0 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SPC-u852 [0,1,0,0,0,0|0,0,0]=1 1 B9R1.35 CN1CC[C@@H](C(=O)O)C1 SPC-v096 [0,0,0,1,0,0|2,0,0]=3 2 B9R1.35 CN1CC[C@H](C(=O)O)C1 SPC-k848 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 SPC-s049 [0,0,0,1,0,0|2,0,0]=3 4 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 SPC-s038 [0,0,0,1,0,0|2,0,0]=3 5 B9R1.35 NC1CCC(C(=O)O)C1 SPC-h180 [0,0,0,1,0,0|2,0,0]=3 6 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SPC-q476 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SPC-t661 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j914 [0,0,0,1,0,0|1,0,0]=2 9 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SPC-j915 [0,0,0,1,0,0|1,0,0]=2 10 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 SPC-s047 [0,0,0,1,0,0|1,0,0]=2 11 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 SPC-k019 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 SPC-s048 [0,0,0,1,0,0|1,0,0]=2 13 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 SPC-n707 [0,0,0,1,0,0|1,0,0]=2 14 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SPC-g127 [0,0,0,1,0,0|1,0,0]=2 15 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 SPC-k011 [0,0,0,1,0,0|1,0,0]=2 16 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-m778 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SPC-t597 [0,0,0,1,0,0|1,0,0]=2 18 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 SPC-h594 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-h678 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.35 O=C1CC[C@H](C(=O)O)C1 SPC-k770 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SPC-k492 [0,0,0,1,0,0|1,0,1]=3 22 B9R1.69 C[C@H]1CNC(=O)[C@H](C)N1 SPC-u935 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.112 NC(=O)[C@@H](N)CC1CC1 SPC-v428 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.112 N[C@@H](CC1CC1)C(=O)O SPC-u403 [0,0,0,1,0,0|0,0,0]=1 25 B9R1.152 C=C1CC(C)(C(=O)O)C1 SPC-m876 [0,0,0,1,0,0|1,0,2]=4 26 B9R1.152 CC1(C(=O)O)CC(=O)C1 SPC-i556 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.152 NC1(C(=O)O)CC(F)C1 SPC-q732 [0,0,0,1,0,0|1,0,0]=2 28 B9R1.152 NC1(C(=O)O)CC(O)C1 SPC-s756 [0,0,0,1,0,0|1,0,0]=2 29 B9R1.164 CC1(C)C=C(C(=O)O)C1 SPC-j758 [0,0,0,1,0,0|1,0,1]=3 30 B9R1.164 CC1(C)CC(C(=O)O)C1 SPC-h348 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.164 CC1(O)CC(C(=O)O)C1 SPC-h988 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.164 O=C(O)C1CC(F)(F)C1 SPC-a128 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.169 C[C@]1(C(=O)O)CC1(F)F SPC-n007 [0,0,0,1,0,0|3,0,0]=4 34 B6R0.2 CC(C)CB(O)O SPC-r379 [2,0,0,0,0,0|2,0,0]=4 35 B6R0.4 CC\C=C\C(=O)O SPC-t510 [2,0,0,0,0,0|0,0,2]=4 36 B6R0.3 CC[C@@H](Br)C(=O)O SPC-t752 [2,0,0,0,0,0|1,0,0]=3 37 B6R0.3 CC[C@H](Br)C(=O)O SPC-t846 [2,0,0,0,0,0|1,0,0]=3 38 B6R0.3 CN[C@@H](C)C(=O)O SPC-s663 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.3 CO[C@@H](C)C(=O)O SPC-h233 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.3 CO[C@@H](C)C(=O)O SPC-t778 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.29 O=C(O)CCC(F)(F)F SPC-v732 [1,1,0,0,0,0|2,0,0]=4 42 B8R0.27 N[C@H](C(=O)O)C(F)(F)F SPC-u497 [0,1,0,0,1,0|2,0,0]=4 43 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 SPC-h148 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.1 OC[C@@H]1C[C@H](O)CN1 SPC-t928 [1,0,0,1,0,0|1,0,1]=4 45 B8R1.1 OC[C@H]1C[C@H](O)CN1 SPC-r289 [1,0,0,1,0,0|1,0,1]=4 46 B8R1.4 NC1COCC(O)C1 SPC-t029 [1,0,0,1,0,0|1,0,1]=4 47 B8R1.31 CC(C)C1OCC1N SPC-u918 [1,0,0,1,0,0|0,0,1]=3 48 B8R1.53 CC1(C)CC(CO)C1 SPC-i522 [1,0,0,1,0,0|1,0,1]=4 49 B8R1.53 CC1(C)C[C@H](CO)O1 SPC-i786 [1,0,0,1,0,0|1,0,1]=4 50 B8R1.62 NC1(CO)CC(F)C1 SPC-i932 [1,0,0,1,0,0|1,0,1]=4 51 B8R1.5 N[C@@H]1CCCC[C@H]1O SPC-t809 [1,0,0,1,0,0|1,0,1]=4 52 B8R1.7 NC(=O)[C@@H]1CCCN1 SPC-m512 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.7 O=C(O)C1CCCC1 SPC-k222 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-n752 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.7 O=C(O)[C@@H]1CCNC1 SPC-s684 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.7 O=C(O)[C@@H]1CCOC1 SPC-h613 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-g474 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-j200 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.7 O=C(O)[C@H]1CCNC1 SPC-t662 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-g501 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.7 O=C(O)[C@H]1CCOC1 SPC-j337 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.23 CC1CC(C(=O)O)C1 SPC-m202 [1,0,0,1,0,0|1,0,0]=3 63 B8R1.23 CN1CC(C(=O)O)C1 SPC-a114 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 SPC-i346 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 SPC-i384 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.23 NC1CC(C(=O)O)C1 SPC-q735 [1,0,0,1,0,0|2,0,0]=4 67 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SPC-h937 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SPC-i508 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.23 O=C(O)C1CC(Cl)C1 SPC-h856 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.23 O=C(O)C1CC(F)C1 SPC-a125 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.23 O=C(O)C1CC(O)C1 SPC-p384 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 SPC-q739 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 SPC-h918 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 SPC-h952 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 SPC-q738 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SPC-i654 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.23 O=C1C[C@@H](C(=O)O)N1 SPC-i679 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.23 O=C1C[C@H](C(=O)O)N1 SPC-i186 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.78 CC1(C(=O)O)CCC1 SPC-h853 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.78 CC1(C(=O)O)CNC1 SPC-n023 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.78 CC1(C(=O)O)COC1 SPC-a022 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.78 C[C@@]1(C(=O)O)CCO1 SPC-w005 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.78 NC1(C(=O)O)CCC1 SPC-h208 [1,0,0,1,0,0|0,0,0]=2 85 B8R1.78 NC1(C(=O)O)CCC1 SPC-h754 [1,0,0,1,0,0|0,0,0]=2 86 B8R1.78 NC1(C(=O)O)CNC1 SPC-i658 [1,0,0,1,0,0|1,0,0]=3 87 B8R1.78 NC1(C(=O)O)COC1 SPC-a068 [1,0,0,1,0,0|1,0,0]=3 88 B8R1.78 O=C(O)C1(Br)CCC1 SPC-t595 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.78 O=C(O)C1(F)CNC1 SPC-i807 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.78 O=C(O)C1(O)CCC1 SPC-n942 [1,0,0,1,0,0|1,0,0]=3 91 B8R1.78 O=C(O)C1(O)CNC1 SPC-p383 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.78 O=C(O)C1(O)COC1 SPC-r004 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.3 C[C@@H]1C=CC(=O)CC1 SPC-s978 [1,0,0,1,0,0|1,0,1]=4 94 B8R1.3 C[C@@H]1CNC(=O)CN1 SPC-u069 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.3 C[C@H]1CCC(=O)NC1 SPC-p145 [1,0,0,1,0,0|1,0,0]=3 96 B8R1.3 C[C@H]1CNC(=O)CN1 SPC-n806 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.3 N[C@@H]1CCC(=O)NC1 SPC-r045 [1,0,0,1,0,0|2,0,0]=4 98 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-h503 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.3 N[C@H]1CCC(=O)NC1 SPC-r044 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.3 O=C1CCC(F)CC1 SPC-u525 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.35 O=C(O)\C=C\C1CC1 SPC-n055 [1,0,0,1,0,0|0,0,2]=4 102 B8R1.77 O=C(O)[C@@H]1CC1(F)F SPC-n672 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-j902 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.77 O=C(O)[C@H]1CC1(F)F SPC-q542 [1,0,0,1,0,0|2,0,0]=4 105 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 SPC-m733 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SPC-g845 [0,0,0,1,0,1|2,0,0]=4 107 B10R1.13 O=C(O)C1CCC(F)CC1 SPC-m707 [0,0,0,1,0,1|2,0,0]=4 108 B10R1.13 O=C(O)C1CCC(O)CC1 SPC-t748 [0,0,0,1,0,1|2,0,0]=4 109 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 SPC-m080 [0,0,0,1,0,1|1,0,0]=3 110 B10R1.13 O=C(O)[C@H]1CC[C@@H](F)CC1 SPC-q778 [0,0,0,1,0,1|2,0,0]=4 111 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SPC-j863 [0,0,0,1,0,1|2,0,0]=4 112 B10R1.13 O=C(O)[C@H]1CC[C@H](F)CC1 SPC-q777 [0,0,0,1,0,1|2,0,0]=4 113 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 SPC-t808 [0,0,0,1,0,1|2,0,0]=4 114 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 SPC-v713 [0,0,0,1,0,1|1,0,1]=4 115 B10R1.349 CN(C)C1CC(C(=O)O)C1 SPC-i130 [0,0,0,1,0,1|2,0,0]=4 116 B10R1.359 CC1(C)CN[C@@H](C(=O)O)C1 SPC-t478 [0,0,0,1,0,1|1,0,0]=3 117 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n722 [0,0,0,1,0,1|2,0,0]=4 118 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 SPC-n723 [0,0,0,1,0,1|2,0,0]=4 119 B10R1.566 CC1(C(=O)O)CC(F)(F)C1 SPC-h975 [0,1,0,1,0,0|2,0,0]=4 120 B10R1.566 NC1(C(=O)O)CC(F)(F)C1 SPC-i238 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.14 COC(=O)C1CCC(Br)C1 SPC-q794 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.14 COC(=O)C1CCC(O)C1 SPC-v019 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 SPC-q782 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 SPC-n417 [0,1,0,1,0,0|1,0,0]=3 125 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 SPC-q175 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 SPC-k674 [0,1,0,1,0,0|1,0,0]=3 127 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 SPC-g385 [0,1,0,1,0,0|1,0,0]=3 128 B10R1.184 CNC(=O)[C@@H](N)CC1CC1 SPC-v409 [0,1,0,1,0,0|1,0,0]=3 129 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C SPC-n725 [0,1,0,1,0,0|2,0,0]=4 130 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C SPC-u232 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.413 COC(=O)C1CC(C)(C)C1 SPC-h828 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.424 COC(=O)C1(C)CC(O)C1 SPC-h897 [0,1,0,1,0,0|2,0,0]=4 133 B10R1.424 COC(=O)C1(F)CC(O)C1 SPC-v048 [0,1,0,1,0,0|2,0,0]=4 134 B10R1.113 CN1CCC[C@@H](C(=O)O)C1 SPC-m806 [0,1,0,1,0,0|2,0,0]=4 135 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-g864 [0,1,0,1,0,0|2,0,0]=4 136 B10R1.113 CN1CCC[C@H](C(=O)O)C1 SPC-m811 [0,1,0,1,0,0|2,0,0]=4 137 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SPC-g914 [0,1,0,1,0,0|2,0,0]=4 138 B10R1.113 O=C(O)[C@@H]1CCC[C@H](O)C1 SPC-t571 [0,1,0,1,0,0|2,0,0]=4 139 B10R1.113 O=C(O)[C@H]1CCC[C@@H](O)C1 SPC-v191 [0,1,0,1,0,0|2,0,0]=4 140 B10R1.361 CC(C)N1CC[C@H]1C(=O)O SPC-i627 [0,1,0,1,0,0|2,0,0]=4 141 B10R1.204 N[C@@H](CC1COC1)C(=O)O SPC-f120 [0,1,0,1,0,0|0,0,0]=2 142 B10R1.490 NC1(C(=O)O)CC(CO)C1 SPC-n967 [0,1,0,1,0,0|0,0,0]=2 143 B10R2.348 NC(=O)C12CCC(C1)C2 SPC-a820 [0,0,0,2,0,0|2,0,0]=4 144 B10R2.348 O=C(O)C12CCC(C1)C2 SPC-a823 [0,0,0,2,0,0|1,0,0]=3 145 B10R2.355 O=C(O)C1NCC2CC21 SPC-n039 [0,0,0,2,0,0|0,0,0]=2 146 B10R2.357 O=C(O)C1CC2CC2C1 SPC-k476 [0,0,0,2,0,0|1,0,0]=3 147 B10R2.646 O=C(O)C1CC2(CC2)C1 SPC-o095 [0,0,0,2,0,0|1,0,0]=3 148 B10R2.636 CC12CC(C(=O)O)(C1)C2 SPC-a772 [0,0,0,2,0,0|1,0,0]=3 149 B10R2.636 NC12CC(C(=O)O)(C1)C2 SPC-a781a [0,0,0,2,0,0|2,0,0]=4 150 B10R2.636 O=C(O)C12CC(Br)(C1)C2 SPC-w009 [0,0,0,2,0,0|2,0,0]=4 151 B10R2.636 O=C(O)C12CC(Cl)(C1)C2 SPC-o056 [0,0,0,2,0,0|2,0,0]=4 152 B10R2.636 O=C(O)C12CC(F)(C1)C2 SPC-a829 [0,0,0,2,0,0|2,0,0]=4 153 B10R2.636 O=C(O)C12CC(O)(C1)C2 SPC-q710 [0,0,0,2,0,0|2,0,0]=4 154 B8R0.28 CN(C)C\C=C\C(=O)O SPC-m774 [1,0,0,0,0,1|1,0,1]=4