0 B9R1.35 CC(=O)N1C=CC(=O)N1 A41035 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.35 CC1=CC=C(C(=O)O)N1 M36732 [0,0,0,0,0,0|1,0,3]=4 5 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M14179 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.35 CN1CC[C@@H](C(=O)O)C1 M27617 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 CN1CC[C@H](C(=O)O)C1 M11319 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.35 CN1CC[C@H](C(=O)O)C1 M23984 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 CN1CC[C@H](C(=O)O)C1 M7624 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,0,0,0,0,0|1,0,1]=2 12 B9R1.35 NC1=NN=C(C(=O)O)N1 A39136 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.35 NC1=N[C@H](C(=O)O)CS1 A61601 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,0,0,0,0,0|2,0,1]=3 15 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,0,0,0,0,0|2,0,1]=3 16 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,0,0,0,0,0|3,0,1]=4 22 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,0,0,0,0,0|2,1,1]=4 31 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,0,0,0,0,0|3,0,1]=4 33 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,0,0,0,0,0|2,0,2]=4 34 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,0,0,0,0,0|2,1,1]=4 35 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,0,0,0,0,0|2,0,2]=4 42 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,0,0,0,0,0|1,0,0]=1 43 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,0,0,0,0,0|1,0,0]=1 44 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,0,0,0,0,0|1,0,0]=1 45 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,0,0,0,0,0|1,0,0]=1 46 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,0,0,0,0,0|1,0,0]=1 47 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,0,0,0,0,0|1,0,0]=1 48 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,0,0,0,0,0|1,0,0]=1 49 B9R1.35 O=C1CN[C@H](C(=O)O)C1 X30036 [0,0,0,0,0,0|2,0,0]=2 50 B9R1.35 O=C1C[C@H](C(=O)O)CN1 X13558 [0,0,0,0,0,0|2,0,0]=2 51 B9R1.35 O=C1NC=C(C(=O)O)N1 X40079 [0,0,0,0,0,0|1,0,2]=3 52 B9R1.35 O=C1N[C@H](C(F)F)CO1 D59979 [0,0,0,0,0,0|3,0,1]=4 53 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [1,0,0,0,0,0|1,0,1]=3 57 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [1,0,0,0,0,0|0,0,1]=2 60 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [1,0,0,0,0,0|1,0,1]=3 62 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [1,0,0,0,0,0|1,0,1]=3 64 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [1,0,0,0,0,0|0,0,1]=2 66 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [1,0,0,0,0,0|0,0,1]=2 67 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [1,0,0,0,0,0|1,0,1]=3 68 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [1,0,0,0,0,0|2,0,1]=4 70 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [1,0,0,0,0,0|1,0,1]=3 73 B8R1.7 CC(=O)C1CCCC1 C69351 [1,0,0,0,0,0|2,0,1]=4 74 B8R1.7 CC(=O)[C@H]1NCCS1 T41381 [1,0,0,0,0,0|2,0,1]=4 75 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [1,0,0,0,0,0|2,0,1]=4 76 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [1,0,0,0,0,0|1,0,1]=3 78 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.7 NC(=O)[C@@H]1CCNC1 P0296 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.7 NC(=O)[C@H]1CCNC1 P0295 [1,0,0,0,0,0|3,0,0]=4 82 B8R1.7 NC(=O)[C@H]1CCNC1 P1146 [1,0,0,0,0,0|3,0,0]=4 83 B8R1.7 NC(=O)[C@H]1CCNC1 P7510 [1,0,0,0,0,0|3,0,0]=4 84 B8R1.7 NC(=O)[C@H]1CCNC1 P7511 [1,0,0,0,0,0|3,0,0]=4 85 B8R1.7 NC(=O)[C@H]1CCOC1 T11900 [1,0,0,0,0,0|3,0,0]=4 86 B8R1.7 O=C(Cl)[C@H]1CCOC1 T41177 [1,0,0,0,0,0|3,0,0]=4 87 B8R1.7 O=C(O)C1=CC=CN1 P24658 [1,0,0,0,0,0|0,0,3]=4 88 B8R1.7 O=C(O)C1=CCCC1 C43305 [1,0,0,0,0,0|1,0,2]=4 89 B8R1.7 O=C(O)C1=COCC1 D8190 [1,0,0,0,0,0|2,0,1]=4 90 B8R1.7 O=C(O)C1=NC=CN1 I37951 [1,0,0,0,0,0|1,0,2]=4 91 B8R1.7 O=C(O)C1CC=CC1 C11537 [1,0,0,0,0,0|1,0,1]=3 92 B8R1.7 O=C(O)C1CCCC1 C23144 [1,0,0,0,0,0|1,0,1]=3 93 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41170 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.7 O=C(O)[C@@H]1C=CCN1 D41356 [1,0,0,0,0,0|2,0,0]=3 95 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [1,0,0,0,0,0|0,0,1]=2 96 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [1,0,0,0,0,0|1,0,1]=3 97 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [1,0,0,0,0,0|1,0,1]=3 98 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [1,0,0,0,0,0|1,0,1]=3 99 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [1,0,0,0,0,0|1,0,1]=3 103 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [1,0,0,0,0,0|1,0,1]=3 104 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [1,0,0,0,0,0|2,0,0]=3 105 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [1,0,0,0,0,0|2,0,0]=3 106 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [1,0,0,0,0,0|2,0,0]=3 107 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [1,0,0,0,0,0|2,0,0]=3 108 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [1,0,0,0,0,0|2,0,0]=3 109 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [1,0,0,0,0,0|2,0,0]=3 110 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [1,0,0,0,0,0|1,0,1]=3 111 B10R1.14 COC(=O)C1=CC(=O)CC1 M46257 [0,1,0,0,0,0|1,0,1]=3 112 B10R1.14 COC(=O)C1=CNC(=O)N1 M41045 [0,1,0,0,0,0|1,0,2]=4 113 B10R1.14 COC(=O)C1CCC(Br)C1 M59847 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.14 COC(=O)C1CCC(N)C1 C13729 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.14 COC(=O)N1CCC(=O)C1 M43388 [0,1,0,0,0,0|2,0,0]=3 116 B10R1.14 COC(=O)[C@@H]1CC(=O)CO1 M43316 [0,1,0,0,0,0|2,0,0]=3 117 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 M14939 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M10758 [0,1,0,0,0,0|0,0,0]=1 119 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 M6847 [0,1,0,0,0,0|0,0,0]=1 120 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 M14936 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 M25442 [0,1,0,0,0,0|1,0,2]=4 122 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 M14934 [0,1,0,0,0,0|2,0,1]=4 123 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 M60218 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 M5245 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 M14938 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 O3033 [0,1,0,0,0,0|1,0,0]=2 127 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 M63312 [0,1,0,0,0,0|0,0,0]=1 128 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 M14935 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 M15680 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 M14937 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.194 CN1C(=O)CC[C@@H]1C(=O)O M43389 [0,1,0,0,0,0|0,0,0]=1 132 B10R1.194 CN1C(=O)CC[C@H]1C(=O)O M43390 [0,1,0,0,0,0|0,0,0]=1 133 B10R1.194 CN1CC[C@@H](C(=O)O)C1=O M22957 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C D30134 [0,1,0,0,0,0|1,0,1]=3 135 B10R1.194 C[C@H]1CC[C@@H](C(=O)O)N1C D30133 [0,1,0,0,0,0|1,0,1]=3 136 B10R1.359 O=C(O)[C@@H]1CCC(F)(F)C1 D14943 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.359 O=C(O)[C@@H]1CCS(=O)(=O)N1 D13170 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D14944 [0,1,0,0,0,0|2,0,1]=4 139 B10R1.359 O=C(O)[C@H]1CCC(F)(F)C1 D8067 [0,1,0,0,0,0|2,0,1]=4 140 B8R0.8 C=CCC[C@H](N)C(=O)O A41502 [0,0,1,0,0,0|1,0,0]=2 141 B8R0.8 CC#CC[C@H](N)C(=O)O A32035 [0,0,1,0,0,0|1,0,2]=4 142 B8R0.8 CCCC[C@H](N)C(=O)O A68582 [0,0,1,0,0,0|1,0,1]=3 143 B8R0.8 CSCC[C@H](N)C(=O)O M60616 [0,0,1,0,0,0|2,0,0]=3 144 B8R0.9 CC(=O)NNC(=O)CBr A66903 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.9 CC(=O)NNC(=O)CCl A60722 [0,0,1,0,0,0|3,0,0]=4 146 B8R0.9 COC(=O)CCC(=O)Cl C6883 [0,0,1,0,0,0|3,0,0]=4 147 B8R0.9 COC(=O)CCC(=O)O M37827 [0,0,1,0,0,0|2,0,0]=3 148 B8R0.9 COC(=O)NCC(=O)O M40229 [0,0,1,0,0,0|1,0,0]=2 149 B8R0.9 COC(=O)\C=C\C(=O)O M60916 [0,0,1,0,0,0|2,0,1]=4 150 B8R0.23 CC(=O)C[C@H](C)C(=O)O M14719 [0,0,1,0,0,0|1,0,0]=2 151 B8R0.23 CC(=O)N[C@H](C)C(=O)O A68583 [0,0,1,0,0,0|0,0,0]=1 152 B8R0.23 CC(=O)O[C@@H](C)C(=O)O A64092 [0,0,1,0,0,0|1,0,0]=2 153 B8R0.23 CC(=O)O[C@H](C)C(=O)O A64091 [0,0,1,0,0,0|1,0,0]=2 154 B8R0.23 C[C@@H](CC(=O)O)C(=O)O M41232 [0,0,1,0,0,0|2,0,0]=3 155 B8R0.23 N[C@@H](CC(=O)O)C(=O)O A68901 [0,0,1,0,0,0|3,0,0]=4 156 B8R0.28 CC(=O)CCCC(=O)O A41468 [0,0,1,0,0,0|1,0,0]=2 157 B8R0.28 CC(=O)NCCC(=O)O A60540 [0,0,1,0,0,0|2,0,0]=3 158 B8R0.28 CN(C)CCCC(=O)O D43497 [0,0,1,0,0,0|3,0,0]=4 159 B10R2.178 O=C1CCC2CCC1N2 A14807 [0,0,0,1,0,0|2,0,1]=4 160 B10R2.178 O=C1CCC2CCC1N2 A60094 [0,0,0,1,0,0|2,0,1]=4 161 B10R2.178 O=C1NCC2CCC1N2 D13376 [0,0,0,1,0,0|2,0,1]=4 162 B10R2.357 O=C(O)C1CC2CC2C1 B11090 [0,0,0,1,0,0|2,0,1]=4 163 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A11247 [0,0,0,1,0,0|1,0,1]=3 164 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 A13960 [0,0,0,1,0,0|1,0,1]=3 165 B8R1.23 C=C1CC(C(=O)O)C1 M10240 [0,0,0,0,1,0|2,0,0]=3 166 B8R1.23 CC1CC(C(=O)O)C1 M14949 [0,0,0,0,1,0|2,0,1]=4 167 B8R1.23 CN1CC(C(=O)O)C1 M0190 [0,0,0,0,1,0|3,0,0]=4 168 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 M10526 [0,0,0,0,1,0|2,0,1]=4 169 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 M10527 [0,0,0,0,1,0|2,0,1]=4 170 B8R1.23 NC1CC(C(=O)O)C1 A12181 [0,0,0,0,1,0|2,0,1]=4 171 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 A0232 [0,0,0,0,1,0|2,0,1]=4 172 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SB7470 [0,0,0,0,1,0|2,0,1]=4 173 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 A0233 [0,0,0,0,1,0|2,0,1]=4 174 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 SB7471 [0,0,0,0,1,0|2,0,1]=4 175 B8R1.23 O=C(O)C1CC(Cl)C1 C15268 [0,0,0,0,1,0|2,0,1]=4 176 B8R1.23 O=C(O)C1CC(F)C1 F0317 [0,0,0,0,1,0|2,0,1]=4 177 B8R1.23 O=C(O)C1CC(O)C1 H12369 [0,0,0,0,1,0|1,0,2]=4 178 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 F59936 [0,0,0,0,1,0|2,0,1]=4 179 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 H11727 [0,0,0,0,1,0|1,0,2]=4 180 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 C29816 [0,0,0,0,1,0|2,0,1]=4 181 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 F60295 [0,0,0,0,1,0|2,0,1]=4 182 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 H14950 [0,0,0,0,1,0|1,0,2]=4 183 B8R1.23 O=C1CC(C(=O)O)C1 X1338 [0,0,0,0,1,0|1,0,0]=2 184 B8R1.23 O=C1C[C@@H](C(=O)O)N1 X14543 [0,0,0,0,1,0|0,0,0]=1 185 B8R1.31 CC1NCC1C(=O)O M27890 [0,0,0,0,1,0|2,0,1]=4 186 B8R1.31 CN1CC[C@@H]1C(=O)O M22677 [0,0,0,0,1,0|2,0,0]=3 187 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O A30118 [0,0,0,0,1,0|2,0,1]=4 188 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O A13712 [0,0,0,0,1,0|1,0,1]=3 189 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O A13711 [0,0,0,0,1,0|1,0,1]=3 190 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O A13334 [0,0,0,0,1,0|1,0,1]=3 191 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A13518 [0,0,0,0,1,0|1,0,1]=3 192 B8R1.31 N[C@H]1CC[C@H]1C(=O)O A29882 [0,0,0,0,1,0|1,0,1]=3 193 B8R1.31 O=C(O)C1CCC1F F59749 [0,0,0,0,1,0|1,0,1]=3 194 B8R1.31 O=C(O)[C@@H]1CNC1=O X11510 [0,0,0,0,1,0|1,0,0]=2 195 B10R1.13 CC(=O)N1CCC(=O)CC1 A38504 [0,0,0,0,0,1|3,0,0]=4 196 B10R1.13 CC1CCC(C(=O)O)CC1 M47086 [0,0,0,0,0,1|2,0,1]=4 197 B10R1.13 CN1CCC(C(=O)O)CC1 M3857 [0,0,0,0,0,1|3,0,0]=4 198 B10R1.13 CN1CCC(C(=O)O)CC1 M46487 [0,0,0,0,0,1|3,0,0]=4 199 B10R1.13 C[C@H]1CC[C@H](C(=O)O)CC1 M47088 [0,0,0,0,0,1|2,0,1]=4 200 B10R1.13 NC(=O)C1CCC(=O)CC1 X69547 [0,0,0,0,0,1|2,0,0]=3 201 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A17080 [0,0,0,0,0,1|2,0,1]=4 202 B10R1.13 N[C@H]1CC[C@@H](C(=O)O)CC1 A8201 [0,0,0,0,0,1|2,0,1]=4 203 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A15622 [0,0,0,0,0,1|2,0,1]=4 204 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 T1863 [0,0,0,0,0,1|2,0,1]=4 205 B10R1.13 O=C(O)C1CCC(F)CC1 F30022 [0,0,0,0,0,1|2,0,1]=4 206 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H11578 [0,0,0,0,0,1|0,0,2]=3 207 B10R1.13 O=C(O)[C@@H]1CC[C@H](O)CN1 H20354 [0,0,0,0,0,1|0,0,2]=3 208 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 H13281 [0,0,0,0,0,1|1,0,2]=4 209 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H15603 [0,0,0,0,0,1|0,0,2]=3 210 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CN1 H21751 [0,0,0,0,0,1|0,0,2]=3 211 B10R1.13 O=C(O)[C@H]1CC[C@H](O)CC1 H13280 [0,0,0,0,0,1|1,0,2]=4 212 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [0,0,0,0,0,1|0,0,3]=4 213 B10R1.13 O=C1C=C[C@@H](C(=O)O)N=N1 X40762 [0,0,0,0,0,1|0,0,3]=4 214 B10R1.13 O=C1CCC(C(=O)O)=NN1 X61638 [0,0,0,0,0,1|0,0,1]=2 215 B10R1.13 O=C1CCC(C(=O)O)CC1 X12147 [0,0,0,0,0,1|1,0,0]=2 216 B10R1.13 O=C1CC[C@@H](C(=O)O)NC1 X1308 [0,0,0,0,0,1|0,0,0]=1 217 B10R1.13 O=C1CC[C@H](C(=O)O)CN1 X1728 [0,0,0,0,0,1|0,0,0]=1 218 B10R1.13 O=C1CN[C@H](C(=O)O)CN1 X41365 [0,0,0,0,0,1|1,0,0]=2 219 B10R1.54 O=C1CC[C@H](C[N+](=O)[O-])C1 N43386 [0,0,0,0,0,1|2,0,1]=4 220 B10R1.113 CC1CCCC(C(=O)O)N1 M43847 [0,0,0,0,0,1|1,0,1]=3 221 B10R1.113 CN1CCC[C@H](C(=O)O)C1 M12564 [0,0,0,0,0,1|3,0,0]=4 222 B10R1.113 C[C@@H]1CCN[C@@H](C(=O)O)C1 M25194 [0,0,0,0,0,1|2,0,1]=4 223 B10R1.113 C[C@@H]1CNC[C@H](C(=O)O)C1 M59674 [0,0,0,0,0,1|2,0,1]=4 224 B10R1.113 C[C@H]1CNC[C@@H](C(=O)O)C1 M59675 [0,0,0,0,0,1|2,0,1]=4 225 B10R1.113 C[C@H]1CNC[C@H](C(=O)O)C1 M59698 [0,0,0,0,0,1|2,0,1]=4 226 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A15487 [0,0,0,0,0,1|2,0,1]=4 227 B10R1.113 N[C@@H]1CCC[C@@H](C(=O)O)C1 A27720 [0,0,0,0,0,1|2,0,1]=4 228 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 A27835 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A13773 [0,0,0,0,0,1|2,0,1]=4 230 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A15702 [0,0,0,0,0,1|2,0,1]=4 231 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A27836 [0,0,0,0,0,1|2,0,1]=4 232 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 A46492 [0,0,0,0,0,1|2,0,1]=4 233 B10R1.113 N[C@H]1CCC[C@H](C(=O)O)C1 A27837 [0,0,0,0,0,1|2,0,1]=4 234 B10R1.113 O=C(O)C1CC(O)CCN1 H36833 [0,0,0,0,0,1|1,0,2]=4 235 B10R1.113 O=C(O)C1CCCC(O)C1 H43817 [0,0,0,0,0,1|1,0,2]=4 236 B10R1.113 O=C(O)[C@H]1C[C@H](O)CCN1 H43459 [0,0,0,0,0,1|1,0,2]=4 237 B10R1.113 O=C1C=NC=C(C(=O)O)N1 X40760 [0,0,0,0,0,1|0,0,3]=4 238 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 P69097 [0,0,0,0,0,1|0,0,0]=1 239 B10R1.113 O=C1CCC[C@H](C(=O)O)C1 X43724 [0,0,0,0,0,1|1,0,0]=2 240 B10R1.113 O=C1CCC[C@H](C(=O)O)N1 X63709 [0,0,0,0,0,1|0,0,0]=1 241 B10R1.113 O=C1C[C@@H](C(=O)O)CCN1 X1724 [0,0,0,0,0,1|1,0,0]=2 242 B10R1.113 O=C1N=CC=C(C(=O)O)N1 X60835 [0,0,0,0,0,1|0,0,3]=4 243 B7R0.4 C#CCCCC(=O)O H43301 [1,0,1,0,0,0|1,0,1]=4 244 B7R0.4 CCCOCC(=O)O P40387 [1,0,1,0,0,0|1,0,1]=4 245 B7R0.4 CNCCCC(=O)O M63276 [1,0,1,0,0,0|2,0,0]=4 246 B7R0.4 COCCCC(=O)O M67387 [1,0,1,0,0,0|2,0,0]=4 247 B7R0.4 N#CCCCC(=O)O C41166 [1,0,1,0,0,0|0,0,2]=4 248 B7R0.4 O=C(O)CCCCBr B39187 [1,0,1,0,0,0|1,0,1]=4 249 B7R0.4 O=C(O)CCCCCl C39191 [1,0,1,0,0,0|1,0,1]=4 250 B7R0.4 O=C(O)CCCCO H37199 [1,0,1,0,0,0|0,0,2]=4 251 B7R0.4 O=C(O)CNCCO H40270 [1,0,1,0,0,0|1,0,1]=4 252 B7R0.4 O=C([O-])CCCCO S41306 [1,0,1,0,0,0|1,0,1]=4 253 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [1,0,1,0,0,0|0,0,2]=4 254 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [1,0,1,0,0,0|0,0,2]=4 255 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [1,0,1,0,0,0|0,0,2]=4 256 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [1,0,1,0,0,0|0,0,2]=4 257 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [1,0,1,0,0,0|0,0,2]=4 258 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [1,0,1,0,0,0|0,0,1]=3 259 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [1,0,1,0,0,0|0,0,1]=3 260 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [1,0,1,0,0,0|0,0,1]=3 261 B7R0.5 CCC[C@H](O)C(=O)O H40390 [1,0,1,0,0,0|1,0,1]=4 262 B7R0.5 COC[C@@H](N)C(=O)O A40353 [1,0,1,0,0,0|1,0,1]=4 263 B7R0.5 COC[C@@H](N)C(=O)O A61058 [1,0,1,0,0,0|1,0,1]=4 264 B7R0.5 COC[C@H](N)C(=O)O A40354 [1,0,1,0,0,0|1,0,1]=4 265 B7R0.5 COC[C@H](N)C(=O)O A67760 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [1,0,1,0,0,0|1,0,0]=3 267 B7R0.5 NCC[C@H](F)C(=O)O A63044 [1,0,1,0,0,0|2,0,0]=4 268 B7R0.5 NCC[C@H](N)C(=O)O D37858 [1,0,1,0,0,0|1,0,0]=3 269 B7R0.5 NCC[C@H](N)C(=O)O D68313 [1,0,1,0,0,0|1,0,0]=3 270 B7R0.5 NCC[C@H](O)C(=O)O A39157 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.5 NOC[C@H](N)C(=O)O A39931 [1,0,1,0,0,0|2,0,0]=4 272 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [1,0,1,0,0,0|1,0,0]=3 273 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [1,0,1,0,0,0|0,0,1]=3 274 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [1,0,1,0,0,0|0,1,0]=3 275 B7R0.5 N[C@H](CCO)C(=O)O A68363 [1,0,1,0,0,0|0,0,1]=3 276 B7R0.5 N[C@H](CCS)C(=O)O A66150 [1,0,1,0,0,0|0,1,0]=3 277 B7R0.6 CC(=O)CCC(C)=O H64912 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.6 CC(=O)CNC(C)=O X41261 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.6 NC(=O)CCC(=O)O A63078 [1,0,1,0,0,0|2,0,0]=4 280 B7R1.1 O=CC1CCCC1 C25963 [2,0,0,0,0,0|1,0,1]=4 281 B7R1.1 OC[C@@H]1CCCN1 P1125 [2,0,0,0,0,0|0,0,2]=4 282 B7R1.1 OC[C@@H]1CCCN1 P1542 [2,0,0,0,0,0|0,0,2]=4 283 B7R1.1 OC[C@H]1CCCN1 P14128 [2,0,0,0,0,0|0,0,2]=4 284 B7R1.1 OC[C@H]1CCCN1 P67898 [2,0,0,0,0,0|0,0,2]=4 285 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [2,0,0,0,0,0|1,0,1]=4 286 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [2,0,0,0,0,0|0,0,1]=3 287 B7R1.2 C[C@H]1COC(=O)N1 M40226 [2,0,0,0,0,0|1,0,1]=4 288 B7R1.2 O=C1CCC(=O)C1 C13761 [2,0,0,0,0,0|1,0,1]=4 289 B7R1.2 O=C1CC[C@H](O)C1 H22750 [2,0,0,0,0,0|1,0,0]=3 290 B7R1.2 O=C1CNC(=O)N1 K68378 [2,0,0,0,0,0|1,0,1]=4 291 B7R1.2 O=C1CSC(=O)N1 T69276 [2,0,0,0,0,0|1,0,1]=4 292 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [2,0,0,0,0,0|2,0,0]=4 293 B7R1.2 O=C1C[C@H](O)CN1 H15629 [2,0,0,0,0,0|2,0,0]=4 294 B7R1.2 O=C1C[C@H](O)CN1 H38056 [2,0,0,0,0,0|2,0,0]=4 295 B9R0.7 CC(=O)OC[C@H](N)C(=O)O A41380 [0,1,1,0,0,0|1,0,0]=3 296 B9R0.7 CC(C)CC[C@@H](N)C(=O)O A43927 [0,1,1,0,0,0|1,0,1]=4 297 B9R0.7 C[C@H](CCC(=O)O)C(=O)O M62172 [0,1,1,0,0,0|1,0,0]=3 298 B9R0.7 N=C(N)NC[C@H](N)C(=O)O A40356 [0,1,1,0,0,0|2,0,0]=4 299 B9R0.7 N[C@@H](CCC(=O)O)C(=O)O G69583 [0,1,1,0,0,0|0,0,0]=2 300 B9R0.7 O=C([O-])CC[C@@H](O)C(=O)[O-] H41308 [0,1,1,0,0,0|1,0,1]=4 301 B9R0.8 CCCC[C@H](N)C(=O)OC M46518 [0,1,1,0,0,0|1,0,1]=4 302 B9R0.47 C=CCCC[C@H](N)C(=O)O A43841 [0,1,1,0,0,0|1,0,0]=3 303 B9R0.47 C=CCSC[C@@H](N)C(=O)O A41511 [0,1,1,0,0,0|1,0,0]=3 304 B9R0.47 C=CCSC[C@H](N)C(=O)O A36718 [0,1,1,0,0,0|1,0,0]=3 305 B9R0.47 CCCCC[C@@H](N)C(=O)O A43920 [0,1,1,0,0,0|1,0,1]=4 306 B9R0.47 CCCCC[C@H](N)C(=O)O A43919 [0,1,1,0,0,0|1,0,1]=4 307 B9R0.47 CCCCC[C@H](N)C(=O)O A43921 [0,1,1,0,0,0|1,0,1]=4 308 B9R0.47 NCCCC[C@@H](N)C(=O)O L64962 [0,1,1,0,0,0|1,0,1]=4 309 B9R0.23 COC(=O)[C@@H](N)CC(=O)O A36981 [0,1,1,0,0,0|2,0,0]=4 310 B9R0.24 COC(=O)CCC(=O)CN M68150 [0,1,1,0,0,0|2,0,0]=4 311 B9R0.48 CCOC(=O)CCC(C)=O E36601 [0,1,1,0,0,0|2,0,0]=4 312 B9R0.39 CC[C@@H](NC(C)=O)C(=O)O A41513 [0,1,1,0,0,0|0,0,0]=2 313 B9R0.11 CC(=O)OC(C)(C)C(=O)Cl C38568 [0,1,1,0,0,0|2,0,0]=4 314 B9R0.11 CC(C)(CC(=O)O)C(=O)O D68876 [0,1,1,0,0,0|2,0,0]=4 315 B9R0.1 C=C(C)CCCC(=O)OC M47085 [0,1,1,0,0,0|2,0,0]=4 316 B9R0.1 COC(=O)CCCC(=O)Cl M43405 [0,1,1,0,0,0|1,0,0]=3 317 B9R0.1 COC(=O)CCCC(=O)O M37961 [0,1,1,0,0,0|1,0,0]=3 318 B9R0.1 COC(=O)CCCC(C)=O M62839 [0,1,1,0,0,0|1,0,0]=3 319 B9R0.53 CN(CC(=O)O)CC(=O)O M67937 [0,1,1,0,0,0|2,0,0]=4 320 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [1,1,0,0,0,0|1,0,1]=4 321 B9R1.11 CNC(=O)[C@@H]1CCCN1 M43471 [1,1,0,0,0,0|1,0,1]=4 322 B9R1.11 COC(=O)C1CC=CC1 M13554 [1,1,0,0,0,0|1,0,1]=4 323 B9R1.11 COC(=O)C1CCCC1 M43805 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [1,1,0,0,0,0|0,0,1]=3 325 B9R1.11 COC(=O)[C@@H]1CCNC1 M20211 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.11 COC(=O)[C@@H]1CCNC1 M25987 [1,1,0,0,0,0|2,0,0]=4 327 B9R1.11 COC(=O)[C@@H]1CCOC1 M10323 [1,1,0,0,0,0|2,0,0]=4 328 B9R1.11 COC(=O)[C@H]1CCNC1 E6960 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.11 COC(=O)[C@H]1CCNC1 M10274 [1,1,0,0,0,0|2,0,0]=4 330 B9R1.11 COC(=O)[C@H]1CCNC1 M20204 [1,1,0,0,0,0|2,0,0]=4 331 B9R1.11 COC(=O)[C@H]1CCNC1 P12312 [1,1,0,0,0,0|2,0,0]=4 332 B9R1.11 COC(=O)[C@H]1CCOC1 M12450 [1,1,0,0,0,0|2,0,0]=4 333 B9R1.11 COC(=O)[C@H]1CCOC1 M7564 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [1,1,0,0,0,0|0,0,1]=3 335 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [1,1,0,0,0,0|0,0,1]=3 336 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [1,1,0,0,0,0|0,0,1]=3 337 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [1,1,0,0,0,0|0,0,1]=3 338 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [1,1,0,0,0,0|0,0,1]=3 339 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [1,1,0,0,0,0|0,0,1]=3 340 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [1,1,0,0,0,0|1,0,1]=4 341 B9R1.41 O=C(O)[C@@H]1CCNC1=O X15532 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [1,1,0,0,0,0|0,0,1]=3 343 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [1,1,0,0,0,0|0,0,1]=3 344 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [1,1,0,0,0,0|0,0,1]=3 345 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [1,1,0,0,0,0|0,0,1]=3 346 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [1,1,0,0,0,0|0,0,1]=3 347 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [1,1,0,0,0,0|0,0,1]=3 348 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [1,1,0,0,0,0|0,0,1]=3 349 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [1,1,0,0,0,0|0,0,1]=3 350 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [1,1,0,0,0,0|0,0,1]=3 351 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [1,1,0,0,0,0|0,0,1]=3 352 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [1,1,0,0,0,0|0,0,1]=3 353 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [1,1,0,0,0,0|0,0,1]=3 354 B9R1.163 C[C@]1(C(=O)O)CCNC1 M62974 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.163 C[C@]1(C(=O)O)CCOC1 M11773 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.163 N[C@@]1(C(=O)O)CCNC1 A65489 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A0696 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A60223 [1,1,0,0,0,0|2,0,0]=4 359 B9R1.163 N[C@@]1(C(=O)O)CCOC1 A64109 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.163 N[C@]1(C(=O)O)CCOC1 A60224 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [1,1,0,0,0,0|1,0,1]=4 362 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.163 O=C(O)[C@]1(F)CCNC1 F14431 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.82 C=C1CC(C(=O)OC)C1 M12361 [0,1,0,0,1,0|2,0,0]=4 365 B9R1.82 COC(=O)C1CC(=O)C1 M0192 [0,1,0,0,1,0|1,0,0]=3 366 B9R1.152 C=C1CC(C)(C(=O)O)C1 M15409 [0,1,0,0,1,0|2,0,0]=4 367 B9R1.152 CC1(C(=O)O)CC(=O)C1 M11657 [0,1,0,0,1,0|1,0,0]=3 368 B9R1.164 O=C(O)C1CS(=O)(=O)C1 T37573 [0,1,0,0,1,0|2,0,0]=4 369 B9R1.52 CC1CN(C)[C@@H]1C(=O)O A30111 [0,1,0,0,1,0|2,0,0]=4 370 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N M10731 [0,1,0,0,1,0|1,0,1]=4 371 B9R1.96 CCN1CC[C@H]1C(=O)O E29784 [0,1,0,0,1,0|2,0,0]=4 372 B9R1.166 O=C(O)[C@H]1CCC1(F)F D59690 [0,1,0,0,1,0|1,0,1]=4 373 B11R1.3 O=CN1CCC(C(=O)O)CC1 F11011 [0,1,0,0,0,1|2,0,0]=4 374 B11R1.21 CN1C[C@@H](C(=O)O)CCC1=O M12741 [0,1,0,0,0,1|0,0,0]=2 375 B11R1.22 COC(=O)C1CCC(=O)CC1 M47024 [0,1,0,0,0,1|1,0,0]=3 376 B11R1.22 COC(=O)N1CCC(=O)CC1 M43780 [0,1,0,0,0,1|2,0,0]=4 377 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29475 [0,1,0,0,0,1|1,0,1]=4 378 B11R1.22 COC(=O)[C@@H]1CC[C@@H](C)NC1 M29476 [0,1,0,0,0,1|1,0,1]=4 379 B11R1.22 COC(=O)[C@@H]1CC[C@H](C)NC1 M66014 [0,1,0,0,0,1|1,0,1]=4 380 B11R1.22 COC(=O)[C@@H]1CC[C@H](O)CN1 M14678 [0,1,0,0,0,1|0,0,2]=4 381 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 M41441 [0,1,0,0,0,1|1,0,0]=3 382 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 M0586 [0,1,0,0,0,1|0,0,0]=2 383 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M11802 [0,1,0,0,0,1|1,0,1]=4 384 B11R1.22 COC(=O)[C@H]1CC[C@@H](C)NC1 M66013 [0,1,0,0,0,1|1,0,1]=4 385 B11R1.22 COC(=O)[C@H]1CC[C@H](C)NC1 M60290 [0,1,0,0,0,1|1,0,1]=4 386 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O M59967 [0,1,0,0,0,1|1,0,0]=3 387 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O M60235 [0,1,0,0,0,1|1,0,0]=3 388 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 M22599 [0,1,0,0,0,1|1,0,0]=3 389 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 D8036 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.727 O=C(O)[C@@H]1CCC(F)(F)CN1 D11005 [0,1,0,0,0,1|1,0,1]=4 391 B11R1.645 O=C(O)C[C@@H]1NC(=O)NC1=O D69062 [0,1,0,0,0,1|1,0,1]=4 392 B11R1.23 COC(=O)C1=CC(=O)CCC1 M46843 [0,1,0,0,0,1|1,0,1]=4 393 B11R1.23 COC(=O)[C@@H]1CC(=O)CCN1 O7322 [0,1,0,0,0,1|1,0,0]=3 394 B11R1.23 COC(=O)[C@@H]1CNCC(=O)N1 M41440 [0,1,0,0,0,1|0,0,0]=2 395 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 M47023 [0,1,0,0,0,1|1,0,0]=3 396 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 M7686 [0,1,0,0,0,1|1,0,0]=3 397 B11R1.74 O=C1CC(=O)CC(C(=O)O)C1 D62166 [0,1,0,0,0,1|1,0,0]=3 398 B11R1.15 CCOC(=O)N1CCC(=O)C1 E1177 [0,2,0,0,0,0|2,0,0]=4 399 B11R1.15 CCOC(=O)[C@@H]1CCC(=O)N1 P69422 [0,2,0,0,0,0|0,0,0]=2 400 B11R1.15 CCOC(=O)[C@@H]1CNC(=O)C1 E43778 [0,2,0,0,0,0|2,0,0]=4 401 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 E11055 [0,2,0,0,0,0|1,0,0]=3 402 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 E38583 [0,2,0,0,0,0|0,0,0]=2 403 B11R1.226 COC(=O)C1CC(=O)C(Br)C1 M37161 [0,2,0,0,0,0|1,0,0]=3 404 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 C23552 [0,2,0,0,0,0|1,0,1]=4 405 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C11079 [0,0,1,1,0,0|2,0,0]=4 406 B9R1.6 O=C(O)[C@@H]1CC=CCC1 C68354 [0,0,1,1,0,0|2,0,0]=4 407 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,0,1,1,0,0|1,0,1]=4 408 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,0,1,1,0,0|1,0,1]=4 409 B9R1.6 O=C(O)[C@H]1CC=CCC1 C11080 [0,0,1,1,0,0|2,0,0]=4 410 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,0,1,1,0,0|1,0,1]=4 411 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,0,1,1,0,0|2,0,0]=4 412 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,0,1,1,0,0|1,0,0]=3 413 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,0,1,1,0,0|1,0,0]=3 414 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,0,1,1,0,0|2,0,0]=4 415 B9R1.110 N[C@@H](C(=O)O)C1CCC1 A12996 [0,0,1,1,0,0|1,0,1]=4 416 B9R1.110 N[C@@H](C(=O)O)C1COC1 A8466 [0,0,1,1,0,0|2,0,0]=4 417 B9R1.110 N[C@H](C(=O)O)C1CCC1 A10555 [0,0,1,1,0,0|1,0,1]=4 418 B9R1.110 N[C@H](C(=O)O)C1CCC1 A12995 [0,0,1,1,0,0|1,0,1]=4 419 B9R1.110 N[C@H](C(=O)O)C1COC1 A8464 [0,0,1,1,0,0|2,0,0]=4 420 B9R1.110 N[C@H](C(=O)O)C1COC1 A8465 [0,0,1,1,0,0|2,0,0]=4 421 B9R1.112 N[C@@H](CC1CC1)C(=O)O A41508 [0,0,1,1,0,0|1,0,1]=4 422 B9R1.112 N[C@H](CC1CC1)C(=O)O C68587 [0,0,1,1,0,0|1,0,1]=4 423 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,1,1,0,0|1,0,1]=4 424 B9R1.161 NC(=O)C1CC1C(=O)O C29921 [0,0,1,1,0,0|2,0,0]=4 425 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O C29917 [0,0,1,1,0,0|2,0,0]=4 426 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O C29916 [0,0,1,1,0,0|2,0,0]=4 427 B9R1.53 CC(=O)O[C@H]1CC(=O)N1 A15221 [0,0,1,1,0,0|2,0,0]=4 428 B9R1.53 NC1CC(CC(=O)O)C1 A11674 [0,0,1,1,0,0|1,0,1]=4 429 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A11675 [0,0,1,1,0,0|1,0,1]=4 430 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 A14838 [0,0,1,1,0,0|1,0,1]=4 431 B9R1.53 N[C@H]1C[C@H](CC(=O)O)C1 A11676 [0,0,1,1,0,0|1,0,1]=4 432 B9R2.39 O=C1NC2C=CC1C2 A0848 [1,0,0,1,0,0|1,0,0]=3 433 B9R2.39 O=C1NC2CCC1C2 A64651 [1,0,0,1,0,0|1,0,1]=4 434 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [1,0,0,1,0,0|1,0,0]=3 435 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [1,0,0,1,0,0|1,0,0]=3 436 B11R2.139 O=C1CC2CC(=O)CC2C1 T38856 [0,0,0,1,0,1|2,0,0]=4 437 B11R2.139 O=C1CC2CC(=O)CC2C1 T46834 [0,0,0,1,0,1|2,0,0]=4 438 B7R1.8 O=C1CC[C@@H]1CO H13228 [1,0,0,0,1,0|0,0,1]=3 439 B7R1.10 O=C1CC(CO)C1 H0725 [1,0,0,0,1,0|1,0,1]=4 440 B7R1.18 CC(=O)C1CCC1 C22926 [1,0,0,0,1,0|1,0,1]=4 441 B7R1.18 NC(=O)C1CCC1 C36760 [1,0,0,0,1,0|1,0,1]=4 442 B7R1.18 O=C(O)C1CCC1 C39184 [1,0,0,0,1,0|0,0,1]=3 443 B7R1.18 O=C(O)C1CNC1 A0022 [1,0,0,0,1,0|1,0,1]=4 444 B7R1.18 O=C(O)C1CNC1 A62344 [1,0,0,0,1,0|1,0,1]=4 445 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [1,0,0,0,1,0|0,0,0]=2 446 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [1,0,0,0,1,0|0,0,0]=2 447 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [1,0,0,0,1,0|1,0,0]=3 448 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [1,0,0,0,1,0|1,0,0]=3 449 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [1,0,0,0,1,0|0,0,0]=2 450 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [1,0,0,0,1,0|0,0,0]=2 451 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [1,0,0,0,1,0|1,0,0]=3 452 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,0,0,2,0|1,0,1]=4 453 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,0,0,2,0|1,0,1]=4 454 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,0,0,2,0|1,0,1]=4 455 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,0,0,2,0|1,0,1]=4 456 B7R1.12 O=C(O)C1CC1F F20460 [0,0,0,0,2,0|1,0,1]=4 457 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,0,0,0,2,0|1,0,1]=4 458 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,0,0,0,2,0|1,0,1]=4 459 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,0,0,0,2,0|1,0,1]=4 460 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,0,0,0,2,0|1,0,1]=4 461 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,0,0,0,2,0|1,0,1]=4 462 B9R0.55 CC(=O)CCCCC(=O)O A43811 [0,0,1,0,0,1|1,0,0]=3 463 B9R0.55 CC(=O)CCCOC(C)=O X62778 [0,0,1,0,0,1|2,0,0]=4 464 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [1,0,0,0,0,1|1,0,1]=4 465 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [1,0,0,0,0,1|0,0,1]=3 466 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [1,0,0,0,0,1|1,0,1]=4 467 B9R1.13 O=C(O)CC1CCCC1 C16642 [1,0,0,0,0,1|1,0,1]=4 468 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [1,0,0,0,0,1|0,0,1]=3 469 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [1,0,0,0,0,1|0,0,1]=3 470 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [1,0,0,0,0,1|2,0,0]=4 471 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [1,0,0,0,0,1|0,0,1]=3 472 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [1,0,0,0,0,1|0,0,1]=3 473 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [1,0,0,0,0,1|0,0,1]=3 474 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [1,0,0,0,0,1|2,0,0]=4 475 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [1,0,0,0,0,1|2,0,0]=4 476 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [1,0,0,0,0,1|2,0,0]=4 477 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [1,0,0,0,0,1|2,0,0]=4 478 B11R1.20 CC(=O)OC1CCC(=O)CC1 X47022 [0,0,0,0,0,2|2,0,0]=4 479 B11R1.20 O=C(O)CN1CCC(=O)CC1 X43776 [0,0,0,0,0,2|2,0,0]=4