0 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,0,0,0,0,0|0,0,0]=0 1 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 C#CCCCC(=O)O SC-73017 [1,0,0,0,0,0|0,0,2]=3 5 B7R0.4 C#CCNCC(=O)O SC-10418 [1,0,0,0,0,0|1,0,2]=4 6 B7R0.4 C#CCNCC(=O)O SC-10419 [1,0,0,0,0,0|1,0,2]=4 7 B7R0.4 C#CCNCC(=O)O SC-65650 [1,0,0,0,0,0|1,0,2]=4 8 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [1,0,0,0,0,0|1,0,1]=3 9 B7R0.4 C=CCNCC(=O)O SC-74362 [1,0,0,0,0,0|1,0,0]=2 10 B7R0.4 C=CCOCC(=O)O SC-49027 [1,0,0,0,0,0|1,0,0]=2 11 B7R0.4 CCCNCC(=O)O SC-97541 [1,0,0,0,0,0|1,0,2]=4 12 B7R0.4 CCCSCC(=O)O SC-45283 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 CNCCCC(=O)O SC-49793 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.4 CNCCCC(=O)O SC-A2900 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.4 COCCCC(=O)O SC-51378 [1,0,0,0,0,0|1,0,1]=3 16 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,0,0,0,0,0|0,0,2]=3 17 B7R0.4 NC(=O)CCCCBr SC-98143 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 NCCCCC(=O)O SC-10120 [1,0,0,0,0,0|1,0,1]=3 19 B7R0.4 NCCCCC(=O)O SC-92391 [1,0,0,0,0,0|1,0,1]=3 20 B7R0.4 NCCCCC(N)=O SC-94858 [1,0,0,0,0,0|2,0,1]=4 21 B7R0.4 NCCCCC(N)=O SC-A4262 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.4 NCCNCC(=O)O SC-21750 [1,0,0,0,0,0|2,0,1]=4 23 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,0,0,0,0,0|2,0,1]=4 25 B7R0.4 O=C(O)CCCCBr SC-02338 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,0,0,0,0,0|1,0,1]=3 27 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.6 N=C(N)CCC(N)=O SC-97509 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,0,0,0,0,0|2,0,1]=4 34 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,0|2,0,1]=4 35 B9R0.7 CC(CCC(=O)Cl)C(=O)Cl SC-25336 [0,1,0,0,0,0|3,0,0]=4 36 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,1,0,0,0,0|2,0,0]=3 37 B9R0.7 NC(=O)SCC(N)C(=O)O SC-25048 [0,1,0,0,0,0|3,0,0]=4 38 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,1,0,0,0,0|1,0,0]=2 39 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,1,0,0,0,0|1,0,0]=2 40 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,1,0,0,0,0|1,0,0]=2 41 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,1,0,0,0,0|1,0,0]=2 42 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-20382 [0,1,0,0,0,0|2,0,1]=4 43 B9R0.7 O=C([O-])CCC(O)C(=O)[O-] SC-88740 [0,1,0,0,0,0|2,0,1]=4 44 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,1,0,0,0,0|2,0,0]=3 45 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,0|0,0,2]=3 46 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,0|1,0,1]=3 47 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,0|0,0,2]=3 48 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,0|0,0,2]=3 49 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,0|0,0,2]=3 50 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,0|0,0,2]=3 51 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,0,0,1,0,0|0,0,0]=1 52 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,0|0,0,2]=3 53 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,0|0,0,2]=3 54 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,0|2,0,1]=4 55 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,1,0,0|2,0,1]=4 56 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,0|2,0,1]=4 57 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,0|2,0,1]=4 59 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.69 NC1CCC(=O)NC1=O SC-52533 [0,0,0,1,0,0|2,0,0]=3 62 B9R1.69 NC1CCC(=O)NC1=O SC-72018 [0,0,0,1,0,0|2,0,0]=3 63 B9R1.69 NC1CCC(=O)NC1=O SC-85613 [0,0,0,1,0,0|2,0,0]=3 64 B9R1.69 N[C@@H]1CCC(=O)NC1=O SC-A2238 [0,0,0,1,0,0|2,0,0]=3 65 B9R1.69 N[C@H]1CCC(=O)NC1=O SC-A2241 [0,0,0,1,0,0|2,0,0]=3 66 B9R1.69 O=C1CCC(Br)C(=O)N1 SC-A3664 [0,0,0,1,0,0|3,0,0]=4 67 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,0,0,1,0,0|1,0,2]=4 68 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,0,0,1,0,0|2,0,1]=4 69 B7R0.2 CCC(C)CC(=O)O SC-19132 [0,0,0,0,1,0|1,0,2]=4 70 B7R0.2 CCC(N)CC(=O)O SC-59260 [0,0,0,0,1,0|0,0,2]=3 71 B7R0.2 NCC(O)CC(=O)O SC-50844 [0,0,0,0,1,0|2,0,1]=4 72 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [0,0,0,0,1,0|1,0,1]=3 73 B9R0.1 C=CC(=O)OCCC(=O)O SC-65069 [0,0,0,0,0,1|1,0,1]=3 74 B6R0.4 C=CCCC(=O)O SC-25836 [2,0,0,0,0,0|0,0,0]=2 75 B6R0.4 C=CCOC(=O)Cl SC-18715 [2,0,0,0,0,0|2,0,0]=4 76 B6R0.4 C=CNCC(=O)O SC-20808 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.4 CC(=O)CCCBr SC-91341 [2,0,0,0,0,0|2,0,0]=4 78 B6R0.4 CC(=O)NCCN SC-19651 [2,0,0,0,0,0|2,0,0]=4 79 B6R0.4 CCCCC(=O)Cl SC-46867 [2,0,0,0,0,0|1,0,1]=4 80 B6R0.4 CNCCC(=O)O SC-27492 [2,0,0,0,0,0|1,0,1]=4 81 B6R0.4 CNCCC(=O)O SC-52914 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.4 COCCC(=O)O SC-50255 [2,0,0,0,0,0|1,0,1]=4 83 B6R0.4 CSCCC(=O)O SC-96567 [2,0,0,0,0,0|1,0,1]=4 84 B6R0.4 NCCCC(=O)O SC-10045 [2,0,0,0,0,0|0,0,0]=2 85 B6R0.4 O=C(Cl)CCCBr SC-70369 [2,0,0,0,0,0|2,0,0]=4 86 B6R0.4 O=C(O)CCCCl SC-89723 [2,0,0,0,0,0|1,0,0]=3 87 B6R0.6 C=CCCCCBr SC-27023 [2,0,0,0,0,0|1,0,1]=4 88 B6R0.6 O=CCCCCCl SC-A3300 [2,0,0,0,0,0|1,0,1]=4 89 B8R0.7 C#CCCCCC(=O)O SC-20440 [1,1,0,0,0,0|0,0,2]=4 90 B8R0.7 C#CCOCCC(=O)O SC-A2263 [1,1,0,0,0,0|0,0,2]=4 91 B8R0.7 CCCCOCC(=O)O SC-22619 [1,1,0,0,0,0|0,0,2]=4 92 B8R0.7 COCCOCC(=O)O SC-89730 [1,1,0,0,0,0|1,0,1]=4 93 B8R0.7 NCCCCCC(=O)O SC-10067 [1,1,0,0,0,0|0,0,2]=4 94 B8R0.7 O=C(O)CCCCCBr SC-04420 [1,1,0,0,0,0|0,0,2]=4 95 B8R0.7 O=C(O)CCCCCO SC-17400 [1,1,0,0,0,0|0,0,2]=4 96 B8R0.7 O=C(O)CCOCCBr SC-A2260 [1,1,0,0,0,0|1,0,1]=4 97 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [1,1,0,0,0,0|2,0,0]=4 98 B8R0.28 O=C(O)COCC(=O)O SC-93218 [1,1,0,0,0,0|2,0,0]=4 99 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [1,1,0,0,0,0|1,0,1]=4 100 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [1,1,0,0,0,0|1,0,1]=4 102 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [1,1,0,0,0,0|1,0,1]=4 103 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [1,1,0,0,0,0|1,0,1]=4 104 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [1,1,0,0,0,0|1,0,1]=4 105 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [1,1,0,0,0,0|1,0,1]=4 106 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [1,1,0,0,0,0|1,0,1]=4 107 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [1,1,0,0,0,0|1,0,1]=4 108 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [1,1,0,0,0,0|1,0,1]=4 109 B8R0.29 O=C(O)CCC(F)(F)F SC-44467 [1,1,0,0,0,0|2,0,0]=4 110 B10R0.98 NC(CCCC(=O)O)C(=O)O SC-20484 [0,1,0,0,0,1|1,0,0]=3 111 B10R0.98 NC(CSCC(=O)O)C(=O)O SC-19245 [0,1,0,0,0,1|1,0,0]=3 112 B10R0.92 CP(=O)(O)CCC(N)C(=O)O SC-46809 [0,2,0,0,0,0|2,0,0]=4 113 B8R1.1 C=CC1COC(=O)O1 SC-15987 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.1 NCC1CCC(=O)N1 SC-53656 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [1,0,0,1,0,0|1,0,1]=4 117 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [1,0,0,1,0,0|1,0,1]=4 118 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [1,0,0,1,0,0|1,0,1]=4 119 B8R1.3 NC1CCC(=O)CC1 SC-51421 [1,0,0,1,0,0|0,0,2]=4 120 B8R1.3 NC1CCC(=O)CC1 SC-94303 [1,0,0,1,0,0|0,0,2]=4 121 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [1,0,0,1,0,0|1,0,1]=4 122 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [1,0,0,1,0,0|2,0,0]=4 123 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [1,0,0,1,0,0|2,0,0]=4 124 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [1,0,0,1,0,0|1,0,0]=3 126 B8R1.4 O=C1COCC(=O)O1 SC-26890 [1,0,0,1,0,0|2,0,0]=4 127 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [1,0,0,1,0,0|0,0,2]=4 128 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [1,0,0,1,0,0|0,0,2]=4 129 B8R1.7 O=C(O)C1CCCC1 SC-18675 [1,0,0,1,0,0|0,0,2]=4 130 B8R1.7 O=C(O)C1CCCN1 SC-09807 [1,0,0,1,0,0|1,0,1]=4 131 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.7 O=C(O)C1CCOC1 SC-21248 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [1,0,0,1,0,0|1,0,1]=4 138 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [1,0,0,1,0,0|1,0,1]=4 139 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [1,0,0,1,0,0|1,0,1]=4 140 B8R1.34 O=C(O)CC1CCC1 SC-26391 [1,0,0,1,0,0|0,0,2]=4 141 B8R1.34 O=C(O)CC1COC1 SC-70807 [1,0,0,1,0,0|1,0,1]=4 142 B8R1.35 O=C(O)CCC1CC1 SC-31428 [1,0,0,1,0,0|0,0,2]=4 143 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [1,0,0,1,0,0|1,0,1]=4 144 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [1,0,0,1,0,0|1,0,1]=4 145 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [1,0,0,1,0,0|1,0,1]=4 146 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [1,0,0,1,0,0|1,0,1]=4 147 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [1,0,0,1,0,0|2,0,0]=4 148 B8R1.18 CC1CC(=O)OC1=O SC-97577 [0,0,0,1,1,0|2,0,0]=4 149 B10R1.13 NC1CCC(C(=O)O)CC1 SC-46143 [0,0,0,1,0,1|0,0,2]=4 150 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-43852 [0,0,0,1,0,1|0,0,2]=4 151 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 SC-47469 [0,0,0,1,0,1|0,0,2]=4 152 B10R1.113 NC1CCCC(C(=O)O)C1 SC-15059 [0,1,0,1,0,0|0,0,2]=4 153 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48763 [0,1,0,1,0,0|0,0,2]=4 154 B10R1.113 N[C@@H]1CCC[C@H](C(=O)O)C1 SC-48783 [0,1,0,1,0,0|0,0,2]=4 155 B10R1.113 N[C@H]1CCC[C@@H](C(=O)O)C1 SC-68749 [0,1,0,1,0,0|0,0,2]=4 156 B10R1.66 O=C(O)CCC1=CC=CO1 SC-51380 [0,1,0,1,0,0|1,0,1]=4 157 B10R1.66 O=C(O)CCC1=CSC=C1 SC-48358 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.66 O=C(O)CCN1C=CN=C1 SC-04130 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.82 O=C(O)CCC1CC(=O)C1 SC-93096 [0,1,0,1,0,0|1,0,1]=4 160 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [1,0,0,0,1,0|0,0,1]=3 161 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [1,0,0,0,1,0|0,0,1]=3 162 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [1,0,0,0,1,0|0,0,1]=3 163 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [1,0,0,0,1,0|1,0,1]=4 164 B6R0.3 C=CC(C)C(=O)O SC-65769 [0,0,0,0,2,0|1,0,0]=3 165 B6R0.3 C=C[C@H](N)C(=O)O SC-99216 [0,0,0,0,2,0|0,0,0]=2 166 B6R0.3 CCC(N)C(=O)O SC-25570 [0,0,0,0,2,0|0,0,2]=4 167 B6R0.3 CC[C@@H](N)C(=O)O SC-10051 [0,0,0,0,2,0|0,0,2]=4 168 B6R0.3 CC[C@H](N)C(=O)O SC-10052 [0,0,0,0,2,0|0,0,2]=4 169 B6R0.3 NC(CO)C(=O)O SC-09828 [0,0,0,0,2,0|1,0,1]=4 170 B6R0.3 NC(CS)C(=O)O SC-16429 [0,0,0,0,2,0|1,0,1]=4 171 B6R0.3 NCC(N)C(=O)O SC-12518 [0,0,0,0,2,0|1,0,1]=4 172 B6R0.3 NCC(N)C(=O)O SC-26817 [0,0,0,0,2,0|1,0,1]=4 173 B6R0.3 NC[C@@H](N)C(=O)O SC-10203 [0,0,0,0,2,0|1,0,1]=4 174 B6R0.3 N[C@@H](CO)C(=O)O SC-09827 [0,0,0,0,2,0|1,0,1]=4 175 B6R0.3 N[C@@H](CS)C(=O)O SC-45550 [0,0,0,0,2,0|1,0,1]=4 176 B6R0.3 N[C@H](CO)C(=O)O SC-09826 [0,0,0,0,2,0|1,0,1]=4 177 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09427 [0,0,0,0,2,0|1,0,1]=4 178 B6R0.3 [C@@H](N)(CS)C(=O)O SC-09430 [0,0,0,0,2,0|1,0,1]=4 179 B6R0.3 [C@H](N)(CS)C(=O)O SC-09426 [0,0,0,0,2,0|1,0,1]=4