0,0]=2 57 B6R0.1 CCOC(=N)CCl AC8745 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CC[C@H](N)CCO AT22371 [0,1,0,0,0,0|1,1,0]=3 59 B6R0.1 CC[C@H](N)COC D87652 [0,1,0,0,0,0|1,1,0]=3 60 B6R0.1 CC[C@H](N)COC D87653 [0,1,0,0,0,0|1,1,0]=3 61 B6R0.1 CC[C@H](O)CC#N A50899 [0,1,0,0,0,0|2,0,0]=3 62 B6R0.1 CNC[C@@H](C)CN T70175 [0,1,0,0,0,0|1,0,0]=2 63 B6R0.1 CNC[C@H](O)CO 56523 [0,1,0,0,0,0|1,1,0]=3 64 B6R0.1 CNC[C@H](O)CO 56531 [0,1,0,0,0,0|1,1,0]=3 65 B6R0.1 COCC(=O)CCl D85993 [0,1,0,0,0,0|2,0,1]=4 66 B6R0.1 COC[C@@H](C)CO O10176 [0,1,0,0,0,0|0,1,0]=2 67 B6R0.1 COC[C@@H](N)CO 91276 [0,1,0,0,0,0|1,1,0]=3 68 B6R0.1 COC[C@@H](N)CO 91277 [0,1,0,0,0,0|1,1,0]=3 69 B6R0.1 COC[C@@H](N)CO C90595 [0,1,0,0,0,0|1,1,0]=3 70 B6R0.1 COC[C@@H](O)CN 94766 [0,1,0,0,0,0|2,0,0]=3 71 B6R0.1 COC[C@@H](O)CN 98632 [0,1,0,0,0,0|2,0,0]=3 72 B6R0.1 COC[C@H](C)C#N C77646 [0,1,0,0,0,0|1,0,1]=3 73 B6R0.1 COC[C@H](N)C#N AT12993 [0,1,0,0,0,0|2,0,1]=4 74 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,0,0,0,0|1,1,0]=3 75 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,0,0,0,0|1,1,0]=3 76 B6R0.1 C[C@H](CN)CCO AT20757 [0,1,0,0,0,0|1,0,0]=2 77 B6R0.1 C[C@H](CO)CCO 96740 [0,1,0,0,0,0|0,1,0]=2 78 B6R0.1 C\C(=C\CO)CO C92111 [0,1,0,0,0,0|0,1,2]=4 79 B6R0.1 NC[C@@H](N)CCO AT20759 [0,1,0,0,0,0|2,0,0]=3 80 B6R0.1 N[C@H](CO)CCO AB10001 [0,1,0,0,0,0|1,1,0]=3 81 B6R0.1 O[C@H](CCl)CCCl T70626 [0,1,0,0,0,0|2,0,0]=3 82 B6R0.1 [2H]OC[C@H](C)O[2H] D98238 [0,1,0,0,0,0|2,1,0]=4 83 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,0,0,0,0|1,0,1]=3 84 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,0,0,0,0|1,0,1]=3 85 B6R0.3 CC(C)[C@@H](O)CN V10285 [0,1,0,0,0,0|2,0,0]=3 86 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [0,1,0,0,0,0|1,1,1]=4 87 B6R0.3 CC(O)C(N)CO D75101 [0,1,0,0,0,0|1,1,0]=3 88 B6R0.3 CCC(C)C(C)N 78513 [0,1,0,0,0,0|1,0,0]=2 89 B6R0.3 CCC(N)C(C)O N14662 [0,1,0,0,0,0|1,1,0]=3 90 B6R0.3 CC[C@H](N)C(C)C 74049 [0,1,0,0,0,0|2,0,0]=3 91 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,0,0,0,0|1,1,1]=4 92 B6R0.3 CN(C)C(=O)CS AT25548 [0,1,0,0,0,0|2,0,1]=4 93 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,1,0,0,0,0|1,1,1]=4 94 B6R0.3 C[C@@H](O)[C@@H](N)CO D75102 [0,1,0,0,0,0|1,1,0]=3 95 B6R0.3 C[C@@H](O)[C@@H](N)CO D75104 [0,1,0,0,0,0|1,1,0]=3 96 B6R0.3 ClC[C@H](Cl)C(Cl)Cl T71984 [0,1,0,0,0,0|3,0,0]=4 97 B6R0.3 NC[C@H](O)C(F)F 70902 [0,1,0,0,0,0|3,0,0]=4 98 B6R0.3 NC[C@H](O)C(F)F AC1730 [0,1,0,0,0,0|3,0,0]=4 99 B6R0.3 OC[C@H](O)C(F)F AT21960 [0,1,0,0,0,0|2,1,0]=4 100 B6R0.8 C=CC(C)(C)CO C77629 [0,1,0,0,0,0|0,1,2]=4 101 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.8 CC(C)(CO)ON AT14544 [0,1,0,0,0,0|2,1,0]=4 103 B6R0.8 CCC(C)(Br)CC F20158 [0,1,0,0,0,0|1,0,0]=2 104 B6R0.8 CC[C@](C)(N)C#N 20939 [0,1,0,0,0,0|1,0,1]=3 105 B6R0.8 CC[C@](C)(N)CO D75057 [0,1,0,0,0,0|0,1,0]=2 106 B6R0.8 CC[C@](C)(O)CO D78587 [0,1,0,0,0,0|0,1,0]=2 107 B6R0.8 CNC(C)(C)C#N F13452 [0,1,0,0,0,0|2,0,1]=4 108 B6R0.8 COC(C)(C)C#N AT24380 [0,1,0,0,0,0|2,0,1]=4 109 B6R0.8 COC(C)(C)CN D87550 [0,1,0,0,0,0|2,0,0]=3 110 B6R0.8 COC(C)(C)CN W19681 [0,1,0,0,0,0|2,0,0]=3 111 B6R0.8 CSC(C)(C)CCl AT13953 [0,1,0,0,0,0|2,0,0]=3 112 B6R0.8 CSC(C)(C)CN AT13938 [0,1,0,0,0,0|2,0,0]=3 113 B6R0.8 CSC(C)(C)CO AT13941 [0,1,0,0,0,0|1,1,0]=3 114 B6R0.8 C[C@](O)(CN)CO AT10630 [0,1,0,0,0,0|1,1,0]=3 115 B6R0.8 ClCC(Cl)(Cl)CCl T71704 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.8 [2H]C([2H])(C=O)CC D98579 [0,1,0,0,0,0|1,1,1]=4 117 B6R0.8 [2H]C([2H])(CC)CBr D98198 [0,1,0,0,0,0|2,0,0]=3 118 B6R0.8 [2H]C([2H])(CO)CO D98164 [0,1,0,0,0,0|2,1,0]=4 119 B6R0.9 CCC(OC)OC D87756 [0,1,0,0,0,0|2,0,0]=3 120 B6R0.9 CC[C@H](C#N)C=O 81909 [0,1,0,0,0,0|0,1,2]=4 121 B6R0.9 [C-]#[N+]C(OC)OC S10362 [0,1,0,0,0,0|3,0,0]=4 122 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,1,0,0|1,0,0]=2 123 B6R1.2 FC1CCCC1 T71800 [0,0,0,1,0,0|2,0,0]=3 124 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,1,0,0|2,0,0]=3 125 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,1,0,0|2,1,0]=4 126 B6R1.4 CC1CCC1N W15200 [0,0,0,1,0,0|1,0,0]=2 127 B6R1.4 CC1NCC1O P13360 [0,0,0,1,0,0|1,1,0]=3 128 B6R1.4 CC1OCC1N P20429 [0,0,0,1,0,0|1,1,0]=3 129 B6R1.4 C[C@H]1NC[C@@H]1O AT24512 [0,0,0,1,0,0|1,1,0]=3 130 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,0,0,1,0,0|1,1,0]=3 131 B6R1.6 CNC1COC1 F51705 [0,0,0,1,0,0|1,1,0]=3 132 B6R1.6 ClC[C@H]1CCO1 32069 [0,0,0,1,0,0|2,0,0]=3 133 B6R1.6 N#CC1CSC1 56781 [0,0,0,1,0,0|1,0,1]=3 134 B6R1.6 N#C[C@@H]1CCN1 P14909 [0,0,0,1,0,0|2,0,1]=4 135 B6R1.6 NOC1CCC1 97653 [0,0,0,1,0,0|2,0,0]=3 136 B6R1.6 NOC1COC1 97652 [0,0,0,1,0,0|2,1,0]=4 137 B6R1.7 C#CC1(N)CC1 F51939 [0,0,0,1,0,0|2,0,1]=4 138 B6R1.7 CC1(C#N)CC1 94087 [0,0,0,1,0,0|1,0,1]=3 139 B6R1.7 C[C@]1(CBr)CO1 AC6229 [0,0,0,1,0,0|1,1,0]=3 140 B6R1.7 NCC1(N)CC1 91266 [0,0,0,1,0,0|2,0,0]=3 141 B6R1.8 CC1CC1C#N C77546 [0,0,0,1,0,0|1,0,1]=3 142 B6R1.8 CC1CC1CBr P20770 [0,0,0,1,0,0|1,0,0]=2 143 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [0,0,0,1,0,0|1,0,0]=2 144 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [0,0,0,1,0,0|1,0,0]=2 145 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [0,0,0,1,0,0|1,0,0]=2 146 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,0]=3 147 B3R0.1 NCCI AC7986 [2,0,0,0,0,0|2,0,0]=4 148 B3R0.1 [2H]CCBr D98237 [2,0,0,0,0,0|2,0,0]=4 149 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 150 B3R0.2 CC(C)N T72805 [2,0,0,0,0,0|1,0,0]=3 151 B3R0.2 [2H]N(C)C D98629 [2,0,0,0,0,0|2,0,0]=4 152 B3R0.2 [2H][C@@H](C)I D98644 [2,0,0,0,0,0|2,0,0]=4 153 B5R0.1 C#CC[C@H](C)N AT12968 [1,1,0,0,0,0|1,0,1]=4 154 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|0,0,2]=4 155 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,1]=4 156 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|0,1,1]=4 157 B5R0.1 CC(C)CNN AR2531 [1,1,0,0,0,0|1,0,0]=3 158 B5R0.1 CC(C)\C=N\O D77551 [1,1,0,0,0,0|0,1,1]=4 159 B5R0.1 CCC[C@H](C)N N10856 [1,1,0,0,0,0|1,0,0]=3 160 B5R0.1 CCC[C@H](C)N N15476 [1,1,0,0,0,0|1,0,0]=3 161 B5R0.1 CN(C)CCBr F20843 [1,1,0,0,0,0|1,0,0]=3 162 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|0,1,1]=4 163 B5R0.1 CONC(C)C AT24926 [1,1,0,0,0,0|1,0,0]=3 164 B5R0.1 CSC[C@H](C)N AT10784 [1,1,0,0,0,0|1,0,0]=3 165 B5R0.1 C[C@H](N)CC#N N14213 [1,1,0,0,0,0|1,0,1]=4 166 B5R0.1 C[C@H](N)CCO 83613 [1,1,0,0,0,0|1,0,0]=3 167 B5R0.1 C[C@H](N)CCO 83649 [1,1,0,0,0,0|1,0,0]=3 168 B5R0.1 C[C@H](O)CCN D77181 [1,1,0,0,0,0|0,1,0]=3 169 B5R0.1 C[C@H](O)CCN D77194 [1,1,0,0,0,0|0,1,0]=3 170 B5R0.1 C[C@H](O)CNN W10671 [1,1,0,0,0,0|1,1,0]=4 171 B5R0.1 C[C@H](O)CON AT14481 [1,1,0,0,0,0|1,1,0]=4 172 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,1,0]=4 173 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,1,0]=4 174 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,1,0]=4 175 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|0,0,1]=3 176 B5R0.4 CC(C)(C)Cl=O D90846 [1,1,0,0,0,0|1,1,0]=4 177 B5R0.4 CC(C)(N)CF AT13343 [1,1,0,0,0,0|1,0,0]=3 178 B5R0.4 CC(C)(N)CN F16110 [1,1,0,0,0,0|1,0,0]=3 179 B5R0.4 [2H]C(C)(C)CO D98435 [1,1,0,0,0,0|0,1,0]=3 180 B5R0.4 [2H]C([2H])(Br)CC D97995 [1,1,0,0,0,0|2,0,0]=4 181 B5R0.4 [2H]C([2H])(C)CBr D99539 [1,1,0,0,0,0|2,0,0]=4 182 B5R0.4 [2H]C([2H])(C)CI D98693 [1,1,0,0,0,0|2,0,0]=4 183 B5R0.4 [2H]C([2H])(C)CO D98924 [1,1,0,0,0,0|1,1,0]=4 184 B5R0.4 [2H]C([2H])(C)NC D99751 [1,1,0,0,0,0|2,0,0]=4 185 B5R0.4 [2H]C([2H])(I)CC D97861 [1,1,0,0,0,0|2,0,0]=4 186 B5R0.4 [2H]C([2H])(O)CC D99543 [1,1,0,0,0,0|1,1,0]=4 187 B5R0.4 [2H]OC(C)(C)C D99425 [1,1,0,0,0,0|2,0,0]=4 188 B5R0.5 CC(=O)[C@H](C)N 91522 [1,1,0,0,0,0|0,1,1]=4 189 B5R0.5 CC(C)C(=O)O A11457 [1,1,0,0,0,0|0,1,1]=4 190 B5R0.5 CC(C)C(I)I AC2721 [1,1,0,0,0,0|1,0,0]=3 191 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,1,0,0,0,0|1,1,0]=4 192 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,1,0,0,0,0|0,1,1]=4 193 B5R0.5 CC(C)[C@H](C)Br AT23713 [1,1,0,0,0,0|0,0,0]=2 194 B5R0.5 CC(C)[C@H](C)N A12293 [1,1,0,0,0,0|0,0,0]=2 195 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,1,0,0,0,0|1,1,0]=4 196 B5R0.5 CC(N)C(C)N AT12970 [1,1,0,0,0,0|1,0,0]=3 197 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [1,1,0,0,0,0|0,1,0]=3 198 B5R0.2 C#CCCOC AC9661 [1,1,0,0,0,0|1,0,1]=4 199 B5R0.2 C#CCNCC AT19974 [1,1,0,0,0,0|1,0,1]=4 200 B5R0.2 CCCC#CI T71796 [1,1,0,0,0,0|1,0,1]=4 201 B5R0.2 CCCCNN AC6660 [1,1,0,0,0,0|1,0,0]=3 202 B5R0.2 CCCCNO AT14838 [1,1,0,0,0,0|0,1,0]=3 203 B5R0.2 CCCNOC AT24927 [1,1,0,0,0,0|1,1,0]=4 204 B5R0.2 CNCCSC D87904 [1,1,0,0,0,0|1,0,0]=3 205 B5R0.2 COCCNN AC7088 [1,1,0,0,0,0|2,0,0]=4 206 B5R0.2 CONCCO AT24903 [1,1,0,0,0,0|1,1,0]=4 207 B5R0.2 C\C=C\CCN AT22492 [1,1,0,0,0,0|1,0,1]=4 208 B5R0.2 N#CCCCN N13271 [1,1,0,0,0,0|1,0,1]=4 209 B5R0.2 NCCCNN W10659 [1,1,0,0,0,0|2,0,0]=4 210 B5R0.2 NCCCNO AT14843 [1,1,0,0,0,0|1,1,0]=4 211 B5R0.2 NNCCCO W10664 [1,1,0,0,0,0|1,1,0]=4 212 B5R0.2 NOCCCO P16653 [1,1,0,0,0,0|1,1,0]=4 213 B5R0.2 [2H]OCCCC D98922 [1,1,0,0,0,0|0,1,0]=3 214 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|1,0,0]=3 215 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,2,0,0,0,0|0,1,1]=4 216 B7R0.2 CN[C@@H](C)CC(F)F AT22542 [0,2,0,0,0,0|2,0,0]=4 217 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,2,0,0,0,0|1,0,0]=3 218 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,2,0,0,0,0|1,0,1]=4 219 B7R0.3 CC#CC[C@@H](O)CC T72024 [0,2,0,0,0,0|2,0,0]=4 220 B7R0.3 CC#CC[C@H](N)CO D75108 [0,2,0,0,0,0|1,1,0]=4 221 B7R0.3 CCCC[C@H](N)CO D75114 [0,2,0,0,0,0|1,1,0]=4 222 B7R0.3 CCCC[C@H](N)CO H10583 [0,2,0,0,0,0|1,1,0]=4 223 B7R0.3 CCSC[C@H](C)NN D88052 [0,2,0,0,0,0|2,0,0]=4 224 B7R0.3 CC[C@H](O)CCC#N F51112 [0,2,0,0,0,0|2,0,0]=4 225 B7R0.3 C[C@@H](CCCO)NN D88053 [0,2,0,0,0,0|2,0,0]=4 226 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|1,0,0]=3 227 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,2,0,0,0,0|0,1,1]=4 228 B7R0.5 CC(C)[C@@H](N)CCO F53378 [0,2,0,0,0,0|1,1,0]=4 229 B7R0.5 CC(C)[C@@H](N)CCO F53539 [0,2,0,0,0,0|1,1,0]=4 230 B7R0.5 CC(C)[C@@H](N)CCO F53816 [0,2,0,0,0,0|1,1,0]=4 231 B7R0.5 CC(C)[C@@H](O)CON AT14521 [0,2,0,0,0,0|1,1,0]=4 232 B7R0.5 COC[C@H](N)C(C)C 71787 [0,2,0,0,0,0|1,1,0]=4 233 B7R0.7 CCC[C@H](N)CCO N15481 [0,2,0,0,0,0|1,1,0]=4 234 B7R0.7 CCC[C@H](N)CCO N15482 [0,2,0,0,0,0|1,1,0]=4 235 B7R0.7 CCS[C@@H](C)CC=O D86335 [0,2,0,0,0,0|0,1,0]=3 236 B7R0.7 COCC(Br)COC D74902 [0,2,0,0,0,0|1,1,0]=4 237 B7R0.7 COCC(N)COC AT12494 [0,2,0,0,0,0|1,1,0]=4 238 B7R0.10 CCC(C)C(N)CO D75056 [0,2,0,0,0,0|0,1,0]=3 239 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|1,0,1]=4 240 B7R0.11 C=CCC(C)(C)CN 68263 [0,2,0,0,0,0|1,0,1]=4 241 B7R0.11 C=CCC(C)(C)CO 68262 [0,2,0,0,0,0|0,1,1]=4 242 B7R0.11 CC(C)(C#N)CCO AT22036 [0,2,0,0,0,0|1,0,1]=4 243 B7R0.11 CC(C)(CCl)CC#N H11136 [0,2,0,0,0,0|1,0,1]=4 244 B7R0.11 CC(C)(CCl)CCCl F11287 [0,2,0,0,0,0|1,0,0]=3 245 B7R0.11 CC(C)(CN)CCO AT20760 [0,2,0,0,0,0|1,0,0]=3 246 B7R0.11 CC(C)(CO)CC#N H11137 [0,2,0,0,0,0|0,1,1]=4 247 B7R0.11 CCCC(C)(C)CC T71064 [0,2,0,0,0,0|1,0,0]=3 248 B7R0.11 CCOC(C)(C)C=O F20263 [0,2,0,0,0,0|0,1,1]=4 249 B7R0.11 CCOC(C)(C)CC D78478 [0,2,0,0,0,0|1,0,0]=3 250 B7R0.11 COCC(C)(C)C=O D84794 [0,2,0,0,0,0|0,1,1]=4 251 B7R0.12 C#CCC(OC)OC 51903 [0,2,0,0,0,0|2,0,0]=4 252 B7R0.12 CCN(CC)CCN 95353 [0,2,0,0,0,0|2,0,0]=4 253 B7R0.13 CC(C)(CO)C(F)F AT13778 [0,2,0,0,0,0|1,1,0]=4 254 B7R0.13 CC(C)[C@@](C)(N)CO D75113 [0,2,0,0,0,0|0,1,0]=3 255 B7R0.13 CC[C@](C)(N)C(=O)O 75102 [0,2,0,0,0,0|0,1,1]=4 256 B7R0.13 C[C@H](N)C(C)(C)C#N 53159 [0,2,0,0,0,0|1,0,1]=4 257 B7R0.14 CC(C)(C)[C@@H](N)CF 97895 [0,2,0,0,0,0|2,0,0]=4 258 B7R0.14 CC(C)(C)[C@@H](N)CF 97896 [0,2,0,0,0,0|2,0,0]=4 259 B7R0.14 CC(C)(C)[C@@H](N)CO AT21573 [0,2,0,0,0,0|1,1,0]=4 260 B7R0.14 CC(C)(C)[C@@H](N)CO AT21575 [0,2,0,0,0,0|1,1,0]=4 261 B7R0.14 CC(C)(C)[C@@H](O)CN 70290 [0,2,0,0,0,0|2,0,0]=4 262 B7R0.14 CC(C)(O)[C@@H](F)CN AC4900 [0,2,0,0,0,0|2,0,0]=4 263 B7R0.14 CC(C)(O)[C@@H](N)CF C92624 [0,2,0,0,0,0|2,0,0]=4 264 B7R0.14 CC(C)(O)[C@@H](N)CF C92628 [0,2,0,0,0,0|2,0,0]=4 265 B7R0.14 CC[C@H](C)C(C)(C)C T72627 [0,2,0,0,0,0|1,0,0]=3 266 B7R0.14 CC[C@H](N)C(F)(F)F AT21558 [0,2,0,0,0,0|2,0,0]=4 267 B7R0.14 CN[C@@H](C)C(F)(F)F AT14758 [0,2,0,0,0,0|2,0,0]=4 268 B7R0.14 CN[C@@H](C)C(F)(F)F AT14766 [0,2,0,0,0,0|2,0,0]=4 269 B7R0.14 CN[C@@H](C)C(F)(F)F AT14768 [0,2,0,0,0,0|2,0,0]=4 270 B7R0.15 CCC(CC)C(N)=O AC2944 [0,2,0,0,0,0|0,1,1]=4 271 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [0,2,0,0,0,0|0,1,1]=4 272 B7R0.16 CC(C)C(C)C(C)C T72628 [0,2,0,0,0,0|1,0,0]=3 273 B7R0.18 CCC(N)(CC)CO D75115 [0,2,0,0,0,0|0,1,0]=3 274 B7R0.18 NCC(N)(CF)CF 92875 [0,2,0,0,0,0|2,0,0]=4 275 B5R1.2 C[C@H]1CCN1 71554 [1,0,0,1,0,0|1,0,0]=3 276 B5R1.2 FC1CNC1 31039 [1,0,0,1,0,0|2,0,0]=4 277 B5R1.2 IC1CNC1 P11673 [1,0,0,1,0,0|2,0,0]=4 278 B5R1.2 NC1CNC1 AC2715 [1,0,0,1,0,0|2,0,0]=4 279 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|0,0,2]=4 280 B5R1.3 IC[C@H]1CO1 CS1242 [1,0,0,1,0,0|1,1,0]=4 281 B5R1.3 NNC1CC1 P19257 [1,0,0,1,0,0|2,0,0]=4 282 B5R1.3 SCC1CC1 AT12991 [1,0,0,1,0,0|0,0,0]=2 283 B5R1.4 C[C@H]1C[C@@H]1N 73029 [1,0,0,1,0,0|1,0,0]=3 284 B5R1.4 N[C@@H]1C[C@@H]1F CS2913 [1,0,0,1,0,0|2,0,0]=4 285 B5R1.1 C1CNOC1 F14141 [1,0,0,1,0,0|1,1,0]=4 286 B7R1.1 C#C[C@@H]1CCCN1 P11309 [0,1,0,1,0,0|1,0,1]=4 287 B7R1.1 C#C[C@@H]1CCCN1 P12571 [0,1,0,1,0,0|1,0,1]=4 288 B7R1.1 C#C[C@@H]1CCCN1 P12581 [0,1,0,1,0,0|1,0,1]=4 289 B7R1.1 C#C[C@@H]1CCCN1 P15993 [0,1,0,1,0,0|1,0,1]=4 290 B7R1.1 CCC1CCCC1 T71889 [0,1,0,1,0,0|1,0,0]=3 291 B7R1.1 CC[C@H]1CCCN1 N12693 [0,1,0,1,0,0|1,0,0]=3 292 B7R1.1 CN[C@H]1CCNC1 C14692 [0,1,0,1,0,0|1,0,0]=3 293 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,1,0,0|0,1,0]=3 294 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,1,0,0|0,1,0]=3 295 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,1,0,0|0,0,0]=2 296 B7R1.1 ClC[C@H]1CCCN1 87778 [0,1,0,1,0,0|1,0,0]=3 297 B7R1.1 ClC[C@H]1CCCN1 D76474 [0,1,0,1,0,0|1,0,0]=3 298 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,1,0,0|0,1,0]=3 299 B7R1.1 FC[C@H]1CCCN1 AT24807 [0,1,0,1,0,0|1,0,0]=3 300 B7R1.1 FC[C@H]1CCCN1 P12668 [0,1,0,1,0,0|1,0,0]=3 301 B7R1.1 N#C[C@@H]1CCCN1 74927 [0,1,0,1,0,0|1,0,1]=4 302 B7R1.1 N#C[C@@H]1CCCN1 C16310 [0,1,0,1,0,0|1,0,1]=4 303 B7R1.1 N#C[C@H]1CCNC1 P10379 [0,1,0,1,0,0|1,0,1]=4 304 B7R1.1 NC[C@H]1CCCN1 C16283 [0,1,0,1,0,0|1,0,0]=3 305 B7R1.1 NC[C@H]1CCCN1 FD10638 [0,1,0,1,0,0|1,0,0]=3 306 B7R1.1 NC[C@H]1CCCN1 S10708 [0,1,0,1,0,0|1,0,0]=3 307 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,1,0,0|0,1,0]=3 308 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,1,0,0|1,1,0]=4 309 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,1,0,0|1,1,0]=4 310 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,1,0,0|1,1,0]=4 311 B7R1.1 NOC1CCCC1 97656 [0,1,0,1,0,0|2,0,0]=4 312 B7R1.1 OC[C@H]1CCCN1 11147 [0,1,0,1,0,0|0,1,0]=3 313 B7R1.1 ONC1CCCC1 33366 [0,1,0,1,0,0|1,1,0]=4 314 B7R1.1 ONC1CCCC1 33756 [0,1,0,1,0,0|1,1,0]=4 315 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,1,0,1,0,0|0,0,1]=3 316 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,1,0,0|1,1,0]=4 317 B7R1.2 CC1CNC(C)C1 83923 [0,1,0,1,0,0|1,0,0]=3 318 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,1,0,0|1,1,0]=4 319 B7R1.2 CN1CC[C@H](N)C1 56133 [0,1,0,1,0,0|2,0,0]=4 320 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,1,0,1,0,0|2,0,0]=4 321 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,1,0,0|1,0,1]=4 322 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|0,1,1]=4 323 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,1,0,1,0,0|2,0,0]=4 324 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,1,0,1,0,0|1,0,0]=3 325 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,1,0,0|1,1,0]=4 326 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,1,0,1,0,0|2,0,0]=4 327 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,1,0,1,0,0|2,0,0]=4 328 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,1,0,0|1,1,0]=4 329 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,1,0,1,0,0|2,0,0]=4 330 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,1,0,0|0,1,1]=4 331 B7R1.3 C[C@H]1CCCCN1 N14212 [0,1,0,1,0,0|1,0,0]=3 332 B7R1.3 C[C@H]1CCCNC1 F14484 [0,1,0,1,0,0|1,0,0]=3 333 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,1,0,1,0,0|1,0,0]=3 334 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,1,0,1,0,0|1,0,0]=3 335 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,1,0,1,0,0|0,0,0]=2 336 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,1,0,1,0,0|0,0,0]=2 337 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|2,0,0]=4 338 B7R1.3 N[C@H]1CCCOC1 F31015 [0,1,0,1,0,0|1,1,0]=4 339 B7R1.3 N[C@H]1CCCOC1 P11042 [0,1,0,1,0,0|1,1,0]=4 340 B7R1.4 CC1CNCC1O 72148 [0,1,0,1,0,0|0,1,0]=3 341 B7R1.4 CC1CNCC1O AT22587 [0,1,0,1,0,0|0,1,0]=3 342 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,1,0,0|1,0,0]=3 343 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,1,0,0|1,0,0]=3 344 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,1,0,0|1,0,0]=3 345 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,1,0,0|1,0,0]=3 346 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|0,1,1]=4 347 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|0,1,1]=4 348 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|0,1,1]=4 349 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,1,0,1,0,0|2,0,0]=4 350 B7R1.4 NC1CCCC1N 77840 [0,1,0,1,0,0|2,0,0]=4 351 B7R1.4 NC1COCC1O F19779 [0,1,0,1,0,0|1,1,0]=4 352 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,1,0,0|1,1,0]=4 353 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,1,0,0|1,1,0]=4 354 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,1,0,0|1,1,0]=4 355 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,1,0,0|1,1,0]=4 356 B7R1.4 OC1COCC1Br AC8201 [0,1,0,1,0,0|1,1,0]=4 357 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,1,0,0|1,1,0]=4 358 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,1,0,0|1,1,0]=4 359 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,1,0,0|1,1,0]=4 360 B7R1.5 C=CC[C@H]1C[C@@H]1O F50023 [0,1,0,1,0,0|0,1,1]=4 361 B7R1.6 CCNC1COC1 F51700 [0,1,0,1,0,0|0,1,0]=3 362 B7R1.6 ICCC1COC1 AC4775 [0,1,0,1,0,0|0,1,0]=3 363 B7R1.6 N#CCC1CNC1 P11732 [0,1,0,1,0,0|1,0,1]=4 364 B7R1.6 NCCN1CCC1 F30399 [0,1,0,1,0,0|2,0,0]=4 365 B7R1.6 NNCC1CCC1 D87549 [0,1,0,1,0,0|1,0,0]=3 366 B7R1.6 OCC[C@H]1CCN1 D76473 [0,1,0,1,0,0|1,1,0]=4 367 B7R1.6 OCC[C@H]1CCN1 F50335 [0,1,0,1,0,0|1,1,0]=4 368 B7R1.8 CN1CC[C@@H]1CN P13167 [0,1,0,1,0,0|1,0,0]=3 369 B7R1.8 CN1CC[C@@H]1CN P13169 [0,1,0,1,0,0|1,0,0]=3 370 B7R1.8 CN1CC[C@@H]1CN P15774 [0,1,0,1,0,0|1,0,0]=3 371 B7R1.8 CN1CC[C@@H]1CN P15856 [0,1,0,1,0,0|1,0,0]=3 372 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [0,1,0,1,0,0|0,1,0]=3 373 B7R1.9 NC[C@@H]1C[C@@H]1CO AT20747 [0,1,0,1,0,0|0,1,0]=3 374 B7R1.9 OC[C@H]1C[C@@H]1CO AT12391 [0,1,0,1,0,0|0,1,0]=3 375 B7R1.10 CCC1CC(=O)C1 P12513 [0,1,0,1,0,0|0,1,0]=3 376 B7R1.10 CN1CC(CN)C1 AT13378 [0,1,0,1,0,0|1,0,0]=3 377 B7R1.10 CNC1CC(O)C1 AT20141 [0,1,0,1,0,0|1,1,0]=4 378 B7R1.10 COC1CC(N)C1 P12017 [0,1,0,1,0,0|2,0,0]=4 379 B7R1.10 CSC1CC(N)C1 AT20164 [0,1,0,1,0,0|2,0,0]=4 380 B7R1.10 NCC1CC(=O)C1 A12025 [0,1,0,1,0,0|1,0,1]=4 381 B7R1.10 NCC1CC(O)C1 P11686 [0,1,0,1,0,0|1,0,0]=3 382 B7R1.10 NC[C@H]1C[C@@H](O)C1 P11930 [0,1,0,1,0,0|1,0,0]=3 383 B7R1.10 NC[C@H]1C[C@H](O)C1 P12114 [0,1,0,1,0,0|1,0,0]=3 384 B7R1.10 N[C@H]1C[C@H](CO)C1 P12115 [0,1,0,1,0,0|0,1,0]=3 385 B7R1.21 CCCC1(O)CC1 AT11368 [0,1,0,1,0,0|2,0,0]=4 386 B7R1.21 CCOC1(Br)CC1 F53374 [0,1,0,1,0,0|2,0,0]=4 387 B7R1.21 CCOC1(N)CC1 AT19095 [0,1,0,1,0,0|2,0,0]=4 388 B7R1.21 NCCC1(N)CC1 50075 [0,1,0,1,0,0|2,0,0]=4 389 B7R1.21 OCCC1(O)CC1 33693 [0,1,0,1,0,0|1,1,0]=4 390 B7R1.22 NC[C@H](N)C1CC1 I11913 [0,1,0,1,0,0|2,0,0]=4 391 B7R1.22 NC[C@H](N)C1CC1 N10759 [0,1,0,1,0,0|2,0,0]=4 392 B7R1.22 NC[C@H](O)C1CC1 V10284 [0,1,0,1,0,0|2,0,0]=4 393 B7R1.22 N[C@@H](CO)C1CC1 AT25644 [0,1,0,1,0,0|1,1,0]=4 394 B7R1.22 N[C@@H](CO)C1CC1 N11216 [0,1,0,1,0,0|1,1,0]=4 395 B7R1.25 CC1(C=O)CCC1 90943 [0,1,0,1,0,0|0,1,1]=4 396 B7R1.25 CC1(CO)CSC1 D75149 [0,1,0,1,0,0|0,1,0]=3 397 B7R1.25 CC1(CS)COC1 CS1170 [0,1,0,1,0,0|0,0,0]=2 398 B7R1.25 CCC1(N)CNC1 P11231 [0,1,0,1,0,0|1,0,0]=3 399 B7R1.25 CCC1(N)COC1 CS2262 [0,1,0,1,0,0|0,1,0]=3 400 B7R1.25 CNC1(C)COC1 39043 [0,1,0,1,0,0|1,1,0]=4 401 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,1,0,1,0,0|1,0,0]=3 402 B7R1.25 NCC1(F)CNC1 P15108 [0,1,0,1,0,0|2,0,0]=4 403 B7R1.25 OCC1(F)CNC1 38894 [0,1,0,1,0,0|1,1,0]=4 404 B7R1.17 N[C@H]1CCC1(F)F P14097 [0,1,0,1,0,0|2,0,0]=4 405 B7R1.18 CN(C)C1CNC1 S11568 [0,1,0,1,0,0|2,0,0]=4 406 B7R1.18 C[C@H](N)C1CCC1 32380 [0,1,0,1,0,0|1,0,0]=3 407 B7R1.18 C[C@H](N)C1CCC1 93059 [0,1,0,1,0,0|1,0,0]=3 408 B7R1.18 C[C@H](N)C1CCC1 93061 [0,1,0,1,0,0|1,0,0]=3 409 B7R1.18 NC(=S)C1CCC1 N12939 [0,1,0,1,0,0|0,0,2]=4 410 B7R1.19 CC(C)C1(N)CC1 AT12485 [0,1,0,1,0,0|2,0,0]=4 411 B7R1.19 NC1(C(F)F)CC1 AT11005 [0,1,0,1,0,0|2,0,0]=4 412 B7R1.23 CC1(C)C[C@@H]1CN 69322 [0,1,0,1,0,0|1,0,0]=3 413 B7R1.23 CC1(C)C[C@@H]1CN AT12868 [0,1,0,1,0,0|1,0,0]=3 414 B7R1.23 FC1(F)C[C@@H]1CBr AT12585 [0,1,0,1,0,0|2,0,0]=4 415 B7R1.23 FC1(F)C[C@@H]1CI AT12586 [0,1,0,1,0,0|2,0,0]=4 416 B7R1.23 NC[C@H]1CC1(F)F AT12581 [0,1,0,1,0,0|2,0,0]=4 417 B7R1.14 CC1(N)CCCC1 F50575 [0,1,0,1,0,0|1,0,0]=3 418 B7R1.14 C[C@]1(N)CCNC1 97388 [0,1,0,1,0,0|1,0,0]=3 419 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,1,0,0|0,1,0]=3 420 B7R1.14 C[C@]1(O)CNOC1 A50949 [0,1,0,1,0,0|1,1,0]=4 421 B7R1.14 C[C@]1(O)CNOC1 AT14854 [0,1,0,1,0,0|1,1,0]=4 422 B7R1.29 CCC1(CC)CO1 91067 [0,1,0,1,0,0|0,1,0]=3 423 B7R1.29 CCC1(CO)CC1 AT23872 [0,1,0,1,0,0|0,1,0]=3 424 B7R1.29 CC[C@]1(CCl)CO1 T71304 [0,1,0,1,0,0|0,1,0]=3 425 B7R1.29 CNC1(CO)CC1 98659 [0,1,0,1,0,0|0,1,0]=3 426 B7R1.29 COC1(CN)CC1 P17998 [0,1,0,1,0,0|1,0,0]=3 427 B7R1.29 N#CC1(CBr)CC1 C77545 [0,1,0,1,0,0|1,0,1]=4 428 B7R1.29 N#CC1(CN)CC1 A10740 [0,1,0,1,0,0|1,0,1]=4 429 B7R1.29 NCC1(CO)CC1 C77891 [0,1,0,1,0,0|0,1,0]=3 430 B7R2.13 C1CC2CC2N1 P10693 [0,0,0,2,0,0|1,0,0]=3