0 B9R1.6 CC(=O)C1=NCCCC1 2565AB [0,0,0,0,0,0|2,0,1]=3 1 B9R1.6 CN(C)C1CCOCC1 4883AB [0,0,0,0,0,0|4,0,0]=4 2 B9R1.6 N=C(N)C1CCCCC1 9639AJ [0,0,0,0,0,0|2,0,0]=2 3 B9R1.6 N=C(N)N1CCCCC1 V8019 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.6 NC(=O)N1CCCCC1 0973AB [0,0,0,0,0,0|2,0,0]=2 5 B9R1.6 O=C(O)C1CCCCN1 3297AL [0,0,0,0,0,0|1,0,0]=1 6 B9R1.6 O=C(O)C1CCCCN1 6644AH [0,0,0,0,0,0|1,0,0]=1 7 B9R1.6 O=C(O)C1CNCCN1 V5196 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 O=C(O)[C@H]1COCCN1 Z8033 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.6 O=[N+]([O-])C1=CCCCC1 Y8459 [0,0,0,0,0,0|1,0,3]=4 10 B9R1.6 OB(O)C1CCNCC1 4463AJ [0,0,0,0,0,0|2,0,1]=3 11 B9R1.6 S=C([S-])N1CCCCC1 O405 [0,0,0,0,0,0|1,2,0]=3 12 B8R1.2 CC[C@H]1CCCCN1 1287AL [1,0,0,0,0,0|2,0,1]=4 13 B8R1.2 COC1CCCCO1 7544AE [1,0,0,0,0,0|3,0,0]=4 14 B8R1.2 ClCC1CCCCC1 2451AB [1,0,0,0,0,0|1,0,1]=3 15 B8R1.2 ClCC1CCCCN1 2061AL [1,0,0,0,0,0|2,0,1]=4 16 B8R1.2 ClCC1CCNCC1 8572AB [1,0,0,0,0,0|2,0,1]=4 17 B8R1.2 ICC1CCCCN1 Z2411 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.2 NNC1CCCCC1 7551AF [1,0,0,0,0,0|2,0,0]=3 19 B8R1.2 O=CC1CCCCN1 Z3377 [1,0,0,0,0,0|1,0,0]=2 20 B8R1.2 OC[C@H]1CNCCN1 W3267 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 O=C(O)C1CCC(F)CC1 5665AD [0,1,0,0,0,0|0,0,0]=1 22 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 8585AH [0,1,0,0,0,0|1,0,0]=2 23 B10R1.15 CC(CO)C1CCCCC1 7863AB [0,1,0,0,0,0|1,0,1]=3 24 B10R1.15 CCC(=O)C1CCOCC1 9536AH [0,1,0,0,0,0|2,0,0]=3 25 B10R1.15 COC(=O)C1COCOC1 9901AA [0,1,0,0,0,0|2,0,0]=3 26 B10R1.15 COC(=O)[C@@H]1COCCN1 W8193 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.28 O=S(=O)(Cl)C1CCOCC1 X7993 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O 5119AH [0,1,0,0,0,0|1,0,0]=2 29 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O 5118AH [0,1,0,0,0,0|1,0,0]=2 30 B10R1.61 NC(=O)[C@H]1CCCC[C@H]1N 8474AJ [0,1,0,0,0,0|1,0,0]=2 31 B10R1.61 O=C(O)C1CCCCC1=O 9763AA [0,1,0,0,0,0|0,0,1]=2 32 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 9958AB [0,1,0,0,0,0|1,0,1]=3 33 B10R1.363 NC1(C(=O)O)CCCSC1 5096AB [0,1,0,0,0,0|1,0,0]=2 34 B10R1.363 NC1(C(=O)O)CCSCC1 2343AE [0,1,0,0,0,0|1,0,0]=2 35 B8R0.7 CCCCCCC(C)I 7978AF [0,0,1,0,0,0|2,0,1]=4 36 B8R0.7 NCCCCCC(=O)Cl Y1672 [0,0,1,0,0,0|2,0,0]=3 37 B8R0.8 C#CCC[C@@H](N)C(=O)O 0448AP [0,0,1,0,0,0|1,0,2]=4 38 B8R0.8 CC(=O)C(C)CCC#N 7950AC [0,0,1,0,0,0|2,0,1]=4 39 B8R0.8 CCCCC(C)C(C)O 7994AF [0,0,1,0,0,0|1,0,1]=3 40 B8R0.8 NC(CCCO)C(=O)O 7586AB [0,0,1,0,0,0|2,0,0]=3 41 B8R0.8 NCCCC(N)C(=O)O 7335AF [0,0,1,0,0,0|2,0,0]=3 42 B8R0.8 NCCCC(N)C(=O)O U283 [0,0,1,0,0,0|2,0,0]=3 43 B8R0.8 NCCC[C@@H](N)C(=O)O 7336AF [0,0,1,0,0,0|2,0,0]=3 44 B8R0.8 NCCC[C@H](N)C(=O)O O422 [0,0,1,0,0,0|2,0,0]=3 45 B8R0.8 NOCCC(N)C(=O)O 0044AC [0,0,1,0,0,0|3,0,0]=4 46 B8R0.8 O=C(O)C(Br)CCCBr 7168AA [0,0,1,0,0,0|2,0,0]=3 47 B8R0.15 CCCC(NC)C(=O)O 0624AP [0,0,1,0,0,0|1,0,0]=2 48 B10R2.61 O=C1NC2CCCN1C2 X4625 [0,0,0,1,0,0|2,0,0]=3 49 B10R2.344 O=C(O)C12CC1CCN2 5311AA [0,0,0,1,0,0|1,0,0]=2 50 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 Z3470 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.7 CC(=O)C1CCCN1 1442AJ [0,0,0,0,1,0|2,0,0]=3 52 B8R1.7 C[C@@H](N)C1CCCC1 8945AH [0,0,0,0,1,0|2,0,1]=4 53 B8R1.7 N=C(N)N1CCCC1 Y6826 [0,0,0,0,1,0|3,0,0]=4 54 B8R1.7 OC(=S)[C@H]1CCCO1 X5836 [0,0,0,0,1,0|1,1,0]=3 55 B10R1.18 O=C(Cl)CC1CCCCC1 1374AQ [0,0,0,0,0,1|1,0,0]=2 56 B10R1.18 O=C(O)CN1CCNCC1 3794AL [0,0,0,0,0,1|2,0,0]=3 57 B10R1.18 O=C(O)CN1CCNCC1 Y2974 [0,0,0,0,0,1|2,0,0]=3 58 B10R1.18 O=C(O)NC1CCCCC1 R320 [0,0,0,0,0,1|0,0,0]=1 59 B10R1.18 O=[N+]([O-])OC1CCCCC1 V1770 [0,0,0,0,0,1|1,0,1]=3 60 B7R0.1 CCCOCCCO 9024AJ [1,0,1,0,0,0|1,0,1]=4 61 B7R0.4 NOCCCC(=O)O V9806 [1,0,1,0,0,0|2,0,0]=4 62 B7R0.3 C\C=C(/C)CCCC 6098AL [1,0,1,0,0,0|1,0,1]=4 63 B7R0.5 CCCC(O)C(C)=O X3438 [1,0,1,0,0,0|2,0,0]=4 64 B7R0.5 CNC[C@H](N)C(=O)O Q369 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [1,0,1,0,0,0|2,0,0]=4 66 B7R0.5 NC(CCBr)C(=O)O 0872AA [1,0,1,0,0,0|2,0,0]=4 67 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [1,0,1,0,0,0|2,0,0]=4 68 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [1,0,1,0,0,0|1,0,0]=3 69 B7R1.3 C=C1CCCCC1 3293AA [2,0,0,0,0,0|0,0,1]=3 70 B7R1.3 C[C@@H]1CCCCN1 W3754 [2,0,0,0,0,0|1,0,1]=4 71 B7R1.3 C[C@@H]1CCCNC1 8114AA [2,0,0,0,0,0|1,0,1]=4 72 B7R1.3 NC1CCCCN1 6271AB [2,0,0,0,0,0|2,0,0]=4 73 B7R1.3 NC1CCSCC1 V4406 [2,0,0,0,0,0|2,0,0]=4 74 B7R1.3 N[C@@H]1CCCOC1 X8827 [2,0,0,0,0,0|2,0,0]=4 75 B7R1.3 N[C@H]1CCCOC1 X6276 [2,0,0,0,0,0|2,0,0]=4 76 B7R1.3 O=C1CCCNC1 7001AB [2,0,0,0,0,0|1,0,1]=4 77 B7R1.3 O=S1CCCCC1 V2389 [2,0,0,0,0,0|1,0,0]=3 78 B7R1.3 OC1CC=CCC1 Y4155 [2,0,0,0,0,0|0,0,2]=4 79 B9R0.2 CCCCCCCC(C)O R396 [0,1,1,0,0,0|1,0,1]=4 80 B9R0.2 CCCCC\C=C\C(=O)O 7944AF [0,1,1,0,0,0|0,0,1]=3 81 B9R0.2 CCC\C=C/CCC(=O)O Z6190 [0,1,1,0,0,0|0,0,1]=3 82 B9R0.38 CCCCCOP(=O)(O)O V1476 [0,1,1,0,0,0|2,0,0]=4 83 B9R0.46 C=CC(=O)CCCCCC Y8416 [0,1,1,0,0,0|1,0,0]=3 84 B9R0.46 C=CC(=O)OCCCCC W5241 [0,1,1,0,0,0|2,0,0]=4 85 B9R0.47 C=CCCCC(N)C(=O)O 0772AA [0,1,1,0,0,0|0,0,2]=4 86 B9R0.47 CCCCCC(=O)C(C)=O 7941AF [0,1,1,0,0,0|1,0,1]=4 87 B9R0.47 NC(CCCC=O)C(=O)O Y1617 [0,1,1,0,0,0|1,0,1]=4 88 B9R0.6 CCCC(O)C(C)C(C)O 7997AF [0,1,1,0,0,0|1,0,1]=4 89 B9R0.6 CCC[C@@H](O)[C@@H](N)C(=O)O Z5927 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.6 CCC[C@H](O)[C@H](N)C(=O)O Z5577 [0,1,1,0,0,0|1,0,0]=3 91 B9R0.7 CC(CCC(=O)O)C(=O)O 0280AP [0,1,1,0,0,0|1,0,1]=4 92 B9R0.7 C[C@H](CC[N+](=O)[O-])C(=O)O 1751AF [0,1,1,0,0,0|2,0,0]=4 93 B9R0.7 C[S+](C)CCC(N)C(=O)O 8997AD [0,1,1,0,0,0|2,0,0]=4 94 B9R0.13 CCCCC(CC)C(=O)[O-] O131 [0,1,1,0,0,0|0,0,1]=3 95 B9R0.13 CNC(CCCN)C(=O)O 0555AP [0,1,1,0,0,0|1,0,0]=3 96 B9R0.13 CN[C@@H](CCCN)C(=O)O Z5680 [0,1,1,0,0,0|1,0,0]=3 97 B9R0.33 CCCC(C(C)=O)C(C)=O 7942AF [0,1,1,0,0,0|1,0,1]=4 98 B9R1.1 CO[C@H]1CC[C@H](O)CC1 1248AB [1,1,0,0,0,0|2,0,0]=4 99 B9R1.1 N#C[C@H]1CC[C@@H](N)CC1 4092AD [1,1,0,0,0,0|1,0,1]=4 100 B9R1.2 N#C[C@@H]1CCC[C@@H](N)C1 3254AF [1,1,0,0,0,0|1,0,1]=4 101 B9R1.2 N[C@H]1CCC[C@H](CO)C1 8294AH [1,1,0,0,0,0|0,0,1]=3 102 B9R1.8 Br[Mg]CC1CCCCC1 8498AJ [1,1,0,0,0,0|1,0,1]=4 103 B9R1.8 C=CCN1CCCCC1 7951AF [1,1,0,0,0,0|2,0,0]=4 104 B9R1.8 O=CCN1CCOCC1 1115AB [1,1,0,0,0,0|2,0,0]=4 105 B9R1.8 O=COC1CCCCC1 7767AF [1,1,0,0,0,0|0,0,0]=2 106 B9R1.8 OCCC1CCCNC1 1431AC [1,1,0,0,0,0|1,0,1]=4 107 B9R1.15 CN[C@@H]1CCCC[C@@H]1C 3957AJ [1,1,0,0,0,0|2,0,0]=4 108 B9R1.15 CN[C@@H]1CCCC[C@@H]1C 8374AH [1,1,0,0,0,0|2,0,0]=4 109 B9R1.15 OC[C@@H]1CCNC[C@@H]1O 0933AB [1,1,0,0,0,0|1,0,1]=4 110 B9R1.118 NCC1(N)CCCCC1 9516AH [1,1,0,0,0,0|1,0,1]=4 111 B9R1.11 COC(=O)C1=NCCC1 8402AB [0,1,0,0,1,0|1,0,1]=4 112 B9R1.11 COC(=O)C1CCNC1 W9847 [0,1,0,0,1,0|1,0,0]=3 113 B9R1.11 COC(=O)[C@H]1CCCN1 5950AB [0,1,0,0,1,0|1,0,0]=3 114 B9R1.35 CN1CCC(C(=O)O)C1 W6581 [0,1,0,0,1,0|1,0,0]=3 115 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 Z2011 [0,1,0,0,1,0|0,0,2]=4 116 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 4247AH [0,1,0,0,1,0|1,0,0]=3 117 B9R1.35 O=C1CN[C@H](C(=O)O)C1 6009AB [0,1,0,0,1,0|1,0,1]=4 118 B9R1.35 O=C1CN[C@H](C(=O)O)C1 8316AF [0,1,0,0,1,0|1,0,1]=4 119 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O 7397AJ [0,1,0,0,1,0|1,0,0]=3 120 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O 4857AB [0,1,0,0,1,0|0,0,0]=2 121 B9R1.41 O=C(O)C1CCCC1=O 4522AE [0,1,0,0,1,0|0,0,1]=3 122 B9R1.163 NC1(C(=O)O)CCCC1 Z5998 [0,1,0,0,1,0|0,0,0]=2 123 B11R1.20 NC1CCC(CC(=O)O)CC1 3013AB [0,1,0,0,0,1|0,0,0]=2 124 B11R1.36 C[C@H](C(=O)O)N1CCOCC1 8547AH [0,1,0,0,0,1|2,0,0]=4 125 B11R1.40 COC(=O)CN1CCNCC1 B164 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.86 CC(=O)OC1CCCCC1C P439 [0,1,0,0,0,1|1,0,0]=3 127 B11R1.3 CC(=O)N1CCC(CN)CC1 2139AC [0,2,0,0,0,0|2,0,0]=4 128 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 8425AH [0,2,0,0,0,0|0,0,0]=2 129 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 9191AH [0,2,0,0,0,0|2,0,0]=4 130 B11R1.16 CCOC(=O)C1CNCCN1 Y4613 [0,2,0,0,0,0|2,0,0]=4 131 B11R1.16 NCCC(=O)N1CCCCC1 5186AD [0,2,0,0,0,0|2,0,0]=4 132 B11R1.23 COC(=O)[C@@H]1CCC[C@@H](N)C1 8561AE [0,2,0,0,0,0|0,0,0]=2 133 B11R1.222 COC(=O)C1CCCCC1=O 5688AB [0,2,0,0,0,0|0,0,1]=3 134 B11R1.222 COC(=O)C1CCNCC1=O 9384AA [0,2,0,0,0,0|1,0,1]=4 135 B11R1.222 COC(=O)C1CNCCC1=O W6989 [0,2,0,0,0,0|1,0,1]=4 136 B11R1.222 COC(=O)C1CNCCC1C 2897AJ [0,2,0,0,0,0|1,0,0]=3 137 B11R1.222 COC(=O)C1CNCCC1C 4283AJ [0,2,0,0,0,0|1,0,0]=3 138 B11R1.222 COC(=O)[C@@H]1CCCN[C@H]1C 7386AH [0,2,0,0,0,0|1,0,0]=3 139 B11R1.53 O=NN1CCCCC1C(=O)O 6226AB [0,2,0,0,0,0|1,0,0]=3 140 B11R1.167 CN1CCN(C)C(C(=O)O)C1 Y7167 [0,2,0,0,0,0|2,0,0]=4 141 B11R1.177 CC1(C)CNCCC1C(=O)O 2068AJ [0,2,0,0,0,0|1,0,0]=3 142 B11R1.266 COC1CCNC(C(=O)O)C1 2867AJ [0,2,0,0,0,0|1,0,0]=3 143 B11R1.266 COC1CCNC(C(=O)O)C1 2868AJ [0,2,0,0,0,0|1,0,0]=3 144 B11R1.730 CC(=O)C1CCCC(C)(C)C1 V0592 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.13 O=C(Cl)CC1CCCC1 8929AC [0,0,1,1,0,0|1,0,0]=3 146 B9R1.13 O=C(O)CC1CCNC1 2247AF [0,0,1,1,0,0|1,0,0]=3 147 B9R1.50 S=C1CCCCCCN1 Z3084 [0,0,1,1,0,0|1,1,0]=4 148 B9R1.5 O=C1CCCCCC1Br 9448AE [0,0,1,1,0,0|2,0,0]=4 149 B9R2.123 BrC1C2CCCCC12 2139AA [1,0,0,1,0,0|1,0,1]=4 150 B9R2.123 CN1C2CCCCC21 B584 [1,0,0,1,0,0|2,0,0]=4 151 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](O)C2 4676AB [0,0,0,1,1,0|1,0,1]=4 152 B11R2.1852 O=C(O)C1C2CCCCC21 9914AD [0,0,0,1,0,1|0,0,0]=2 153 B11R2.1 O=C1OC[C@H]2CNCCN12 1095AD [0,1,0,1,0,0|2,0,0]=4 154 B7R1.1 Cl[Mg]C1CCCC1 Z3121 [1,0,0,0,1,0|2,0,0]=4 155 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,0,0,0,2,0|1,0,0]=3 156 B9R1.89 N#CC1CCCCCC1 3690AB [1,0,0,0,0,1|1,0,1]=4 157 B11R1.91 NC(=S)NCC1CCCCC1 3970AJ [0,0,0,0,0,2|1,1,0]=4 158 B11R1.742 O=C(O)CC1CCCCCC1 Y9120 [0,0,0,0,0,2|0,0,0]=2