0 B9R1.35 CC1=CC=C(C(=O)O)N1 SC-94836 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 NC1=NC(C(=O)O)CS1 SC-62540 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,0,0,0|2,0,1]=3 5 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,0,0,0|2,0,2]=4 14 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,0,0,0|1,0,2]=3 16 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,0,0,0|2,0,2]=4 18 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,0,0,0|2,0,2]=4 19 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,0,0,0|1,0,0]=1 20 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,0,0,0|2,0,0]=2 24 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.35 O=C1NC=C(C(=O)O)N1 SC-96089 [0,0,0,0,0,0|1,0,2]=3 26 B9R1.35 O=C1NCC(C(=O)O)O1 SC-99665 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,0,0,0,0,0|1,0,0]=1 28 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,0,0,0,0,0|0,0,0]=0 30 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,0,0,0,0,0|1,0,0]=1 31 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,0,0,0|3,0,1]=4 32 B8R1.1 C=CC1COC(=O)O1 SC-15987 [1,0,0,0,0,0|3,0,0]=4 33 B8R1.1 C[C@H]1CC[C@@H](CO)N1 SC-91672 [1,0,0,0,0,0|1,0,2]=4 34 B8R1.1 NCC1CCC(=O)N1 SC-53656 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [1,0,0,0,0,0|1,0,1]=3 36 B8R1.1 O=C1CC(CO)CN1 SC-66045 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [1,0,0,0,0,0|0,0,1]=2 38 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [1,0,0,0,0,0|1,0,1]=3 39 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [1,0,0,0,0,0|0,0,1]=2 40 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [1,0,0,0,0,0|1,0,1]=3 42 B8R1.7 CC(=O)C1CCCC1 SC-69830 [1,0,0,0,0,0|2,0,1]=4 43 B8R1.7 NC(=O)C1CCCN1 SC-24789 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [1,0,0,0,0,0|1,0,1]=3 46 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [1,0,0,0,0,0|2,0,1]=4 47 B8R1.7 O=C(O)C1=CC=CN1 SC-54396 [1,0,0,0,0,0|0,0,3]=4 48 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.7 O=C(O)C1=NC=CN1 SC-13168 [1,0,0,0,0,0|1,0,2]=4 50 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,0,0,0|1,0,1]=3 51 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,0,0,0|1,0,1]=3 52 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,0,0,0|0,0,1]=2 53 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)C1CCOC1 SC-21248 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,0,0,0|0,0,1]=2 56 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [1,0,0,0,0,0|1,0,1]=3 59 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,0,0,0|0,0,1]=2 60 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,0,0,0|1,0,1]=3 61 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [1,0,0,0,0,0|1,0,1]=3 64 B10R1.14 COC(=O)C1CC(=O)CO1 SC-21290 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.14 COC(=O)C1CCC(=O)C1 SC-32839 [0,1,0,0,0,0|1,0,0]=2 66 B10R1.14 COC(=O)C1CCC(O)C1 SC-A2862 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.14 COC(=O)C1CCC(O)C1 SC-A3344 [0,1,0,0,0,0|1,0,2]=4 68 B10R1.14 COC(=O)C1CNC(=O)C1 SC-49046 [0,1,0,0,0,0|2,0,0]=3 69 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 SC-24234 [0,1,0,0,0,0|0,0,0]=1 70 B10R1.14 COC(=O)[C@H]1CC[C@H](O)C1 SC-84077 [0,1,0,0,0,0|1,0,2]=4 71 B10R1.14 COC(=O)[C@H]1COC(=O)N1 SC-33733 [0,1,0,0,0,0|1,0,0]=2 72 B10R1.194 CN1CCC(C(=O)O)C1=O SC-68665 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.359 O=C(O)C1CCC(F)(F)C1 SC-25380 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,0,1,0,0,0|1,0,1]=3 75 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,0,1,0,0,0|1,0,1]=3 76 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,0,1,0,0,0|3,0,0]=4 77 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,0,1,0,0,0|2,0,0]=3 78 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,0,1,0,0,0|2,0,0]=3 79 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,0,1,0,0,0|1,0,1]=3 80 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,0,1,0,0,0|1,0,1]=3 81 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,0,1,0,0,0|1,0,1]=3 82 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,0,1,0,0,0|1,0,0]=2 83 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,0,1,0,0,0|3,0,0]=4 84 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,0,1,0,0,0|3,0,0]=4 85 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,0,1,0,0,0|1,0,0]=2 86 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,0,1,0,0,0|2,0,0]=3 87 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,0,1,0,0,0|2,0,0]=3 88 B8R0.15 CCCC(CC)C(=O)O SC-82317 [0,0,1,0,0,0|2,0,1]=4 89 B8R0.23 C=C(NC(C)=O)C(=O)O SC-48847 [0,0,1,0,0,0|0,0,2]=3 90 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,0,1,0,0,0|3,0,0]=4 91 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,0,1,0,0,0|2,0,0]=3 92 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,0,1,0,0,0|2,0,0]=3 93 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,0,1,0,0,0|2,0,0]=3 94 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,0,1,0,0,0|3,0,0]=4 95 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,0,1,0,0,0|3,0,0]=4 96 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,0,1,0,0,0|3,0,0]=4 97 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,0,1,0,0,0|3,0,0]=4 98 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,0,1,0,0,0|3,0,0]=4 99 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,1,0,0,0|2,0,0]=3 100 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,1,0,0,0|2,0,0]=3 101 B8R0.28 O=C(O)\C=C\CC(=O)O SC-37894 [0,0,1,0,0,0|1,0,2]=4 102 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 SC-94863 [0,0,0,1,0,0|1,0,1]=3 103 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-86927 [0,0,0,1,0,0|2,0,1]=4 104 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-A2404 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,0,1,0|2,0,0]=3 106 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,0,1,0|2,0,1]=4 107 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,0,1,0|3,0,0]=4 108 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,0,1,0|2,0,1]=4 109 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,0,1,0|1,0,0]=2 110 B10R1.13 CC(=O)N1CCC(=O)CC1 SC-18691 [0,0,0,0,0,1|3,0,0]=4 111 B10R1.13 CN1CCC(C(=O)O)CC1 SC-77778 [0,0,0,0,0,1|3,0,0]=4 112 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,0,0,0,0,1|2,0,1]=4 113 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,0,0,0,0,1|2,0,1]=4 114 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,0,0,0,0,1|2,0,1]=4 115 B10R1.13 O=C(O)C1CCC(O)CC1 SC-47408 [0,0,0,0,0,1|1,0,2]=4 116 B10R1.13 O=C(O)C1CCC(O)CC1 SC-84382 [0,0,0,0,0,1|1,0,2]=4 117 B10R1.13 O=C1CCC(C(=O)O)CN1 SC-91365 [0,0,0,0,0,1|0,0,0]=1 118 B10R1.54 O=C(O)CC1CCC(=O)C1 SC-32553 [0,0,0,0,0,1|1,0,0]=2 119 B10R1.113 CN1CCCC(C(=O)O)C1 SC-53949 [0,0,0,0,0,1|3,0,0]=4 120 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,0,0,0,0,1|2,0,1]=4 121 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,0,0,0,0,1|2,0,1]=4 122 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,0,0,0,0,1|2,0,1]=4 123 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,0,0,0,0,1|2,0,1]=4 124 B10R1.113 O=C1CC(C(=O)O)CCN1 SC-95916 [0,0,0,0,0,1|1,0,0]=2 125 B10R1.113 O=C1CCCC(C(=O)O)C1 SC-47920 [0,0,0,0,0,1|1,0,0]=2 126 B10R1.113 O=C1CCCC(C(=O)O)N1 SC-49024 [0,0,0,0,0,1|0,0,0]=1 127 B10R1.113 O=C1CCC[C@@H](C(=O)O)N1 SC-22183 [0,0,0,0,0,1|0,0,0]=1 128 B10R1.113 O=C1CSCC(C(=O)O)N1 SC-84528 [0,0,0,0,0,1|0,0,0]=1 129 B7R0.3 COC(=O)CCC=O SC-47529 [1,0,1,0,0,0|2,0,0]=4 130 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,1,0,0,0|1,0,1]=4 131 B7R0.4 C=CCNCC(=O)O SC-74362 [1,0,1,0,0,0|2,0,0]=4 132 B7R0.4 C=CCOCC(=O)O SC-49027 [1,0,1,0,0,0|2,0,0]=4 133 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,1,0,0,0|0,0,1]=3 134 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,1,0,0,0|1,0,1]=4 135 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,1,0,0,0|2,0,0]=4 136 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,1,0,0,0|2,0,0]=4 137 B7R0.4 COCCCC(=O)O SC-51378 [1,0,1,0,0,0|2,0,0]=4 138 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,1,0,0,0|1,0,1]=4 139 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,1,0,0,0|1,0,1]=4 140 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,1,0,0,0|0,0,1]=3 141 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,1,0,0,0|0,0,1]=3 142 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,1,0,0,0|1,0,1]=4 143 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,1,0,0,0|1,0,1]=4 144 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,1,0,0,0|1,0,1]=4 145 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,1,0,0,0|1,0,1]=4 146 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,0,1,0,0,0|0,0,2]=4 147 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,0,1,0,0,0|0,0,1]=3 148 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,0,1,0,0,0|0,0,1]=3 149 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,0,1,0,0,0|0,0,1]=3 150 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,0,1,0,0,0|0,0,1]=3 151 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,0,1,0,0,0|0,0,1]=3 152 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,0,1,0,0,0|1,0,1]=4 153 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,0,1,0,0,0|0,0,1]=3 154 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,0,1,0,0,0|1,0,1]=4 155 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,0,1,0,0,0|1,0,1]=4 156 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,0,1,0,0,0|1,0,1]=4 157 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,0,1,0,0,0|0,0,1]=3 158 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,0,1,0,0,0|1,0,0]=3 159 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,0,1,0,0,0|1,0,0]=3 160 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,0,1,0,0,0|1,0,0]=3 161 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,0,1,0,0,0|1,0,0]=3 162 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,0,1,0,0,0|1,0,0]=3 163 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,0,1,0,0,0|0,0,1]=3 164 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,0,1,0,0,0|0,0,1]=3 165 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [1,0,1,0,0,0|1,0,1]=4 166 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,0,1,0,0,0|2,0,0]=4 167 B7R0.15 CNC(CO)C(=O)O SC-26706 [1,0,1,0,0,0|1,0,1]=4 168 B7R0.15 [C@@H](CO)(NC)C(=O)O SC-20914 [1,0,1,0,0,0|1,0,1]=4 169 B7R1.1 O=CC1CCCC1 SC-21778 [2,0,0,0,0,0|1,0,1]=4 170 B7R1.1 O=CC1CCCC1 SC-44728 [2,0,0,0,0,0|1,0,1]=4 171 B7R1.1 O=CC1CCNC1 SC-85271 [2,0,0,0,0,0|2,0,0]=4 172 B7R1.1 OCC1CCCN1 SC-12006 [2,0,0,0,0,0|0,0,2]=4 173 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [2,0,0,0,0,0|0,0,2]=4 174 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [2,0,0,0,0,0|0,0,2]=4 175 B7R1.1 OC[C@H]1CCCN1 SC-06270 [2,0,0,0,0,0|0,0,2]=4 176 B7R1.2 CC1CCC(=O)C1 SC-93748 [2,0,0,0,0,0|1,0,1]=4 177 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [2,0,0,0,0,0|1,0,1]=4 178 B7R1.2 O=C1CC(O)CN1 SC-29049 [2,0,0,0,0,0|2,0,0]=4 179 B7R1.2 O=C1CCC(=O)C1 SC-15331 [2,0,0,0,0,0|1,0,1]=4 180 B7R1.2 O=C1CCC(=O)N1 SC-26697 [2,0,0,0,0,0|0,0,1]=3 181 B7R1.2 O=C1COC(=O)N1 SC-49693 [2,0,0,0,0,0|1,0,1]=4 182 B7R1.2 O=C1CSC(=O)N1 SC-17499 [2,0,0,0,0,0|1,0,1]=4 183 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [2,0,0,0,0,0|2,0,0]=4 184 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [2,0,0,0,0,0|2,0,0]=4 185 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [2,0,0,0,0,0|2,0,0]=4 186 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,1,0,0,0|1,0,1]=4 187 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,1,0,0,0|1,0,1]=4 188 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,1,1,0,0,0|2,0,0]=4 189 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,1,1,0,0,0|0,0,0]=2 190 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,1,0,0,0|1,0,0]=3 191 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,1,0,0,0|1,0,0]=3 192 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,1,0,0,0|0,0,0]=2 193 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,1,0,0,0|0,0,0]=2 194 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,1,0,0,0|0,0,0]=2 195 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,1,1,0,0,0|1,0,1]=4 196 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,1,1,0,0,0|1,0,1]=4 197 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,1,1,0,0,0|0,0,0]=2 198 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,1,1,0,0,0|2,0,0]=4 199 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [0,1,1,0,0,0|1,0,0]=3 200 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,1,1,0,0,0|1,0,1]=4 201 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,1,1,0,0,0|1,0,1]=4 202 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,1,1,0,0,0|1,0,1]=4 203 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,1,1,0,0,0|1,0,1]=4 204 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,1,1,0,0,0|1,0,1]=4 205 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,1,1,0,0,0|1,0,1]=4 206 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,1,1,0,0,0|1,0,1]=4 207 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,1,1,0,0,0|1,0,1]=4 208 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,1,1,0,0,0|1,0,1]=4 209 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,1,1,0,0,0|1,0,1]=4 210 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [0,1,1,0,0,0|2,0,0]=4 211 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,1,1,0,0,0|2,0,0]=4 212 B9R0.24 CCC(=O)CCC(=O)CC SC-89953 [0,1,1,0,0,0|2,0,0]=4 213 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,1,1,0,0,0|2,0,0]=4 214 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,1,1,0,0,0|2,0,0]=4 215 B9R0.48 CCOC(=O)CCC(=O)Cl SC-17543 [0,1,1,0,0,0|2,0,0]=4 216 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,1,1,0,0,0|1,0,0]=3 217 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,1,1,0,0,0|2,0,0]=4 218 B9R0.48 CCOC(=O)\C=C\C(=O)O SC-17455 [0,1,1,0,0,0|1,0,1]=4 219 B9R0.39 CC(=O)N[C@@H](CS)C(=O)O SC-09436 [0,1,1,0,0,0|1,0,0]=3 220 B9R0.39 CC(=O)N[C@H](CS)C(=O)O SC-68544 [0,1,1,0,0,0|1,0,0]=3 221 B9R0.11 CC(=O)OC(C)(C)C(=O)Br SC-17645 [0,1,1,0,0,0|2,0,0]=4 222 B9R0.11 CC(C)(CC(=O)O)C(=O)O SC-26972 [0,1,1,0,0,0|2,0,0]=4 223 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [0,1,1,0,0,0|2,0,0]=4 224 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,1,0,0,0|1,0,0]=3 225 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [0,1,1,0,0,0|2,0,0]=4 226 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,1,1,0,0,0|1,0,0]=3 227 B9R0.53 CN(CC(=O)O)CC(=O)O SC-04506 [0,1,1,0,0,0|2,0,0]=4 228 B9R0.53 O=C(O)CC(=O)CC(=O)O SC-16413 [0,1,1,0,0,0|1,0,1]=4 229 B9R1.11 COC(=O)C1CC=CC1 SC-19292 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.11 COC(=O)C1CCCC1 SC-58226 [1,1,0,0,0,0|1,0,1]=4 231 B9R1.11 COC(=O)C1CCCN1 SC-01646 [1,1,0,0,0,0|0,0,1]=3 232 B9R1.11 COC(=O)C1CCCN1 SC-12256 [1,1,0,0,0,0|0,0,1]=3 233 B9R1.11 COC(=O)C1CCOC1 SC-99459 [1,1,0,0,0,0|2,0,0]=4 234 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [1,1,0,0,0,0|0,0,1]=3 235 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [1,1,0,0,0,0|0,0,1]=3 237 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [1,1,0,0,0,0|0,0,1]=3 238 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [1,1,0,0,0,0|0,0,1]=3 239 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [1,1,0,0,0,0|1,0,1]=4 240 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [1,1,0,0,0,0|0,0,1]=3 242 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [1,1,0,0,0,0|2,0,0]=4 243 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [1,1,0,0,0,0|1,0,1]=4 245 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [1,1,0,0,0,0|2,0,0]=4 246 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [1,1,0,0,0,0|1,0,1]=4 247 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,0,1,0|1,0,0]=3 249 B11R1.22 COC(=O)C1CCC(=O)CC1 SC-24169 [0,1,0,0,0,1|1,0,0]=3 250 B11R1.22 COC(=O)C1CCC(=O)NC1 SC-97458 [0,1,0,0,0,1|0,0,0]=2 251 B11R1.220 CC1(C(=O)O)CCC(=O)CC1 SC-47777 [0,1,0,0,0,1|1,0,0]=3 252 B11R1.727 O=C(O)C1CCS(=O)(=O)CC1 SC-B8314 [0,1,0,0,0,1|2,0,0]=4 253 B11R1.39 COC(=O)CC1CCC(=O)C1 SC-34381 [0,1,0,0,0,1|1,0,0]=3 254 B11R1.23 COC(=O)C1=CC(=O)CCC1 SC-34228 [0,1,0,0,0,1|1,0,1]=4 255 B11R1.23 COC(=O)C1CCCC(=O)C1 SC-29708 [0,1,0,0,0,1|1,0,0]=3 256 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-49227 [0,1,0,0,0,1|0,0,0]=2 257 B11R1.23 COC(=O)C1CCCC(=O)N1 SC-70288 [0,1,0,0,0,1|0,0,0]=2 258 B11R1.15 CCOC(=O)C1CCC(=O)C1 SC-65312 [0,2,0,0,0,0|1,0,0]=3 259 B11R1.15 CCOC(=O)C1CCC(=O)N1 SC-26956 [0,2,0,0,0,0|0,0,0]=2 260 B11R1.15 CCOC(=O)C1CCC(=O)N1 SC-49614 [0,2,0,0,0,0|0,0,0]=2 261 B11R1.15 CCOC(=O)C1CNC(=O)C1 SC-21962 [0,2,0,0,0,0|2,0,0]=4 262 B11R1.15 CCOC(=O)N1CCC(=O)C1 SC-53714 [0,2,0,0,0,0|2,0,0]=4 263 B11R1.15 CCOC(=O)[C@H]1CCC(=O)N1 SC-24624 [0,2,0,0,0,0|0,0,0]=2 264 B11R1.226 COC(=O)C1CC(N)C(=O)N1 SC-48396 [0,2,0,0,0,0|0,0,0]=2 265 B11R1.175 O=C(O)C1CCC(C(=O)O)C1 SC-04127 [0,2,0,0,0,0|1,0,1]=4 266 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [0,0,1,1,0,0|2,0,0]=4 267 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,0,1,1,0,0|1,0,1]=4 268 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,0,1,1,0,0|1,0,1]=4 269 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,0,1,1,0,0|1,0,1]=4 270 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [0,0,1,1,0,0|2,0,0]=4 271 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [0,0,1,1,0,0|2,0,0]=4 272 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,0,1,1,0,0|1,0,1]=4 273 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [0,0,1,1,0,0|1,0,0]=3 274 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [0,0,1,1,0,0|1,0,0]=3 275 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [0,0,1,1,0,0|1,0,0]=3 276 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [0,0,1,1,0,0|1,0,0]=3 277 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [0,0,1,1,0,0|1,0,0]=3 278 B9R1.69 O=C1CCC(Br)C(=O)N1 SC-A3664 [0,0,1,1,0,0|2,0,0]=4 279 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,0,1,1,0,0|1,0,1]=4 280 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,0,1,1,0,0|1,0,1]=4 281 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,0,1,1,0,0|1,0,1]=4 282 B9R1.53 CC(=O)OC1CC(=O)N1 SC-20312 [0,0,1,1,0,0|2,0,0]=4 283 B9R2.39 O=C1NC2C=CC1C2 SC-17066 [1,0,0,1,0,0|1,0,0]=3 284 B9R2.39 [C@@H]12C=C[C@@H](C1)C(=O)N2 SC-14133 [1,0,0,1,0,0|1,0,0]=3 285 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [1,0,0,1,0,0|1,0,1]=4 286 B11R2.139 C12CC(=O)CC1CC(=O)C2 SC-A4008 [0,0,0,1,0,1|2,0,0]=4 287 B11R2.139 O=C1NC2NC(=O)NC2N1 SC-25573 [0,0,0,1,0,1|2,0,0]=4 288 B7R0.16 CC(C(=O)O)C(=O)O SC-16059 [0,0,1,0,1,0|1,0,0]=3 289 B7R0.16 NC(C(=O)O)C(=O)O SC-10105 [0,0,1,0,1,0|2,0,0]=4 290 B7R0.16 O=C(O)C(O)C(=O)O SC-70695 [0,0,1,0,1,0|2,0,0]=4 291 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,0,1,0|1,0,1]=4 292 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,0,1,0|1,0,1]=4 293 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,0,1,0|1,0,0]=3 294 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,0,1,0|1,0,1]=4 295 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,0,1,0|0,0,1]=3 296 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,0,1,0|1,0,0]=3 297 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,0,1,0|0,0,0]=2 298 B7R1.12 O=C(O)C1CC1F SC-85228 [0,0,0,0,2,0|1,0,1]=4 299 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [0,0,0,0,2,0|1,0,1]=4 300 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [0,0,0,0,2,0|1,0,1]=4 301 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [0,0,0,0,2,0|1,0,1]=4 302 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,1,0,0,1|1,0,0]=3 303 B9R0.55 O=C(O)\C=C\CCC(=O)O SC-66378 [0,0,1,0,0,1|1,0,1]=4 304 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [1,0,0,0,0,1|0,0,1]=3 305 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [1,0,0,0,0,1|0,0,1]=3 306 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [1,0,0,0,0,1|0,0,1]=3 307 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [1,0,0,0,0,1|2,0,0]=4 308 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [1,0,0,0,0,1|0,0,1]=3 309 B11R1.20 CC(=O)NC1CCC(=O)CC1 SC-25634 [0,0,0,0,0,2|2,0,0]=4 310 B11R1.20 O=C(O)CC1CCC(=O)CC1 SC-52908 [0,0,0,0,0,2|1,0,0]=3 311 B11R1.157 O=C(O)CN1CCCC(=O)C1 SC-45489 [0,0,0,0,0,2|2,0,0]=4