0 B9R1.35 CC(=O)N1CC[C@@H](O)C1 A7835 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 CC(=O)N1CC[C@H](N)C1 A14633 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.35 CC(=O)N1CC[C@H](O)C1 H41507 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 NC(=O)[C@@H]1C[C@H](F)CN1 F5735 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,0,0,0|2,0,0]=2 17 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,0,0,0|1,0,0]=1 18 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,0,0,0|1,0,0]=1 19 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43384 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 A43553 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,0,0,0|2,0,0]=2 23 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,0,0,0|1,0,0]=1 24 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,0,0,0|1,0,0]=1 25 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,0,0,0|1,0,0]=1 26 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,0,0,0|1,0,0]=1 27 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,0,0,0|0,0,0]=0 28 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,0,0,0|0,0,0]=0 29 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,0,0,0|0,1,0]=1 30 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,0,0,0|1,0,0]=1 32 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,0,0,0|0,0,0]=0 33 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,0,0,0|0,1,0]=1 34 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,0,0,0|1,0,0]=1 35 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,0,0,0|1,0,0]=1 36 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,0,0,0|0,0,0]=0 37 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,0,0,0|0,0,0]=0 38 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,0,0,0|1,0,0]=1 39 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,0,0,0|1,0,0]=1 40 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,0,0,0|0,0,0]=0 41 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,0,0,0|1,0,2]=3 42 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,0,0,0|2,0,2]=4 44 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,0,0,0|2,0,2]=4 45 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,0,0,0|1,0,2]=3 46 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,0,0,0|1,0,2]=3 47 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,0,0,0|2,0,2]=4 48 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,0,0,0|0,0,2]=2 49 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,0,0,0|2,0,2]=4 50 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [1,0,0,0,0,0|0,0,1]=2 51 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [1,0,0,0,0,0|0,0,1]=2 53 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [1,0,0,0,0,0|2,0,1]=4 59 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,0,0,0|1,0,0]=2 64 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,0,0,0|1,0,0]=2 66 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,0,0,0|1,0,2]=4 75 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,0,0,0|1,0,0]=2 76 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,0,0,0|0,0,2]=3 77 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,0,0,0|0,0,2]=3 78 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,0,0,0|0,0,0]=1 79 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,0,0,0|1,0,0]=2 80 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,0,0,0|1,0,0]=2 81 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,0,0,0|1,0,0]=2 82 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,0,0,0|1,0,0]=2 94 B8R1.7 OB(O)C1CCCC1 C2400 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,0,0,0|2,0,0]=3 96 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 M66564 [0,1,0,0,0,0|2,0,1]=4 98 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,1,0,0,0,0|1,0,2]=4 99 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,0,0,0|1,0,2]=4 100 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,0,0,0|2,0,0]=3 101 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,0,0,0|1,0,0]=2 104 B10R1.14 COC(=O)[C@@H]1C[C@@H](S)CN1 M59855 [0,1,0,0,0,0|0,1,0]=2 105 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 M5733 [0,1,0,0,0,0|1,0,0]=2 106 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 M23511 [0,1,0,0,0,0|0,0,0]=1 107 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,0,0,0|1,0,2]=4 108 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,0,0,0|1,0,2]=4 109 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,0,0,0|1,0,0]=2 111 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,0,0,0|2,0,0]=3 112 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 M19877 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 M10824 [0,1,0,0,0,0|0,0,0]=1 114 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 M43460 [0,1,0,0,0,0|0,0,0]=1 115 B10R1.59 C[C@@H]1C[C@@H](C(=O)O)N(C)C1 D30131 [0,1,0,0,0,0|1,0,0]=2 116 B10R1.59 C[C@H]1C[C@@H](C(=O)O)N(C)C1 D29906 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.359 NC(=O)[C@@H]1CC(F)(F)CN1 D32025 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D11524 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D15109 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.359 O=C(O)[C@@H]1CC(F)(F)CN1 D20507 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 D14943 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.359 O=C(O)[C@H]1CC(F)(F)CN1 D15117 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D14944 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D8067 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,0,1,0,0,0|1,0,2]=4 129 B8R0.23 CC(C)C[C@@H](N)C(=O)O L64923 [0,0,1,0,0,0|1,0,0]=2 130 B8R0.23 CC(C)C[C@@H](O)C(=O)O H41559 [0,0,1,0,0,0|2,0,0]=3 131 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41525 [0,0,1,0,0,0|2,0,0]=3 132 B8R0.23 CC(C)C[C@H](Br)C(=O)O B41526 [0,0,1,0,0,0|2,0,0]=3 133 B8R0.23 CC(C)C[C@H](O)C(=O)O H37072 [0,0,1,0,0,0|2,0,0]=3 134 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,0,1,0,0,0|2,0,1]=4 135 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,0,1,0,0,0|1,0,1]=3 136 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] A60886 [0,0,1,0,0,0|1,0,2]=4 137 B8R0.23 N[C@@H](CS(=O)O)C(=O)O A69057 [0,0,1,0,0,0|2,0,0]=3 138 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,1,0,0,0|1,0,2]=4 139 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,1,0,0,0|3,0,0]=4 140 B10R2.178 O=C1NCC2CCC1C2 A43770 [0,0,0,1,0,0|3,0,0]=4 141 B10R2.348 O=C(O)C12CC(CN1)C2 A15220 [0,0,0,1,0,0|1,0,0]=2 142 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2C[C@@H]21 A8244 [0,0,0,1,0,0|1,0,0]=2 143 B10R2.355 O=C(O)[C@@H]1NC[C@H]2C[C@H]21 A60096 [0,0,0,1,0,0|1,0,0]=2 144 B10R2.355 O=C(O)[C@H]1NC[C@@H]2CC12 A15434 [0,0,0,1,0,0|1,0,0]=2 145 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,1,0,0|2,0,0]=3 146 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,1,0,0|1,0,0]=2 147 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,1,0,0|1,0,0]=2 148 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,0,1,0|1,0,1]=3 149 B8R1.23 CC(=O)C1CC(O)C1 H22946 [0,0,0,0,1,0|1,0,0]=2 150 B8R1.23 CC(=O)N1CC(N)C1 A11253 [0,0,0,0,1,0|3,0,0]=4 151 B8R1.23 CC(=O)N1CC(O)C1 A15322 [0,0,0,0,1,0|2,0,0]=3 152 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,0,1,0|1,0,0]=2 153 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,0,1,0|2,0,0]=3 154 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,0,1,0|1,0,0]=2 155 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,0,1,0|1,0,0]=2 156 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,0,1,0|1,0,0]=2 157 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,0,1,0|1,0,0]=2 158 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,0,1,0|1,0,0]=2 159 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,0,1,0|1,0,0]=2 160 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,0,1,0|1,0,0]=2 161 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,0,1,0|1,0,0]=2 162 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,0,1,0|1,0,0]=2 163 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,0,1,0|0,0,0]=1 164 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,0,1,0|1,0,0]=2 165 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,0,1,0|0,0,0]=1 166 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,0,1,0|1,0,0]=2 167 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,0,1,0|1,0,0]=2 168 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,0,1,0|0,0,0]=1 169 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,0,1,0|0,0,2]=3 170 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,0,1,0|0,0,2]=3 171 B8R1.23 OC1CC(C(F)F)C1 D60369 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,0,1,0|3,0,0]=4 173 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,0,1,0|1,0,0]=2 175 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,0,1,0|2,0,0]=3 176 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,0,1,0|2,0,0]=3 177 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,0,1,0|2,0,0]=3 178 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,0,1,0|2,0,0]=3 179 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,0,1,0|2,0,0]=3 180 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,0,1,0|2,0,0]=3 181 B10R1.13 CC(=O)N1CCC(O)CC1 H7831 [0,0,0,0,0,1|3,0,0]=4 182 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,0,0,0,0,1|2,0,0]=3 183 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,0,0,0,0,1|3,0,0]=4 184 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,0,0,0,0,1|2,0,0]=3 186 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,0,0,0,0,1|2,0,0]=3 187 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,0,0,0,0,1|2,0,0]=3 188 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,0,0,0,0,1|2,0,0]=3 189 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,0,0,0,0,1|2,0,0]=3 190 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,0,0,0,0,1|2,0,0]=3 191 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,0,0,0,0,1|0,0,0]=1 192 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,0,0,0,0,1|0,0,0]=1 193 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,0,0,0,0,1|1,0,0]=2 194 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,0,0,0,0,1|0,0,0]=1 195 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,0,0,0,0,1|0,0,0]=1 196 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,0,0,0,0,1|1,0,0]=2 197 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,0,0,0,0,1|1,0,2]=4 198 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,0,0,0,0,1|0,0,2]=3 199 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,0,0,0,0,1|1,0,2]=4 200 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,0,0,0,0,1|0,0,2]=3 201 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 A13068 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.54 O=C(O)C[C@@H]1C[C@@H](O)CN1 H69795 [0,0,0,0,0,1|0,0,0]=1 203 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,0,0,0,0,1|3,0,0]=4 204 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,0,0,0,0,1|3,0,0]=4 205 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,0,0,0,0,1|1,0,0]=2 206 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,0,0,0,0,1|1,0,0]=2 207 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,0,0,0,0,1|1,0,0]=2 208 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,0,0,0,0,1|1,0,0]=2 209 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,0,0,0,0,1|2,0,0]=3 210 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,0,0,0,0,1|2,0,0]=3 211 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,0,0,0,0,1|2,0,0]=3 212 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,0,0,0,0,1|2,0,0]=3 213 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,0,0,0,0,1|2,0,0]=3 214 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,0,0,0,0,1|2,0,0]=3 215 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,0,0,0,0,1|2,0,0]=3 217 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,0,0,0,0,1|0,0,0]=1 218 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,0,0,0,0,1|1,0,0]=2 219 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,0,0,0,0,1|0,0,0]=1 220 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,0,0,0,0,1|1,0,2]=4 221 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,0,0,0,0,1|1,0,2]=4 222 B7R0.4 C#CCCCC(=O)O H43301 [1,0,1,0,0,0|1,0,1]=4 223 B7R0.4 CC(=O)CCCCBr B41532 [1,0,1,0,0,0|2,0,0]=4 224 B7R0.4 CCCOCC(=O)O P40387 [1,0,1,0,0,0|1,0,0]=3 225 B7R0.4 CCC\C=C\C(=O)O H41460 [1,0,1,0,0,0|1,0,1]=4 226 B7R0.4 CNCCCC(=O)O M63276 [1,0,1,0,0,0|2,0,0]=4 227 B7R0.4 COCCCC(=O)O M67387 [1,0,1,0,0,0|2,0,0]=4 228 B7R0.4 C[C@H](O)CNCCO H40448 [1,0,1,0,0,0|0,0,1]=3 229 B7R0.4 N#CCCCC(=O)O C41166 [1,0,1,0,0,0|0,0,2]=4 230 B7R0.4 O=C(O)CCCCBr B39187 [1,0,1,0,0,0|1,0,0]=3 231 B7R0.4 O=C(O)CCCCCl C39191 [1,0,1,0,0,0|1,0,0]=3 232 B7R0.4 O=C(O)CCCCO H37199 [1,0,1,0,0,0|1,0,0]=3 233 B7R0.4 O=C(O)CNCCO H40270 [1,0,1,0,0,0|0,0,0]=2 234 B7R0.4 O=C(O)COCCCl C40236 [1,0,1,0,0,0|2,0,0]=4 235 B7R0.4 O=C([O-])CCCCO S41306 [1,0,1,0,0,0|1,0,1]=4 236 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,1,0,0,0|0,0,2]=4 237 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,1,0,0,0|0,0,2]=4 238 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,1,0,0,0|0,0,2]=4 239 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,1,0,0,0|0,0,2]=4 240 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,1,0,0,0|0,0,2]=4 241 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,1,0,0,0|0,0,2]=4 242 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,1,0,0,0|0,0,2]=4 243 B7R0.5 CCC=C(C)C(=O)O M39198 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,1,0,0,0|0,0,0]=2 245 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,1,0,0,0|1,0,0]=3 246 B7R0.5 CC\C=C(/C)C(=O)O M41462 [1,0,1,0,0,0|1,0,1]=4 247 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,1,0,0,0|1,0,0]=3 248 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,1,0,0,0|1,0,0]=3 249 B7R0.5 COC[C@H](Br)C(=O)O B40233 [1,0,1,0,0,0|2,0,0]=4 250 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,1,0,0,0|1,0,0]=3 251 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,1,0,0,0|1,0,0]=3 252 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,1,0,0,0|1,0,0]=3 253 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,1,0,0,0|2,0,0]=4 254 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,1,0,0,0|1,0,0]=3 255 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,1,0,0,0|1,0,0]=3 256 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,1,0,0,0|2,0,0]=4 257 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,1,0,0,0|2,0,0]=4 258 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,1,0,0,0|1,0,0]=3 259 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,1,0,0,0|0,0,0]=2 260 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,1,0,0,0|0,1,0]=3 261 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,1,0,0,0|0,0,0]=2 262 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,1,0,0,0|0,1,0]=3 263 B7R0.6 CN(C)CCC(=O)O D41335 [1,0,1,0,0,0|2,0,0]=4 264 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.6 NC(=O)CCC(=O)O A63078 [1,0,1,0,0,0|0,0,2]=4 266 B7R0.6 O=C(O)CCC(F)F D59737 [1,0,1,0,0,0|2,0,0]=4 267 B7R0.15 CCC(CC)C(=O)[O-] M43580 [1,0,1,0,0,0|1,0,1]=4 268 B7R0.2 CC(C)C[C@@H](N)CO L41620 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.2 CC(C)C[C@H](N)CO A68907 [1,0,1,0,0,0|1,0,1]=4 270 B7R1.1 FC[C@@H]1CCCN1 F1127 [2,0,0,0,0,0|1,0,1]=4 271 B7R1.1 FC[C@H]1CCCN1 F12954 [2,0,0,0,0,0|1,0,1]=4 272 B7R1.1 N#C[C@@H]1CCCN1 C10155 [2,0,0,0,0,0|1,0,1]=4 273 B7R1.1 N#C[C@@H]1CCCN1 C10523 [2,0,0,0,0,0|1,0,1]=4 274 B7R1.1 N#C[C@@H]1CCCN1 C12934 [2,0,0,0,0,0|1,0,1]=4 275 B7R1.1 N#C[C@@H]1CCCN1 C12935 [2,0,0,0,0,0|1,0,1]=4 276 B7R1.1 N#C[C@H]1CCCN1 C10524 [2,0,0,0,0,0|1,0,1]=4 277 B7R1.1 N#C[C@H]1CCCN1 C12936 [2,0,0,0,0,0|1,0,1]=4 278 B7R1.1 NC[C@@H]1CCCN1 A7822 [2,0,0,0,0,0|1,0,1]=4 279 B7R1.1 NC[C@H]1CCCN1 A60830 [2,0,0,0,0,0|1,0,1]=4 280 B7R1.1 O=CC1=CCCC1 C69466 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.1 O=CC1CCCC1 C25963 [2,0,0,0,0,0|1,0,0]=3 282 B7R1.1 OCC1CCCC1 C23297 [2,0,0,0,0,0|1,0,1]=4 283 B7R1.1 OC[C@@H]1CCCN1 P1125 [2,0,0,0,0,0|0,0,1]=3 284 B7R1.1 OC[C@@H]1CCCN1 P1542 [2,0,0,0,0,0|0,0,1]=3 285 B7R1.1 OC[C@@H]1CCCO1 T40383 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.1 OC[C@H]1CCCN1 P14128 [2,0,0,0,0,0|0,0,1]=3 287 B7R1.1 OC[C@H]1CCCN1 P67898 [2,0,0,0,0,0|0,0,1]=3 288 B7R1.1 OC[C@H]1CCCO1 T67581 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.1 OC[C@H]1CCCO1 T68627 [2,0,0,0,0,0|1,0,1]=4 290 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [2,0,0,0,0,0|0,0,1]=3 292 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [2,0,0,0,0,0|0,0,1]=3 293 B7R1.2 NC1CCC(O)C1 A1764 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [2,0,0,0,0,0|2,0,0]=4 295 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [2,0,0,0,0,0|2,0,0]=4 296 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [2,0,0,0,0,0|2,0,0]=4 297 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [2,0,0,0,0,0|1,0,1]=4 298 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [2,0,0,0,0,0|1,0,1]=4 299 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [2,0,0,0,0,0|1,0,1]=4 300 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [2,0,0,0,0,0|1,0,1]=4 301 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [2,0,0,0,0,0|2,0,0]=4 302 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [2,0,0,0,0,0|2,0,0]=4 303 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [2,0,0,0,0,0|2,0,0]=4 304 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [2,0,0,0,0,0|1,0,1]=4 305 B7R1.2 O=C1CC[C@H](O)C1 H22750 [2,0,0,0,0,0|1,0,1]=4 306 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [2,0,0,0,0,0|0,0,1]=3 307 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [2,0,0,0,0,0|0,1,1]=4 308 B7R1.2 O=C1C[C@H](O)CN1 H15629 [2,0,0,0,0,0|0,0,1]=3 309 B7R1.2 O=C1C[C@H](O)CN1 H38056 [2,0,0,0,0,0|0,0,1]=3 310 B7R1.2 OC1CCC(O)C1 C24450 [2,0,0,0,0,0|1,0,0]=3 311 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [2,0,0,0,0,0|1,0,0]=3 312 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [2,0,0,0,0,0|1,0,0]=3 313 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,1,0,0,0|1,0,1]=4 314 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,1,1,0,0,0|0,0,2]=4 315 B9R0.11 CC(C)C[C@@](C)(N)C(=O)O A43930 [0,1,1,0,0,0|1,0,0]=3 316 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O A43931 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O A41594 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43926 [0,1,1,0,0,0|2,0,0]=4 319 B9R0.53 CC(C)C[C@H](N)CC(=O)O A43928 [0,1,1,0,0,0|2,0,0]=4 320 B9R0.53 CN(CC(=O)O)CC(=O)O M67937 [0,1,1,0,0,0|1,0,1]=4 321 B9R1.133 CC1(C)CN[C@@H](CO)C1 D43918 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.133 OC[C@@H]1CC(F)(F)CN1 H14535 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.133 OC[C@H]1CC(F)(F)CN1 H15114 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [1,1,0,0,0,0|1,0,0]=3 325 B9R1.11 COC(=O)C1=CCCC1 M43720 [1,1,0,0,0,0|1,0,1]=4 326 B9R1.11 COC(=O)C1CCCC1 M43805 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,1,0,0,0,0|0,0,0]=2 328 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.19 CC(C)(O)[C@@H]1CCCN1 P26516 [1,1,0,0,0,0|1,0,1]=4 338 B9R1.19 CC(C)(O)[C@H]1CCCN1 P46514 [1,1,0,0,0,0|1,0,1]=4 339 B9R1.19 O=S(=O)(O)C1CCCC1 C29755 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [1,1,0,0,0,0|0,0,0]=2 341 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [1,1,0,0,0,0|0,0,0]=2 342 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [1,1,0,0,0,0|0,0,0]=2 343 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [1,1,0,0,0,0|0,0,0]=2 344 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [1,1,0,0,0,0|0,0,0]=2 345 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [1,1,0,0,0,0|0,0,0]=2 346 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [1,1,0,0,0,0|1,0,0]=3 347 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [1,1,0,0,0,0|0,0,0]=2 349 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [1,1,0,0,0,0|0,0,0]=2 350 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [1,1,0,0,0,0|0,0,0]=2 351 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [1,1,0,0,0,0|0,0,0]=2 352 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [1,1,0,0,0,0|0,0,0]=2 353 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [1,1,0,0,0,0|0,0,0]=2 354 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [1,1,0,0,0,0|0,0,0]=2 355 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [1,1,0,0,0,0|0,0,0]=2 356 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [1,1,0,0,0,0|0,0,0]=2 357 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [1,1,0,0,0,0|0,0,0]=2 358 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [1,1,0,0,0,0|0,0,0]=2 359 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [1,1,0,0,0,0|0,0,0]=2 360 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [1,1,0,0,0,0|2,0,0]=4 362 B9R1.163 NC(=O)C1(N)CCCC1 A41537 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [1,1,0,0,0,0|2,0,0]=4 368 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,0,1,0|1,0,1]=4 372 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,0,1,0|0,0,2]=4 373 B9R1.82 COC(=O)C1CC(Br)C1 M10924 [0,1,0,0,1,0|1,0,0]=3 374 B9R1.82 COC(=O)C1CC(Cl)C1 M11851 [0,1,0,0,1,0|1,0,0]=3 375 B9R1.82 COC(=O)C1CC(N)C1 M13744 [0,1,0,0,1,0|1,0,0]=3 376 B9R1.82 COC(=O)C1CC(O)C1 M0318 [0,1,0,0,1,0|0,0,0]=2 377 B9R1.82 COC(=O)[C@H]1C[C@@H](N)C1 SB7472 [0,1,0,0,1,0|1,0,0]=3 378 B9R1.82 COC(=O)[C@H]1C[C@@H](O)C1 M11400 [0,1,0,0,1,0|0,0,0]=2 379 B9R1.82 COC(=O)[C@H]1C[C@H](Br)C1 M10932 [0,1,0,0,1,0|1,0,0]=3 380 B9R1.82 COC(=O)[C@H]1C[C@H](N)C1 M1703 [0,1,0,0,1,0|1,0,0]=3 381 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SB7980 [0,1,0,0,1,0|0,0,0]=2 382 B9R1.95 COC1CC(C(=O)O)C1 M11729 [0,1,0,0,1,0|0,0,0]=2 383 B9R1.95 CO[C@H]1C[C@@H](C(=O)O)C1 M11730 [0,1,0,0,1,0|0,0,0]=2 384 B9R1.95 CO[C@H]1C[C@H](C(=O)O)C1 M11731 [0,1,0,0,1,0|0,0,0]=2 385 B9R1.95 NCC1CC(C(=O)O)C1 A15397 [0,1,0,0,1,0|1,0,0]=3 386 B9R1.95 NCC1CC(C(=O)O)C1 A30087 [0,1,0,0,1,0|1,0,0]=3 387 B9R1.95 O=C(O)C1CC(CO)C1 H11330 [0,1,0,0,1,0|0,0,0]=2 388 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,1,0,0,1,0|1,0,1]=4 389 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,1,0,0,1,0|0,0,2]=4 390 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A14827 [0,1,0,0,1,0|1,0,0]=3 391 B9R1.152 C[C@]1(C(=O)O)C[C@@H](N)C1 A20733 [0,1,0,0,1,0|1,0,0]=3 392 B9R1.152 C[C@]1(C(=O)O)C[C@H](N)C1 SB7324 [0,1,0,0,1,0|1,0,0]=3 393 B9R1.152 NC1(C(=O)O)CC(F)C1 A13108 [0,1,0,0,1,0|1,0,0]=3 394 B9R1.152 N[C@]1(C(=O)O)C[C@@H](F)C1 A13111 [0,1,0,0,1,0|1,0,0]=3 395 B9R1.152 N[C@]1(C(=O)O)C[C@H](F)C1 A13110 [0,1,0,0,1,0|1,0,0]=3 396 B9R1.152 O=C(O)[C@]1(F)C[C@@H](O)C1 F59887 [0,1,0,0,1,0|0,0,0]=2 397 B9R1.152 O=C(O)[C@]1(F)C[C@H](O)C1 M59964 [0,1,0,0,1,0|0,0,0]=2 398 B9R1.152 O=C(O)[C@]1(O)C[C@@H](O)C1 D59963 [0,1,0,0,1,0|0,0,0]=2 399 B9R1.164 CC(=O)C1CC(F)(F)C1 D20631 [0,1,0,0,1,0|2,0,0]=4 400 B9R1.164 CC1(C)CC(C(=O)O)C1 D11728 [0,1,0,0,1,0|1,0,0]=3 401 B9R1.164 CC1(F)CC(C(=O)O)C1 C20596 [0,1,0,0,1,0|1,0,0]=3 402 B9R1.164 CC1(O)CC(C(=O)O)C1 H14479 [0,1,0,0,1,0|0,0,0]=2 403 B9R1.164 C[C@]1(F)C[C@@H](C(=O)O)C1 F60006 [0,1,0,0,1,0|1,0,0]=3 404 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 H11742 [0,1,0,0,1,0|0,0,0]=2 405 B9R1.164 C[C@]1(O)C[C@H](C(=O)[O-])C1 H31897 [0,1,0,0,1,0|0,0,1]=3 406 B9R1.164 O=C(O)C1CC(F)(F)C1 D6208 [0,1,0,0,1,0|1,0,0]=3 407 B9R1.164 O=C(O)C1CS(=O)(=O)C1 T37573 [0,1,0,0,1,0|1,0,1]=4 408 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,0,1,0|1,0,0]=3 409 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,0,1,0|2,0,0]=4 410 B9R1.96 CCC1CN[C@@H]1C(=O)O A30119 [0,1,0,0,1,0|1,0,0]=3 411 B9R1.166 CC1(C)CN[C@@H]1C(=O)O A30117 [0,1,0,0,1,0|1,0,0]=3 412 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,1,0,0,1,0|2,0,0]=4 413 B11R1.3 CCC1CCC(C(=O)O)CC1 E50505 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.3 CC[C@H]1CC[C@H](C(=O)O)CC1 E50506 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.3 CO[C@H]1CC[C@H](C(=O)O)CC1 M25143 [0,1,0,0,0,1|1,0,0]=3 416 B11R1.3 O=C(O)[C@H]1CC[C@@H](CO)CC1 H62147 [0,1,0,0,0,1|1,0,0]=3 417 B11R1.3 O=C(O)[C@H]1CC[C@H](CO)CC1 H24783 [0,1,0,0,0,1|1,0,0]=3 418 B11R1.22 COC(=O)C1CCC(N)CC1 M47125 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.22 COC(=O)C1CCC(O)CC1 M8610 [0,1,0,0,0,1|1,0,0]=3 420 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29475 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29476 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 M66014 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 M14678 [0,1,0,0,0,1|0,0,0]=2 424 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 M41441 [0,1,0,0,0,1|0,0,2]=4 425 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M11802 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M66013 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.22 COC(=O)[C@H]1CC[C@@H](N)CC1 M12150 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.22 COC(=O)[C@H]1CC[C@@H](O)CC1 M13282 [0,1,0,0,0,1|1,0,0]=3 429 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 M60290 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 COC(=O)[C@H]1CC[C@H](N)CC1 M1501 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.22 COC(=O)[C@H]1CC[C@H](O)CC1 M13283 [0,1,0,0,0,1|1,0,0]=3 432 B11R1.220 C[C@]1(C(=O)O)CC[C@H](O)CC1 H60197 [0,1,0,0,0,1|1,0,0]=3 433 B11R1.727 O=C(O)C1CCC(F)(F)CC1 D14122 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 D11005 [0,1,0,0,0,1|1,0,0]=3 435 B11R1.23 COC(=O)C1CC(O)CCN1 M43857 [0,1,0,0,0,1|0,0,0]=2 436 B11R1.23 COC(=O)C1CCCC(O)C1 M47101 [0,1,0,0,0,1|1,0,0]=3 437 B11R1.23 COC(=O)C1CNCC(C)C1 M9144 [0,1,0,0,0,1|1,0,0]=3 438 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 O7322 [0,1,0,0,0,1|0,0,2]=4 439 B11R1.23 COC(=O)[C@@H]1CCC[C@H](O)C1 M24974 [0,1,0,0,0,1|1,0,0]=3 440 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M11586 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.23 COC(=O)[C@@H]1CCN[C@H](C)C1 M60158 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.23 COC(=O)[C@H]1CCC[C@@H](O)C1 M20059 [0,1,0,0,0,1|1,0,0]=3 443 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C)C1 M21608 [0,1,0,0,0,1|1,0,0]=3 444 B11R1.167 CN1CCN(C)[C@H](C(=O)O)C1 D63116 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.730 O=C(O)[C@@H]1CNCC(F)(F)C1 D28091 [0,1,0,0,0,1|1,0,0]=3 446 B11R1.730 O=C(O)[C@@H]1CNCC(F)(F)C1 D37809 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.15 CCOC(=O)[C@@H]1C[C@@H](O)CN1 E62122 [0,2,0,0,0,0|0,0,0]=2 448 B11R1.15 CCOC(=O)[C@H]1C[C@H](F)CN1 E10905 [0,2,0,0,0,0|1,0,0]=3 449 B11R1.225 COC(=O)C1CC(C)CC1=O M36825 [0,2,0,0,0,0|2,0,0]=4 450 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 D8138 [0,2,0,0,0,0|1,0,0]=3 451 B11R1.866 COC(=O)[C@@H]1CC(F)(F)CN1 M11793 [0,2,0,0,0,0|1,0,0]=3 452 B11R1.866 COC(=O)[C@@H]1CCC(F)(F)C1 M14940 [0,2,0,0,0,0|2,0,0]=4 453 B11R1.866 COC(=O)[C@H]1CC(F)(F)CN1 M11792 [0,2,0,0,0,0|1,0,0]=3 454 B11R1.866 COC(=O)[C@H]1CCC(F)(F)C1 M14941 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.866 COC(=O)[C@H]1CCC(F)(F)C1 M14942 [0,2,0,0,0,0|2,0,0]=4 456 B11R1.50 CO[C@@H]1C[C@@H](C(=O)O)N(C)C1 M30173 [0,2,0,0,0,0|0,0,0]=2 457 B11R1.50 CO[C@@H]1C[C@H](C(=O)O)N(C)C1 M29557 [0,2,0,0,0,0|0,0,0]=2 458 B11R1.50 CO[C@H]1C[C@@H](C(=O)O)N(C)C1 M30115 [0,2,0,0,0,0|0,0,0]=2 459 B11R1.50 CO[C@H]1C[C@H](C(=O)O)N(C)C1 M30116 [0,2,0,0,0,0|0,0,0]=2 460 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 C23552 [0,2,0,0,0,0|1,0,0]=3 461 B11R1.175 O=C(O)[C@@H]1CN[C@H](C(=O)O)C1 P65462 [0,2,0,0,0,0|0,0,0]=2 462 B11R1.488 CN1CC(C)(C)C[C@H]1C(=O)O T29665 [0,2,0,0,0,0|1,0,0]=3 463 B11R1.738 C[C@@]1(C(=O)O)CC(F)(F)CN1 D14538 [0,2,0,0,0,0|1,0,0]=3 464 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,0,1,1,0,0|2,0,0]=4 465 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,1,1,0,0|1,0,0]=3 466 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,1,1,0,0|1,0,0]=3 467 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,0,1,1,0,0|2,0,0]=4 468 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,0,1,1,0,0|2,0,0]=4 469 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,0,1,1,0,0|1,0,0]=3 470 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,0,1,1,0,0|1,0,0]=3 471 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,0,1,1,0,0|1,0,0]=3 472 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,0,1,1,0,0|1,0,0]=3 473 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,0,1,1,0,0|2,0,0]=4 474 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,0,1,1,0,0|2,0,0]=4 475 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,0,1,1,0,0|0,0,0]=2 476 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,0,1,1,0,0|0,0,0]=2 477 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,0,1,1,0,0|0,0,0]=2 478 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,0,1,1,0,0|1,0,0]=3 479 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,1,1,0,0|1,0,0]=3 480 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,0,1,1,0,0|2,0,0]=4 481 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,0,1,1,0,0|2,0,0]=4 482 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,0,1,1,0,0|1,0,0]=3 483 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,0,1,1,0,0|1,1,0]=4 484 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,0,1,1,0,0|1,0,0]=3 485 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,0,1,1,0,0|1,0,0]=3 486 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,0,1,1,0,0|2,0,0]=4 487 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,0,1,1,0,0|2,0,0]=4 488 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,0,1,1,0,0|0,0,0]=2 489 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,0,1,1,0,0|0,0,0]=2 490 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,0,1,1,0,0|1,0,0]=3 491 B9R1.110 CC(C(=O)O)C1CCO1 X59781 [0,0,1,1,0,0|1,0,0]=3 492 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,0,1,1,0,0|2,0,0]=4 493 B9R1.119 CC[C@@]1(C(=O)O)CCO1 E60473 [0,0,1,1,0,0|1,0,0]=3 494 B9R1.179 NCCC1(C(=O)O)CC1 A29654 [0,0,1,1,0,0|2,0,0]=4 495 B9R1.179 NCCC1(C(=O)O)CC1 A31056 [0,0,1,1,0,0|2,0,0]=4 496 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,0,1,1,0,0|2,0,0]=4 497 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,0,1,1,0,0|2,0,0]=4 498 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,0,1,1,0,0|2,0,0]=4 499 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,0,1,1,0,0|2,0,0]=4 500 B9R2.39 O=C1NC2CCC1C2 A64651 [1,0,0,1,0,0|2,0,0]=4 501 B9R2.39 O=C1OC2CCC1C2 X31814 [1,0,0,1,0,0|1,0,0]=3 502 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [1,0,0,1,0,0|0,0,0]=2 503 B9R2.39 OC1CC2C=CC1C2 B43711 [1,0,0,1,0,0|2,0,0]=4 504 B9R2.39 OC1CC2CNC1C2 A31041 [1,0,0,1,0,0|1,0,1]=4 505 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [1,0,0,1,0,0|1,0,1]=4 506 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [1,0,0,1,0,0|1,0,1]=4 507 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [1,0,0,1,0,0|1,0,1]=4 508 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [1,0,0,1,0,0|1,0,1]=4 509 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [1,0,0,1,0,0|1,0,1]=4 510 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [1,0,0,1,0,0|1,0,1]=4 511 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [1,0,0,1,0,0|1,0,1]=4 512 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,1,1,0|2,0,0]=4 513 B9R2.145 O=C(O)C12CC(C1)C2 B22451 [0,0,0,1,1,0|1,0,0]=3 514 B11R2.845 O=C(O)C1CC2CNC1C2 A30141 [0,0,0,1,0,1|1,0,0]=3 515 B11R2.845 O=C(O)C1NC2CCC1C2 A15364 [0,0,0,1,0,1|2,0,0]=4 516 B11R2.845 O=C(O)[C@@H]1NC2CCC1C2 A15368 [0,0,0,1,0,1|2,0,0]=4 517 B11R2.845 O=C(O)[C@@H]1N[C@H]2CC[C@@H]1C2 A59859 [0,0,0,1,0,1|2,0,0]=4 518 B11R2.845 O=C(O)[C@H]1NC2CCC1C2 A15367 [0,0,0,1,0,1|2,0,0]=4 519 B11R2.1826 O=C(O)C12CC(CCN1)C2 A15269 [0,0,0,1,0,1|1,0,0]=3 520 B11R2.901 COC(=O)C12CC(CN1)C2 M15219 [0,1,0,1,0,0|1,0,0]=3 521 B11R2.911 COC(=O)[C@H]1NC[C@@H]2CC12 A15435 [0,1,0,1,0,0|1,0,0]=3 522 B11R2.911 COC(=O)[C@H]1NC[C@H]2C[C@H]21 A8246 [0,1,0,1,0,0|1,0,0]=3 523 B11R2.914 COC(=O)C1CC2OC2C1 M13555 [0,1,0,1,0,0|1,0,0]=3 524 B11R2.914 COC(=O)C1C[C@@H]2O[C@@H]2C1 M29970 [0,1,0,1,0,0|1,0,0]=3 525 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2CC[C@@H]21 A59770 [0,1,0,1,0,0|1,0,0]=3 526 B11R2.822 O=C(O)[C@H]1NC[C@@H]2CC[C@H]12 A59667 [0,1,0,1,0,0|1,0,0]=3 527 B11R2.1868 O=C(O)[C@@H]1CC2(CC2)CN1 A60103 [0,1,0,1,0,0|1,0,0]=3 528 B11R2.1868 O=C(O)[C@H]1CC2(CC2)CN1 A60056 [0,1,0,1,0,0|1,0,0]=3 529 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,0,1,0,1,0|1,0,0]=3 530 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,0,1,0,1,0|2,0,0]=4 531 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,0,1,0,1,0|2,0,0]=4 532 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,0,1,0,1,0|2,0,0]=4 533 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,0,1,0,1,0|0,0,0]=2 534 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,0,1,0,1,0|0,0,0]=2 535 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,0,1,0,1,0|1,0,0]=3 536 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,0,1,0,1,0|0,0,0]=2 537 B7R1.10 CNC1CC(O)C1 M10596 [1,0,0,0,1,0|2,0,0]=4 538 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [1,0,0,0,1,0|2,0,0]=4 539 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [1,0,0,0,1,0|2,0,0]=4 540 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [1,0,0,0,1,0|2,0,0]=4 541 B7R1.10 N#CC1CC(O)C1 H22204 [1,0,0,0,1,0|1,0,1]=4 542 B7R1.10 N#C[C@H]1C[C@@H](O)C1 H7468 [1,0,0,0,1,0|1,0,1]=4 543 B7R1.10 N#C[C@H]1C[C@H](O)C1 H60435 [1,0,0,0,1,0|1,0,1]=4 544 B7R1.10 NC1CC(CO)C1 A0314 [1,0,0,0,1,0|1,0,1]=4 545 B7R1.10 NC1CC(CO)C1 A12367 [1,0,0,0,1,0|1,0,1]=4 546 B7R1.10 NCC1CC(O)C1 A12368 [1,0,0,0,1,0|1,0,1]=4 547 B7R1.10 NCC1CC(O)C1 A7528 [1,0,0,0,1,0|1,0,1]=4 548 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [1,0,0,0,1,0|1,0,1]=4 549 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [1,0,0,0,1,0|1,0,1]=4 550 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [1,0,0,0,1,0|1,0,1]=4 551 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [1,0,0,0,1,0|1,0,1]=4 552 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [1,0,0,0,1,0|1,0,1]=4 553 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [1,0,0,0,1,0|1,0,1]=4 554 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [1,0,0,0,1,0|1,0,1]=4 555 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [1,0,0,0,1,0|1,0,1]=4 556 B7R1.10 OCC1CC(Cl)C1 C11852 [1,0,0,0,1,0|1,0,1]=4 557 B7R1.10 OCC1CC(F)C1 F31669 [1,0,0,0,1,0|1,0,1]=4 558 B7R1.10 OCC1CC(O)C1 H40382 [1,0,0,0,1,0|0,0,1]=3 559 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,0,1,0|1,0,0]=3 560 B7R1.18 CC(=O)C1CNC1 A18542 [1,0,0,0,1,0|2,0,0]=4 561 B7R1.18 N=C(N)C1CCC1 C11379 [1,0,0,0,1,0|2,0,0]=4 562 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,0,1,0|1,0,0]=3 563 B7R1.18 NC(=O)C1CNC1 A0189 [1,0,0,0,1,0|2,0,0]=4 564 B7R1.18 NC(=O)C1CNC1 A10232 [1,0,0,0,1,0|2,0,0]=4 565 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,0,1,0|0,0,0]=2 566 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,0,1,0|1,0,0]=3 567 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,0,1,0|1,0,0]=3 568 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,0,1,0|0,0,0]=2 569 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,0,1,0|0,0,0]=2 570 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,0,1,0|1,0,0]=3 571 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,0,1,0|1,0,0]=3 572 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,0,1,0|0,0,0]=2 573 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,0,1,0|0,0,0]=2 574 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,0,1,0|1,0,0]=3 575 B7R1.18 OB(O)C1CCC1 C38656 [1,0,0,0,1,0|1,0,1]=4 576 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,0,2,0|1,0,0]=3 577 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,0,2,0|1,0,0]=3 578 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,0,2,0|1,0,0]=3 579 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,0,2,0|1,0,0]=3 580 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,0,2,0|1,0,0]=3 581 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,0,2,0|1,0,0]=3 582 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,0,2,0|1,0,0]=3 583 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,0,2,0|1,0,0]=3 584 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,0,2,0|1,0,0]=3 585 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,0,2,0|1,0,0]=3 586 B9R1.13 O=C(Cl)OC1CCCC1 C43402 [1,0,0,0,0,1|2,0,0]=4 587 B9R1.13 O=C(O)CC1CCCC1 C16642 [1,0,0,0,0,1|1,0,0]=3 588 B9R1.13 O=C(O)CN1CCCC1 P41503 [1,0,0,0,0,1|2,0,0]=4 589 B9R1.13 O=C(O)CN1CCCC1 P43441 [1,0,0,0,0,1|2,0,0]=4 590 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [1,0,0,0,0,1|0,0,0]=2 591 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [1,0,0,0,0,1|0,0,0]=2 592 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [1,0,0,0,0,1|2,0,0]=4 593 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [1,0,0,0,0,1|0,0,0]=2 594 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [1,0,0,0,0,1|0,0,0]=2 595 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [1,0,0,0,0,1|0,0,0]=2 596 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [1,0,0,0,0,1|2,0,0]=4 597 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [1,0,0,0,0,1|2,0,0]=4 598 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [1,0,0,0,0,1|2,0,0]=4 599 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [1,0,0,0,0,1|2,0,0]=4 600 B11R1.20 CC(=O)N[C@H]1CC[C@H](O)CC1 H47124 [0,0,0,0,0,2|2,0,0]=4 601 B11R1.20 CC1CCC(CC(=O)O)CC1 M63198 [0,0,0,0,0,2|2,0,0]=4 602 B11R1.20 N[C@H]1CC[C@H](CC(=O)O)CC1 A25282 [0,0,0,0,0,2|2,0,0]=4 603 B11R1.20 O=C(O)CC1CCC(O)CC1 H39090 [0,0,0,0,0,2|1,0,0]=3