0 B7R0.4 C#CCCCC(=O)O SC-73017 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.4 C#CCNCC(=O)O SC-10418 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.4 C#CCNCC(=O)O SC-10419 [0,0,0,0,0,0|1,0,2]=3 3 B7R0.4 C#CCNCC(=O)O SC-65650 [0,0,0,0,0,0|1,0,2]=3 4 B7R0.4 C=CCCC[N+](=O)[O-] SC-89901 [0,0,0,0,0,0|1,0,3]=4 5 B7R0.4 C=CCNCC(=O)O SC-74362 [0,0,0,0,0,0|1,0,2]=3 6 B7R0.4 C=CCOCC(=O)O SC-49027 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.4 CCCC#CC(=O)O SC-96568 [0,0,0,0,0,0|0,0,2]=2 8 B7R0.4 CCCNCC(=O)O SC-97541 [0,0,0,0,0,0|1,0,0]=1 9 B7R0.4 CCCSCC(=O)O SC-45283 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.4 CCC\C=C\C(C)=O SC-49007 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.4 CCO\C=C\C(=O)Cl SC-50076 [0,0,0,0,0,0|2,0,2]=4 12 B7R0.4 CCO\C=C\C(=O)O SC-89061 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.4 CNCCCC(=O)O SC-49793 [0,0,0,0,0,0|1,0,0]=1 14 B7R0.4 CNCCCC(=O)O SC-A2900 [0,0,0,0,0,0|1,0,0]=1 15 B7R0.4 CNCCCN(C)C SC-95620 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.4 COCCCC(=O)O SC-51378 [0,0,0,0,0,0|1,0,0]=1 17 B7R0.4 COCCNC(N)=O SC-62189 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.4 C\C=C\CCC(=O)O SC-21245 [0,0,0,0,0,0|0,0,2]=2 19 B7R0.4 NC(=O)CCCCBr SC-98143 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.4 NCCCCC(=O)O SC-10120 [0,0,0,0,0,0|1,0,0]=1 21 B7R0.4 NCCCCC(=O)O SC-92391 [0,0,0,0,0,0|1,0,0]=1 22 B7R0.4 NCCCCC(N)=O SC-94858 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.4 NCCCCC(N)=O SC-A4262 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.4 NCCNCC(=O)O SC-21750 [0,0,0,0,0,0|2,0,0]=2 25 B7R0.4 O=C(Cl)CCCCBr SC-13447 [0,0,0,0,0,0|2,0,0]=2 26 B7R0.4 O=C(Cl)CCCCCl SC-16009 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.4 O=C(O)CCCCBr SC-02338 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.4 O=C([O-])COCCO SC-A2671 [0,0,0,0,0,0|2,0,1]=3 29 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,2]=3 31 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 33 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|3,0,0]=4 34 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,0]=2 35 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,2]=3 36 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,0]=3 42 B6R0.4 O=C(O)C#CCO SC-89192 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,0]=2 44 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,2]=4 45 B6R0.6 BrCCCCCBr SC-00350 [1,0,0,0,0,0|2,0,1]=4 46 B6R0.6 C#CCCCCN SC-A3767 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 C#CCCCCO SC-87514 [1,0,0,0,0,0|0,0,3]=4 48 B6R0.6 C=CCCCCBr SC-27023 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 CCCCCNC SC-25672 [1,0,0,0,0,0|2,0,0]=3 50 B6R0.6 CCCCON=O SC-70750 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 CCC\C=C\C=O SC-25240 [1,0,0,0,0,0|0,0,2]=3 52 B6R0.6 CCOCCCO SC-00354 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CNCCCCO SC-13108 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.6 CNCCCNC SC-47576 [1,0,0,0,0,0|3,0,0]=4 55 B6R0.6 CNCCCOC SC-51293 [1,0,0,0,0,0|3,0,0]=4 56 B6R0.6 COCCCCCl SC-01876 [1,0,0,0,0,0|2,0,1]=4 57 B6R0.6 COCCCOC SC-47077 [1,0,0,0,0,0|3,0,0]=4 58 B6R0.6 COCCN=C=O SC-72245 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.6 C\C=C\CCCO SC-48265 [1,0,0,0,0,0|0,0,3]=4 60 B6R0.6 FCCCCCBr SC-45318 [1,0,0,0,0,0|2,0,1]=4 61 B6R0.6 ICCCCCI SC-82357 [1,0,0,0,0,0|2,0,1]=4 62 B6R0.6 N#CCCCCCl SC-16304 [1,0,0,0,0,0|2,0,1]=4 63 B6R0.6 NCCCCCN SC-35536 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.6 NCCCCCO SC-20467 [1,0,0,0,0,0|1,0,1]=3 65 B6R0.6 NCCNCCO SC-66587 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 NCCOCCO SC-49862 [1,0,0,0,0,0|2,0,1]=4 67 B6R0.6 O=CCCCCCl SC-A3300 [1,0,0,0,0,0|1,0,0]=2 68 B6R0.6 OCCCCCBr SC-43699 [1,0,0,0,0,0|1,0,1]=3 69 B6R0.6 OCCCCCO SC-69222 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.6 OCCOCCO SC-79348 [1,0,0,0,0,0|2,0,1]=4 71 B8R0.5 CCOC(=O)CC(=O)O SC-17786 [0,1,0,0,0,0|1,0,1]=3 72 B8R0.5 CCOC(=O)CC(=O)[O-] SC-26967 [0,1,0,0,0,0|1,0,2]=4 73 B8R0.6 C#CCCCC(=O)OC SC-82496 [0,1,0,0,0,0|0,0,2]=3 74 B8R0.6 CCCSCC(=O)OC SC-44744 [0,1,0,0,0,0|1,0,0]=2 75 B8R0.6 COC(=O)CCCCBr SC-66180 [0,1,0,0,0,0|1,0,0]=2 76 B8R0.7 C#CCCCCC(=O)O SC-20440 [0,1,0,0,0,0|0,0,1]=2 77 B8R0.7 C#CCOCCC(=O)O SC-A2263 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.7 CCCCCCB(O)O SC-97201 [0,1,0,0,0,0|1,0,1]=3 79 B8R0.7 CCCCCCC(C)O SC-47133 [0,1,0,0,0,0|1,0,1]=3 80 B8R0.7 CCCCOCC(=O)O SC-22619 [0,1,0,0,0,0|0,0,0]=1 81 B8R0.7 CCCCSCC(=N)N SC-38959 [0,1,0,0,0,0|2,0,0]=3 82 B8R0.7 COCCOCC(=O)O SC-89730 [0,1,0,0,0,0|1,0,0]=2 83 B8R0.7 N=C(N)NCCCCN SC-43917 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.7 N=C(N)NCCCCN SC-48324 [0,1,0,0,0,0|3,0,0]=4 85 B8R0.7 NCCCCCC(=O)O SC-10067 [0,1,0,0,0,0|0,0,0]=1 86 B8R0.7 O=C(O)CCCCCBr SC-04420 [0,1,0,0,0,0|0,0,0]=1 87 B8R0.7 O=C(O)CCCCCO SC-17400 [0,1,0,0,0,0|0,0,0]=1 88 B8R0.7 O=C(O)CCOCCBr SC-A2260 [0,1,0,0,0,0|1,0,0]=2 89 B8R0.7 O=C([O-])CCCCCO SC-82416 [0,1,0,0,0,0|0,0,1]=2 90 B8R0.7 O=[N+]([O-])OCCCCO SC-13995 [0,1,0,0,0,0|2,0,1]=4 91 B8R0.8 CCCCC(=O)C(=O)[O-] SC-94857 [0,1,0,0,0,0|0,0,2]=3 92 B8R0.8 CCCCC(N)C(=O)O SC-10365 [0,1,0,0,0,0|0,0,0]=1 93 B8R0.8 CCCC[C@@H](N)C(=O)O SC-10363 [0,1,0,0,0,0|0,0,0]=1 94 B8R0.8 CSCCC(N)C(N)=O SC-15811 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.8 CSCC[C@@H](N)C(=O)O SC-09743 [0,1,0,0,0,0|1,0,0]=2 96 B8R0.8 C[Se]CC[C@H](N)C(=O)O SC-19961 [0,1,0,0,0,0|1,0,0]=2 97 B8R0.8 NCCCC(N)C(=O)O SC-10385 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.8 NCCCC(N)C(=O)O SC-48991 [0,1,0,0,0,0|1,0,0]=2 99 B8R0.8 NCCC[C@H](N)C(=O)O SC-18299 [0,1,0,0,0,0|1,0,0]=2 100 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,1,0,0,0,0|0,0,2]=3 101 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|0,0,1]=2 102 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|2,0,1]=4 103 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|2,0,1]=4 104 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|2,0,1]=4 105 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|1,0,1]=3 106 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,1,0,0,0,0|1,0,1]=3 107 B8R0.21 CCCCCS(=O)(=O)O SC-90285 [0,1,0,0,0,0|1,0,0]=2 108 B8R0.21 CCCCCS(=O)(=O)[O-] SC-15136 [0,1,0,0,0,0|1,0,1]=3 109 B8R0.21 O=S(=O)(Cl)CCCCCl SC-87338 [0,1,0,0,0,0|2,0,1]=4 110 B8R0.21 O=S(=O)(O)CCCCO SC-53329 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.21 O=S(=O)([O-])CCCCO SC-A2357 [0,1,0,0,0,0|2,0,1]=4 112 B8R0.21 O=S(=O)([O-])CCCCO SC-A3477 [0,1,0,0,0,0|2,0,1]=4 113 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,1,0,0,0,0|0,0,2]=3 114 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,1,0,0,0,0|1,0,2]=4 116 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,1,0,0,0,0|2,0,1]=4 117 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 C=CC1COC(=O)O1 SC-15987 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.1 NCC1CCC(=O)N1 SC-53656 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.1 NC[C@@H]1CCC(=O)N1 SC-44056 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.1 O=C1CC(CO)CN1 SC-66045 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.1 O=C1CC[C@@H](CO)N1 SC-09020 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.1 O=C1CC[C@@H](CO)O1 SC-03496 [0,0,0,1,0,0|1,0,0]=2 124 B8R1.1 O=C1CC[C@H](CO)N1 SC-19648 [0,0,0,1,0,0|2,0,0]=3 125 B8R1.1 O=C1N[C@@H](CO)CO1 SC-33166 [0,0,0,1,0,0|3,0,0]=4 126 B8R1.1 [C@H]1(CBr)CCC(=O)N1 SC-23592 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.4 CC1CC(=O)CCN1 SC-14913 [0,0,0,1,0,0|2,0,0]=3 128 B8R1.4 CC1CC(=O)CCN1 SC-26346 [0,0,0,1,0,0|2,0,0]=3 129 B8R1.4 CC1CC(=O)CCO1 SC-43658 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.4 CC1CC(O)CCO1 SC-15639 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.4 CC1CCCC(=O)N1 SC-90092 [0,0,0,1,0,0|1,0,0]=2 132 B8R1.4 CC1CCNC(=O)C1 SC-65553 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.4 CC1CNCC(=O)N1 SC-68745 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.4 CN1CCCC(=O)C1 SC-88063 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.4 CN1CCNC(=O)C1 SC-43594 [0,0,0,1,0,0|3,0,0]=4 136 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 SC-53240 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.4 C[C@H]1CNC[C@@H](C)O1 SC-15727 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.4 C[C@H]1CNC[C@H](C)O1 SC-50936 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.4 C[C@H]1COCC(=O)N1 SC-82343 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.4 NC1=CC(=O)CCC1 SC-18537 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 NC1CCCC(O)C1 SC-19361 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-43595 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 N[C@@H]1CCC[C@@H](O)C1 SC-47974 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 N[C@@H]1CCC[C@H](O)C1 SC-43598 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-12531 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.4 N[C@H]1CCC[C@@H](O)C1 SC-43597 [0,0,0,1,0,0|2,0,1]=4 147 B8R1.4 O=C1CC(O)CCN1 SC-14921 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.4 O=C1CC(O)CCN1 SC-26449 [0,0,0,1,0,0|3,0,0]=4 149 B8R1.4 O=C1CCCC(=O)C1 SC-16085 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.4 O=C1CCCC(=O)N1 SC-65454 [0,0,0,1,0,0|2,0,1]=4 151 B8R1.4 O=C1CCCC(=O)O1 SC-43876 [0,0,0,1,0,0|1,0,1]=3 152 B8R1.4 O=C1CCCC(O)C1 SC-52929 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.4 O=C1COCC(=O)O1 SC-26890 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.7 CC(=O)C1CCCC1 SC-69830 [0,0,0,1,0,0|1,0,0]=2 155 B8R1.7 NC(=O)C1CCCN1 SC-24789 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.7 NC(=O)C1CCNC1 SC-A3191 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.7 NC(=O)[C@@H]1CCCN1 SC-06632 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.7 O=C(Cl)C1CCCC1 SC-45320 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.7 O=C(Cl)N1CCCC1 SC-72914 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.7 O=C(O)C1=CCCC1 SC-65352 [0,0,0,1,0,0|0,0,2]=3 161 B8R1.7 O=C(O)C1CC=CC1 SC-25940 [0,0,0,1,0,0|0,0,2]=3 162 B8R1.7 O=C(O)C1CCCC1 SC-18675 [0,0,0,1,0,0|0,0,0]=1 163 B8R1.7 O=C(O)C1CCCN1 SC-09807 [0,0,0,1,0,0|1,0,0]=2 164 B8R1.7 O=C(O)C1CCCO1 SC-A4307 [0,0,0,1,0,0|1,0,0]=2 165 B8R1.7 O=C(O)C1CCOC1 SC-21248 [0,0,0,1,0,0|1,0,0]=2 166 B8R1.7 O=C(O)[C@@H]1CCCN1 SC-09806 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.7 O=C(O)[C@@H]1CCNC1 SC-48463 [0,0,0,1,0,0|1,0,0]=2 168 B8R1.7 O=C(O)[C@@H]1CCOC1 SC-25192 [0,0,0,1,0,0|1,0,0]=2 169 B8R1.7 O=C(O)[C@@H]1CSCN1 SC-77532 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.7 O=C(O)[C@H]1CCCN1 SC-09805 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.7 O=C(O)[C@H]1CCCO1 SC-07092 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.7 O=C(O)[C@H]1CCNC1 SC-25206 [0,0,0,1,0,0|1,0,0]=2 173 B8R1.7 OB(O)C1CCCC1 SC-58324 [0,0,0,1,0,0|1,0,1]=3 174 B8R1.7 S=C([S-])N1CCCC1 SC-15169 [0,0,0,1,0,0|1,2,0]=4 175 B8R1.7 [C@H]1(C(=O)O)CCNC1 SC-48462 [0,0,0,1,0,0|1,0,0]=2 176 B8R1.7 [C@H]1(C(N)=O)CCCN1 SC-13550 [0,0,0,1,0,0|2,0,0]=3 177 B8R1.22 NC1CCCCCC1 SC-51775 [0,0,0,1,0,0|2,0,1]=4 178 B8R1.22 O=C1C=CCCCC1 SC-99582 [0,0,0,1,0,0|1,0,1]=3 179 B8R1.22 O=C1CCCNCC1 SC-20974 [0,0,0,1,0,0|2,0,0]=3 180 B8R1.22 O=C1CCCNCC1 SC-20993 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.22 O=C1CCNCCN1 SC-05951 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.22 O=C1CNCCCN1 SC-21981 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.34 O=C(O)CC1CCC1 SC-26391 [0,0,0,1,0,0|0,0,0]=1 184 B8R1.34 O=C(O)CC1COC1 SC-70807 [0,0,0,1,0,0|1,0,0]=2 185 B8R1.34 O=C(O)CN1CCC1 SC-A4384 [0,0,0,1,0,0|1,0,0]=2 186 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|0,0,0]=1 187 B8R1.72 CC1(O)CCCCC1 SC-44648 [0,0,0,1,0,0|1,0,1]=3 188 B8R1.72 FC1(F)CCCCC1 SC-88951 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.72 O=S1(=O)CCCCN1 SC-48177 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.72 O=S1(=O)CCCCO1 SC-15335 [0,0,0,1,0,0|2,0,1]=4 191 B8R1.72 O=S1(=O)CCNCC1 SC-04097 [0,0,0,1,0,0|2,0,1]=4 192 B8R1.72 O=S1(=O)CCNCC1 SC-05623 [0,0,0,1,0,0|2,0,1]=4 193 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 194 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 195 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 196 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|2,0,0]=4 197 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 199 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 200 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 201 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 202 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 203 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 204 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 205 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 206 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 207 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 208 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 209 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 212 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 213 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.2 C=CCCCBr SC-47340 [2,0,0,0,0,0|1,0,1]=4 217 B5R0.2 C=CCCCN SC-28944 [2,0,0,0,0,0|1,0,1]=4 218 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|0,0,2]=4 219 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 220 B5R0.2 CCCCNN SC-68008 [2,0,0,0,0,0|2,0,0]=4 221 B5R0.2 CCSCCCl SC-43710 [2,0,0,0,0,0|2,0,0]=4 222 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,0]=3 223 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.2 COCCCBr SC-20920 [2,0,0,0,0,0|2,0,0]=4 225 B5R0.2 ClCCCCBr SC-17538 [2,0,0,0,0,0|2,0,0]=4 226 B5R0.2 FCCCCBr SC-43880 [2,0,0,0,0,0|2,0,0]=4 227 B5R0.2 ICCCCI SC-69402 [2,0,0,0,0,0|2,0,0]=4 228 B5R0.2 NCCCCCl SC-14246 [2,0,0,0,0,0|2,0,0]=4 229 B5R0.2 NCCCCN SC-20919 [2,0,0,0,0,0|2,0,0]=4 230 B5R0.2 NCCCCO SC-48186 [2,0,0,0,0,0|1,0,0]=3 231 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 232 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,0]=3 233 B5R0.2 OCCCCBr SC-12645 [2,0,0,0,0,0|1,0,0]=3 234 B5R0.2 OCCCCCl SC-23109 [2,0,0,0,0,0|1,0,0]=3 235 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|0,0,0]=2 236 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|0,0,0]=2 237 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,1]=4 239 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.3 C#CCCC(=O)OC SC-92252 [1,1,0,0,0,0|0,0,2]=4 242 B7R0.3 CCCCC(=N)OC SC-91480 [1,1,0,0,0,0|1,0,0]=3 243 B7R0.3 CCCCC(O)CO SC-74356 [1,1,0,0,0,0|0,0,2]=4 244 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|1,0,1]=4 245 B7R0.3 COC(=O)CCCCl SC-15079 [1,1,0,0,0,0|1,0,0]=3 246 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|1,0,0]=3 247 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [1,1,0,0,0,0|1,0,1]=4 248 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,1,0,0,0,0|0,0,2]=4 249 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,1,0,0,0,0|0,0,2]=4 250 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,2]=4 251 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,2]=4 252 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,2]=4 253 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,2]=4 254 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,0]=2 256 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,1,0,0,0,0|1,0,1]=4 257 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,0]=3 258 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,0]=3 259 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,0]=3 260 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|1,0,0]=3 261 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|1,0,0]=3 262 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|1,0,0]=3 263 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|1,0,0]=3 264 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|1,0,0]=3 265 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|1,0,0]=3 266 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|1,0,0]=3 267 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,1,0,0,0,0|1,0,0]=3 268 B7R0.6 CC(=O)OCC(C)C SC-25600 [1,1,0,0,0,0|2,0,0]=4 269 B7R0.6 CC(C)CCC(=O)O SC-57917 [1,1,0,0,0,0|0,0,0]=2 270 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [1,1,0,0,0,0|1,0,1]=4 271 B7R0.6 CC(C)OCC(=O)O SC-88240 [1,1,0,0,0,0|1,0,0]=3 272 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [1,1,0,0,0,0|1,0,0]=3 273 B7R0.6 CC(O)CCC(C)O SC-92842 [1,1,0,0,0,0|1,0,1]=4 274 B7R0.6 CN(C)CCC(=O)O SC-84721 [1,1,0,0,0,0|1,0,0]=3 275 B7R0.6 CN(C)CCC(=O)O SC-98010 [1,1,0,0,0,0|1,0,0]=3 276 B7R0.6 CN(C)CCC(N)=O SC-89196 [1,1,0,0,0,0|2,0,0]=4 277 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [1,1,0,0,0,0|1,0,0]=3 278 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [1,1,0,0,0,0|1,0,1]=4 279 B7R0.6 O=C(O)CCC(=O)O SC-47173 [1,1,0,0,0,0|1,0,1]=4 280 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 281 B7R0.8 NCCCS(=O)(=O)O SC-17979 [1,1,0,0,0,0|2,0,0]=4 282 B7R0.1 BrCCCCCCBr SC-05920 [1,1,0,0,0,0|1,0,1]=4 283 B7R0.1 C#CCCCCCCl SC-52143 [1,1,0,0,0,0|1,0,1]=4 284 B7R0.1 C#CCCCCCO SC-47536 [1,1,0,0,0,0|0,0,2]=4 285 B7R0.1 C=CCCCCCBr SC-44229 [1,1,0,0,0,0|1,0,0]=3 286 B7R0.1 CCCCCN=C=S SC-05979 [1,1,0,0,0,0|0,1,1]=4 287 B7R0.1 CCCCOCCCl SC-41513 [1,1,0,0,0,0|1,0,1]=4 288 B7R0.1 CCCCSCC#N SC-96134 [1,1,0,0,0,0|1,0,1]=4 289 B7R0.1 COCCOCC=O SC-99722 [1,1,0,0,0,0|1,0,0]=3 290 B7R0.1 ClCCCCCCBr SC-99457 [1,1,0,0,0,0|1,0,1]=4 291 B7R0.1 ClCCCCCCCl SC-26774 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.1 ClCCCCCCI SC-51061 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.1 NCCCCCCO SC-47381 [1,1,0,0,0,0|0,0,1]=3 294 B7R0.1 O=CCCCCCO SC-94633 [1,1,0,0,0,0|0,0,0]=2 295 B7R0.1 OCCCCCCBr SC-23167 [1,1,0,0,0,0|0,0,1]=3 296 B7R0.7 CC(CCO)CCO SC-15062 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.7 CCC[C@H](N)CCO SC-A3499 [1,1,0,0,0,0|0,0,1]=3 298 B7R0.7 CCOC(=O)CC=O SC-14726 [1,1,0,0,0,0|1,0,1]=4 299 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|1,0,1]=4 300 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,2,0,0,0,0|0,0,0]=2 301 B9R0.53 CC(CC(=O)O)CC(=O)O SC-15126 [0,2,0,0,0,0|1,0,1]=4 302 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,2,0,0,0,0|0,0,1]=3 303 B9R0.1 COC(=O)CCC[N+](=O)[O-] SC-70223 [0,2,0,0,0,0|2,0,0]=4 304 B9R0.5 CCOC(=O)CCCCBr SC-01170 [0,2,0,0,0,0|1,0,0]=3 305 B9R0.5 CCOC(=O)COCCCl SC-50034 [0,2,0,0,0,0|2,0,0]=4 306 B9R0.8 COC(=O)C(Br)CCCBr SC-A2626 [0,2,0,0,0,0|1,0,0]=3 307 B9R0.8 COC(=O)C(N)CCSC SC-17534 [0,2,0,0,0,0|1,0,0]=3 308 B9R0.24 CCC(=O)CCC(=O)CC SC-89953 [0,2,0,0,0,0|1,0,1]=4 309 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|1,0,1]=4 310 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,2,0,0,0,0|1,0,1]=4 311 B9R0.46 CCCCCCC(O)CO SC-79225 [0,2,0,0,0,0|0,0,2]=4 312 B9R0.46 COC(=O)CCCCC=O SC-92554 [0,2,0,0,0,0|0,0,1]=3 313 B9R0.46 COC(=O)CCCCCBr SC-02787 [0,2,0,0,0,0|0,0,0]=2 314 B9R0.46 COC(=O)CCCCCN SC-B3833 [0,2,0,0,0,0|0,0,0]=2 315 B9R0.47 C=CCSCC(N)C(=O)O SC-10024 [0,2,0,0,0,0|0,0,2]=4 316 B9R0.47 CCCCCC(N)C(=O)O SC-10084 [0,2,0,0,0,0|0,0,0]=2 317 B9R0.47 CCCCCC(N)C(=O)O SC-10085 [0,2,0,0,0,0|0,0,0]=2 318 B9R0.47 CCCCC[C@@H](N)C(=O)O SC-10086 [0,2,0,0,0,0|0,0,0]=2 319 B9R0.47 CCSCCC(N)C(=O)O SC-10254 [0,2,0,0,0,0|0,0,0]=2 320 B9R0.47 NCCCCC(N)C(=O)O SC-06113 [0,2,0,0,0,0|0,0,0]=2 321 B9R0.47 NCCCCC(N)C(=O)O SC-09672 [0,2,0,0,0,0|0,0,0]=2 322 B9R0.47 NCCCCC(N)C(=O)O SC-19760 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09670 [0,2,0,0,0,0|0,0,0]=2 324 B9R0.47 NCCCC[C@H](N)C(=O)O SC-09674 [0,2,0,0,0,0|0,0,0]=2 325 B9R0.47 [C@@H](N)(CCCCN)C(=O)O SC-07335 [0,2,0,0,0,0|0,0,0]=2 326 B9R0.2 CCCCCCCC(=O)O SC-27437 [0,2,0,0,0,0|0,0,0]=2 327 B9R0.2 CCCCCCOC(=O)Cl SC-53671 [0,2,0,0,0,0|1,0,0]=3 328 B9R0.2 NCCCCCCC(=O)O SC-10087 [0,2,0,0,0,0|0,0,0]=2 329 B9R0.38 CCCCCCS(=O)(=O)[O-] SC-45417 [0,2,0,0,0,0|1,0,1]=4 330 B9R0.48 CCOC(=O)CCC(=O)Cl SC-17543 [0,2,0,0,0,0|1,0,1]=4 331 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|0,0,1]=3 332 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,2,0,0,0,0|1,0,1]=4 333 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,2,0,0,0,0|0,0,1]=3 334 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,2,0,0,0,0|1,0,1]=4 335 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,2,0,0,0,0|0,0,2]=4 336 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,2,0,0,0,0|0,0,0]=2 337 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,2,0,0,0,0|1,0,1]=4 338 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,2,0,0,0,0|1,0,1]=4 339 B9R0.7 NC(=O)CCC(N)C(=O)O SC-09535 [0,2,0,0,0,0|1,0,1]=4 340 B9R0.7 NC(=O)[C@@H](N)CCC(=O)O SC-94352 [0,2,0,0,0,0|1,0,1]=4 341 B9R0.7 NC(CCC(=O)O)C(=O)O SC-05406 [0,2,0,0,0,0|1,0,1]=4 342 B9R0.7 NC(CCC(=O)O)C(=O)O SC-27100 [0,2,0,0,0,0|1,0,1]=4 343 B9R0.7 N[C@H](CCC(=O)O)C(=O)O SC-09473 [0,2,0,0,0,0|1,0,1]=4 344 B9R0.7 [C@@H](N)(CCC(N)=O)C(=O)O SC-05605 [0,2,0,0,0,0|1,0,1]=4 345 B9R0.13 CCCCC(CC)C(=O)[O-] SC-15914 [0,2,0,0,0,0|0,0,1]=3 346 B9R0.13 CCCCC(CC)C(=O)[O-] SC-21305 [0,2,0,0,0,0|0,0,1]=3 347 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|1,0,1]=4 348 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|1,0,1]=4 349 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|1,0,1]=4 350 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|1,0,1]=4 351 B9R0.51 C=CCCC(C)(C)C(=O)O SC-34922 [0,2,0,0,0,0|0,0,2]=4 352 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|1,0,1]=4 353 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|1,0,0]=3 354 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|2,0,0]=4 355 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 357 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 359 B7R1.3 BrC1=CCCCC1 SC-69986 [1,0,0,1,0,0|2,0,0]=4 360 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|2,0,0]=4 361 B7R1.3 C[SiH]1CCCCO1 SC-91060 [1,0,0,1,0,0|1,1,0]=4 362 B7R1.3 ClC1CCCCO1 SC-85266 [1,0,0,1,0,0|1,0,1]=4 363 B7R1.3 O=C1C=CCCO1 SC-50374 [1,0,0,1,0,0|0,0,2]=4 364 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,0]=2 366 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|2,0,0]=4 367 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|2,0,0]=4 368 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|2,0,0]=4 369 B7R1.3 O=C1CCNCC1 SC-04236 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 372 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|2,0,0]=4 373 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|2,0,0]=4 374 B7R1.3 O=C1CNCCN1 SC-05365 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|2,0,0]=4 377 B7R1.3 O=C1CSCCN1 SC-28581 [1,0,0,1,0,0|2,0,0]=4 378 B7R1.3 OC1CCCCO1 SC-84303 [1,0,0,1,0,0|0,0,2]=4 379 B7R1.3 ON1CCCCC1 SC-13334 [1,0,0,1,0,0|2,0,0]=4 380 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|2,0,0]=4 381 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,0]=3 382 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,0]=3 383 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,0]=3 384 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,0]=3 385 B7R1.14 O=S1(=O)CCCC1 SC-46369 [1,0,0,1,0,0|1,0,1]=4 386 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 387 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,1,0,0|1,0,1]=4 388 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,1,0,0|2,0,0]=4 389 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,0]=3 390 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,0]=2 391 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,0]=3 392 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,0]=3 393 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,1,0,0|1,0,1]=4 394 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 395 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 396 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,0]=2 397 B7R1.1 BrCC1CCCC1 SC-04017 [1,0,0,1,0,0|1,0,1]=4 398 B7R1.1 BrCC1CCCO1 SC-00526 [1,0,0,1,0,0|1,0,1]=4 399 B7R1.1 C#CC1CCCC1 SC-82441 [1,0,0,1,0,0|1,0,1]=4 400 B7R1.1 CCC1CCCN1 SC-29181 [1,0,0,1,0,0|1,0,1]=4 401 B7R1.1 CNC1CCCC1 SC-52894 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.1 CNC1CCCC1 SC-A3381 [1,0,0,1,0,0|2,0,0]=4 403 B7R1.1 N#CC1CCCC1 SC-84423 [1,0,0,1,0,0|1,0,1]=4 404 B7R1.1 NCC1CCCC1 SC-22285 [1,0,0,1,0,0|1,0,1]=4 405 B7R1.1 NCC1CCCC1 SC-25234 [1,0,0,1,0,0|1,0,1]=4 406 B7R1.1 NC[C@@H]1CCCO1 SC-28608 [1,0,0,1,0,0|1,0,1]=4 407 B7R1.1 NNC1CCCC1 SC-12771 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.1 NNC1CCCC1 SC-62645 [1,0,0,1,0,0|2,0,0]=4 409 B7R1.1 O=CC1CCCC1 SC-21778 [1,0,0,1,0,0|0,0,0]=2 410 B7R1.1 O=CC1CCCC1 SC-44728 [1,0,0,1,0,0|0,0,0]=2 411 B7R1.1 O=CC1CCNC1 SC-85271 [1,0,0,1,0,0|1,0,0]=3 412 B7R1.1 OCC1CCCC1 SC-03842 [1,0,0,1,0,0|0,0,1]=3 413 B7R1.1 OCC1CCCN1 SC-12006 [1,0,0,1,0,0|1,0,1]=4 414 B7R1.1 OCC1CCCO1 SC-94849 [1,0,0,1,0,0|1,0,1]=4 415 B7R1.1 OCC1CCOC1 SC-21250 [1,0,0,1,0,0|1,0,1]=4 416 B7R1.1 OC[C@@H]1CCCN1 SC-02696 [1,0,0,1,0,0|1,0,1]=4 417 B7R1.1 OC[C@@H]1CCCN1 SC-48321 [1,0,0,1,0,0|1,0,1]=4 418 B7R1.1 OC[C@@H]1CCCO1 SC-20330 [1,0,0,1,0,0|1,0,1]=4 419 B7R1.1 OC[C@@H]1CCNC1 SC-48002 [1,0,0,1,0,0|1,0,1]=4 420 B7R1.1 OC[C@H]1CCCN1 SC-06270 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.4 CC1=CCCC1=O SC-15856 [1,0,0,1,0,0|0,0,2]=4 422 B7R1.4 CC1CCCC1=O SC-89605 [1,0,0,1,0,0|0,0,0]=2 423 B7R1.4 CC1CCNC1=O SC-21672 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.4 CC1CCOC1=O SC-20996 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.4 CN1CCNC1=O SC-89793 [1,0,0,1,0,0|2,0,0]=4 426 B7R1.4 NC1CCCC1O SC-21764 [1,0,0,1,0,0|1,0,1]=4 427 B7R1.4 NC1CCNC1=O SC-13910 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.4 NC1CCNC1=O SC-53072 [1,0,0,1,0,0|2,0,0]=4 429 B7R1.4 N[C@@H]1CCNC1=O SC-65959 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.4 N[C@@H]1CCNC1=O SC-A2225 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.4 N[C@@H]1CCOC1=O SC-28003 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.4 N[C@H]1CCC[C@@H]1O SC-27686 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.4 N[C@H]1CCNC1=O SC-96457 [1,0,0,1,0,0|2,0,0]=4 434 B7R1.4 N[C@H]1CCOC1=O SC-01385 [1,0,0,1,0,0|2,0,0]=4 435 B7R1.4 N[C@H]1CCOC1=O SC-28113 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.4 O=C1CCCC1Cl SC-21538 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.4 O=C1NCCC1O SC-26159 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.4 O=C1NCC[C@H]1O SC-87526 [1,0,0,1,0,0|2,0,0]=4 439 B7R1.4 O=C1OCCC1Br SC-15437 [1,0,0,1,0,0|2,0,0]=4 440 B7R1.4 O[C@@H]1CCC[C@H]1O SC-A2623 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.4 [C@@H]1(N)CCC[C@H]1O SC-16146 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.4 [C@H]1(N)CCC[C@H]1O SC-25435 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.6 NCCC1CCC1 SC-B8576 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.6 NNCC1CCC1 SC-12830 [1,0,0,1,0,0|2,0,0]=4 445 B7R1.6 OCCC1COC1 SC-53429 [1,0,0,1,0,0|1,0,1]=4 446 B9R1.7 COCC1CNC(=O)C1 SC-48746 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.13 O=C(O)CC1CCCN1 SC-49134 [0,1,0,1,0,0|0,0,0]=2 448 B9R1.13 O=C(O)CC1CCCN1 SC-70978 [0,1,0,1,0,0|0,0,0]=2 449 B9R1.13 O=C(O)CC1CCNC1 SC-53663 [0,1,0,1,0,0|0,0,0]=2 450 B9R1.13 O=C(O)CN1CCCC1 SC-69994 [0,1,0,1,0,0|0,0,0]=2 451 B9R1.13 O=C(O)C[C@@H]1CCCN1 SC-86132 [0,1,0,1,0,0|0,0,0]=2 452 B9R1.34 CC1CC(=O)CC(=O)C1 SC-26551 [0,1,0,1,0,0|1,0,1]=4 453 B9R1.34 CC1CC(=O)CC(C)N1 SC-49668 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.34 CC1CC(=O)CC(C)O1 SC-43659 [0,1,0,1,0,0|2,0,0]=4 455 B9R1.34 CC1CC(=O)OC(=O)C1 SC-68133 [0,1,0,1,0,0|1,0,1]=4 456 B9R1.34 C[C@@H]1CC(=O)C[C@@H](C)N1 SC-88301 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 SC-88300 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.41 CN1CCC[C@H]1C(=O)O SC-21471 [0,1,0,1,0,0|0,0,0]=2 459 B9R1.41 NC1CCCC1C(=O)O SC-A3650 [0,1,0,1,0,0|0,0,0]=2 460 B9R1.48 O=C1CCCCC(=O)C1 SC-14500 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.48 O=C1CCCCC(=O)O1 SC-92931 [0,1,0,1,0,0|0,0,1]=3 462 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,1,0,1,0,0|2,0,0]=4 463 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|0,0,0]=2 465 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,1,0,1,0,0|2,0,0]=4 466 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.2 CCC1CC(=O)CCN1 SC-35111 [0,1,0,1,0,0|1,0,0]=3 470 B9R1.2 O=C1CCCC(CO)N1 SC-21439 [0,1,0,1,0,0|1,0,0]=3 471 B9R1.5 OC1CCCCCC1O SC-45470 [0,1,0,1,0,0|0,0,2]=4 472 B9R1.11 COC(=O)C1=CCCC1 SC-47854 [0,1,0,1,0,0|0,0,2]=4 473 B9R1.11 COC(=O)C1CC=CC1 SC-19292 [0,1,0,1,0,0|0,0,2]=4 474 B9R1.11 COC(=O)C1CCCC1 SC-58226 [0,1,0,1,0,0|0,0,0]=2 475 B9R1.11 COC(=O)C1CCCN1 SC-01646 [0,1,0,1,0,0|1,0,0]=3 476 B9R1.11 COC(=O)C1CCCN1 SC-12256 [0,1,0,1,0,0|1,0,0]=3 477 B9R1.11 COC(=O)C1CCOC1 SC-99459 [0,1,0,1,0,0|1,0,0]=3 478 B9R1.11 COC(=O)[C@@H]1CCCN1 SC-17303 [0,1,0,1,0,0|1,0,0]=3 479 B9R1.11 COC(=O)[C@@H]1CCNC1 SC-70520 [0,1,0,1,0,0|1,0,0]=3 480 B9R1.11 COC(=O)[C@H]1CCCN1 SC-09823 [0,1,0,1,0,0|1,0,0]=3 481 B9R1.11 COC(=O)[C@H]1CCCN1 SC-50892 [0,1,0,1,0,0|1,0,0]=3 482 B9R1.11 O=C(CBr)C1CCCC1 SC-14732 [0,1,0,1,0,0|1,0,0]=3 483 B9R1.11 O=C(CCl)N1CCCC1 SC-71359 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.50 O=C1CCCCCCC1 SC-19957 [0,1,0,1,0,0|1,0,0]=3 486 B9R1.50 O=C1CCCCCCN1 SC-84294 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.118 C#CC1(O)CCCCC1 SC-26687 [0,1,0,1,0,0|1,0,1]=4 488 B9R1.118 CC1(CO)CCCCC1 SC-94042 [0,1,0,1,0,0|1,0,1]=4 489 B9R1.118 NCC1(O)CCCCC1 SC-39594 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.6 CC(=O)C1CCNCC1 SC-48315 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.6 CC(=O)C1CCOCC1 SC-66039 [0,1,0,1,0,0|1,0,0]=3 492 B9R1.6 CC(=O)N1CCNCC1 SC-00989 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.6 CC(O)C1CCCCC1 SC-22092 [0,1,0,1,0,0|1,0,1]=4 494 B9R1.6 NC(=O)C1CCNCC1 SC-04160 [0,1,0,1,0,0|1,0,0]=3 495 B9R1.6 O=C(Cl)C1CCCCC1 SC-22783 [0,1,0,1,0,0|1,0,0]=3 496 B9R1.6 O=C(Cl)C1CCOCC1 SC-49140 [0,1,0,1,0,0|1,0,0]=3 497 B9R1.6 O=C(O)C1=CCCNC1 SC-99979 [0,1,0,1,0,0|0,0,2]=4 498 B9R1.6 O=C(O)C1CC=CCC1 SC-19459 [0,1,0,1,0,0|0,0,1]=3 499 B9R1.6 O=C(O)C1CCCCC1 SC-22688 [0,1,0,1,0,0|0,0,0]=2 500 B9R1.6 O=C(O)C1CCCCN1 SC-03317 [0,1,0,1,0,0|0,0,0]=2 501 B9R1.6 O=C(O)C1CCCCN1 SC-04307 [0,1,0,1,0,0|0,0,0]=2 502 B9R1.6 O=C(O)C1CCCCN1 SC-05144 [0,1,0,1,0,0|0,0,0]=2 503 B9R1.6 O=C(O)C1CCCCO1 SC-27357 [0,1,0,1,0,0|0,0,0]=2 504 B9R1.6 O=C(O)C1CCCOC1 SC-49188 [0,1,0,1,0,0|0,0,0]=2 505 B9R1.6 O=C(O)C1CCNCC1 SC-04843 [0,1,0,1,0,0|0,0,0]=2 506 B9R1.6 O=C(O)C1CCOCC1 SC-05124 [0,1,0,1,0,0|0,0,0]=2 507 B9R1.6 O=C(O)C1CNCCN1 SC-21327 [0,1,0,1,0,0|1,0,0]=3 508 B9R1.6 O=C(O)C1CNCCO1 SC-27398 [0,1,0,1,0,0|1,0,0]=3 509 B9R1.6 O=C(O)C1CNCCS1 SC-A2935 [0,1,0,1,0,0|1,0,0]=3 510 B9R1.6 O=C(O)C1COCCN1 SC-22999 [0,1,0,1,0,0|1,0,0]=3 511 B9R1.6 O=C(O)C1COCCN1 SC-25354 [0,1,0,1,0,0|1,0,0]=3 512 B9R1.6 O=C(O)C1COCCN1 SC-27629 [0,1,0,1,0,0|1,0,0]=3 513 B9R1.6 O=C(O)C1CSCCN1 SC-47973 [0,1,0,1,0,0|1,0,0]=3 514 B9R1.6 O=C(O)N1CCSCC1 SC-33160 [0,1,0,1,0,0|1,0,0]=3 515 B9R1.6 O=C(O)[C@@H]1CC=CCC1 SC-92067 [0,1,0,1,0,0|0,0,1]=3 516 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-08890 [0,1,0,1,0,0|1,0,0]=3 517 B9R1.6 O=C(O)[C@@H]1CNCCN1 SC-12480 [0,1,0,1,0,0|1,0,0]=3 518 B9R1.6 O=C(O)[C@@H]1CSCCN1 SC-82353 [0,1,0,1,0,0|1,0,0]=3 519 B9R1.6 O=C(O)[C@H]1CC=CCC1 SC-65686 [0,1,0,1,0,0|0,0,1]=3 520 B9R1.6 O=C(O)[C@H]1CCCCN1 SC-01680 [0,1,0,1,0,0|0,0,0]=2 521 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-00676 [0,1,0,1,0,0|1,0,0]=3 522 B9R1.6 O=C(O)[C@H]1CNCCN1 SC-12519 [0,1,0,1,0,0|1,0,0]=3 523 B9R1.6 O=C(O)[C@H]1CSCCN1 SC-33694 [0,1,0,1,0,0|1,0,0]=3 524 B9R1.6 OB(O)C1CCCCC1 SC-86762 [0,1,0,1,0,0|1,0,1]=4 525 B9R1.6 [C@@H]1(C(=O)O)CCCNC1 SC-02884 [0,1,0,1,0,0|0,0,0]=2 526 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|0,0,0]=2 527 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,1,0,1,0,0|0,0,0]=2 528 B9R1.84 O=[N+]([O-])CCC1CCC1 SC-50111 [0,1,0,1,0,0|1,0,1]=4 529 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,1,0,1,0,0|1,0,0]=3 531 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,1,0,1,0,0|1,0,0]=3 534 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,1,0,1,0,0|0,0,0]=2 535 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,1,0,1,0,0|0,0,0]=2 536 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,1,0,1,0,0|0,0,0]=2 537 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,1,0,1,0,0|0,0,0]=2 538 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,1,0,1,0,0|0,0,2]=4 539 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,1,0,1,0,0|0,0,0]=2 540 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,1,0,1,0,0|0,0,0]=2 541 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,1,0,1,0,0|1,0,0]=3 542 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,1,0,1,0,0|1,0,0]=3 543 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,1,0,1,0,0|1,0,0]=3 544 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,1,0,1,0,0|1,0,0]=3 547 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,1,0,1,0,0|1,0,0]=3 548 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,1,0,1,0,0|0,0,1]=3 549 B9R1.35 O=C1CCC(C(=O)O)N1 SC-01249 [0,1,0,1,0,0|1,0,1]=4 550 B9R1.35 O=C1CCC(C(=O)O)O1 SC-93768 [0,1,0,1,0,0|1,0,1]=4 551 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SC-07520 [0,1,0,1,0,0|1,0,1]=4 552 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,1,0,1,0,0|1,0,1]=4 553 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,1,0,1,0,0|1,0,1]=4 554 B9R1.35 [C@@H]1(C(=O)O)CCC(=O)O1 SC-47439 [0,1,0,1,0,0|1,0,1]=4 555 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,1,0,1,0,0|2,0,0]=4 556 B9R1.35 [C@H]1(C(=O)O)CCC(=O)N1 SC-04305 [0,1,0,1,0,0|1,0,1]=4 557 B9R1.35 [C@H]1(C(=O)O)CCC(=O)O1 SC-08888 [0,1,0,1,0,0|1,0,1]=4 558 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,1,0,1,0,0|2,0,0]=4 559 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.110 NC(C(=O)O)C1CCC1 SC-94779 [0,1,0,1,0,0|0,0,0]=2 562 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|0,0,0]=2 564 B9R1.163 CC1(C(=O)O)CCCC1 SC-26150 [0,1,0,1,0,0|0,0,0]=2 565 B9R1.163 C[C@]1(C(=O)O)CCCN1 SC-87593 [0,1,0,1,0,0|1,0,0]=3 566 B9R1.163 C[C@]1(C(=O)O)CCNC1 SC-A3614 [0,1,0,1,0,0|1,0,0]=3 567 B9R1.163 NC1(C(=O)O)CC=CC1 SC-31553 [0,1,0,1,0,0|0,0,2]=4 568 B9R1.163 NC1(C(=O)O)CCCC1 SC-11054 [0,1,0,1,0,0|0,0,0]=2 569 B9R1.163 NC1(C(=O)O)CCOC1 SC-35949 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.163 O=C(O)C1(O)CCCC1 SC-A3517 [0,1,0,1,0,0|0,0,0]=2 571 B9R1.114 O=S(=O)(Cl)CC1CCC1 SC-25132 [0,1,0,1,0,0|1,0,1]=4 572 B9R2.39 O=C1CC2CCC1C2 SC-50094 [0,0,0,2,0,0|1,0,0]=3 573 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 SC-52249 [0,0,0,2,0,0|1,0,0]=3 574 B9R2.25 O=C1OC(=O)C2CC12 SC-26129 [0,0,0,2,0,0|1,0,1]=4 575 B9R2.109 O=C1CCCC2OC12 SC-A3025 [0,0,0,2,0,0|2,0,0]=4 576 B9R2.138 O=C1CC2(CCC2)C1 SC-B7366 [0,0,0,2,0,0|1,0,0]=3