0 B9R1.6 CC(=O)C1CCNCC1 SC-48315 [0,0,0,0,0,0|2,0,0]=2 1 B9R1.6 CC(=O)C1CCOCC1 SC-66039 [0,0,0,0,0,0|2,0,0]=2 2 B9R1.6 CC(=O)N1CCNCC1 SC-00989 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.6 CC(O)C1CCCCC1 SC-22092 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.6 CN(C)C1CCNCC1 SC-04881 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.6 CN(C)C1CCNCC1 SC-25499 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 N=C(N)N1CCOCC1 SC-21002 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 NC(=O)C1CCNCC1 SC-04160 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.6 NC(=S)N1CCOCC1 SC-54465 [0,0,0,0,0,0|3,1,0]=4 9 B9R1.6 O=C(Cl)C1CCCCC1 SC-22783 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.6 O=C(Cl)C1CCOCC1 SC-49140 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 O=C(O)C1=CCCNC1 SC-99979 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [0,0,0,0,0,0|0,0,2]=2 13 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [0,0,0,0,0,0|0,0,0]=0 14 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,0,0,0,0,0|1,0,0]=1 17 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.6 O=C(O)C1CCNCC1 SC-04843 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.6 O=C(O)C1CCOCC1 SC-05124 [0,0,0,0,0,0|1,0,0]=1 21 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.6 O=C(O)N1CCSCC1 SC-33160 [0,0,0,0,0,0|2,0,0]=2 29 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [0,0,0,0,0,0|0,0,2]=2 30 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-12480 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [0,0,0,0,0,0|0,0,2]=2 34 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-12519 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,0,0,0,0,0|2,0,0]=2 38 B9R1.6 OB(O)C1=CCCCC1 SC-25437 [0,0,0,0,0,0|1,0,3]=4 39 B9R1.6 OB(O)C1CCCCC1 SC-86762 [0,0,0,0,0,0|1,0,1]=2 40 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,0,0,0,0,0|1,0,0]=1 41 B8R1.2 BrCC1CCCCC1 SC-02918 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.2 BrCC1CCCCO1 SC-20895 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.2 BrCC1CCCOC1 SC-44714 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.2 BrCC1CCOCC1 SC-00660 [1,0,0,0,0,0|2,0,1]=4 45 B8R1.2 C#CC1CCOCC1 SC-96268 [1,0,0,0,0,0|2,0,1]=4 46 B8R1.2 CNC1CCCNC1 SC-00689 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 CNC1CCCNC1 SC-52816 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 CNC1CCCOC1 SC-35264 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 CNC1CCNCC1 SC-04666 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.2 COC1CCCNC1 SC-15522 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.2 COC1CCCNC1 SC-45634 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 COC1CCNCC1 SC-04308 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 ICC1CCOCC1 SC-28261 [1,0,0,0,0,0|2,0,1]=4 54 B8R1.2 N#CC1CCCCC1 SC-73272 [1,0,0,0,0,0|1,0,1]=3 55 B8R1.2 N#CC1CCCCN1 SC-21123 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 N#CC1CCNCC1 SC-04502 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 N#CC1CCOCC1 SC-49321 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.2 NCC1CCCCC1 SC-26900 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.2 NCC1CCCCN1 SC-46326 [1,0,0,0,0,0|2,0,1]=4 60 B8R1.2 NCC1CCCCO1 SC-27902 [1,0,0,0,0,0|2,0,1]=4 61 B8R1.2 NCC1CCCOC1 SC-35931 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.2 NCC1CCCOC1 SC-85451 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 NCC1CCNCC1 SC-06464 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.2 NCC1CCOCC1 SC-00740 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 NNC1CCCCC1 SC-12375 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.2 NNC1CCCCC1 SC-58187 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.2 NNC1CCOCC1 SC-12777 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.2 NNC1CCOCC1 SC-50560 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.2 O=CC1=COCCC1 SC-46524 [1,0,0,0,0,0|1,0,2]=4 70 B8R1.2 O=CC1CCCCC1 SC-02305 [1,0,0,0,0,0|0,0,0]=1 71 B8R1.2 O=CC1CCCCN1 SC-29120 [1,0,0,0,0,0|1,0,0]=2 72 B8R1.2 O=CC1CCCOC1 SC-45114 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.2 O=CC1CCNCC1 SC-21173 [1,0,0,0,0,0|1,0,0]=2 74 B8R1.2 O=CC1CCNCC1 SC-A3016 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.2 O=CC1CCOCC1 SC-04900 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.2 O=CC1CCSCC1 SC-96130 [1,0,0,0,0,0|1,0,0]=2 77 B8R1.2 O=CN1CCCCC1 SC-02942 [1,0,0,0,0,0|1,0,0]=2 78 B8R1.2 O=CN1CCNCC1 SC-46658 [1,0,0,0,0,0|2,0,0]=3 79 B8R1.2 OCC1CCCCC1 SC-00039 [1,0,0,0,0,0|0,0,1]=2 80 B8R1.2 OCC1CCCCO1 SC-00052 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.2 OCC1CCCNC1 SC-04704 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.2 OCC1CCNCC1 SC-06048 [1,0,0,0,0,0|1,0,1]=3 83 B8R1.2 OCC1CCOCC1 SC-01198 [1,0,0,0,0,0|1,0,1]=3 84 B8R1.2 OCC1CNCCO1 SC-66184 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.2 OCC1CNCCO1 SC-88687 [1,0,0,0,0,0|2,0,1]=4 86 B8R1.2 OCC1COCCN1 SC-25307 [1,0,0,0,0,0|2,0,1]=4 87 B8R1.2 OCC1COCCN1 SC-81449 [1,0,0,0,0,0|2,0,1]=4 88 B8R1.2 OCN1CCOCC1 SC-47895 [1,0,0,0,0,0|2,0,1]=4 89 B8R1.2 OC[C@@H]1CNCCN1 SC-72400 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.2 OC[C@@H]1CNCCO1 SC-29296 [1,0,0,0,0,0|2,0,1]=4 91 B8R1.2 OC[C@@H]1CNCCO1 SC-66035 [1,0,0,0,0,0|2,0,1]=4 92 B8R1.2 OC[C@@H]1COCCN1 SC-91809 [1,0,0,0,0,0|2,0,1]=4 93 B8R1.2 OC[C@H]1CCCCN1 SC-83108 [1,0,0,0,0,0|1,0,1]=3 94 B8R1.2 OC[C@H]1CNCCN1 SC-72401 [1,0,0,0,0,0|2,0,1]=4 95 B8R1.2 OC[C@H]1CNCCO1 SC-14658 [1,0,0,0,0,0|2,0,1]=4 96 B8R1.2 OC[C@H]1CNCCO1 SC-93221 [1,0,0,0,0,0|2,0,1]=4 97 B8R1.2 OC[C@H]1COCCO1 SC-A2546 [1,0,0,0,0,0|2,0,1]=4 98 B8R1.2 ONC1CCCCC1 SC-A3793 [1,0,0,0,0,0|1,0,0]=2 99 B10R1.13 CC(=O)N1CCC(=O)CC1 SC-18691 [0,1,0,0,0,0|2,0,1]=4 100 B10R1.13 CC(=O)N1CCC(N)CC1 SC-92386 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.13 CC(=O)N1CCC(O)CC1 SC-15455 [0,1,0,0,0,0|2,0,0]=3 102 B10R1.13 CN(C)C1CCC(N)CC1 SC-12790 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.13 CN(C)C1CCC(N)CC1 SC-A3364 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.13 CN(C)C1CCC(N)CC1 SC-A3365 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.13 CN(C)C1CCC(O)CC1 SC-00462 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 SC-82378 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 SC-82382 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 CN(C)[C@H]1CC[C@H](N)CC1 SC-90885 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.13 CN1CCC(C(=O)Cl)CC1 SC-91574 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.13 CN1CCC(C(=O)O)CC1 SC-77778 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.13 CN1CCN(C(=O)Cl)CC1 SC-77392 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 NC(=O)[C@H]1CC[C@H](O)CC1 SC-90108 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,1,0,0,0,0|0,0,0]=1 115 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,1,0,0,0,0|0,0,0]=1 116 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,1,0,0,0,0|0,0,0]=1 117 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,1,0,0,0,0|0,0,0]=1 118 B10R1.13 O=C([O-])[C@H]1CC[C@@H](O)CC1 SC-97857 [0,1,0,0,0,0|0,0,1]=2 119 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,1,0,0,0,0|1,0,1]=3 120 B10R1.15 COC(=O)C1=CCOCC1 SC-90752 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.15 COC(=O)C1CCCCO1 SC-21895 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.15 COC(=O)C1CCCNC1 SC-41605 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.15 COC(=O)C1CCCOC1 SC-B8813 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.15 COC(=O)C1CCNCC1 SC-03230 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.15 COC(=O)C1CCOCC1 SC-00335 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.15 COC(=O)C1CNCCO1 SC-48152 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.15 COC(=O)C1COCCN1 SC-25827 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.15 COC(=O)N1CCNCC1 SC-99346 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.15 COC(=O)[C@@H]1CCCCN1 SC-14576 [0,1,0,0,0,0|1,0,0]=2 130 B10R1.15 COC(=O)[C@@H]1CCCNC1 SC-22480 [0,1,0,0,0,0|1,0,0]=2 131 B10R1.15 O=C(CBr)C1CCCCC1 SC-14731 [0,1,0,0,0,0|1,0,0]=2 132 B10R1.15 O=C(CBr)C1CCOCC1 SC-35066 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.28 CS(=O)(=O)C1CCCNC1 SC-14824 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.28 CS(=O)(=O)C1CCNCC1 SC-29817 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.28 F[B-](F)(F)C1CCCCC1 SC-97784 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.28 O=S(=O)(Cl)C1CCCNC1 SC-47392 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.28 O=S(=O)(Cl)C1CCOCC1 SC-53088 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.61 CC1CCCCC1C(=O)O SC-13884 [0,1,0,0,0,0|0,0,0]=1 139 B10R1.61 CC1CCCNC1C(=O)O SC-14001 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.61 CN1CCCCC1C(=O)O SC-61396 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.61 CN1CCCCC1C(=O)O SC-93743 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.61 CN1CCCC[C@@H]1C(=O)O SC-53886 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.61 CN1CCCC[C@@H]1C(=O)[O-] SC-22475 [0,1,0,0,0,0|1,0,1]=3 144 B10R1.61 NC1CCCCC1C(=O)O SC-96032 [0,1,0,0,0,0|0,0,0]=1 145 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O SC-93716 [0,1,0,0,0,0|0,0,0]=1 146 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O SC-67617 [0,1,0,0,0,0|0,0,0]=1 147 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O SC-A3216 [0,1,0,0,0,0|0,0,0]=1 148 B10R1.113 CC(=O)N1CCC[C@H](O)C1 SC-88350 [0,1,0,0,0,0|2,0,0]=3 149 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,1,0,0,0,0|1,0,0]=2 150 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)[O-])C1 SC-15310 [0,1,0,0,0,0|1,0,1]=3 151 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,1,0,0,0,0|0,0,0]=1 152 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,1,0,0,0,0|0,0,0]=1 153 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,1,0,0,0,0|0,0,0]=1 154 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,1,0,0,0,0|0,0,0]=1 155 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,1,0,0,0,0|1,0,1]=3 156 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,1,0,0,0,0|0,0,1]=2 157 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,1,0,0,0,0|1,0,1]=3 158 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.363 CC(=O)C1(O)CCCCC1 SC-A3171 [0,1,0,0,0,0|1,0,0]=2 161 B10R1.363 CC1(C(=O)O)CCCNC1 SC-49450 [0,1,0,0,0,0|1,0,0]=2 162 B10R1.363 CC1(C(=O)O)CCOCC1 SC-83388 [0,1,0,0,0,0|1,0,0]=2 163 B10R1.363 NC1(C(=O)O)CCCOC1 SC-14945 [0,1,0,0,0,0|1,0,0]=2 164 B10R1.363 NC1(C(=O)O)CCOCC1 SC-17191 [0,1,0,0,0,0|1,0,0]=2 165 B10R1.363 O=C(O)C1(F)CCOCC1 SC-87740 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.363 O=C(O)C1(O)CCCCC1 SC-44396 [0,1,0,0,0,0|0,0,0]=1 167 B8R0.7 C#CCCCCC(=O)O SC-20440 [0,0,1,0,0,0|0,0,2]=3 168 B8R0.7 C#CCOCCC(=O)O SC-A2263 [0,0,1,0,0,0|1,0,2]=4 169 B8R0.7 CCCCCCB(O)O SC-97201 [0,0,1,0,0,0|1,0,1]=3 170 B8R0.7 CCCCCCC(C)O SC-47133 [0,0,1,0,0,0|1,0,1]=3 171 B8R0.7 CCCCOCC(=O)O SC-22619 [0,0,1,0,0,0|1,0,0]=2 172 B8R0.7 CCCCSCC(=N)N SC-38959 [0,0,1,0,0,0|3,0,0]=4 173 B8R0.7 COCCOCC(=O)O SC-89730 [0,0,1,0,0,0|2,0,0]=3 174 B8R0.7 NCCCCCC(=O)O SC-10067 [0,0,1,0,0,0|1,0,0]=2 175 B8R0.7 O=C(O)CCCCCBr SC-04420 [0,0,1,0,0,0|1,0,0]=2 176 B8R0.7 O=C(O)CCCCCO SC-17400 [0,0,1,0,0,0|1,0,0]=2 177 B8R0.7 O=C(O)CCOCCBr SC-A2260 [0,0,1,0,0,0|2,0,0]=3 178 B8R0.7 O=C([O-])CCCCCO SC-82416 [0,0,1,0,0,0|1,0,1]=3 179 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,0,1,0,0,0|1,0,2]=4 180 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,0,1,0,0,0|1,0,0]=2 181 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,0,1,0,0,0|1,0,0]=2 182 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,0,1,0,0,0|2,0,0]=3 184 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,0,1,0,0,0|2,0,0]=3 185 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,0,1,0,0,0|2,0,0]=3 186 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,0,1,0,0,0|2,0,0]=3 187 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,0,1,0,0,0|2,0,0]=3 188 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,0,1,0,0,0|0,0,0]=1 189 B10R2.62 O=C1CN2CCC1CC2 SC-17709 [0,0,0,1,0,0|2,0,0]=3 190 B10R2.62 O=C1NC2CCC1CC2 SC-32435 [0,0,0,1,0,0|1,0,0]=2 191 B10R2.62 OC1CC2CCC1CC2 SC-A3538 [0,0,0,1,0,0|1,0,1]=3 192 B10R2.62 O[C@H]1CN2CCC1CC2 SC-93908 [0,0,0,1,0,0|2,0,1]=4 193 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 SC-94863 [0,0,0,1,0,0|1,0,0]=2 194 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-86927 [0,0,0,1,0,0|2,0,0]=3 195 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-A2404 [0,0,0,1,0,0|2,0,0]=3 196 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,0,0,0,1,0|1,0,0]=2 197 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,0,0,0,1,0|2,0,0]=3 198 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,0,0,0,1,0|2,0,0]=3 199 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,0,0,0,1,0|2,0,0]=3 200 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,0,0,0,1,0|1,0,0]=2 201 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,0,0,0,1,0|2,0,0]=3 202 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,0,0,0,1,0|0,0,2]=3 203 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [0,0,0,0,1,0|0,0,2]=3 204 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,0,0,0,1,0|0,0,0]=1 205 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,0,0,0,1,0|1,0,0]=2 206 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,0,0,0,1,0|1,0,0]=2 207 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,0,0,0,1,0|1,0,0]=2 208 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,0,0,0,1,0|1,0,0]=2 209 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,0,0,0,1,0|1,0,0]=2 210 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,0,0,0,1,0|1,0,0]=2 211 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,0,0,0,1,0|2,0,0]=3 212 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,0,0,0,1,0|1,0,0]=2 213 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,0,0,0,1,0|1,0,0]=2 214 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,0,0,0,1,0|1,0,0]=2 215 B8R1.7 OB(O)C1CCCC1 SC-58324 [0,0,0,0,1,0|1,0,1]=3 216 B8R1.7 S=C([S-])N1CCCC1 SC-15169 [0,0,0,0,1,0|1,2,0]=4 217 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,0,0,0,1,0|1,0,0]=2 218 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,0,0,0,1,0|2,0,0]=3 219 B10R1.18 CC(=O)NC1CCNCC1 SC-05501 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.18 CC(N)CC1CCCCC1 SC-50574 [0,0,0,0,0,1|2,0,1]=4 221 B10R1.18 O=C(O)CC1CCCNC1 SC-28383 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.18 O=C(O)CC1CCNCC1 SC-25919 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.18 O=C(O)CC1CCNCC1 SC-95171 [0,0,0,0,0,1|1,0,0]=2 224 B10R1.18 O=C(O)CC1CCOCC1 SC-06974 [0,0,0,0,0,1|1,0,0]=2 225 B10R1.18 O=C(O)CC1CNCCO1 SC-91730 [0,0,0,0,0,1|2,0,0]=3 226 B10R1.18 O=C(O)CC1CNCCO1 SC-A4693 [0,0,0,0,0,1|2,0,0]=3 227 B10R1.18 O=C(O)CC1OCCCO1 SC-A2058 [0,0,0,0,0,1|2,0,0]=3 228 B10R1.18 O=C(O)CN1CCCCC1 SC-27156 [0,0,0,0,0,1|1,0,0]=2 229 B10R1.18 O=C(O)CN1CCOCC1 SC-03458 [0,0,0,0,0,1|2,0,0]=3 230 B10R1.18 O=C(O)CN1CCOCC1 SC-40894 [0,0,0,0,0,1|2,0,0]=3 231 B10R1.348 CC(=O)N1CCCNCC1 SC-66772 [0,0,0,0,0,1|2,0,0]=3 232 B10R1.348 O=C(O)C1CCCCCC1 SC-13836 [0,0,0,0,0,1|0,0,0]=1 233 B10R1.348 O=C(O)C1CCCCCN1 SC-13854 [0,0,0,0,0,1|0,0,0]=1 234 B7R0.1 C=CCCCCCBr SC-44229 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.1 COCCOCC=O SC-99722 [1,0,1,0,0,0|2,0,0]=4 236 B7R0.1 NCCCCCCO SC-47381 [1,0,1,0,0,0|1,0,1]=4 237 B7R0.1 O=CCCCCCO SC-94633 [1,0,1,0,0,0|1,0,0]=3 238 B7R0.1 OCCCCCCBr SC-23167 [1,0,1,0,0,0|1,0,1]=4 239 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,1,0,0,0|0,0,2]=4 240 B7R0.4 CCCC#CC(=O)O SC-96568 [1,0,1,0,0,0|0,0,2]=4 241 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,1,0,0,0|1,0,0]=3 242 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,1,0,0,0|1,0,0]=3 243 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,1,0,0,0|1,0,0]=3 244 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,1,0,0,0|1,0,0]=3 245 B7R0.4 COCCCC(=O)O SC-51378 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,1,0,0,0|0,0,2]=4 247 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,1,0,0,0|2,0,0]=4 248 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,1,0,0,0|1,0,0]=3 250 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,1,0,0,0|2,0,0]=4 251 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,1,0,0,0|2,0,0]=4 252 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,1,0,0,0|2,0,0]=4 253 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,1,0,0,0|2,0,0]=4 255 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.3 CCCCC(O)CO SC-74356 [1,0,1,0,0,0|1,0,1]=4 257 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,1,0,0,0|1,0,0]=3 258 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,1,0,0,0|2,0,0]=4 260 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,1,0,0,0|2,0,0]=4 261 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,1,0,0,0|2,0,0]=4 262 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,1,0,0,0|2,0,0]=4 263 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,1,0,0,0|2,0,0]=4 265 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,1,0,0,0|2,0,0]=4 266 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,1,0,0,0|2,0,0]=4 269 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,0,1,0,0,0|2,0,0]=4 270 B7R0.15 CCN(CC)C(=O)Cl SC-74686 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.15 O=C(O)C(CBr)CBr SC-16780 [1,0,1,0,0,0|2,0,0]=4 273 B7R0.15 O=C(O)C(CF)CF SC-41163 [1,0,1,0,0,0|2,0,0]=4 274 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,0,1,0,0,0|2,0,0]=4 275 B7R1.3 BrC1CCCOC1 SC-43426 [2,0,0,0,0,0|2,0,0]=4 276 B7R1.3 BrC1CCNCC1 SC-05213 [2,0,0,0,0,0|2,0,0]=4 277 B7R1.3 BrC1CCNCC1 SC-48705 [2,0,0,0,0,0|2,0,0]=4 278 B7R1.3 BrC1CCOCC1 SC-27394 [2,0,0,0,0,0|2,0,0]=4 279 B7R1.3 C=C1CCNCC1 SC-88353 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.3 CC1CCCCC1 SC-79075 [2,0,0,0,0,0|0,0,1]=3 281 B7R1.3 CC1CCCNC1 SC-46299 [2,0,0,0,0,0|1,0,1]=4 282 B7R1.3 CC1CCNCC1 SC-05890 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.3 C[C@H]1CCCNC1 SC-99949 [2,0,0,0,0,0|1,0,1]=4 284 B7R1.3 ClC1CCCCO1 SC-85266 [2,0,0,0,0,0|2,0,0]=4 285 B7R1.3 FC1CCCCC1 SC-09547 [2,0,0,0,0,0|1,0,0]=3 286 B7R1.3 FC1CCCNC1 SC-21265 [2,0,0,0,0,0|2,0,0]=4 287 B7R1.3 IC1CCOCC1 SC-98886 [2,0,0,0,0,0|2,0,0]=4 288 B7R1.3 NC1CCCNC1 SC-54118 [2,0,0,0,0,0|2,0,0]=4 289 B7R1.3 NC1CCCNC1 SC-77469 [2,0,0,0,0,0|2,0,0]=4 290 B7R1.3 NC1CCCOC1 SC-35742 [2,0,0,0,0,0|2,0,0]=4 291 B7R1.3 NC1CCCOC1 SC-49332 [2,0,0,0,0,0|2,0,0]=4 292 B7R1.3 NC1CCNCC1 SC-00743 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.3 NC1CCNCC1 SC-03792 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.3 NC1CCOCC1 SC-03529 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.3 NC1CCOCC1 SC-04006 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.3 NC1CCSCC1 SC-35455 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.3 NC1CCSCC1 SC-49681 [2,0,0,0,0,0|2,0,0]=4 298 B7R1.3 NN1CCCCC1 SC-18780 [2,0,0,0,0,0|2,0,0]=4 299 B7R1.3 N[C@@H]1CCCNC1 SC-03568 [2,0,0,0,0,0|2,0,0]=4 300 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [2,0,0,0,0,0|2,0,0]=4 301 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.3 N[C@H]1CCCNC1 SC-25042 [2,0,0,0,0,0|2,0,0]=4 303 B7R1.3 N[C@H]1CCCOC1 SC-94110 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.3 O=C1CCCCN1 SC-16274 [2,0,0,0,0,0|1,0,1]=4 305 B7R1.3 O=C1CCCCO1 SC-65111 [2,0,0,0,0,0|1,0,1]=4 306 B7R1.3 O=C1CCCNC1 SC-29391 [2,0,0,0,0,0|1,0,1]=4 307 B7R1.3 O=C1CCCNC1 SC-48015 [2,0,0,0,0,0|1,0,1]=4 308 B7R1.3 O=C1CCCOC1 SC-14944 [2,0,0,0,0,0|1,0,1]=4 309 B7R1.3 O=C1CCNCC1 SC-04236 [2,0,0,0,0,0|1,0,1]=4 310 B7R1.3 O=C1CCNCC1 SC-04379 [2,0,0,0,0,0|1,0,1]=4 311 B7R1.3 O=C1CCNCC1 SC-19352 [2,0,0,0,0,0|1,0,1]=4 312 B7R1.3 O=C1CCOCC1 SC-03251 [2,0,0,0,0,0|1,0,1]=4 313 B7R1.3 O=C1CCSCC1 SC-19697 [2,0,0,0,0,0|1,0,1]=4 314 B7R1.3 OC1CC=CCC1 SC-87372 [2,0,0,0,0,0|0,0,2]=4 315 B7R1.3 OC1CCCCO1 SC-84303 [2,0,0,0,0,0|1,0,0]=3 316 B7R1.3 OC1CCCNC1 SC-06262 [2,0,0,0,0,0|1,0,0]=3 317 B7R1.3 OC1CCCNC1 SC-47771 [2,0,0,0,0,0|1,0,0]=3 318 B7R1.3 OC1CCCOC1 SC-19794 [2,0,0,0,0,0|1,0,0]=3 319 B7R1.3 OC1CCCOC1 SC-35801 [2,0,0,0,0,0|1,0,0]=3 320 B7R1.3 OC1CCNCC1 SC-05165 [2,0,0,0,0,0|1,0,0]=3 321 B7R1.3 OC1CCOCC1 SC-02372 [2,0,0,0,0,0|1,0,0]=3 322 B7R1.3 OC1CCSCC1 SC-35917 [2,0,0,0,0,0|1,0,0]=3 323 B7R1.3 ON1CCCCC1 SC-13334 [2,0,0,0,0,0|1,0,0]=3 324 B7R1.3 O[C@@H]1CCCNC1 SC-12564 [2,0,0,0,0,0|1,0,0]=3 325 B7R1.3 O[C@H]1CCCNC1 SC-19802 [2,0,0,0,0,0|1,0,0]=3 326 B7R1.3 SC1CCOCC1 SC-47759 [2,0,0,0,0,0|1,1,0]=4 327 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,1,0,0,0|1,0,1]=4 328 B9R0.2 CCCCCCCC(=O)O SC-27437 [0,1,1,0,0,0|0,0,0]=2 329 B9R0.2 CCCCCCOC(=O)Cl SC-53671 [0,1,1,0,0,0|1,0,0]=3 330 B9R0.2 NCCCCCCC(=O)O SC-10087 [0,1,1,0,0,0|0,0,0]=2 331 B9R0.38 CCCCCCS(=O)(=O)[O-] SC-45417 [0,1,1,0,0,0|1,0,1]=4 332 B9R0.46 CCCCCCC(O)CO SC-79225 [0,1,1,0,0,0|0,0,2]=4 333 B9R0.46 COC(=O)CCCCC=O SC-92554 [0,1,1,0,0,0|1,0,1]=4 334 B9R0.46 COC(=O)CCCCCBr SC-02787 [0,1,1,0,0,0|1,0,0]=3 335 B9R0.46 COC(=O)CCCCCN SC-B3833 [0,1,1,0,0,0|1,0,0]=3 336 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,1,1,0,0,0|0,0,0]=2 337 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,1,1,0,0,0|0,0,0]=2 338 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,1,1,0,0,0|0,0,0]=2 339 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,1,1,0,0,0|1,0,0]=3 340 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,1,1,0,0,0|1,0,0]=3 341 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,1,1,0,0,0|1,0,0]=3 342 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,1,1,0,0,0|1,0,0]=3 343 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,1,1,0,0,0|1,0,0]=3 344 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,1,1,0,0,0|1,0,0]=3 345 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,1,1,0,0,0|1,0,0]=3 346 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,1,1,0,0,0|1,0,1]=4 347 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,1,1,0,0,0|1,0,1]=4 348 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,1,0,0,0|1,0,0]=3 349 B9R0.8 COC(=O)C(Br)CCCBr SC-A2626 [0,1,1,0,0,0|2,0,0]=4 350 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,1,1,0,0,0|2,0,0]=4 351 B9R0.13 CCCCC(CC)C(=O)[O-] SC-15914 [0,1,1,0,0,0|0,0,1]=3 352 B9R0.13 CCCCC(CC)C(=O)[O-] SC-21305 [0,1,1,0,0,0|0,0,1]=3 353 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [0,1,1,0,0,0|0,0,2]=4 355 B9R0.15 CCCC(CCC)C(=O)O SC-23854 [0,1,1,0,0,0|0,0,0]=2 356 B9R0.15 CCCC(CCC)C(=O)[O-] SC-47192 [0,1,1,0,0,0|0,0,1]=3 357 B9R0.33 CCCC(C(=O)O)C(=O)O SC-A3932 [0,1,1,0,0,0|1,0,1]=4 358 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,1,1,0,0,0|1,0,0]=3 359 B9R1.1 CC1CCC(CO)CN1 SC-A2864 [1,1,0,0,0,0|1,0,1]=4 360 B9R1.1 CNC1CCC(O)CC1 SC-84448 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.1 COC1CCC(N)CC1 SC-47584 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.1 COC1CCC(N)CC1 SC-47593 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.1 COC1CCC(N)CC1 SC-96500 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.1 COC1CCC(N)CC1 SC-98601 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.1 COC1CCC(O)CC1 SC-52814 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 SC-88965 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.1 NC1CCC(CO)CC1 SC-47767 [1,1,0,0,0,0|0,0,1]=3 368 B9R1.1 NC1CCC(CO)CC1 SC-47772 [1,1,0,0,0,0|0,0,1]=3 369 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 SC-B7291 [1,1,0,0,0,0|1,0,1]=4 370 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [1,1,0,0,0,0|0,0,2]=4 371 B9R1.8 COCC1CCCCN1 SC-48480 [1,1,0,0,0,0|1,0,1]=4 372 B9R1.8 COCC1CCNCC1 SC-B8194 [1,1,0,0,0,0|1,0,1]=4 373 B9R1.8 N#CCC1CCCCC1 SC-72238 [1,1,0,0,0,0|1,0,1]=4 374 B9R1.8 NNCC1CCCCC1 SC-58983 [1,1,0,0,0,0|1,0,1]=4 375 B9R1.8 O=CCC1CCCCC1 SC-12759 [1,1,0,0,0,0|0,0,0]=2 376 B9R1.8 O=CCC1CCOCC1 SC-88269 [1,1,0,0,0,0|1,0,0]=3 377 B9R1.8 O=CCN1CCOCC1 SC-12451 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.8 OCCC1CCCCN1 SC-01221 [1,1,0,0,0,0|1,0,1]=4 379 B9R1.8 OCCC1CCNCC1 SC-05824 [1,1,0,0,0,0|1,0,1]=4 380 B9R1.8 OCCC1CCNCC1 SC-A3238 [1,1,0,0,0,0|1,0,1]=4 381 B9R1.8 [NH3+]NCC1CCCCC1 SC-41857 [1,1,0,0,0,0|1,0,1]=4 382 B9R1.15 C[C@H]1CCCN[C@@H]1CO SC-91585 [1,1,0,0,0,0|1,0,1]=4 383 B9R1.118 C#CC1(O)CCCCC1 SC-26687 [1,1,0,0,0,0|1,0,1]=4 384 B9R1.118 CC1(CO)CCCCC1 SC-94042 [1,1,0,0,0,0|0,0,1]=3 385 B9R1.118 NC1(CO)CCOCC1 SC-92851 [1,1,0,0,0,0|1,0,1]=4 386 B9R1.118 NCC1(O)CCCCC1 SC-39594 [1,1,0,0,0,0|1,0,1]=4 387 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [0,1,0,0,1,0|0,0,2]=4 388 B9R1.11 COC(=O)C1CC=CC1 SC-19292 [0,1,0,0,1,0|0,0,2]=4 389 B9R1.11 COC(=O)C1CCCC1 SC-58226 [0,1,0,0,1,0|0,0,0]=2 390 B9R1.11 COC(=O)C1CCCN1 SC-01646 [0,1,0,0,1,0|1,0,0]=3 391 B9R1.11 COC(=O)C1CCCN1 SC-12256 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.11 COC(=O)C1CCOC1 SC-99459 [0,1,0,0,1,0|1,0,0]=3 393 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [0,1,0,0,1,0|1,0,0]=3 394 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [0,1,0,0,1,0|1,0,0]=3 395 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [0,1,0,0,1,0|1,0,0]=3 396 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [0,1,0,0,1,0|1,0,0]=3 397 B9R1.11 O=C(CBr)C1CCCC1 SC-14732 [0,1,0,0,1,0|1,0,0]=3 398 B9R1.11 O=C(CCl)N1CCCC1 SC-71359 [0,1,0,0,1,0|2,0,0]=4 399 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,1,0,0,1,0|2,0,0]=4 400 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,1,0,0,1,0|1,0,0]=3 401 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,1,0,0,1,0|1,0,0]=3 402 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,1,0,0,1,0|0,0,0]=2 403 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,1,0,0,1,0|1,0,0]=3 404 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,1,0,0,1,0|0,0,0]=2 405 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,1,0,0,1,0|0,0,0]=2 406 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,1,0,0,1,0|0,0,0]=2 407 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,1,0,0,1,0|0,0,0]=2 408 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,1,0,0,1,0|0,0,2]=4 409 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,1,0,0,1,0|0,0,0]=2 410 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,1,0,0,1,0|0,0,0]=2 411 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,1,0,0,1,0|1,0,0]=3 412 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,1,0,0,1,0|1,0,0]=3 413 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,1,0,0,1,0|1,0,0]=3 414 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,1,0,0,1,0|0,0,0]=2 415 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,1,0,0,1,0|1,0,0]=3 416 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,1,0,0,1,0|1,0,0]=3 417 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,1,0,0,1,0|1,0,0]=3 418 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,1,0,0,1,0|0,0,1]=3 419 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,1,0,0,1,0|1,0,1]=4 420 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,1,0,0,1,0|1,0,1]=4 421 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,1,0,0,1,0|1,0,1]=4 422 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,1,0,0,1,0|1,0,1]=4 423 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,1,0,0,1,0|1,0,1]=4 424 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,1,0,0,1,0|1,0,1]=4 425 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,1,0,0,1,0|1,0,1]=4 426 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,1,0,0,1,0|1,0,1]=4 427 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,1,0,0,1,0|1,0,0]=3 428 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,1,0,0,1,0|0,0,0]=2 429 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [0,1,0,0,1,0|0,0,0]=2 430 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [0,1,0,0,1,0|1,0,0]=3 431 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [0,1,0,0,1,0|1,0,0]=3 432 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [0,1,0,0,1,0|0,0,2]=4 433 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [0,1,0,0,1,0|0,0,0]=2 434 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [0,1,0,0,1,0|1,0,0]=3 435 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [0,1,0,0,1,0|0,0,0]=2 436 B11R1.20 CC(=O)NC1CCC(=O)CC1 SC-25634 [0,1,0,0,0,1|1,0,1]=4 437 B11R1.20 CC(=O)NC1CCC(O)CC1 SC-93564 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.20 CC(=O)N[C@H]1CC[C@H](N)CC1 SC-89271 [0,1,0,0,0,1|1,0,0]=3 439 B11R1.20 CN1CCC(CC(=O)[O-])CC1 SC-02565 [0,1,0,0,0,1|1,0,1]=4 440 B11R1.20 O=C(O)CC1CCC(=O)CC1 SC-52908 [0,1,0,0,0,1|0,0,1]=3 441 B11R1.20 O=C(O)CC1CCC(O)CC1 SC-49645 [0,1,0,0,0,1|0,0,0]=2 442 B11R1.36 NC(C(=O)O)C1CCOCC1 SC-48066 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.36 N[C@H](C(=O)O)C1CCCCC1 SC-19465 [0,1,0,0,0,1|0,0,0]=2 444 B11R1.36 N[C@H](C(=O)O)C1CCOCC1 SC-51554 [0,1,0,0,0,1|1,0,0]=3 445 B11R1.36 [C@H](N)(C(=O)O)C1CCCCC1 SC-11100 [0,1,0,0,0,1|0,0,0]=2 446 B11R1.40 COC(=O)CC1CCNCC1 SC-23308 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.40 O=C(CCl)NC1CCCCC1 SC-48729 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.157 O=C(O)CN1CCCC(=O)C1 SC-45489 [0,1,0,0,0,1|1,0,1]=4 449 B11R1.928 NC(=O)CC1(N)CCCCC1 SC-A4736 [0,1,0,0,0,1|1,0,0]=3 450 B11R1.852 O=C(CBr)C1CCCCCC1 SC-35498 [0,1,0,0,0,1|1,0,0]=3 451 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 SC-68770 [0,2,0,0,0,0|0,0,0]=2 452 B11R1.3 N#CC1CCC(C(=O)O)CC1 SC-90112 [0,2,0,0,0,0|0,0,0]=2 453 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 SC-19036 [0,2,0,0,0,0|0,0,0]=2 454 B11R1.19 CC(C)(O)[C@H]1CC[C@H](N)CC1 SC-98268 [0,2,0,0,0,0|1,0,1]=4 455 B11R1.22 CCC(=O)N1CCC(N)CC1 SC-48370 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.22 COC(=O)C1CCC(=O)CC1 SC-24169 [0,2,0,0,0,0|0,0,1]=3 457 B11R1.22 COC(=O)C1CCC(=O)NC1 SC-97458 [0,2,0,0,0,0|1,0,1]=4 458 B11R1.22 COC(=O)C1CCC(N)CC1 SC-36281 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.22 COC(=O)C1CCC(O)CC1 SC-26196 [0,2,0,0,0,0|0,0,0]=2 460 B11R1.22 COC(=O)C1CCN(C)CC1 SC-22997 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-65244 [0,2,0,0,0,0|0,0,0]=2 462 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 SC-66137 [0,2,0,0,0,0|0,0,0]=2 463 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 SC-93954 [0,2,0,0,0,0|0,0,0]=2 464 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 SC-47777 [0,2,0,0,0,0|0,0,1]=3 465 B11R1.727 CC1(C)OCC(C(=O)O)CO1 SC-14579 [0,2,0,0,0,0|2,0,0]=4 466 B11R1.727 O=C(O)C1CCC(F)(F)CC1 SC-19912 [0,2,0,0,0,0|0,0,0]=2 467 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 SC-B8314 [0,2,0,0,0,0|1,0,0]=3 468 B11R1.16 CCOC(=O)C1CCCNC1 SC-04858 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.16 CCOC(=O)C1CCNCC1 SC-00395 [0,2,0,0,0,0|1,0,0]=3 470 B11R1.16 CCOC(=O)C1CCOCC1 SC-27183 [0,2,0,0,0,0|1,0,0]=3 471 B11R1.16 CCOC(=O)C1CNCCO1 SC-24644 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.16 CCOC(=O)C1CNCCO1 SC-48153 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.16 CCOC(=O)C1COCCN1 SC-48154 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 SC-22440 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.16 CCOC(=O)[C@@H]1CCCCN1 SC-A2716 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.16 CCOC(=O)[C@@H]1CSCCN1 SC-A2837 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.23 COC(=O)C1CCCC(=O)C1 SC-29708 [0,2,0,0,0,0|0,0,1]=3 478 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-49227 [0,2,0,0,0,0|1,0,1]=4 479 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-70288 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.23 COC(=O)C1CCCN(C)C1 SC-23188 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.23 COC(=O)C1CN(C)CCN1 SC-28943 [0,2,0,0,0,0|2,0,0]=4 482 B11R1.23 COC(=O)C1CNCC(C)C1 SC-99538 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.222 COC(=O)C1CCCCC1=O SC-49446 [0,2,0,0,0,0|0,0,1]=3 484 B11R1.222 COC(=O)C1CNCCC1=O SC-26866 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.222 COC(=O)C1CNCCC1C SC-99472 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.222 COC(=O)C1COCCC1=O SC-73880 [0,2,0,0,0,0|1,0,1]=4 487 B11R1.222 COC(=O)[C@@H]1COCC[C@@H]1N SC-90899 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.878 COC(=O)C1(C)CCNCC1 SC-82302 [0,2,0,0,0,0|1,0,0]=3 489 B11R1.878 COC(=O)C1(O)CCNCC1 SC-49608 [0,2,0,0,0,0|1,0,0]=3 490 B11R1.53 CCN1CCCC[C@@H]1C(=O)[O-] SC-22825 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.266 CCN1CCCC(C(=O)[O-])C1 SC-01849 [0,2,0,0,0,0|1,0,1]=4 492 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [0,0,1,1,0,0|1,0,0]=3 493 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [0,0,1,1,0,0|1,0,0]=3 494 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [0,0,1,1,0,0|1,0,0]=3 495 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [0,0,1,1,0,0|1,0,0]=3 496 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [0,0,1,1,0,0|1,0,0]=3 497 B9R1.48 O=C1CCCCC(=O)O1 SC-92931 [0,0,1,1,0,0|1,0,1]=4 498 B9R1.50 O=C1CCCCCCC1 SC-19957 [0,0,1,1,0,0|1,0,0]=3 499 B9R1.50 O=C1CCCCCCN1 SC-84294 [0,0,1,1,0,0|1,0,0]=3 500 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,0,1,1,0,0|0,0,0]=2 501 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,0,1,1,0,0|1,0,0]=3 502 B9R1.84 O=[N+]([O-])CCC1CCC1 SC-50111 [0,0,1,1,0,0|1,0,1]=4 503 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,0,1,1,0,0|1,0,0]=3 504 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,0,1,1,0,0|1,0,0]=3 505 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,0,1,1,0,0|1,0,0]=3 506 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,1,1,0,0|1,0,0]=3 507 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,1,1,0|1,0,0]=3 508 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,1,1,0|1,0,0]=3 509 B11R2.64 O=C1CCN2CCC1CC2 SC-89436 [0,1,0,1,0,0|2,0,0]=4 510 B11R2.845 O=C(O)C1CC2C=CC1C2 SC-25238 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.1 BrCC1CCCC1 SC-04017 [1,0,0,0,1,0|1,0,1]=4 512 B7R1.1 C#CC1CCCC1 SC-82441 [1,0,0,0,1,0|1,0,1]=4 513 B7R1.1 CNC1CCCC1 SC-52894 [1,0,0,0,1,0|2,0,0]=4 514 B7R1.1 CNC1CCCC1 SC-A3381 [1,0,0,0,1,0|2,0,0]=4 515 B7R1.1 N#CC1CCCC1 SC-84423 [1,0,0,0,1,0|1,0,1]=4 516 B7R1.1 NCC1CCCC1 SC-22285 [1,0,0,0,1,0|1,0,1]=4 517 B7R1.1 NCC1CCCC1 SC-25234 [1,0,0,0,1,0|1,0,1]=4 518 B7R1.1 NNC1CCCC1 SC-12771 [1,0,0,0,1,0|2,0,0]=4 519 B7R1.1 NNC1CCCC1 SC-62645 [1,0,0,0,1,0|2,0,0]=4 520 B7R1.1 O=CC1CCCC1 SC-21778 [1,0,0,0,1,0|0,0,0]=2 521 B7R1.1 O=CC1CCCC1 SC-44728 [1,0,0,0,1,0|0,0,0]=2 522 B7R1.1 O=CC1CCNC1 SC-85271 [1,0,0,0,1,0|1,0,0]=3 523 B7R1.1 OCC1CCCC1 SC-03842 [1,0,0,0,1,0|0,0,1]=3 524 B7R1.1 OCC1CCCN1 SC-12006 [1,0,0,0,1,0|1,0,1]=4 525 B7R1.1 OCC1CCCO1 SC-94849 [1,0,0,0,1,0|1,0,1]=4 526 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,0,1,0|1,0,1]=4 527 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [1,0,0,0,1,0|1,0,1]=4 528 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [1,0,0,0,1,0|1,0,1]=4 529 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [1,0,0,0,1,0|1,0,1]=4 530 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [1,0,0,0,1,0|1,0,1]=4 531 B7R1.1 OC[C@H]1CCCN1 SC-06270 [1,0,0,0,1,0|1,0,1]=4 532 B7R1.18 CC(=O)C1CCC1 SC-74316 [0,0,0,0,2,0|1,0,0]=3 533 B7R1.18 CC(O)C1CCC1 SC-22088 [0,0,0,0,2,0|1,0,1]=4 534 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [0,0,0,0,2,0|2,0,0]=4 535 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [0,0,0,0,2,0|1,0,0]=3 536 B7R1.18 O=C(O)C1CCC1 SC-17776 [0,0,0,0,2,0|0,0,0]=2 537 B7R1.18 O=C(O)C1CCO1 SC-22549 [0,0,0,0,2,0|1,0,0]=3 538 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [0,0,0,0,2,0|1,0,0]=3 539 B7R1.18 OB(O)C1CCC1 SC-21363 [0,0,0,0,2,0|1,0,1]=4 540 B11R1.91 O=C(O)CCC1CCNCC1 SC-25243 [0,0,0,0,0,2|1,0,0]=3 541 B11R1.91 O=C(O)CCN1CCOCC1 SC-A3717 [0,0,0,0,0,2|2,0,0]=4