0 B9R1.35 CC(=O)N1CC[C@H](N)C1 C72166 [0,0,0,0,0,0|4,0,0]=4 1 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53665 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.35 CC1=NO[C@H](C(=O)O)C1 H10561 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CN1CC[C@H](C(=O)O)C1 P14492 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 AT11433 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 N=C(N)N1CC[C@H](O)C1 73482 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 NC1CNC(C(=O)O)C1 F19644 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 86111 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC1030 [0,0,0,0,0,0|2,0,0]=2 9 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 S11069 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C15010 [0,0,0,0,0,0|1,0,0]=1 11 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 C74364 [0,0,0,0,0,0|1,0,0]=1 12 B9R1.35 O=C(O)C1CC(F)CN1 39473 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P13403 [0,0,0,0,0,0|1,0,0]=1 14 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 P14546 [0,0,0,0,0,0|1,0,0]=1 15 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 P10236 [0,0,0,0,0,0|1,0,0]=1 16 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 P11252 [0,0,0,0,0,0|0,1,0]=1 17 B9R1.35 O=C1C[C@H](C(=O)O)CN1 P15832 [0,0,0,0,0,0|2,0,2]=4 18 B8R1.1 N[C@@H]1CN[C@@H](CO)C1 91823 [1,0,0,0,0,0|1,0,1]=3 19 B8R1.1 N[C@@H]1CN[C@H](CO)C1 91824 [1,0,0,0,0,0|1,0,1]=3 20 B8R1.1 OCC1CCC(F)C1 AT22250 [1,0,0,0,0,0|2,0,1]=4 21 B8R1.1 OC[C@H]1C[C@H](O)CN1 F13011 [1,0,0,0,0,0|0,0,1]=2 22 B8R1.7 CC(=O)C1=NCCC1 H10253 [1,0,0,0,0,0|1,0,2]=4 23 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [1,0,0,0,0,0|1,0,0]=2 24 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.7 CC(C)[C@@H]1CCCN1 P10941 [1,0,0,0,0,0|2,0,1]=4 27 B8R1.7 CC(C)[C@@H]1CCCN1 P12433 [1,0,0,0,0,0|2,0,1]=4 28 B8R1.7 CC(O)[C@@H]1CCCN1 AT26535 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.7 FC(F)[C@@H]1CCCN1 P14661 [1,0,0,0,0,0|2,0,1]=4 30 B8R1.7 N=C(N)C1CCCC1 71790 [1,0,0,0,0,0|3,0,0]=4 31 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [1,0,0,0,0,0|3,0,0]=4 32 B8R1.7 NC(=S)C1CCCC1 N13298 [1,0,0,0,0,0|2,1,0]=4 33 B8R1.7 NC(=S)[C@@H]1CCCO1 W10328 [1,0,0,0,0,0|2,1,0]=4 34 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [1,0,0,0,0,0|3,0,0]=4 35 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [1,0,0,0,0,0|0,0,2]=3 36 B8R1.7 O=C(O)[C@@H]1CCCS1 98590 [1,0,0,0,0,0|1,0,0]=2 37 B8R1.7 O=C(O)[C@@H]1CCCS1 98591 [1,0,0,0,0,0|1,0,0]=2 38 B8R1.7 O=C(O)[C@@H]1CCNO1 AT14856 [1,0,0,0,0,0|2,0,0]=3 39 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 D80706 [0,1,0,0,0,0|1,0,1]=3 40 B10R1.14 COC(=O)C1C=CC(N)C1 AT12408 [0,1,0,0,0,0|2,0,1]=4 41 B10R1.14 COC(=O)C1C=CC(N)C1 AT26068 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.14 COC(=O)C1CCC(N)C1 F31402 [0,1,0,0,0,0|2,0,0]=3 43 B10R1.14 COC(=O)N1CC[C@H](O)C1 AT22495 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.14 COC(=O)[C@@H]1C[C@H](N)CO1 F50103 [0,1,0,0,0,0|2,0,0]=3 45 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11714 [0,1,0,0,0,0|2,0,1]=4 46 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 I11808 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 P17296 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 S10609 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.31 CC(=O)N1CC[C@H](CO)C1 P19907 [0,1,0,0,0,0|3,0,0]=4 50 B10R1.59 CN1C[C@@H](O)C[C@H]1C(=O)O FD21788 [0,1,0,0,0,0|0,0,0]=1 51 B10R1.59 CN1C[C@H](O)C[C@H]1C(=O)O C16643 [0,1,0,0,0,0|0,0,0]=1 52 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 P15810 [0,1,0,0,0,0|1,0,0]=2 53 B10R1.194 CC1=C(C(=O)O)CC[C@@H]1O 97942 [0,1,0,0,0,0|1,0,2]=4 54 B10R1.359 CC1(C)CC[C@@H](C(=O)O)N1 AT23798 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 AT21812 [0,1,0,0,0,0|1,0,0]=2 56 B10R1.359 CC1(C)CN[C@H](C(=O)O)C1 P11128 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 AC4300 [0,1,0,0,0,0|2,0,0]=3 58 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 P13610 [0,1,0,0,0,0|1,0,0]=2 59 B10R1.470 C[C@@]1(C(N)=O)C[C@@H](O)CN1 P12549 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,0,1,0,0,0|3,0,0]=4 61 B8R0.9 [15NH2]CC(=O)CCC(=O)O D98679 [0,0,1,0,0,0|0,0,2]=3 62 B8R0.15 CCC[C@H](NC)C(=O)O AT16735 [0,0,1,0,0,0|1,0,0]=2 63 B8R0.15 CCC[C@H](NC)C(=O)O C15224 [0,0,1,0,0,0|1,0,0]=2 64 B8R0.15 CCC[C@H](OC)C(=O)O AC8429 [0,0,1,0,0,0|2,0,0]=3 65 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,0,1,0,0,0|3,0,0]=4 66 B8R0.15 CN[C@@H](COC)C(=O)O AT12797 [0,0,1,0,0,0|2,0,0]=3 67 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,0,1,0,0,0|3,0,0]=4 68 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,0,1,0,0,0|2,0,0]=3 69 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,0,1,0,0,0|2,0,0]=3 70 B8R0.23 NC(=O)[C@@H](N)CC(=O)O FD21180 [0,0,1,0,0,0|2,0,1]=4 71 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] C15723 [0,0,1,0,0,0|1,0,2]=4 72 B8R0.23 N[C@@H](CC(F)F)C(=O)O F53560 [0,0,1,0,0,0|2,0,0]=3 73 B8R0.23 O=C(O)C[C@H](Br)C(=O)O 12185 [0,0,1,0,0,0|2,0,1]=4 74 B8R0.23 O=C(O)C[C@H](F)C(=O)O AC5755 [0,0,1,0,0,0|2,0,1]=4 75 B8R0.23 [15NH2]C(=O)C[C@H]([15NH2])C(=O)O 41391 [0,0,1,0,0,0|1,0,2]=4 76 B8R0.23 [15NH2][C@@H](CC(=O)O)C(=O)O 41415 [0,0,1,0,0,0|1,0,1]=3 77 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,1,0,0,0|2,0,1]=4 78 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,1,0,0,0|3,0,0]=4 79 B10R2.60 OC1CC2CC1CC2O AC6415 [0,0,0,1,0,0|2,0,1]=4 80 B10R2.178 O=C1CCC2CCC1C2 AT22812 [0,0,0,1,0,0|3,0,0]=4 81 B10R2.348 O=C(O)C12CC(CN1)C2 P10600 [0,0,0,1,0,0|1,0,0]=2 82 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 P10629 [0,0,0,1,0,0|1,0,0]=2 83 B8R1.23 CN(C)C1CC(O)C1 AT20147 [0,0,0,0,1,0|3,0,0]=4 84 B8R1.23 CN(C)[C@H]1C[C@H](O)C1 AT20146 [0,0,0,0,1,0|3,0,0]=4 85 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,0,1,0|1,0,0]=2 86 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,0,0,0,1,0|1,0,0]=2 87 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,0,0,0,1,0|3,0,0]=4 88 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)CN1 C90710 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CN1 F18655 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.13 NC(=O)C1CCC(O)CC1 P18990 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.13 NC(=O)N1CCC(O)CC1 AT22996 [0,0,0,0,0,1|3,0,0]=4 92 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 P10634 [0,0,0,0,0,1|0,0,2]=3 93 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 74997 [0,0,0,0,0,1|0,0,2]=3 94 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 C73109 [0,0,0,0,0,1|0,0,2]=3 95 B10R1.54 CC(=O)O[C@@H]1C=C[C@@H](O)C1 F18070 [0,0,0,0,0,1|2,0,1]=4 96 B10R1.54 CC(=O)O[C@@H]1C=C[C@H](O)C1 62221 [0,0,0,0,0,1|2,0,1]=4 97 B10R1.54 CC(=O)O[C@H]1CC[C@H](N)C1 C93262 [0,0,0,0,0,1|3,0,0]=4 98 B10R1.54 CN1CC[C@H](CC(=O)O)C1 C77745 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.54 O=C(O)CC1CCC(O)C1 AT26924 [0,0,0,0,0,1|1,0,0]=2 100 B10R1.54 O=C(O)CN1CC[C@H](O)C1 S11123 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.54 O=C(O)C[C@H]1CCC(=O)C1 88864 [0,0,0,0,0,1|1,0,2]=4 102 B10R1.54 O=C(O)C[C@H]1C[C@H](O)CN1 FD10331 [0,0,0,0,0,1|0,0,0]=1 103 B10R1.113 CC(=O)N1CCC[C@H](O)C1 AB7340 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.113 CC(=O)N1CCC[C@H](O)C1 C16296 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.113 CC(=O)N1CCC[C@H](O)C1 F17732 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.113 CC1CC(C(=O)O)CCN1 88368 [0,0,0,0,0,1|2,0,0]=3 107 B10R1.113 CN1CCN[C@H](C(=O)O)C1 AB2925 [0,0,0,0,0,1|2,0,0]=3 108 B10R1.113 CN1CCO[C@H](C(=O)O)C1 F17615 [0,0,0,0,0,1|3,0,0]=4 109 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18898 [0,0,0,0,0,1|2,0,0]=3 110 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)O1 F18902 [0,0,0,0,0,1|2,0,0]=3 111 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 P11798 [0,0,0,0,0,1|2,0,0]=3 112 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 70893 [0,0,0,0,0,1|0,0,2]=3 113 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 C14251 [0,0,0,0,0,1|0,0,2]=3 114 B10R1.113 O=C1CNC[C@@H](C(=O)O)N1 76385 [0,0,0,0,0,1|1,0,2]=4 115 B7R0.4 C#CCNCC(=O)O AT20711 [1,0,1,0,0,0|0,0,2]=4 116 B7R0.4 CC(=O)NCCCN AR2174 [1,0,1,0,0,0|2,0,0]=4 117 B7R0.4 CC\C=C/CC(=O)O F18341 [1,0,1,0,0,0|1,0,1]=4 118 B7R0.4 C[S@](=O)CCCCN 13216 [1,0,1,0,0,0|2,0,0]=4 119 B7R0.4 NC(=O)CCCCBr AC9465 [1,0,1,0,0,0|2,0,0]=4 120 B7R0.4 NC(=O)CCCCCl AC5718 [1,0,1,0,0,0|2,0,0]=4 121 B7R0.4 NCCCCC(N)=O AC3685 [1,0,1,0,0,0|1,0,0]=3 122 B7R0.4 NCCSCC(=O)O AT25571 [1,0,1,0,0,0|1,0,0]=3 123 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [1,0,1,0,0,0|2,0,0]=4 124 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [1,0,1,0,0,0|2,0,0]=4 125 B7R0.5 CNC[C@H](N)C(=O)O 88602 [1,0,1,0,0,0|1,0,0]=3 126 B7R0.5 C[Se]C[C@H](N)C(=O)O C16524 [1,0,1,0,0,0|1,0,0]=3 127 B7R0.5 NCC[C@H](F)C(=O)O F19724 [1,0,1,0,0,0|2,0,0]=4 128 B7R0.5 NCC[C@H](N)C(=O)O F10323 [1,0,1,0,0,0|1,0,0]=3 129 B7R0.15 CCC(CC)C(N)=O AC2944 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.15 CC[C@@H](CN)C(=O)O 97589 [1,0,1,0,0,0|2,0,0]=4 131 B7R0.15 COC(OC)C(=O)O AT19758 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.15 NC[C@@H](CO)C(=O)O FD10273 [1,0,1,0,0,0|2,0,0]=4 133 B7R1.1 C#C[C@@H]1CCCN1 P11309 [2,0,0,0,0,0|1,0,1]=4 134 B7R1.1 C#C[C@@H]1CCCN1 P12571 [2,0,0,0,0,0|1,0,1]=4 135 B7R1.1 C#C[C@@H]1CCCN1 P12581 [2,0,0,0,0,0|1,0,1]=4 136 B7R1.1 C#C[C@@H]1CCCN1 P15993 [2,0,0,0,0,0|1,0,1]=4 137 B7R1.1 CC[C@H]1CCCN1 N12693 [2,0,0,0,0,0|1,0,1]=4 138 B7R1.1 ClC[C@H]1CCCN1 87778 [2,0,0,0,0,0|1,0,1]=4 139 B7R1.1 ClC[C@H]1CCCN1 D76474 [2,0,0,0,0,0|1,0,1]=4 140 B7R1.1 FC[C@H]1CCCN1 AT24807 [2,0,0,0,0,0|1,0,1]=4 141 B7R1.1 FC[C@H]1CCCN1 P12668 [2,0,0,0,0,0|1,0,1]=4 142 B7R1.1 N#C[C@@H]1CCCN1 74927 [2,0,0,0,0,0|1,0,1]=4 143 B7R1.1 N#C[C@@H]1CCCN1 C16310 [2,0,0,0,0,0|1,0,1]=4 144 B7R1.1 NC[C@H]1CCCN1 C16283 [2,0,0,0,0,0|1,0,1]=4 145 B7R1.1 NC[C@H]1CCCN1 FD10638 [2,0,0,0,0,0|1,0,1]=4 146 B7R1.1 NC[C@H]1CCCN1 S10708 [2,0,0,0,0,0|1,0,1]=4 147 B7R1.1 OC[C@H]1CCCN1 11147 [2,0,0,0,0,0|0,0,1]=3 148 B7R1.1 ONC1CCCC1 33366 [2,0,0,0,0,0|2,0,0]=4 149 B7R1.1 ONC1CCCC1 33756 [2,0,0,0,0,0|2,0,0]=4 150 B7R1.2 CC1CC(O)CN1 AT24888 [2,0,0,0,0,0|0,0,1]=3 151 B7R1.2 CC1CNC(C)C1 83923 [2,0,0,0,0,0|1,0,1]=4 152 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [2,0,0,0,0,0|1,0,1]=4 153 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [2,0,0,0,0,0|1,0,1]=4 154 B7R1.2 O=C1C[C@H](S)CN1 39278 [2,0,0,0,0,0|0,1,1]=4 155 B9R0.13 CCCC[C@@H](CO)C(=O)O 62404 [0,1,1,0,0,0|2,0,0]=4 156 B9R0.13 CCCC[C@H](NC)C(=O)O AT16731 [0,1,1,0,0,0|2,0,0]=4 157 B9R0.13 CCCC[C@H](NC)C(=O)O C15089 [0,1,1,0,0,0|2,0,0]=4 158 B9R0.13 CCCC[C@H](OC)C(=O)O AC6557 [0,1,1,0,0,0|2,0,0]=4 159 B9R0.51 CCCC[C@](C)(O)C(=O)O D86692 [0,1,1,0,0,0|2,0,0]=4 160 B9R0.15 CCC[C@H](OCC)C(=O)O AC7206 [0,1,1,0,0,0|2,0,0]=4 161 B9R0.33 CCC[C@H](C(=O)O)C(C)C F19287 [0,1,1,0,0,0|2,0,0]=4 162 B9R0.39 CN[C@@H](CC(C)C)C(=O)O AT23631 [0,1,1,0,0,0|1,0,0]=3 163 B9R0.74 CN[C@@](C)(COC)C(=O)O AT12804 [0,1,1,0,0,0|2,0,0]=4 164 B9R0.11 CC(C)C[C@](C)(N)C(=O)O FD21917 [0,1,1,0,0,0|1,0,0]=3 165 B9R0.11 CC(C)C[C@](C)(O)C(=O)O C15677 [0,1,1,0,0,0|2,0,0]=4 166 B9R0.53 CC(C)C[C@H](N)CC(=O)O 52003 [0,1,1,0,0,0|2,0,0]=4 167 B9R0.56 [2H]C([2H])(C)CCCC(=O)O D98190 [0,1,1,0,0,0|2,0,0]=4 168 B9R1.7 COCC1CC(O)CN1 AT22824 [1,1,0,0,0,0|0,0,1]=3 169 B9R1.7 COC[C@@H]1C[C@H](O)CN1 AT22827 [1,1,0,0,0,0|0,0,1]=3 170 B9R1.7 COC[C@H]1C[C@H](O)CN1 AT22810 [1,1,0,0,0,0|0,0,1]=3 171 B9R1.21 CO[C@@H]1CN[C@@H](CO)C1 AT22832 [1,1,0,0,0,0|0,0,1]=3 172 B9R1.22 CN1C[C@@H](O)C[C@@H]1CO AT22831 [1,1,0,0,0,0|0,0,1]=3 173 B9R1.22 CN1C[C@@H](O)C[C@H]1CO AT22828 [1,1,0,0,0,0|0,0,1]=3 174 B9R1.125 CC1(CO)CC(O)CN1 AT22833 [1,1,0,0,0,0|0,0,1]=3 175 B9R1.133 CC1(C)CN[C@@H](CO)C1 F12516 [1,1,0,0,0,0|1,0,1]=4 176 B9R1.11 C#CC(=O)C1CCCC1 88682 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.11 CCC(=O)C1CCCC1 F53464 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78390 [1,1,0,0,0,0|1,0,0]=3 179 B9R1.11 CNC(=O)[C@@H]1CCCN1 C78509 [1,1,0,0,0,0|1,0,0]=3 180 B9R1.11 COC(=O)[C@@H]1C=CCN1 F10707 [1,1,0,0,0,0|0,0,2]=4 181 B9R1.11 COC(=O)[C@@H]1CSCN1 D74074 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.11 COC(=O)[C@H]1CCNC1 C15796 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O W10213 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.41 C[C@H]1CNC[C@@H]1C(=O)O AT17205 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O E71624 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O W15326 [1,1,0,0,0,0|1,0,0]=3 188 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O AT13997 [1,1,0,0,0,0|1,0,0]=3 189 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O AT13975 [1,1,0,0,0,0|1,0,0]=3 190 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F D97117 [1,1,0,0,0,0|0,0,0]=2 191 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P14778 [1,1,0,0,0,0|0,0,0]=2 192 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O P16430 [1,1,0,0,0,0|0,0,0]=2 193 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O P14685 [1,1,0,0,0,0|0,0,0]=2 194 B9R1.163 C[C@]1(C(=O)O)CCNC1 D72045 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.163 N[C@@]1(C(=O)O)CCNC1 F19622 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.163 O=C(O)[C@]1(F)CCNC1 P12597 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.163 O=C(O)[C@]1(O)CCNC1 32143 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.163 O=C(O)[C@]1(O)CCOC1 F53622 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.163 [2H][C@@]1(C(=O)O)CCCN1 D98940 [1,1,0,0,0,0|0,0,0]=2 200 B9R1.82 CNC(=O)C1CC(O)C1 C14153 [0,1,0,0,1,0|1,0,0]=3 201 B9R1.82 COC(=O)C1CC(N)C1 D78846 [0,1,0,0,1,0|1,0,0]=3 202 B9R1.82 COC(=O)N1CC(N)C1 AT23057 [0,1,0,0,1,0|2,0,0]=4 203 B9R1.82 COC(=O)N1CC(O)C1 P17177 [0,1,0,0,1,0|1,0,0]=3 204 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 38015 [0,1,0,0,1,0|1,0,0]=3 205 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 P12407 [0,1,0,0,1,0|1,0,0]=3 206 B9R1.152 O=C1CC(F)(C(=O)O)C1 F53583 [0,1,0,0,1,0|0,0,2]=4 207 B9R1.164 CC1(O)CC(C(=O)O)C1 27418 [0,1,0,0,1,0|0,0,0]=2 208 B9R1.164 O=C(Cl)C1CC(F)(F)C1 C77516 [0,1,0,0,1,0|2,0,0]=4 209 B9R1.164 O=C(O)C1CC(Cl)(Cl)C1 AT13244 [0,1,0,0,1,0|1,0,0]=3 210 B9R1.81 COC(=O)C1CCC1N P20420 [0,1,0,0,1,0|2,0,0]=4 211 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N AT10518 [0,1,0,0,1,0|2,0,0]=4 212 B9R1.96 CCC1CN[C@@H]1C(=O)O P15219 [0,1,0,0,1,0|1,0,0]=3 213 B11R1.3 N#CC1CCC(C(=O)O)CC1 D78745 [0,1,0,0,0,1|2,0,0]=4 214 B11R1.3 NC[C@H]1CC[C@H](C(=O)O)CC1 A11785 [0,1,0,0,0,1|2,0,0]=4 215 B11R1.22 COC(=O)C1CCC(O)CN1 F30865 [0,1,0,0,0,1|0,0,0]=2 216 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 70015 [0,1,0,0,0,1|2,0,0]=4 217 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P14642 [0,1,0,0,0,1|2,0,0]=4 218 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 P19193 [0,1,0,0,0,1|2,0,0]=4 219 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 W19558 [0,1,0,0,0,1|2,0,0]=4 220 B11R1.220 CC1CCC(N)(C(=O)O)CC1 AC8412 [0,1,0,0,0,1|2,0,0]=4 221 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 60617 [0,1,0,0,0,1|1,0,0]=3 222 B11R1.727 CC1(C)CN[C@H](C(=O)O)CO1 F12508 [0,1,0,0,0,1|1,0,0]=3 223 B11R1.39 COC(=O)C[C@@H]1C[C@H](O)CN1 F51547 [0,1,0,0,0,1|0,0,0]=2 224 B11R1.23 COC(=O)C1CC(O)CCN1 F30520 [0,1,0,0,0,1|0,0,0]=2 225 B11R1.23 COC(=O)C1CCNC(C)C1 92946 [0,1,0,0,0,1|2,0,0]=4 226 B11R1.23 COC(=O)C1CCNC(C)C1 F20889 [0,1,0,0,0,1|2,0,0]=4 227 B11R1.23 COC(=O)C1CNCC(F)C1 92537 [0,1,0,0,0,1|1,0,0]=3 228 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 55807 [0,1,0,0,0,1|2,0,0]=4 229 B11R1.23 COC(=O)[C@@H]1CCC[C@H](N)C1 D96778 [0,1,0,0,0,1|2,0,0]=4 230 B11R1.23 COC(=O)[C@@H]1C[C@@H](O)CCN1 AT22151 [0,1,0,0,0,1|0,0,0]=2 231 B11R1.23 COC(=O)[C@@H]1C[C@H](O)CCN1 E72332 [0,1,0,0,0,1|0,0,0]=2 232 B11R1.23 COC(=O)[C@H]1CCC[C@H](N)C1 P17832 [0,1,0,0,0,1|2,0,0]=4 233 B11R1.74 CC1CC(C)CC(C(=O)O)C1 P19153 [0,1,0,0,0,1|2,0,0]=4 234 B11R1.74 C[C@H]1CN(C)C[C@@H](C(=O)O)O1 AT13250 [0,1,0,0,0,1|2,0,0]=4 235 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCO1 65005 [0,1,0,0,0,1|2,0,0]=4 236 B11R1.730 CC1(C)C[C@@H](C(=O)O)CCS1 C93276 [0,1,0,0,0,1|2,0,0]=4 237 B11R1.730 O=C(O)[C@@H]1CC(F)(F)CCN1 D79490 [0,1,0,0,0,1|1,0,0]=3 238 B11R1.15 CCOC(=O)C1CCC(F)C1 AC4965 [0,2,0,0,0,0|2,0,0]=4 239 B11R1.44 COC(=O)C1CCC(C=O)C1 AT13554 [0,2,0,0,0,0|1,0,1]=4 240 B11R1.44 COC(=O)C1CCC(CO)C1 AT13550 [0,2,0,0,0,0|1,0,0]=3 241 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56604 [0,2,0,0,0,0|0,0,0]=2 242 B11R1.44 COC(=O)[C@@H]1C[C@@H](OC)CN1 56611 [0,2,0,0,0,0|0,0,0]=2 243 B11R1.44 COC(=O)[C@@H]1C[C@H](OC)CN1 56607 [0,2,0,0,0,0|0,0,0]=2 244 B11R1.44 COC(=O)[C@H]1CC[C@@H](CBr)C1 D95216 [0,2,0,0,0,0|2,0,0]=4 245 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 AT21817 [0,2,0,0,0,0|1,0,0]=3 246 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 F12601 [0,2,0,0,0,0|1,0,0]=3 247 B11R1.866 COC(=O)[C@@H]1CC(C)(C)CN1 F12602 [0,2,0,0,0,0|1,0,0]=3 248 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 P15468 [0,2,0,0,0,0|0,0,0]=2 249 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 P19080 [0,2,0,0,0,0|0,0,0]=2 250 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10150 [0,2,0,0,0,0|1,0,0]=3 251 B11R1.124 C=CC[C@H]1CN[C@H](C(=O)O)C1 F10151 [0,2,0,0,0,0|1,0,0]=3 252 B11R1.175 O=C(O)[C@H]1CC[C@H](C(=O)O)C1 C16422 [0,2,0,0,0,0|1,0,0]=3 253 B9R1.6 CC(=O)[C@@H]1CCCCN1 F16683 [0,0,1,1,0,0|2,0,0]=4 254 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,0,1,1,0,0|2,0,0]=4 255 B9R1.6 NC(=O)[C@@H]1CCCCN1 CS3415 [0,0,1,1,0,0|2,0,0]=4 256 B9R1.6 NC(=O)[C@@H]1COCCN1 F17613 [0,0,1,1,0,0|1,0,0]=3 257 B9R1.6 NC(=O)[C@@H]1COCCN1 F19100 [0,0,1,1,0,0|1,0,0]=3 258 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,1,1,0,0|1,0,1]=4 259 B9R1.6 O=C(O)[C@@H]1CCCCS1 90959 [0,0,1,1,0,0|2,0,0]=4 260 B9R1.6 O=C(O)[C@@H]1CCCNN1 50467 [0,0,1,1,0,0|2,0,0]=4 261 B9R1.6 O=C(O)[C@@H]1CSCCN1 77694 [0,0,1,1,0,0|0,1,0]=3 262 B9R1.110 C[C@@H](C(=O)O)N1CCC1 AT24076 [0,0,1,1,0,0|1,0,0]=3 263 B9R1.1 NC[C@H]1CNC(=O)CO1 W10862 [0,0,1,1,0,0|2,0,0]=4 264 B9R1.33 O=C1NCC[C@@H]1CCO AT19068 [0,0,1,1,0,0|2,0,0]=4 265 B9R1.179 O=C(O)C1(CCO)CC1 33437 [0,0,1,1,0,0|1,0,0]=3 266 B9R1.169 CC1(C)C[C@@]1(Br)C(=O)O AT12983 [0,0,1,1,0,0|2,0,0]=4 267 B9R1.169 CC1(C)C[C@@]1(F)C(=O)O AT12982 [0,0,1,1,0,0|2,0,0]=4 268 B9R1.169 CC1(C)C[C@]1(C)C(=O)O AT12979 [0,0,1,1,0,0|2,0,0]=4 269 B9R1.169 N[C@@]1(C(=O)O)CC1(F)F P12474 [0,0,1,1,0,0|2,0,0]=4 270 B9R1.169 N[C@@]1(C(=O)O)CC1(F)F P12485 [0,0,1,1,0,0|2,0,0]=4 271 B9R1.53 NC1CN(CC(=O)O)C1 AT21897 [0,0,1,1,0,0|1,0,0]=3 272 B9R1.85 O=C(O)COCC1CC1 12497 [0,0,1,1,0,0|2,0,0]=4 273 B9R2.39 O=C1OC2CCC1C2 P17974 [1,0,0,1,0,0|1,0,0]=3 274 B9R2.7 O=C1N[C@H]2CCC[C@@H]12 F12974 [1,0,0,1,0,0|2,0,0]=4 275 B9R2.147 O=C(O)C1C2CC1C2 57468 [0,0,0,1,1,0|2,0,0]=4 276 B11R2.845 O=C(O)C1NC2CCC1C2 W14573 [0,0,0,1,0,1|2,0,0]=4 277 B11R2.845 O=C(O)N1CC2CCC1C2 F52740 [0,0,0,1,0,1|2,0,0]=4 278 B11R2.845 O=C(O)[C@H]1N[C@@H]2CC[C@H]1C2 AT22442 [0,0,0,1,0,1|2,0,0]=4 279 B11R2.738 O=C1NC2CC1C(O)C2O W12262 [0,1,0,1,0,0|2,0,0]=4 280 B11R2.914 COC(=O)[C@@H]1C[C@@H]2O[C@@H]2C1 F16318 [0,1,0,1,0,0|1,0,0]=3 281 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,0,1,0,1,0|1,0,1]=4 282 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,0,1,0,1,0|2,0,0]=4 283 B7R1.8 OC[C@H]1CC[C@@H]1O D79582 [1,0,0,0,1,0|1,0,1]=4 284 B7R1.10 C=C1CC(C=O)C1 55091 [1,0,0,0,1,0|1,0,1]=4 285 B7R1.10 CNC1CC(O)C1 AT20141 [1,0,0,0,1,0|2,0,0]=4 286 B7R1.10 NCC1CC(O)C1 P11686 [1,0,0,0,1,0|1,0,1]=4 287 B7R1.10 NC[C@H]1C[C@@H](O)C1 P11930 [1,0,0,0,1,0|1,0,1]=4 288 B7R1.10 NC[C@H]1C[C@H](O)C1 P12114 [1,0,0,0,1,0|1,0,1]=4 289 B7R1.10 N[C@H]1C[C@H](CO)C1 P12115 [1,0,0,0,1,0|1,0,1]=4 290 B7R1.18 NC(=O)C1CNC1 E73179 [1,0,0,0,1,0|2,0,0]=4 291 B7R1.18 NC(=O)C1COC1 D86258 [1,0,0,0,1,0|2,0,0]=4 292 B7R1.18 NC(=S)C1CCC1 N12939 [1,0,0,0,1,0|1,1,0]=4 293 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,0,2,0|2,0,0]=4 294 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,0,2,0|2,0,0]=4 295 B9R1.2 CC1CNCC(CO)C1 P19048 [1,0,0,0,0,1|1,0,1]=4 296 B9R1.13 CC(=O)CC1CCCC1 N12760 [1,0,0,0,0,1|2,0,0]=4 297 B9R1.13 O=C(O)CC1SCCS1 AT15646 [1,0,0,0,0,1|2,0,0]=4 298 B9R1.13 O=C(O)C[C@H]1CCNC1 P11648 [1,0,0,0,0,1|2,0,0]=4 299 B11R1.20 NC1CCC(CC(=O)O)CC1 D76125 [0,0,0,0,0,2|2,0,0]=4 300 B11R1.20 O=C(O)CN1CCC(O)CC1 C80012 [0,0,0,0,0,2|2,0,0]=4 301 B11R1.20 O=C(O)C[C@H]1CC[C@@H](O)CC1 A11165 [0,0,0,0,0,2|1,0,0]=3