0 B7R0.6 CC(=O)OCC(C)C SC-25600 [0,0,0,0,0,0|2,0,0]=2 1 B7R0.6 CC(=O)\C=C\C(=O)O SC-94119 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.6 CC(=O)\C=C\N(C)C SC-92543 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.6 CC(C)CCC(=O)O SC-57917 [0,0,0,0,0,0|0,0,0]=0 4 B7R0.6 CC(C)CC[N+](=O)[O-] SC-93989 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.6 CC(C)CNC(N)=S SC-88305 [0,0,0,0,0,0|2,1,0]=3 6 B7R0.6 CC(C)OCC(=O)O SC-88240 [0,0,0,0,0,0|1,0,0]=1 7 B7R0.6 CC(Cl)CCC(=O)Cl SC-74180 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.6 CC(O)CCC(C)O SC-92842 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.6 CN(C)CCC(=O)O SC-84721 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.6 CN(C)CCC(=O)O SC-98010 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.6 CN(C)CCC(N)=O SC-89196 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.6 C[C@@H](O)COC(=O)O SC-01561 [0,0,0,0,0,0|2,0,0]=2 13 B7R0.6 C[C@H](O)CC[C@H](C)O SC-03635 [0,0,0,0,0,0|2,0,1]=3 14 B7R0.6 N=C(N)CCC(N)=O SC-97509 [0,0,0,0,0,0|3,0,1]=4 15 B7R0.6 O=C(O)CCC(=O)O SC-47173 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 C=C(C)CNCC SC-47240 [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 C=CCCC(=O)O SC-25836 [1,0,0,0,0,0|0,0,2]=3 18 B6R0.4 C=CNCC(=O)O SC-20808 [1,0,0,0,0,0|1,0,2]=4 19 B6R0.4 CC(=O)CCCBr SC-91341 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.4 CC(=O)NCCN SC-19651 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 CC(C)NCCCl SC-96276 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.4 CC(C)OCCBr SC-50384 [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 CCCCC(=O)Cl SC-46867 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.4 CC\C=C\C(=O)O SC-92876 [1,0,0,0,0,0|0,0,2]=3 25 B6R0.4 CN(C)CCC=O SC-12823 [1,0,0,0,0,0|1,0,0]=2 26 B6R0.4 CN(C)CCCBr SC-12824 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CN(C)CCCBr SC-48972 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CN(C)CCCCl SC-18516 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CN(C)CCCCl SC-53120 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CNCCC(=O)O SC-27492 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.4 CNCCC(=O)O SC-52914 [1,0,0,0,0,0|1,0,0]=2 32 B6R0.4 CNCCN(C)C SC-29103 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.4 COCCC(=O)O SC-50255 [1,0,0,0,0,0|1,0,0]=2 34 B6R0.4 COCCN(C)C SC-21743 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.4 CSCCC(=O)O SC-96567 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.4 NCCCC(=O)O SC-10045 [1,0,0,0,0,0|1,0,0]=2 37 B6R0.4 O=C(Cl)CCCBr SC-70369 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.4 O=C(O)C#CCO SC-89192 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.4 O=C(O)CCCCl SC-89723 [1,0,0,0,0,0|1,0,0]=2 40 B6R0.4 O=C(O)\C=C\CBr SC-53654 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.9 C=CC(N)CCC(=O)O SC-82297 [0,1,0,0,0,0|1,0,1]=3 42 B8R0.9 CC(C)NCC(O)CO SC-22206 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.9 CCC(=O)CCC(=O)O SC-58454 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.9 COC(=O)CCC(=O)Cl SC-13608 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.9 COC(=O)CCC(C)=O SC-74448 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.9 COC(=O)CCS(=O)[O-] SC-49113 [0,1,0,0,0,0|3,0,0]=4 47 B8R0.9 COC(=O)NCC(=O)O SC-01599 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.9 NCC(=O)CCC(=O)O SC-15622 [0,1,0,0,0,0|1,0,1]=3 49 B8R0.9 NCC(=O)CCC(=O)O SC-18502 [0,1,0,0,0,0|1,0,1]=3 50 B8R0.23 C=C(Br)C[C@H](N)C(=O)O SC-A2609 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.23 C=C(CC(C)C)C(C)=O SC-A2921 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.23 CC(=O)C(C)CC(=O)O SC-21504 [0,1,0,0,0,0|1,0,1]=3 53 B8R0.23 CC(=O)CC(O)[C@H](C)N SC-76554 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.23 CC(C)CC(Br)C(=O)O SC-A4035 [0,1,0,0,0,0|0,0,0]=1 55 B8R0.23 CC(C)CC(N)C(=O)O SC-09638 [0,1,0,0,0,0|0,0,0]=1 56 B8R0.23 CC(C)CC(N)C(=O)O SC-09639 [0,1,0,0,0,0|0,0,0]=1 57 B8R0.23 CC(C)C[C@@H](N)C(=O)O SC-09637 [0,1,0,0,0,0|0,0,0]=1 58 B8R0.23 CC(C)C[C@@H](O)C(=O)O SC-13459 [0,1,0,0,0,0|0,0,0]=1 59 B8R0.23 CC(C)C[C@H](N)C(N)=O SC-09656 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.23 CC(CC(=O)O)C(=O)O SC-51763 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.23 C[C@@H](CC(=O)O)C(=O)O SC-08886 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.23 C[C@H](CC(=O)O)C(=O)O SC-08885 [0,1,0,0,0,0|2,0,1]=4 63 B8R0.23 NC(=O)C[C@@H](N)C(=O)O SC-09347 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09348 [0,1,0,0,0,0|2,0,1]=4 65 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-09349 [0,1,0,0,0,0|2,0,1]=4 66 B8R0.23 N[C@H](CC(=O)O)C(=O)O SC-01867 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.23 O=C(O)C[C@@H](O)C(=O)O SC-05990 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.29 CC(C)(C)CCB(O)O SC-92963 [0,1,0,0,0,0|1,0,1]=3 69 B8R0.29 CC(C)(C)NCC(=O)O SC-82899 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.29 CC(C)(C)OCC(=O)O SC-46034 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.29 C[Si](C)(C)C#CC(=O)O SC-71681 [0,1,0,0,0,0|0,1,2]=4 72 B8R0.29 O=C(O)CCC(F)(F)F SC-44467 [0,1,0,0,0,0|2,0,0]=3 73 B8R1.3 CC1=CCC(=O)CC1 SC-25236 [0,0,0,1,0,0|1,0,2]=4 74 B8R1.3 CC1=CCC(=O)CC1 SC-83877 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.3 CC1=NNC(=O)CC1 SC-73679 [0,0,0,1,0,0|2,0,1]=4 76 B8R1.3 CC1CCC(N)CC1 SC-15967 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.3 CC1CCC(N)CC1 SC-54542 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.3 CN1CCC(=O)CC1 SC-01124 [0,0,0,1,0,0|2,0,0]=3 79 B8R1.3 CN1CCC(=O)CC1 SC-90211 [0,0,0,1,0,0|2,0,0]=3 80 B8R1.3 C[C@H]1CN[C@H](C)CO1 SC-42238 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.3 NC1CCC(=O)CC1 SC-51421 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.3 NC1CCC(=O)CC1 SC-94303 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.3 NC1CCC(O)CC1 SC-26489 [0,0,0,1,0,0|2,0,1]=4 84 B8R1.3 NC1CCC(O)CC1 SC-43558 [0,0,0,1,0,0|2,0,1]=4 85 B8R1.3 NC1CCC(O)CC1 SC-45530 [0,0,0,1,0,0|2,0,1]=4 86 B8R1.3 N[C@H]1CCC(=O)NC1 SC-A3084 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-03065 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.3 N[C@H]1CC[C@H](O)CC1 SC-21292 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.3 O=C1CCC(=O)CC1 SC-15336 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.3 O=C1CCC(=O)NC1 SC-35404 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.3 O=C1CCC(O)CC1 SC-22101 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.3 O=C1CCC(O)CN1 SC-14920 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.3 O=C1COC(=O)CN1 SC-96522 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.3 O=C1COC(=O)CO1 SC-86894 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.3 OC1CCC(O)CC1 SC-22723 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.3 O[C@H]1CC[C@H](O)CC1 SC-51814 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.23 C=C1CC(C(=O)O)C1 SC-20999 [0,0,0,1,0,0|0,0,2]=3 98 B8R1.23 CC(=O)N1CC(N)C1 SC-51444 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.23 CC(=O)N1CC(N)C1 SC-A3072 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.23 CC1CC(C(=O)O)C1 SC-73078 [0,0,0,1,0,0|0,0,0]=1 101 B8R1.23 CN1CC(C(=O)O)C1 SC-49053 [0,0,0,1,0,0|1,0,0]=2 102 B8R1.23 O=C(O)C1CC(F)C1 SC-26589 [0,0,0,1,0,0|1,0,0]=2 103 B8R1.23 O=C1CC(C(=O)O)C1 SC-14962 [0,0,0,1,0,0|1,0,1]=3 104 B8R1.35 O=C(O)CCC1CC1 SC-31428 [0,0,0,1,0,0|0,0,0]=1 105 B8R1.51 CC1(C)C=CC(=O)C1 SC-91103 [0,0,0,1,0,0|1,0,2]=4 106 B8R1.51 CC1(C)CCC(=O)O1 SC-21203 [0,0,0,1,0,0|0,0,0]=1 107 B8R1.51 CC1(C)CNC(=O)C1 SC-70558 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.51 CC1CCS(=O)(=O)O1 SC-21616 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.51 NC1CCS(=O)(=O)C1 SC-43760 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.77 O=C(O)C1CC1(F)F SC-82822 [0,0,0,1,0,0|2,0,0]=3 111 B6R0.2 CC(=O)CC(C)=O SC-77723 [0,0,0,0,1,0|2,0,1]=4 112 B6R0.2 CC(=O)NC(C)C SC-A3057 [0,0,0,0,1,0|2,0,0]=3 113 B6R0.2 CC(=O)OC(C)C SC-25616 [0,0,0,0,1,0|2,0,0]=3 114 B6R0.2 CC(C)=CC(=O)Cl SC-17934 [0,0,0,0,1,0|1,0,2]=4 115 B6R0.2 CC(C)=CC(=O)O SC-16257 [0,0,0,0,1,0|0,0,2]=3 116 B6R0.2 CC(C)CB(O)O SC-06923 [0,0,0,0,1,0|1,0,1]=3 117 B6R0.2 CC(Cl)OC(=O)Cl SC-13624 [0,0,0,0,1,0|3,0,0]=4 118 B6R0.2 CN(C)CC(N)=O SC-89197 [0,0,0,0,1,0|2,0,0]=3 119 B6R0.2 C[C@@H](N)CC(=O)O SC-10059 [0,0,0,0,1,0|1,0,0]=2 120 B6R0.2 C[C@@H](N)CC(=O)O SC-44142 [0,0,0,0,1,0|1,0,0]=2 121 B6R0.2 C[C@H](N)CC(=O)O SC-21979 [0,0,0,0,1,0|1,0,0]=2 122 B6R0.2 C[C@H](O)CC(=O)O SC-B3327 [0,0,0,0,1,0|1,0,0]=2 123 B6R0.2 C[S+](C)CC(=O)[O-] SC-72907 [0,0,0,0,1,0|1,0,1]=3 124 B8R0.28 CC(C)C\C=C\C(=O)O SC-96534 [0,0,0,0,0,1|0,0,1]=2 125 B8R0.28 CN(C)C\C=C\C(=O)O SC-20214 [0,0,0,0,0,1|1,0,1]=3 126 B8R0.28 CN(C)C\C=C\C(=O)O SC-82699 [0,0,0,0,0,1|1,0,1]=3 127 B8R0.28 O=C(O)CNCC(=O)O SC-79871 [0,0,0,0,0,1|2,0,1]=4 128 B8R0.28 O=C(O)COCC(=O)O SC-93218 [0,0,0,0,0,1|2,0,1]=4 129 B5R0.1 C#CCC(=O)O SC-40344 [2,0,0,0,0,0|0,0,2]=4 130 B5R0.1 C=CCC(=O)O SC-49093 [2,0,0,0,0,0|0,0,2]=4 131 B5R0.1 CC#CC(=O)O SC-76460 [2,0,0,0,0,0|0,0,2]=4 132 B5R0.1 CC(=O)CCCl SC-21586 [2,0,0,0,0,0|2,0,0]=4 133 B5R0.1 CC(=O)CCO SC-65678 [2,0,0,0,0,0|1,0,1]=4 134 B5R0.1 CC(C)=CC=O SC-00290 [2,0,0,0,0,0|0,0,2]=4 135 B5R0.1 CC(C)=CCO SC-77150 [2,0,0,0,0,0|0,0,2]=4 136 B5R0.1 CC(N)CCO SC-82589 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 CCCB(O)O SC-47544 [2,0,0,0,0,0|1,0,1]=4 138 B5R0.1 CCCC(=N)N SC-19347 [2,0,0,0,0,0|2,0,0]=4 139 B5R0.1 CCCC(=O)Cl SC-18924 [2,0,0,0,0,0|1,0,0]=3 140 B5R0.1 CCCC(=O)[O-] SC-15718 [2,0,0,0,0,0|0,0,1]=3 141 B5R0.1 CCCC(C)N SC-53929 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.1 CCCC(C)O SC-03320 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.1 CCCC(N)=O SC-46377 [2,0,0,0,0,0|1,0,0]=3 144 B5R0.1 CCNC(C)C SC-84122 [2,0,0,0,0,0|1,0,1]=4 145 B5R0.1 CCOC(N)=O SC-16133 [2,0,0,0,0,0|2,0,0]=4 146 B5R0.1 CN(C)CC=O SC-51643 [2,0,0,0,0,0|1,0,0]=3 147 B5R0.1 CN(C)CCBr SC-21756 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.1 CN(C)CCBr SC-27529 [2,0,0,0,0,0|2,0,0]=4 149 B5R0.1 CN(C)CCCl SC-18600 [2,0,0,0,0,0|2,0,0]=4 150 B5R0.1 CN(C)CCCl SC-47184 [2,0,0,0,0,0|2,0,0]=4 151 B5R0.1 CN(C)CCO SC-87330 [2,0,0,0,0,0|1,0,0]=3 152 B5R0.1 CNCC(=O)O SC-10425 [2,0,0,0,0,0|1,0,0]=3 153 B5R0.1 CNCC(N)=O SC-10429 [2,0,0,0,0,0|2,0,0]=4 154 B5R0.1 COCC(=O)Cl SC-27381 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.1 C[C@@H](N)CCO SC-48293 [2,0,0,0,0,0|1,0,0]=3 156 B5R0.1 C[C@@H](O)CCO SC-05919 [2,0,0,0,0,0|1,0,0]=3 157 B5R0.1 C[C@H](O)CCO SC-02840 [2,0,0,0,0,0|1,0,0]=3 158 B5R0.1 C\C=C/C(=O)O SC-25924 [2,0,0,0,0,0|0,0,2]=4 159 B5R0.1 N#CCC(=O)O SC-18648 [2,0,0,0,0,0|1,0,1]=4 160 B5R0.1 NCCC(=O)O SC-10014 [2,0,0,0,0,0|1,0,0]=3 161 B5R0.1 NCCC(N)=O SC-48688 [2,0,0,0,0,0|2,0,0]=4 162 B5R0.1 NCCC(N)=O SC-84499 [2,0,0,0,0,0|2,0,0]=4 163 B5R0.1 O=C(Cl)CCCl SC-16310 [2,0,0,0,0,0|2,0,0]=4 164 B5R0.1 O=C(O)CCBr SC-18441 [2,0,0,0,0,0|1,0,0]=3 165 B5R0.1 O=C(O)CCS SC-22642 [2,0,0,0,0,0|1,0,0]=3 166 B5R0.2 C=CCCCBr SC-47340 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.2 C=CCCCN SC-28944 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.2 C=CCCCO SC-78424 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.2 CC#CCC=O SC-89818 [2,0,0,0,0,0|0,0,2]=4 170 B5R0.2 CCCCNN SC-68008 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 CNCCCO SC-94106 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.2 COCCC=O SC-85357 [2,0,0,0,0,0|1,0,0]=3 173 B5R0.2 NCCCCO SC-48186 [2,0,0,0,0,0|1,0,1]=4 174 B5R0.2 O=CCCC=O SC-13455 [2,0,0,0,0,0|1,0,1]=4 175 B5R0.2 O=CCCCBr SC-69595 [2,0,0,0,0,0|1,0,0]=3 176 B5R0.2 OCCCCBr SC-12645 [2,0,0,0,0,0|1,0,1]=4 177 B5R0.2 OCCCCCl SC-23109 [2,0,0,0,0,0|1,0,1]=4 178 B7R0.2 CC(C)C[C@@H](N)CO SC-15764 [1,1,0,0,0,0|0,0,1]=3 179 B7R0.2 CC(C)C[C@H](N)CO SC-08985 [1,1,0,0,0,0|0,0,1]=3 180 B7R0.2 CCC(C)CC(=O)O SC-19132 [1,1,0,0,0,0|0,0,0]=2 181 B7R0.2 CCC(N)CC(=O)O SC-59260 [1,1,0,0,0,0|0,0,0]=2 182 B7R0.2 CCC(O)CC(C)=O SC-92943 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.2 COC(=O)CC(=O)O SC-21351 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.2 NCC(O)CC(=O)O SC-50844 [1,1,0,0,0,0|1,0,0]=3 185 B7R0.2 N[C@H](CO)CC(=O)O SC-72100 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.3 C#CCCC(=O)OC SC-92252 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.3 CC(CCCO)NN SC-14213 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.3 CCCCC(=N)OC SC-91480 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.3 CCCCC(O)CO SC-74356 [1,1,0,0,0,0|0,0,2]=4 190 B7R0.3 COC(=O)CCC=O SC-47529 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.3 COC(=O)CCCCl SC-15079 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.3 COCCC(=O)OC SC-46379 [1,1,0,0,0,0|1,0,0]=3 193 B7R0.3 [C-]#[N+]CCC(=O)OC SC-88998 [1,1,0,0,0,0|1,0,1]=4 194 B7R0.4 C#CCCCC(=O)O SC-73017 [1,1,0,0,0,0|0,0,1]=3 195 B7R0.4 C#CCNCC(=O)O SC-10418 [1,1,0,0,0,0|0,0,2]=4 196 B7R0.4 C#CCNCC(=O)O SC-10419 [1,1,0,0,0,0|0,0,2]=4 197 B7R0.4 C#CCNCC(=O)O SC-65650 [1,1,0,0,0,0|0,0,2]=4 198 B7R0.4 C=CCNCC(=O)O SC-74362 [1,1,0,0,0,0|0,0,2]=4 199 B7R0.4 C=CCOCC(=O)O SC-49027 [1,1,0,0,0,0|0,0,2]=4 200 B7R0.4 CC(C)CCON=O SC-22768 [1,1,0,0,0,0|1,0,0]=3 201 B7R0.4 CCCC#CC(=O)O SC-96568 [1,1,0,0,0,0|0,0,1]=3 202 B7R0.4 CCCNCC(=O)O SC-97541 [1,1,0,0,0,0|0,0,0]=2 203 B7R0.4 CCCSCC(=O)O SC-45283 [1,1,0,0,0,0|0,0,0]=2 204 B7R0.4 CCC\C=C\C(C)=O SC-49007 [1,1,0,0,0,0|1,0,1]=4 205 B7R0.4 CCO\C=C\C(=O)O SC-89061 [1,1,0,0,0,0|0,0,2]=4 206 B7R0.4 CNCCCC(=O)O SC-49793 [1,1,0,0,0,0|0,0,0]=2 207 B7R0.4 CNCCCC(=O)O SC-A2900 [1,1,0,0,0,0|0,0,0]=2 208 B7R0.4 COCCCC(=O)O SC-51378 [1,1,0,0,0,0|0,0,0]=2 209 B7R0.4 COCCNC(N)=O SC-62189 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.4 C\C=C\CCC(=O)O SC-21245 [1,1,0,0,0,0|0,0,1]=3 211 B7R0.4 NC(=O)CCCCBr SC-98143 [1,1,0,0,0,0|1,0,0]=3 212 B7R0.4 NCCCCC(=O)O SC-10120 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.4 NCCCCC(=O)O SC-92391 [1,1,0,0,0,0|0,0,0]=2 214 B7R0.4 NCCCCC(N)=O SC-94858 [1,1,0,0,0,0|1,0,0]=3 215 B7R0.4 NCCCCC(N)=O SC-A4262 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.4 NCCNCC(=O)O SC-21750 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.4 O=C(Cl)CCCCBr SC-13447 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.4 O=C(Cl)CCCCCl SC-16009 [1,1,0,0,0,0|1,0,0]=3 219 B7R0.4 O=C(O)CCCCBr SC-02338 [1,1,0,0,0,0|0,0,0]=2 220 B7R0.4 O=C([O-])COCCO SC-A2671 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 C#CC[C@@H](N)C(=O)O SC-A2980 [1,1,0,0,0,0|0,0,2]=4 222 B7R0.5 C=CCC(N)C(=O)O SC-10030 [1,1,0,0,0,0|0,0,2]=4 223 B7R0.5 C=CCC(N)C(=O)O SC-10031 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.5 C=CCC(N)C(=O)O SC-10032 [1,1,0,0,0,0|0,0,2]=4 225 B7R0.5 C=CC[C@@H](N)C(=O)O SC-25316 [1,1,0,0,0,0|0,0,2]=4 226 B7R0.5 C=CC[C@H](N)C(=O)O SC-14143 [1,1,0,0,0,0|0,0,2]=4 227 B7R0.5 CCCC(Br)C(=O)O SC-27020 [1,1,0,0,0,0|0,0,0]=2 228 B7R0.5 CCC[C@H](N)C(=O)O SC-06139 [1,1,0,0,0,0|0,0,0]=2 229 B7R0.5 CCOC(=O)C(=O)O SC-26569 [1,1,0,0,0,0|1,0,1]=4 230 B7R0.5 COC[C@@H](N)C(=O)O SC-52821 [1,1,0,0,0,0|1,0,0]=3 231 B7R0.5 COC[C@H](N)C(=O)O SC-26107 [1,1,0,0,0,0|1,0,0]=3 232 B7R0.5 COC[C@H](N)C(=O)O SC-47929 [1,1,0,0,0,0|1,0,0]=3 233 B7R0.5 NC(CCO)C(=O)O SC-10290 [1,1,0,0,0,0|1,0,0]=3 234 B7R0.5 NCCC(N)C(=O)O SC-10146 [1,1,0,0,0,0|1,0,0]=3 235 B7R0.5 NCCC(N)C(=O)O SC-20723 [1,1,0,0,0,0|1,0,0]=3 236 B7R0.5 NCCC(N)C(=O)O SC-23452 [1,1,0,0,0,0|1,0,0]=3 237 B7R0.5 NCCC(N)C(=O)O SC-25055 [1,1,0,0,0,0|1,0,0]=3 238 B7R0.5 NCC[C@H](N)C(=O)O SC-10144 [1,1,0,0,0,0|1,0,0]=3 239 B7R0.5 N[C@@H](CCO)C(=O)O SC-10291 [1,1,0,0,0,0|1,0,0]=3 240 B7R0.5 N[C@H](CCO)C(=O)O SC-10292 [1,1,0,0,0,0|1,0,0]=3 241 B7R0.8 CNCCS(=O)(=O)O SC-99470 [1,1,0,0,0,0|2,0,0]=4 242 B7R0.8 NCCCS(=O)(=O)O SC-17979 [1,1,0,0,0,0|2,0,0]=4 243 B7R0.8 O=CCCC(F)(F)F SC-50907 [1,1,0,0,0,0|2,0,0]=4 244 B7R0.9 CC(=O)CC(C)(C)S SC-82919 [0,1,0,0,1,0|1,0,0]=3 245 B7R0.9 CC(=O)OC(C)(C)C SC-22684 [0,1,0,0,1,0|2,0,0]=4 246 B7R0.9 CC(C)(C)OC(N)=O SC-44399 [0,1,0,0,1,0|2,0,0]=4 247 B7R0.9 CC(C)(N)CC(=O)O SC-43668 [0,1,0,0,1,0|0,0,0]=2 248 B7R0.9 CC(C)(O)CC(=O)[O-] SC-17999 [0,1,0,0,1,0|0,0,1]=3 249 B7R0.9 CC(C)CS(=O)(=O)Cl SC-51212 [0,1,0,0,1,0|1,0,1]=4 250 B7R0.9 CS(=O)(=O)CC(=O)O SC-23267 [0,1,0,0,1,0|2,0,0]=4 251 B7R0.9 C[N+](C)(C)CC(=O)[O-] SC-11650 [0,1,0,0,1,0|1,0,1]=4 252 B7R0.9 O=C(O)CC(F)(F)F SC-19589 [0,1,0,0,1,0|2,0,0]=4 253 B7R0.16 CC(C)C(=O)C(=O)O SC-27422 [0,1,0,0,1,0|0,0,1]=3 254 B7R0.16 CC(C)C(=O)C(=O)[O-] SC-13686 [0,1,0,0,1,0|0,0,2]=4 255 B7R0.16 CC(C)C(Br)C(=O)O SC-26681 [0,1,0,0,1,0|0,0,0]=2 256 B7R0.16 CC(C)C(N)C(=O)O SC-09983 [0,1,0,0,1,0|0,0,0]=2 257 B7R0.16 CC(C)C(N)C(=O)O SC-09984 [0,1,0,0,1,0|0,0,0]=2 258 B7R0.16 CC(C)C(N)C(=O)O SC-09985 [0,1,0,0,1,0|0,0,0]=2 259 B7R0.16 CC(C)C(O)C(=O)O SC-A2103 [0,1,0,0,1,0|0,0,0]=2 260 B7R0.16 CC(C)[C@@H](O)C(=O)O SC-01716 [0,1,0,0,1,0|0,0,0]=2 261 B7R0.16 CC(C)[C@H](N)C(N)=O SC-19666 [0,1,0,0,1,0|1,0,0]=3 262 B7R0.16 CC(O)C(N)C(=O)O SC-09869 [0,1,0,0,1,0|1,0,0]=3 263 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O SC-09868 [0,1,0,0,1,0|1,0,0]=3 264 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O SC-09866 [0,1,0,0,1,0|1,0,0]=3 265 B7R0.16 C[C@H](O)C(N)C(=O)O SC-46538 [0,1,0,0,1,0|1,0,0]=3 266 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O SC-09865 [0,1,0,0,1,0|1,0,0]=3 267 B9R0.1 COC(=O)CCCC(=O)O SC-85837 [0,1,0,0,0,1|1,0,1]=4 268 B9R0.7 CC(=O)N(C)CCC(=O)O SC-21566 [0,1,0,0,0,1|1,0,1]=4 269 B9R0.7 CC(C)=CCC(N)C(=O)O SC-22867 [0,1,0,0,0,1|0,0,1]=3 270 B9R0.7 CC(C)CC[C@H](N)C(=O)O SC-93270 [0,1,0,0,0,1|0,0,0]=2 271 B9R0.7 CC(Cl)C(=O)NCC(=O)O SC-73815 [0,1,0,0,0,1|1,0,1]=4 272 B9R0.7 CC(S)C(=O)NCC(=O)O SC-26620 [0,1,0,0,0,1|1,0,1]=4 273 B9R0.53 CC(=O)CC(=O)OC(C)C SC-18510 [0,1,0,0,0,1|1,0,1]=4 274 B9R0.53 CC(C)C[C@H](N)CC(=O)O SC-26176 [0,1,0,0,0,1|0,0,0]=2 275 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-46171 [0,1,0,0,0,1|2,0,0]=4 276 B9R0.56 CC(=O)OCC[N+](C)(C)C SC-94067 [0,1,0,0,0,1|2,0,0]=4 277 B9R0.56 CC(=O)SCC[N+](C)(C)C SC-90575 [0,1,0,0,0,1|2,0,0]=4 278 B9R0.56 C[N+](C)(C)NCCC(=O)[O-] SC-27479 [0,1,0,0,0,1|1,0,1]=4 279 B9R0.23 CCC(=O)C(C)CN(C)C SC-44504 [0,2,0,0,0,0|2,0,0]=4 280 B9R0.23 COC(=O)[C@@H](N)CC(=O)O SC-24738 [0,2,0,0,0,0|1,0,1]=4 281 B9R0.24 COC(=O)CCC(=O)CN SC-01776 [0,2,0,0,0,0|1,0,1]=4 282 B9R0.24 COC(=O)CCC(=O)OC SC-78937 [0,2,0,0,0,0|1,0,1]=4 283 B9R0.42 COC(=O)CC(=O)C(C)C SC-27474 [0,2,0,0,0,0|0,0,1]=3 284 B9R0.42 COC(=O)CC(C)C(=O)O SC-49578 [0,2,0,0,0,0|1,0,1]=4 285 B9R0.42 COC(=O)CC(N)C(=O)O SC-34732 [0,2,0,0,0,0|1,0,1]=4 286 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-09414 [0,2,0,0,0,0|1,0,1]=4 287 B9R0.42 COC(=O)C[C@H](N)C(=O)O SC-49628 [0,2,0,0,0,0|1,0,1]=4 288 B9R0.48 CCOC(=O)CCC(=O)O SC-48671 [0,2,0,0,0,0|1,0,1]=4 289 B9R0.48 CCOC(=O)CCC(C)=O SC-25835 [0,2,0,0,0,0|1,0,1]=4 290 B9R0.39 CN[C@@H](CC(C)C)C(=O)O SC-82208 [0,2,0,0,0,0|0,0,0]=2 291 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-20148 [0,2,0,0,0,0|0,0,0]=2 292 B9R0.57 CC(C)(C)CC(N)C(=O)O SC-70362 [0,2,0,0,0,0|0,0,0]=2 293 B9R0.57 CC(C)(C)C[C@@H](N)C(=O)O SC-52818 [0,2,0,0,0,0|0,0,0]=2 294 B9R0.79 CC(C)C(O)C(N)C(=O)O SC-48909 [0,2,0,0,0,0|0,0,0]=2 295 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O SC-A0972 [0,2,0,0,0,0|1,0,0]=3 296 B7R1.2 CC1=CC(=O)CC1 SC-18727 [1,0,0,1,0,0|0,0,2]=4 297 B7R1.2 CC1CCC(=O)C1 SC-93748 [1,0,0,1,0,0|0,0,0]=2 298 B7R1.2 CC1CNC(=O)C1 SC-50248 [1,0,0,1,0,0|1,0,0]=3 299 B7R1.2 CC1COC(=O)C1 SC-60836 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.2 CC1COC(=O)O1 SC-65189 [1,0,0,1,0,0|1,0,0]=3 301 B7R1.2 CN1CC[C@@H](O)C1 SC-49684 [1,0,0,1,0,0|1,0,1]=4 302 B7R1.2 CN1CC[C@H](O)C1 SC-23905 [1,0,0,1,0,0|1,0,1]=4 303 B7R1.2 C[C@H]1COC(=O)N1 SC-51056 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.2 C[C@H]1COC(=O)O1 SC-04943 [1,0,0,1,0,0|1,0,0]=3 305 B7R1.2 NC1CCC(O)C1 SC-47773 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.2 NC1CCC(O)C1 SC-47979 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.2 NC1CCC(O)C1 SC-49660 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.2 NC1CCC(O)C1 SC-51126 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.2 NC1CCC(O)C1 SC-92977 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.2 NC1CNC(=O)C1 SC-66063 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.2 NC1COC(=O)C1 SC-34183 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.2 N[C@@H]1CC[C@H](O)C1 SC-83316 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.2 N[C@@H]1CNC(=O)C1 SC-A4379 [1,0,0,1,0,0|2,0,0]=4 314 B7R1.2 N[C@@H]1COC(=O)C1 SC-71558 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-42369 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.2 N[C@H]1CC[C@@H](O)C1 SC-47775 [1,0,0,1,0,0|1,0,1]=4 317 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-47774 [1,0,0,1,0,0|1,0,1]=4 318 B7R1.2 N[C@H]1CC[C@H](O)C1 SC-93243 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.2 O=C1CC(O)CN1 SC-29049 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.2 O=C1CCC(=O)C1 SC-15331 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.2 O=C1C[C@@H](O)CN1 SC-02616 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.2 O=C1C[C@H](O)CN1 SC-13587 [1,0,0,1,0,0|2,0,0]=4 323 B7R1.2 O=C1C[C@H](O)CO1 SC-06559 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.3 BrC1=CCCCC1 SC-69986 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.3 BrC1CCCOC1 SC-43426 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.3 CC1=CCCCC1 SC-99243 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.3 CC1CCCCC1 SC-79075 [1,0,0,1,0,0|1,0,1]=4 328 B7R1.3 CC1CCCNC1 SC-46299 [1,0,0,1,0,0|1,0,1]=4 329 B7R1.3 CC1CCNCC1 SC-05890 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.3 CC1COCCN1 SC-49161 [1,0,0,1,0,0|1,0,1]=4 331 B7R1.3 C[C@@H]1COCCN1 SC-53994 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.3 C[C@H]1CCCNC1 SC-99949 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.3 C[C@H]1COCCN1 SC-21564 [1,0,0,1,0,0|1,0,1]=4 334 B7R1.3 C[C@H]1COCCN1 SC-69967 [1,0,0,1,0,0|1,0,1]=4 335 B7R1.3 C[SiH]1CCCCO1 SC-91060 [1,0,0,1,0,0|1,1,0]=4 336 B7R1.3 ClC1CCCCO1 SC-85266 [1,0,0,1,0,0|1,0,1]=4 337 B7R1.3 NC1CCCOC1 SC-35742 [1,0,0,1,0,0|1,0,1]=4 338 B7R1.3 NC1CCCOC1 SC-49332 [1,0,0,1,0,0|1,0,1]=4 339 B7R1.3 N[C@@H]1CCCOC1 SC-71639 [1,0,0,1,0,0|1,0,1]=4 340 B7R1.3 N[C@@H]1CCCOC1 SC-96408 [1,0,0,1,0,0|1,0,1]=4 341 B7R1.3 N[C@H]1CCCOC1 SC-94110 [1,0,0,1,0,0|1,0,1]=4 342 B7R1.3 O=C1C=CCCO1 SC-50374 [1,0,0,1,0,0|0,0,2]=4 343 B7R1.3 O=C1CCCCN1 SC-16274 [1,0,0,1,0,0|1,0,0]=3 344 B7R1.3 O=C1CCCCO1 SC-65111 [1,0,0,1,0,0|0,0,0]=2 345 B7R1.3 O=C1CCCNC1 SC-29391 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.3 O=C1CCCNC1 SC-48015 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.3 O=C1CCCOC1 SC-14944 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.3 O=C1CCNCC1 SC-04236 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.3 O=C1CCNCC1 SC-04379 [1,0,0,1,0,0|2,0,0]=4 350 B7R1.3 O=C1CCNCC1 SC-19352 [1,0,0,1,0,0|2,0,0]=4 351 B7R1.3 O=C1CCOCC1 SC-03251 [1,0,0,1,0,0|2,0,0]=4 352 B7R1.3 O=C1CCSCC1 SC-19697 [1,0,0,1,0,0|2,0,0]=4 353 B7R1.3 O=C1CNCCN1 SC-05365 [1,0,0,1,0,0|2,0,0]=4 354 B7R1.3 O=C1CNCCO1 SC-84883 [1,0,0,1,0,0|1,0,0]=3 355 B7R1.3 O=C1COCCN1 SC-24222 [1,0,0,1,0,0|2,0,0]=4 356 B7R1.3 O=C1CSCCN1 SC-28581 [1,0,0,1,0,0|2,0,0]=4 357 B7R1.3 OC1CC=CCC1 SC-87372 [1,0,0,1,0,0|2,0,0]=4 358 B7R1.3 OC1CCCCO1 SC-84303 [1,0,0,1,0,0|0,0,2]=4 359 B7R1.3 OC1CCCOC1 SC-19794 [1,0,0,1,0,0|1,0,1]=4 360 B7R1.3 OC1CCCOC1 SC-35801 [1,0,0,1,0,0|1,0,1]=4 361 B7R1.3 ON1CCCCC1 SC-13334 [1,0,0,1,0,0|2,0,0]=4 362 B7R1.7 C=CCCC1CO1 SC-99784 [1,0,0,1,0,0|2,0,0]=4 363 B7R1.10 O=C1CC(CO)C1 SC-86648 [1,0,0,1,0,0|2,0,0]=4 364 B7R1.12 O=C(O)C1CC1F SC-85228 [1,0,0,1,0,0|1,0,0]=3 365 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-83847 [1,0,0,1,0,0|1,0,0]=3 366 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F SC-A4679 [1,0,0,1,0,0|1,0,0]=3 367 B7R1.12 O=C(O)[C@H]1C[C@H]1F SC-72913 [1,0,0,1,0,0|1,0,0]=3 368 B7R1.14 CC1(C)CCCN1 SC-89406 [1,0,0,1,0,0|1,0,1]=4 369 B7R1.14 CC1(C)CCNC1 SC-B8345 [1,0,0,1,0,0|2,0,0]=4 370 B7R1.14 CC1(C)COC=N1 SC-69344 [1,0,0,1,0,0|2,0,0]=4 371 B7R1.14 O=S1(=O)CCCC1 SC-46369 [1,0,0,1,0,0|1,0,1]=4 372 B7R1.18 CC(=O)C1CCC1 SC-74316 [1,0,0,1,0,0|1,0,0]=3 373 B7R1.18 CC(O)C1CCC1 SC-22088 [1,0,0,1,0,0|1,0,1]=4 374 B7R1.18 NC(=O)[C@H]1CCN1 SC-42709 [1,0,0,1,0,0|2,0,0]=4 375 B7R1.18 O=C(Cl)C1CCC1 SC-46657 [1,0,0,1,0,0|1,0,0]=3 376 B7R1.18 O=C(O)C1CCC1 SC-17776 [1,0,0,1,0,0|0,0,0]=2 377 B7R1.18 O=C(O)C1CCO1 SC-22549 [1,0,0,1,0,0|1,0,0]=3 378 B7R1.18 O=C(O)[C@H]1CCN1 SC-24616 [1,0,0,1,0,0|1,0,0]=3 379 B7R1.18 OB(O)C1CCC1 SC-21363 [1,0,0,1,0,0|1,0,1]=4 380 B7R1.20 CC(=O)CC1CC1 SC-21396 [1,0,0,1,0,0|1,0,0]=3 381 B7R1.20 NC(=O)NC1CC1 SC-84633 [1,0,0,1,0,0|2,0,0]=4 382 B7R1.20 O=C(O)CC1CC1 SC-13938 [1,0,0,1,0,0|0,0,0]=2 383 B9R1.35 CC(=O)N1CCC(O)C1 SC-00079 [0,0,0,1,0,1|2,0,0]=4 384 B9R1.35 CC(C)[C@@H]1CSC(=S)N1 SC-49794 [0,0,0,1,0,1|1,1,0]=4 385 B9R1.35 CN1CCC(C(=O)O)C1 SC-38317 [0,0,0,1,0,1|1,0,0]=3 386 B9R1.35 CN1CCC(C(=O)O)C1 SC-71513 [0,0,0,1,0,1|1,0,0]=3 387 B9R1.35 NC1CCC(C(=O)O)C1 SC-62151 [0,0,0,1,0,1|1,0,0]=3 388 B9R1.35 NC1COC(C(=O)O)C1 SC-97560 [0,0,0,1,0,1|1,0,0]=3 389 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-82495 [0,0,0,1,0,1|1,0,0]=3 390 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 SC-93696 [0,0,0,1,0,1|1,0,0]=3 391 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-48064 [0,0,0,1,0,1|1,0,0]=3 392 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 SC-93674 [0,0,0,1,0,1|1,0,0]=3 393 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 SC-95196 [0,0,0,1,0,1|1,0,1]=4 394 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-52614 [0,0,0,1,0,1|1,0,0]=3 395 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 SC-69232 [0,0,0,1,0,1|1,0,0]=3 396 B9R1.35 O=C(O)C1CC(O)CN1 SC-03594 [0,0,0,1,0,1|1,0,0]=3 397 B9R1.35 O=C(O)C1CC(O)CN1 SC-09592 [0,0,0,1,0,1|1,0,0]=3 398 B9R1.35 O=C(O)C1CC(O)CN1 SC-09594 [0,0,0,1,0,1|1,0,0]=3 399 B9R1.35 O=C(O)C1CCC(O)C1 SC-48116 [0,0,0,1,0,1|1,0,0]=3 400 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 SC-89720 [0,0,0,1,0,1|1,0,0]=3 401 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 SC-09595 [0,0,0,1,0,1|1,0,0]=3 402 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-48740 [0,0,0,1,0,1|1,0,0]=3 403 B9R1.35 O=C1CCC(C(=O)O)C1 SC-28724 [0,0,0,1,0,1|1,0,1]=4 404 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-52091 [0,0,0,1,0,1|1,0,1]=4 405 B9R1.35 O=C1C[C@@H](C(=O)O)CN1 SC-51331 [0,0,0,1,0,1|1,0,1]=4 406 B9R1.35 [C@@H]1(C(C)C)COC(=O)N1 SC-07436 [0,0,0,1,0,1|1,0,0]=3 407 B9R1.35 [C@H]1(C(C)C)COC(=O)N1 SC-01650 [0,0,0,1,0,1|1,0,0]=3 408 B9R1.35 [C@H]1(C(C)C)CSC(=S)N1 SC-08832 [0,0,0,1,0,1|1,1,0]=4 409 B9R1.49 CN1CCCC(=O)CC1 SC-01972 [0,0,0,1,0,1|2,0,0]=4 410 B9R1.66 CC1(C)CC(=O)CCO1 SC-22069 [0,0,0,1,0,1|1,0,0]=3 411 B9R1.66 CC1(C)CCCC(=O)C1 SC-67598 [0,0,0,1,0,1|1,0,0]=3 412 B9R1.1 CNC1CCC(=O)CC1 SC-92932 [0,1,0,1,0,0|1,0,0]=3 413 B9R1.1 CNC1CCC(O)CC1 SC-84448 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.1 COC1CCC(=O)CC1 SC-51182 [0,1,0,1,0,0|1,0,0]=3 415 B9R1.1 COC1CCC(O)CC1 SC-52814 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.1 N#CC1CCC(=O)CC1 SC-29485 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.1 NCC1CCC(=O)NC1 SC-A2876 [0,1,0,1,0,0|1,0,0]=3 418 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 SC-B7291 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.1 O=C1CCC(CO)CC1 SC-66212 [0,1,0,1,0,0|1,0,0]=3 420 B9R1.10 CC1(C)C=CC(=O)CC1 SC-25845 [0,1,0,1,0,0|1,0,0]=3 421 B9R1.10 CC1(C)CCC(=O)CC1 SC-20004 [0,1,0,1,0,0|1,0,0]=3 422 B9R1.10 O=C1CCC(F)(F)CC1 SC-14790 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.69 CC1CC(=O)CCN1C SC-21165 [0,1,0,1,0,0|2,0,0]=4 424 B9R1.69 CC1CN(C)C(=O)CN1 SC-24030 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.69 CC1CN(C)CCC1=O SC-21048 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.82 C=C1CC(C(=O)OC)C1 SC-48884 [0,1,0,1,0,0|0,0,2]=4 427 B9R1.82 COC(=O)C1CC(=O)C1 SC-21555 [0,1,0,1,0,0|1,0,1]=4 428 B9R1.82 COC(=O)C1CC(Cl)C1 SC-B8557 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.82 COC(=O)C1CC(O)C1 SC-53013 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.82 COC(=O)[C@H]1C[C@H](O)C1 SC-99994 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.84 O=C(O)CCC1CCC1 SC-30968 [0,1,0,1,0,0|0,0,0]=2 432 B9R1.84 O=C(O)CNC1CCC1 SC-53570 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.84 O=[N+]([O-])CCC1CCC1 SC-50111 [0,1,0,1,0,0|1,0,1]=4 434 B9R1.95 COC1CC(C(=O)O)C1 SC-21516 [0,1,0,1,0,0|0,0,0]=2 435 B9R1.133 [C@H]1(C=O)COC(C)(C)O1 SC-01295 [0,1,0,1,0,0|1,0,1]=4 436 B9R1.138 CC1(C)COC(=O)C1=O SC-67142 [0,1,0,1,0,0|1,0,1]=4 437 B9R1.138 CC1(C)COC(=O)C1O SC-18425 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11116 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.112 NC(CC1CC1)C(=O)O SC-60891 [0,1,0,1,0,0|0,0,0]=2 440 B9R1.137 NC(CC(=O)O)C1CC1 SC-89968 [0,1,0,1,0,0|0,0,0]=2 441 B9R1.164 O=C(O)C1CC(F)(F)C1 SC-14449 [0,1,0,1,0,0|1,0,0]=3 442 B9R1.169 CC1(C(=O)O)CC1(F)F SC-B7708 [0,1,0,1,0,0|2,0,0]=4 443 B9R1.51 CC(C)(C)C1CC(=O)C1 SC-91836 [0,1,0,1,0,0|1,0,0]=3 444 B5R0.5 CC(=O)C(=O)O SC-17382 [0,0,0,0,2,0|1,0,1]=4 445 B5R0.5 CC(=O)C(C)C SC-18478 [0,0,0,0,2,0|1,0,0]=3 446 B5R0.5 CC(=O)C(C)Cl SC-46981 [0,0,0,0,2,0|2,0,0]=4 447 B5R0.5 CC(=O)C(C)S SC-17208 [0,0,0,0,2,0|2,0,0]=4 448 B5R0.5 CC(=O)N(C)C SC-54108 [0,0,0,0,2,0|2,0,0]=4 449 B5R0.5 CC(Br)C(N)=O SC-97497 [0,0,0,0,2,0|2,0,0]=4 450 B5R0.5 CC(C)B(O)O SC-66620 [0,0,0,0,2,0|1,0,1]=4 451 B5R0.5 CC(C)C(=N)N SC-13079 [0,0,0,0,2,0|2,0,0]=4 452 B5R0.5 CC(F)C(=O)O SC-83429 [0,0,0,0,2,0|1,0,0]=3 453 B5R0.5 CC(N)C(=O)O SC-09271 [0,0,0,0,2,0|1,0,0]=3 454 B5R0.5 CC(N)C(N)=O SC-94219 [0,0,0,0,2,0|2,0,0]=4 455 B5R0.5 CC(O)C(=O)[O-] SC-19308 [0,0,0,0,2,0|1,0,1]=4 456 B5R0.5 CC(O)C(=O)[O-] SC-25623 [0,0,0,0,2,0|1,0,1]=4 457 B5R0.5 CC(O)C(=O)[O-] SC-75139 [0,0,0,0,2,0|1,0,1]=4 458 B5R0.5 CC(S)C(=O)O SC-74563 [0,0,0,0,2,0|1,0,0]=3 459 B5R0.5 CN(C)C(=O)Cl SC-15201 [0,0,0,0,2,0|2,0,0]=4 460 B5R0.5 C[C@@H](Br)C(=O)O SC-08843 [0,0,0,0,2,0|1,0,0]=3 461 B5R0.5 C[C@@H](Cl)C(=O)O SC-06610 [0,0,0,0,2,0|1,0,0]=3 462 B5R0.5 C[C@@H](N)C(=O)O SC-09270 [0,0,0,0,2,0|1,0,0]=3 463 B5R0.5 C[C@@H](N)C(N)=O SC-09289 [0,0,0,0,2,0|2,0,0]=4 464 B5R0.5 C[C@@H](O)C(N)=O SC-92873 [0,0,0,0,2,0|2,0,0]=4 465 B5R0.5 C[C@H](Cl)C(=O)O SC-03218 [0,0,0,0,2,0|1,0,0]=3 466 B5R0.5 C[C@H](N)C(=O)O SC-09272 [0,0,0,0,2,0|1,0,0]=3 467 B5R0.5 C[C@H](N)C(N)=O SC-03542 [0,0,0,0,2,0|2,0,0]=4 468 B5R0.5 C[C@H](O)C(N)=O SC-73228 [0,0,0,0,2,0|2,0,0]=4 469 B5R0.5 O=C(O)C(Cl)Cl SC-18205 [0,0,0,0,2,0|2,0,0]=4 470 B5R0.5 O=C(O)C(F)Br SC-49620 [0,0,0,0,2,0|2,0,0]=4 471 B5R0.5 O=C(O)C(F)F SC-25529 [0,0,0,0,2,0|2,0,0]=4 472 B5R0.5 [2H]C(=O)N(C)C SC-97589 [0,0,0,0,2,0|2,0,0]=4 473 B5R0.5 [C@@H](C)(Br)C(=O)O SC-03475 [0,0,0,0,2,0|1,0,0]=3 474 B9R0.55 CC(=O)NCCCC(=O)O SC-46117 [0,0,0,0,0,2|1,0,1]=4