0 B7R0.4 C=CCOCC(=O)O SC-35140 [0,0,0,0,0,0|1,0,3]=4 1 B7R0.4 CC(=O)NCCCN SC-51489 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CCCCCC(C)O SC-81258 [0,0,0,0,0,0|1,0,3]=4 3 B7R0.4 CCC\C=C\C(=O)O SC-39942 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.4 COC\C=C/C(C)=O SC-66315 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.4 O=C(O)CCCCCl SC-57902 [0,0,0,0,0,0|1,0,2]=3 6 B6R0.4 CC(=O)NCCCl SC-49821 [1,0,0,0,0,0|3,0,0]=4 7 B6R0.4 CC(=O)OCCO SC-95931 [1,0,0,0,0,0|3,0,0]=4 8 B6R0.4 CC(C)=CCCO SC-52391 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.4 CCCCB(O)O SC-04512 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.4 CCCOC(=O)Cl SC-19101 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.4 N#CCCC(=O)O SC-49854 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.4 NC(=O)CCCO SC-12258 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 O=C(Cl)OCCF SC-53156 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.4 O=C(O)CCCBr SC-02994 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.6 CCCCCCO SC-22734 [1,0,0,0,0,0|0,0,3]=4 16 B6R0.6 CCCNCCO SC-20196 [1,0,0,0,0,0|1,0,2]=4 17 B6R0.6 COCCCC=O SC-88270 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 C\C=C\C=C\CO SC-21408 [1,0,0,0,0,0|0,0,3]=4 19 B8R0.5 CCOC(=O)CC(C)=O SC-18922 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.7 C=CCCOCC(=O)O SC-35006 [0,1,0,0,0,0|1,0,2]=4 21 B8R0.7 CCCCCOC(=O)Cl SC-18359 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.7 CCOCCOC(=O)Cl SC-51564 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.7 COCCCOC(C)=O SC-26578 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.7 COCOCCC(=O)O SC-50551 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.7 CSCC\C=C\C(=O)O SC-39251 [0,1,0,0,0,0|0,0,0]=1 26 B8R0.8 CCCCC(Br)C(=O)Cl SC-66293 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,1,0,0,0,0|1,0,2]=4 28 B8R0.8 CCOC[C@H](N)C(=O)O SC-68756 [0,1,0,0,0,0|1,0,2]=4 29 B8R0.8 COCC[C@@H](N)C(=O)O SC-49310 [0,1,0,0,0,0|1,0,2]=4 30 B8R0.8 CSCC[C@H](N)C(=O)O SC-09744 [0,1,0,0,0,0|1,0,2]=4 31 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,1,0,0,0,0|0,0,3]=4 33 B8R0.28 CC(=O)C\C=C\C(=O)O SC-70039 [0,1,0,0,0,0|0,0,1]=2 34 B8R1.1 CC1=CC=C(CN)O1 SC-84276 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.1 O=C1CC=C(CO)O1 SC-52407 [0,0,0,1,0,0|1,0,2]=4 36 B8R1.1 O=C1NC[C@H](CCl)O1 SC-73276 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.4 CC1=CC=CC(O)=N1 SC-21197 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.4 C[C@H]1CCCC(=O)N1 SC-51761 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.7 CC(=O)C1CCCC1 SC-34558 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.7 CC(=S)C1=CCCS1 SC-42218 [0,0,0,1,0,0|2,1,0]=4 41 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [0,0,0,1,0,0|1,0,0]=2 43 B8R1.7 O=C(O)C1=CC=CO1 SC-65100 [0,0,0,1,0,0|1,0,2]=4 44 B8R1.7 O=C(O)C1=CNC=C1 SC-20168 [0,0,0,1,0,0|1,0,2]=4 45 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [0,0,0,1,0,0|1,0,2]=4 46 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [0,0,0,1,0,0|1,0,2]=4 47 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [0,0,0,1,0,0|1,0,2]=4 48 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [0,0,0,1,0,0|1,0,2]=4 49 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [0,0,0,1,0,0|1,1,1]=4 50 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.22 O=C1C=CCCCN1 SC-50475 [0,0,0,1,0,0|1,0,0]=2 52 B8R1.34 O=C(O)C=C1CCC1 SC-67620 [0,0,0,1,0,0|0,0,0]=1 53 B8R1.35 O=C(O)\C=C\C1CC1 SC-39438 [0,0,0,1,0,0|0,0,0]=1 54 B5R0.1 CNCC(=O)[O-] SC-18610 [2,0,0,0,0,0|1,0,1]=4 55 B5R0.1 COCC(=O)O SC-22928 [2,0,0,0,0,0|1,0,0]=3 56 B5R0.1 COCC(C)=O SC-81373 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CSCC(N)=O SC-27108 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 C\C=C\C(=O)Cl SC-24539 [2,0,0,0,0,0|1,0,0]=3 59 B5R0.1 C\C=C\[N+](=O)[O-] SC-65946 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 O=C(O)CCF SC-53145 [2,0,0,0,0,0|1,0,0]=3 61 B5R0.2 C=COCCC SC-13613 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.2 C\C=C/OCC SC-15783 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.2 NC\C=C\CO SC-22303 [2,0,0,0,0,0|1,0,1]=4 64 B7R0.2 CCC(=O)OC(C)=O SC-96821 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.3 CCCCC(=O)NN SC-59745 [1,1,0,0,0,0|1,0,1]=4 66 B7R0.3 CC\C=C\C(=O)OC SC-62851 [1,1,0,0,0,0|0,0,0]=2 67 B7R0.3 COC(=O)CCCBr SC-46963 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.3 CO\C=C\C(=O)OC SC-62260 [1,1,0,0,0,0|1,0,0]=3 69 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,1,0,0,0,0|0,0,1]=3 70 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,1,0,0,0,0|0,0,1]=3 71 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,1,0,0,0,0|0,0,1]=3 72 B7R0.5 CCOC(=O)C(N)=O SC-20979 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,1,0,0,0,0|0,0,0]=2 74 B7R0.5 COCC(N)C(=O)O SC-43930 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,1,0,0,0,0|1,0,1]=4 76 B7R0.5 OCC\C(Br)=C(\O)Br SC-19489 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,1,0,0,0,0|1,0,1]=4 78 B7R0.6 O=C(O)\C=C\C(=O)O SC-30089 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.1 OCC\C=C\CCO SC-85734 [1,1,0,0,0,0|1,0,1]=4 80 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,2,0,0,0,0|0,0,2]=4 81 B9R0.4 CCCOC(=O)CC(C)=O SC-65215 [0,2,0,0,0,0|1,0,1]=4 82 B9R0.6 CCCC(C)C(N)C(=O)O SC-45629 [0,2,0,0,0,0|0,0,2]=4 83 B9R0.34 CCCC(=O)CC(=O)OC SC-27187 [0,2,0,0,0,0|0,0,1]=3 84 B9R0.34 COCC(=O)CC(=O)OC SC-49499 [0,2,0,0,0,0|1,0,1]=4 85 B9R0.53 CC(C)OC(=O)CC(=O)O SC-31951 [0,2,0,0,0,0|1,0,1]=4 86 B9R0.58 CCCS(=O)(=O)CC(=O)O SC-38522 [0,2,0,0,0,0|1,0,1]=4 87 B9R0.5 CCC\C=C\C(=O)OCC SC-49613 [0,2,0,0,0,0|0,0,0]=2 88 B9R0.5 C\C=C\C=C\C(=O)OCC SC-65183 [0,2,0,0,0,0|0,0,2]=4 89 B9R0.24 COC(=O)\C=C\C(=O)OC SC-22552 [0,2,0,0,0,0|1,0,1]=4 90 B9R0.47 CC[Se]CCC(N)C(=O)O SC-69852 [0,2,0,0,0,0|0,0,2]=4 91 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,2,0,0,0,0|0,0,2]=4 92 B9R0.47 CSCCC[C@@H](N)C(=O)O SC-49287 [0,2,0,0,0,0|0,0,2]=4 93 B9R0.47 NCCCCC(N)C(=O)O SC-09671 [0,2,0,0,0,0|0,0,2]=4 94 B9R0.47 NCCCCC(N)C(=O)O SC-20502 [0,2,0,0,0,0|0,0,2]=4 95 B9R0.47 NCCCC[C@H](N)C(=O)O SC-22201 [0,2,0,0,0,0|0,0,2]=4 96 B9R0.2 C=CCCCOCC(=O)O SC-34349 [0,2,0,0,0,0|1,0,1]=4 97 B9R0.2 NCCCCCCC(=O)O SC-52825 [0,2,0,0,0,0|0,0,2]=4 98 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,2,0,0,0,0|1,0,1]=4 99 B9R0.7 CC(=O)C(=O)OCC(C)C SC-26296 [0,2,0,0,0,0|2,0,0]=4 100 B9R0.13 C=C[C@@H](CCCC)C(=O)O SC-31049 [0,2,0,0,0,0|0,0,2]=4 101 B9R0.13 C=C[C@H](CCCC)C(=O)O SC-31462 [0,2,0,0,0,0|0,0,2]=4 102 B9R0.13 CCO\C=C(/C#N)C(C)=O SC-34309 [0,2,0,0,0,0|2,0,0]=4 103 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,2,0,0,0,0|0,0,2]=4 104 B9R0.56 C[N+](C)(C)C\C=C/C(=O)[O-] SC-50943 [0,2,0,0,0,0|1,0,1]=4 105 B7R1.2 CC1CCC(=O)N1 SC-89347 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.2 CC1CNC(=O)N1 SC-65644 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.2 CC1CNC(=O)N1 SC-67475 [1,0,0,1,0,0|2,0,0]=4 108 B7R1.2 CC1CSC(=O)S1 SC-51669 [1,0,0,1,0,0|1,1,0]=4 109 B7R1.2 C[C@@H]1CCC(=O)O1 SC-65777 [1,0,0,1,0,0|0,0,1]=3 110 B7R1.2 C[C@@H]1COC(=O)C1 SC-45465 [1,0,0,1,0,0|2,0,0]=4 111 B7R1.2 C[C@@H]1COC(=O)N1 SC-43641 [1,0,0,1,0,0|2,0,0]=4 112 B7R1.2 C[C@@H]1COC(=O)N1 SC-51055 [1,0,0,1,0,0|2,0,0]=4 113 B7R1.2 C[C@H]1CCC(=O)O1 SC-86851 [1,0,0,1,0,0|0,0,1]=3 114 B7R1.2 O=C1C=CC(Cl)O1 SC-69817 [1,0,0,1,0,0|1,0,0]=3 115 B7R1.2 O=C1CCC(Cl)O1 SC-69818 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.2 O=C1OCC(F)O1 SC-19199 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.12 CC1CC1C(=O)Cl SC-60998 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.12 CC1CC1C(=O)O SC-71058 [1,0,0,1,0,0|0,0,1]=3 119 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,1,0,0|1,0,1]=4 120 B7R1.1 CCN1C=CC=N1 SC-28162 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.1 CNC1=CC=CO1 SC-51291 [1,0,0,1,0,0|1,0,1]=4 122 B7R1.1 COC1=CC=CO1 SC-21425 [1,0,0,1,0,0|1,0,1]=4 123 B7R1.1 N#CC1=CCCC1 SC-50518 [1,0,0,1,0,0|1,0,1]=4 124 B9R1.7 CCCC1=CC=C(Br)O1 SC-69515 [0,1,0,1,0,0|1,0,0]=3 125 B9R1.7 CCCC1=CC=C(Br)S1 SC-69538 [0,1,0,1,0,0|1,1,0]=4 126 B9R1.7 CCCC1CCC(=O)O1 SC-52458 [0,1,0,1,0,0|0,0,2]=4 127 B9R1.13 O=C(O)C=C1CCCC1 SC-36663 [0,1,0,1,0,0|0,0,0]=2 128 B9R1.13 O=C(O)CC1CCCC1 SC-65869 [0,1,0,1,0,0|0,0,2]=4 129 B9R1.13 O=C(O)CC1CCNC1 SC-48282 [0,1,0,1,0,0|0,0,2]=4 130 B9R1.34 CC1=CC(O)=CC(=O)O1 SC-53888 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.34 CC1CC(O)=CC(=O)O1 SC-53500 [0,1,0,1,0,0|0,0,0]=2 132 B9R1.41 CC1=C(C(=O)O)SC=C1 SC-02755 [0,1,0,1,0,0|0,0,2]=4 133 B9R1.41 CN1C=NC=C1C(=O)O SC-21088 [0,1,0,1,0,0|1,0,1]=4 134 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-21501 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-28867 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-52270 [0,1,0,1,0,0|0,0,2]=4 137 B9R1.41 CN1CCC[C@H]1C(=O)O SC-23602 [0,1,0,1,0,0|0,0,2]=4 138 B9R1.41 NC1CCCC1C(=O)O SC-29667 [0,1,0,1,0,0|0,0,2]=4 139 B9R1.41 NC1CCNC1C(=O)O SC-49345 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.41 NC1CCSC1C(=O)O SC-29866 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.41 O=C(O)C1CCCC1=O SC-53677 [0,1,0,1,0,0|0,0,1]=3 142 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.1 CCC1=CC=C(O)C=C1 SC-47139 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.1 CCC1=CN=C(O)C=C1 SC-69260 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.11 COC(=O)C1CCCO1 SC-03960 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.11 NNC(=O)C1=CCCC1 SC-40083 [0,1,0,1,0,0|1,0,0]=3 147 B9R1.21 CCC1=NC=C(C=O)O1 SC-32508 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.21 CCN1C=CC(C=O)=N1 SC-49067 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.79 COC(=O)CC1CCC1 SC-34808 [0,1,0,1,0,0|0,0,2]=4 150 B9R1.6 O=C(Cl)C1=CCCCC1 SC-61008 [0,1,0,1,0,0|1,0,0]=3 151 B9R1.6 O=C(O)C1=CCCCC1 SC-44267 [0,1,0,1,0,0|0,0,0]=2 152 B9R1.6 O=C(O)C1=CCCCO1 SC-26873 [0,1,0,1,0,0|0,0,0]=2 153 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.6 O=C(O)C1=CCCSC1 SC-51278 [0,1,0,1,0,0|0,0,0]=2 155 B9R1.6 O=C(O)C1=CCNCC1 SC-49604 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.6 O=C(O)C1=CCNCC1 SC-49605 [0,1,0,1,0,0|0,0,0]=2 157 B9R1.6 O=C(O)C1CC=CCC1 SC-79651 [0,1,0,1,0,0|0,0,2]=4 158 B9R1.6 O=C(O)C1CCCNC1 SC-04844 [0,1,0,1,0,0|0,0,2]=4 159 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.6 O=C(O)C1CNCCS1 SC-49246 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.6 [C@H]1(C(=O)O)CCCNC1 SC-05572 [0,1,0,1,0,0|0,0,2]=4 163 B9R1.84 O=C(O)\C=C\C1CCC1 SC-14219 [0,1,0,1,0,0|0,0,0]=2 164 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,1,0,1,0,0|0,0,0]=2 165 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.112 N[C@@H](CC1CC1)C(=O)O SC-20866 [0,1,0,1,0,0|0,0,2]=4 173 B9R1.163 CC1(C(=O)O)CCCN1 SC-26124 [0,1,0,1,0,0|1,0,1]=4