0 B9R1.41 CN1CCC[C@@H]1C(=O)O SPC-m779 [0,0,0,1,0,0|2,0,0]=3 1 B9R1.41 CN1CCC[C@H]1C(=O)O SPC-h222 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-h688 [0,0,0,1,0,0|1,0,0]=2 3 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-j849 [0,0,0,1,0,0|1,0,0]=2 4 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-k415 [0,0,0,1,0,0|1,0,0]=2 5 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O SPC-u455 [0,0,0,1,0,0|1,0,0]=2 6 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O SPC-k017 [0,0,0,1,0,0|1,0,0]=2 7 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O SPC-k959 [0,0,0,1,0,0|1,0,0]=2 8 B9R1.96 CCC1CN[C@@H]1C(=O)O SPC-p137 [0,0,0,1,0,0|0,0,0]=1 9 B9R1.96 CCN1CC[C@H]1C(=O)O SPC-p134 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.96 N#CC1CCC1C(=O)O SPC-p215 [0,0,0,1,0,0|2,0,1]=4 11 B9R1.110 N[C@@H](C(=O)O)C1CCC1 SPC-j771 [0,0,0,1,0,0|0,0,0]=1 12 B9R1.110 N[C@@H](C(=O)O)C1COC1 SPC-i747 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h873 [0,0,0,1,0,0|0,0,0]=1 14 B9R1.110 N[C@H](C(=O)O)C1CCC1 SPC-h964 [0,0,0,1,0,0|0,0,0]=1 15 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i177 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.110 N[C@H](C(=O)O)C1COC1 SPC-i947 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.111 CC1([C@H](N)C(=O)O)CC1 SPC-p158 [0,0,0,1,0,0|0,0,0]=1 18 B6R0.2 CC(C)CB(O)O SPC-r379 [2,0,0,0,0,0|1,0,1]=4 19 B6R0.4 CC\C=C\C(=O)O SPC-t510 [2,0,0,0,0,0|0,0,2]=4 20 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [2,0,0,0,0,0|1,0,0]=3 21 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [2,0,0,0,0,0|1,0,0]=3 22 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [2,0,0,0,0,0|2,0,0]=4 23 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [2,0,0,0,0,0|2,0,0]=4 24 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [2,0,0,0,0,0|2,0,0]=4 25 B8R0.27 N[C@H](C(=O)O)C(F)(F)F SPC-u497 [1,1,0,0,0,0|2,0,0]=4 26 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m273 [1,0,0,1,0,0|2,0,0]=4 27 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-m274 [1,0,0,1,0,0|2,0,0]=4 28 B8R1.1 NC[C@@H]1CNC(=O)C1 SPC-p435 [1,0,0,1,0,0|2,0,0]=4 29 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m271 [1,0,0,1,0,0|2,0,0]=4 30 B8R1.1 NC[C@H]1CNC(=O)C1 SPC-m272 [1,0,0,1,0,0|2,0,0]=4 31 B8R1.1 NC[C@H]1COC(=O)N1 SPC-p433 [1,0,0,1,0,0|2,0,0]=4 32 B8R1.4 C[C@@H]1CC(=O)CCN1 SPC-j888 [1,0,0,1,0,0|2,0,0]=4 33 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-j895 [1,0,0,1,0,0|2,0,0]=4 34 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-m537 [1,0,0,1,0,0|2,0,0]=4 35 B8R1.4 C[C@H]1CC(=O)CCN1 SPC-n719 [1,0,0,1,0,0|2,0,0]=4 36 B8R1.4 C[C@H]1CC(=O)CCO1 SPC-k855 [1,0,0,1,0,0|2,0,0]=4 37 B8R1.4 C[C@H]1CCNC(=O)C1 SPC-p144 [1,0,0,1,0,0|1,0,0]=3 38 B8R1.4 N[C@H]1CCNC(=O)C1 SPC-j029 [1,0,0,1,0,0|2,0,0]=4 39 B8R1.4 O=C1CCC[C@H](O)C1 SPC-p385 [1,0,0,1,0,0|2,0,0]=4 40 B8R1.31 CC1NCC1C(=O)O SPC-i198 [1,0,0,1,0,0|1,0,0]=3 41 B8R1.31 CC1NCC1C(=O)O SPC-i198 [1,0,0,1,0,0|1,0,0]=3 42 B8R1.31 CN1CC[C@@H]1C(=O)O SPC-i181 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.31 CN1CC[C@H]1C(=O)O SPC-p175 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O SPC-p138 [1,0,0,1,0,0|1,0,0]=3 45 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O SPC-v548 [1,0,0,1,0,0|1,0,0]=3 46 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O SPC-i928 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.31 N[C@H]1CC[C@H]1C(=O)O SPC-i929 [1,0,0,1,0,0|1,0,0]=3 48 B8R1.34 O=C(O)C=C1CCC1 SPC-h901 [1,0,0,1,0,0|0,0,2]=4 49 B8R1.34 O=C(O)CC1CCC1 SPC-a096 [1,0,0,1,0,0|0,0,0]=2 50 B8R1.34 O=C(O)CC1CNC1 SPC-h769 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.34 O=C(O)CC1COC1 SPC-a018 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.43 N#CC1CC1C(=O)O SPC-t815 [1,0,0,1,0,0|1,0,1]=4 53 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O SPC-q468 [1,0,0,1,0,0|1,0,1]=4 54 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O SPC-k256 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.43 NCC1CC1C(=O)O SPC-v399 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.62 CC1(CO)CC(=O)C1 SPC-i173 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [1,0,0,1,0,0|1,0,0]=3 59 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [1,0,0,1,0,0|1,0,0]=3 60 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [1,0,0,1,0,0|1,0,0]=3 72 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [1,0,0,1,0,0|1,0,1]=4 85 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [1,0,0,1,0,0|1,0,0]=3 86 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|2,0,0]=4 89 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [1,0,0,1,0,0|0,0,0]=2 91 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [1,0,0,1,0,0|0,0,0]=2 92 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [1,0,0,1,0,0|1,0,0]=3 93 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [1,0,0,1,0,0|1,0,0]=3 94 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [1,0,0,1,0,0|1,0,0]=3 95 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [1,0,0,1,0,0|1,0,0]=3 97 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [1,0,0,1,0,0|2,0,0]=4 99 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C SPC-n725 [0,0,0,1,0,1|2,0,0]=4 100 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C SPC-u232 [0,0,0,1,0,1|2,0,0]=4 101 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 SPC-m806 [0,0,0,1,0,1|2,0,0]=4 102 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-g864 [0,0,0,1,0,1|2,0,0]=4 103 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-m811 [0,0,0,1,0,1|2,0,0]=4 104 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SPC-g914 [0,0,0,1,0,1|2,0,0]=4 105 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 SPC-t571 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 SPC-v191 [0,0,0,1,0,1|2,0,0]=4 107 B10R1.204 N[C@@H](CC1COC1)C(=O)O SPC-f120 [0,0,0,1,0,1|1,0,0]=3 108 B10R1.490 NC1(C(=O)O)CC(CO)C1 SPC-n967 [0,0,0,1,0,1|1,0,0]=3 109 B10R1.23 O=C(O)[C@@H](Br)C1CCCC1 SPC-k333 [0,1,0,1,0,0|1,0,0]=3 110 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n722 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n723 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.86 CCCN1CC[C@H]1C(=O)O SPC-p135 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.86 O=C(O)[C@@H]1CCN1CCF SPC-u210 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.495 CC1([C@H](N)C(=O)O)COC1 SPC-i435 [0,1,0,1,0,0|0,0,0]=2 115 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O SPC-j829 [0,1,0,1,0,0|1,0,0]=3 116 B10R1.149 COC(=O)[C@@H]1NCC[C@H]1O SPC-k055 [0,1,0,1,0,0|1,0,0]=3 117 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C SPC-r293 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.149 COC(=O)[C@H]1NCC[C@@H]1O SPC-m240 [0,1,0,1,0,0|1,0,0]=3 119 B10R1.354 CC(N)(C(=O)O)C1COC1 SPC-i952 [0,1,0,1,0,0|1,0,0]=3 120 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O SPC-s042 [0,1,0,1,0,0|0,0,0]=2 121 B10R1.128 CC1(C)CCN[C@@H]1C(=O)O SPC-s262 [0,1,0,1,0,0|0,0,0]=2 122 B10R1.128 CC1(C)CNC[C@@H]1C(=O)O SPC-p454 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.361 CC(C)N1CC[C@H]1C(=O)O SPC-i627 [0,1,0,1,0,0|2,0,0]=4 124 B10R2.32 O=C1NC[C@@H]2CCN[C@H]12 SPC-p956 [0,0,0,2,0,0|1,0,0]=3 125 B10R2.344 O=C(O)C12CNCC1C2 SPC-p325 [0,0,0,2,0,0|2,0,0]=4 126 B10R2.344 O=C(O)[C@@]12CC1CCN2 SPC-v639 [0,0,0,2,0,0|0,0,0]=2 127 B10R2.355 O=C(O)C1NCC2CC21 SPC-n039 [0,0,0,2,0,0|0,0,0]=2 128 B10R2.638 O=C(O)[C@H]1CC12CCC2 SPC-q251 [0,0,0,2,0,0|1,0,0]=3