0 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.2 CC(C)C[C@H](C)N 90224 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 C[C@H](N)CN(C)C AT11417 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 C[C@H](N)CN(C)C C78207 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 C[C@H](N)CN(C)C C78491 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 C\C(I)=C\C(=O)O W11497 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.1 C#CC[C@H](C)N AT12968 [1,0,0,0,0,0|1,0,2]=4 7 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|1,0,0]=2 8 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|0,0,3]=4 9 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|2,0,0]=3 13 B5R0.1 CC(C)\C=N\O D77551 [1,0,0,0,0,0|1,0,2]=4 14 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CN(C)CCBr F20843 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 CSC[C@H](C)N AT10784 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 C[C@H](N)CC#N N14213 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 C[C@H](N)CCO 83613 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.1 C[C@H](N)CCO 83649 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.1 C[C@H](O)CCN D77181 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.1 C[C@H](O)CCN D77194 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 C[C@H](O)CNN W10671 [1,0,0,0,0,0|3,0,0]=4 28 B5R0.1 C[C@H](O)CON AT14481 [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|2,0,0]=3 32 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|2,0,1]=4 33 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|0,0,1]=2 34 B5R0.1 N#CCC(=O)Cl 79959 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.1 N=C(N)CCO AT21673 [1,0,0,0,0,0|3,0,0]=4 36 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,0,0,0,0,0|3,0,0]=4 39 B5R0.1 NCC[P@H](=O)O S12399 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|2,0,0]=3 41 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,1,0,0,0,0|1,0,0]=2 42 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|0,0,3]=4 43 B7R0.2 CC(=O)N[C@@H](C)CO C91213 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|0,0,0]=1 45 B7R0.2 CC(C)C[C@H](N)C#N AC6684 [0,1,0,0,0,0|1,0,2]=4 46 B7R0.2 CC(C)C[C@H](N)C#N AC7744 [0,1,0,0,0,0|1,0,2]=4 47 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,1,0,0,0,0|1,0,2]=4 48 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.2 CN[C@@H](C)CC(F)F AT22542 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|1,0,0]=2 51 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 C[C@@H](CN)CN(C)C F12739 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.2 C[C@H](CCl)CC(=O)Cl AC1923 [0,1,0,0,0,0|1,0,0]=2 54 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.2 N[C@H](CO)CC(=O)O FD10277 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.2 N[C@H](CO)CC(=O)O FD10309 [0,1,0,0,0,0|2,0,0]=3 57 B7R0.9 C=C(Br)C[Si](C)(C)C T71355 [0,1,0,0,0,0|1,1,1]=4 58 B7R0.9 C=C(C)CC(C)(C)C F21333 [0,1,0,0,0,0|1,0,0]=2 59 B7R0.9 CC(=O)CC(C)(C)N F18062 [0,1,0,0,0,0|0,0,0]=1 60 B7R0.9 CC(C)NS(N)(=O)=O AT20303 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.9 C[C@H](N)CS(C)(=O)=O AT10786 [0,1,0,0,0,0|2,0,0]=3 62 B7R0.9 C[N+](C)(C)CC(=O)Cl S12388 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.9 NC(=O)CC(F)(F)F C15826 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.9 [2H]C([2H])(C)CC(=O)O D99060 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.9 [2H]C([2H])(O)CC(C)C D99501 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.9 [2H]C([2H])([2H])CC(=O)O D98684 [0,1,0,0,0,0|3,0,0]=4 67 B7R0.9 [2H]C([2H])([2H])OC(C)=O D98923 [0,1,0,0,0,0|3,0,0]=4 68 B7R0.16 C=C(C)[C@H](N)C(=O)O N10436 [0,1,0,0,0,0|1,0,2]=4 69 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.16 CC(C)=C(Cl)C(=O)O A50965 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.16 CC(C)C(C)C(C)C T72628 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.16 CC(C)[C@H](F)C(=O)O AT16244 [0,1,0,0,0,0|1,0,0]=2 73 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,0|1,1,0]=3 74 B7R1.2 CC1CC(O)CN1 AT24888 [0,0,0,1,0,0|1,0,2]=4 75 B7R1.2 CC1CNC(C)C1 83923 [0,0,0,1,0,0|1,0,1]=3 76 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,0]=2 77 B7R1.2 CN1CC[C@H](N)C1 56133 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,0,0,1,0,0|2,0,1]=4 79 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,0]=2 80 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|1,0,0]=2 81 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,0|1,0,1]=3 83 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|2,0,0]=3 85 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,0]=3 86 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|1,0,0]=2 89 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,0,0,1,0,0|2,0,1]=4 91 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,0,0,1,0,0|1,0,2]=4 92 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|1,0,0]=2 94 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F CS3444 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.12 NC(=O)[C@H]1C[C@@H]1F CS3447 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.16 O=S1(=O)CC(Cl)C1 20267 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.20 CC(=O)CC1CC1 N12620 [0,0,0,1,0,0|0,0,0]=1 100 B7R1.20 CC(C)NC1CC1 AT12484 [0,0,0,1,0,0|2,0,1]=4 101 B7R1.20 N=C(N)NC1CC1 W18732 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.20 NC(N)=NC1CC1 D86252 [0,0,0,1,0,0|3,0,0]=4 103 B5R0.5 C=C(C)C(=O)[O-] F14145 [0,0,0,0,1,0|1,0,2]=4 104 B5R0.5 CC(=O)[C@H](C)N 91522 [0,0,0,0,1,0|1,0,0]=2 105 B5R0.5 CC(C)C(=O)O A11457 [0,0,0,0,1,0|1,0,0]=2 106 B5R0.5 CC(C)C(I)I AC2721 [0,0,0,0,1,0|2,0,1]=4 107 B5R0.5 CC(C)S(=O)[O-] AT25017 [0,0,0,0,1,0|2,0,0]=3 108 B5R0.5 CC(C)[13C](=O)[O-] D99296 [0,0,0,0,1,0|1,0,0]=2 109 B5R0.5 CC(C)[C@H](C)Br AT23713 [0,0,0,0,1,0|1,0,1]=3 110 B5R0.5 CC(C)[C@H](C)N A12293 [0,0,0,0,1,0|1,0,1]=3 111 B5R0.5 CC(C)[S@](=O)[O-] C11403 [0,0,0,0,1,0|2,0,0]=3 112 B5R0.5 CC(N)C(C)N AT12970 [0,0,0,0,1,0|2,0,1]=4 113 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [0,0,0,0,1,0|2,0,0]=3 114 B5R0.5 C[C@H](F)C(=O)O 36890 [0,0,0,0,1,0|2,0,0]=3 115 B5R0.5 C[C@H](N)C(N)=O FD21067 [0,0,0,0,1,0|2,0,0]=3 116 B5R0.5 C[C@H](O)C(=N)N F21307 [0,0,0,0,1,0|3,0,0]=4 117 B5R0.5 C[C@H](O)[C@@H](C)N N16999 [0,0,0,0,1,0|1,0,2]=4 118 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [0,0,0,0,1,0|2,0,0]=3 119 B5R0.5 [2H]C(=O)N(C)C D99052 [0,0,0,0,1,0|2,0,0]=3 120 B5R0.5 [2H]N(C)C(C)=O D99692 [0,0,0,0,1,0|2,0,0]=3 121 B7R0.6 C=C(Br)CNC(C)=O AC9658 [0,0,0,0,0,1|1,0,2]=4 122 B7R0.6 CC(=O)NN=C(C)C C12737 [0,0,0,0,0,1|1,0,1]=3 123 B7R0.6 CC(=S)NCC(=O)O D92690 [0,0,0,0,0,1|2,0,1]=4 124 B7R0.6 CC(C)CC[C@H](C)N C11213 [0,0,0,0,0,1|1,0,1]=3 125 B7R0.6 CC(C)OC[C@H](C)O T72421 [0,0,0,0,0,1|0,0,2]=3 126 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 72146 [0,0,0,0,0,1|2,0,1]=4 127 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,0,0,0,0,1|2,0,0]=3 128 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|0,0,2]=4 129 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|1,0,0]=3 131 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,0]=3 133 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.1 C[C@H](S)CO AC8877 [2,0,0,0,0,0|1,0,1]=4 136 B4R0.1 C[C@H](S)CS T72965 [2,0,0,0,0,0|1,1,0]=4 137 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|2,0,0]=4 138 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|2,0,0]=4 139 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 140 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|2,0,0]=4 141 B4R0.1 [2H]OC(C)C D98571 [2,0,0,0,0,0|2,0,0]=4 142 B4R0.1 [2H][C@H](Br)CC D99041 [2,0,0,0,0,0|2,0,0]=4 143 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|1,0,1]=4 144 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|1,0,1]=4 145 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,1]=4 146 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,1]=4 147 B4R0.2 CNCCS AT25552 [2,0,0,0,0,0|2,0,0]=4 148 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|2,0,0]=4 149 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|2,0,0]=4 150 B6R0.1 C=CC[C@H](N)CO N11070 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.1 C=CC[C@H](N)CO N11385 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.1 C=CC[C@H](N)CO N15485 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.1 C=CC[C@H](O)CN AT10905 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.1 C=C[C@@H](C)CCC T72328 [1,1,0,0,0,0|0,0,2]=4 155 B6R0.1 CCC[C@H](C)CBr S11885 [1,1,0,0,0,0|0,0,1]=3 156 B6R0.1 CCNC(=O)OC C16084 [1,1,0,0,0,0|1,0,0]=3 157 B6R0.1 CCOC(=N)CCl AC8745 [1,1,0,0,0,0|2,0,0]=4 158 B6R0.1 CCOC(=S)SC AC9840 [1,1,0,0,0,0|1,1,0]=4 159 B6R0.1 CC[C@H](N)COC D87652 [1,1,0,0,0,0|2,0,0]=4 160 B6R0.1 CC[C@H](N)COC D87653 [1,1,0,0,0,0|2,0,0]=4 161 B6R0.1 CNC[C@@H](C)CN T70175 [1,1,0,0,0,0|1,0,0]=3 162 B6R0.1 CNC[C@H](O)CO 56523 [1,1,0,0,0,0|2,0,0]=4 163 B6R0.1 CNC[C@H](O)CO 56531 [1,1,0,0,0,0|2,0,0]=4 164 B6R0.1 COCC(=O)CCl D85993 [1,1,0,0,0,0|1,0,0]=3 165 B6R0.1 COCC(=O)OC F53343 [1,1,0,0,0,0|1,0,0]=3 166 B6R0.1 COC[C@@H](C)CO O10176 [1,1,0,0,0,0|1,0,0]=3 167 B6R0.1 COC[C@@H](N)CO 91276 [1,1,0,0,0,0|2,0,0]=4 168 B6R0.1 COC[C@@H](N)CO 91277 [1,1,0,0,0,0|2,0,0]=4 169 B6R0.1 COC[C@@H](N)CO C90595 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.1 COC[C@@H](O)CN 94766 [1,1,0,0,0,0|2,0,0]=4 171 B6R0.1 COC[C@@H](O)CN 98632 [1,1,0,0,0,0|2,0,0]=4 172 B6R0.1 COC[C@H](C)C#N C77646 [1,1,0,0,0,0|1,0,1]=4 173 B6R0.1 CONC(=O)CCl AT14830 [1,1,0,0,0,0|2,0,0]=4 174 B6R0.1 CSC[C@@H](N)CO 96818 [1,1,0,0,0,0|2,0,0]=4 175 B6R0.1 CSC[C@@H](N)CO 96819 [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 C[C@H](CN)CCO AT20757 [1,1,0,0,0,0|0,0,2]=4 177 B6R0.1 C[C@H](CO)CCO 96740 [1,1,0,0,0,0|0,0,2]=4 178 B6R0.1 O=C(CCCl)NO AC8818 [1,1,0,0,0,0|2,0,0]=4 179 B6R0.3 C=C(CC)C(=O)O 81925 [1,1,0,0,0,0|1,0,1]=4 180 B6R0.3 C=CC(=O)C(C)C C77506 [1,1,0,0,0,0|0,0,2]=4 181 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [1,1,0,0,0,0|1,0,1]=4 182 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [1,1,0,0,0,0|1,0,1]=4 184 B6R0.3 CC(C)[C@@H](O)CN V10285 [1,1,0,0,0,0|1,0,1]=4 185 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,1,0,0,0,0|0,0,0]=2 186 B6R0.3 CCC(C)C(C)N 78513 [1,1,0,0,0,0|1,0,1]=4 187 B6R0.3 CCC(N)C(C)O N14662 [1,1,0,0,0,0|0,0,2]=4 188 B6R0.3 CC[C@H](N)C(C)C 74049 [1,1,0,0,0,0|0,0,1]=3 189 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|1,0,0]=3 190 B6R0.3 C[C@@H](CN)C(=O)O 32005 [1,1,0,0,0,0|2,0,0]=4 191 B6R0.3 NC(=O)[C@@H](N)CO D75097 [1,1,0,0,0,0|2,0,0]=4 192 B6R0.3 NC(=O)[C@@H](N)CO D75099 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.3 NC[C@H](F)C(=O)O 94840 [1,1,0,0,0,0|2,0,0]=4 194 B6R0.3 NC[C@H](F)C(=O)O 94844 [1,1,0,0,0,0|2,0,0]=4 195 B6R0.3 NC[C@H](F)C(=O)O 94847 [1,1,0,0,0,0|2,0,0]=4 196 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [1,1,0,0,0,0|2,0,0]=4 197 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [1,1,0,0,0,0|2,0,0]=4 198 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [1,1,0,0,0,0|2,0,0]=4 199 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [1,1,0,0,0,0|2,0,0]=4 200 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|1,0,0]=3 201 B6R0.4 CC#CCC(=O)O AT21835 [1,1,0,0,0,0|1,0,1]=4 202 B6R0.4 CC(C)CCNN AC3937 [1,1,0,0,0,0|1,0,1]=4 203 B6R0.4 CC(C)OCCS AT13760 [1,1,0,0,0,0|0,1,1]=4 204 B6R0.4 CCCNC(=S)[S-] I11294 [1,1,0,0,0,0|1,1,0]=4 205 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|1,0,0]=3 206 B6R0.4 CCNC[C@H](C)O 91070 [1,1,0,0,0,0|0,0,2]=4 207 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|1,0,0]=3 208 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|1,0,0]=3 209 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|1,0,0]=3 210 B6R0.4 C[C@H](N)CCCO AT20758 [1,1,0,0,0,0|1,0,1]=4 211 B6R0.4 C[C@H](O)CCCBr A11305 [1,1,0,0,0,0|0,0,2]=4 212 B6R0.4 C[C@H](O)CCCN AT20756 [1,1,0,0,0,0|0,0,2]=4 213 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|1,0,0]=3 214 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|1,0,0]=3 215 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|1,0,0]=3 216 B6R0.4 NOCCC(=O)O AT14539 [1,1,0,0,0,0|2,0,0]=4 217 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|2,0,0]=4 218 B6R0.4 O=[N+]([O-])CCCO A12344 [1,1,0,0,0,0|2,0,0]=4 219 B6R0.5 C=CCC(C)(C)N 68260 [1,1,0,0,0,0|0,0,1]=3 220 B6R0.5 CC(C)(C)CON AT14507 [1,1,0,0,0,0|2,0,0]=4 221 B6R0.5 CC(C)(I)CCO AC4846 [1,1,0,0,0,0|0,0,2]=4 222 B6R0.5 CCCC(C)(C)C D87693 [1,1,0,0,0,0|0,0,1]=3 223 B6R0.5 CCCP(=O)(Cl)Cl F17192 [1,1,0,0,0,0|2,0,0]=4 224 B6R0.5 CCO[P@@](C)(=O)O 88048 [1,1,0,0,0,0|2,0,0]=4 225 B6R0.5 CNCC(C)(C)F F53133 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.7 CC(=O)C(C)(F)F AT12473 [0,1,0,0,1,0|1,0,0]=3 227 B6R0.7 C[C@H](N)C(C)(C)C F17437 [0,1,0,0,1,0|1,0,1]=4 228 B6R0.7 C[C@H](N)C(C)(C)O 86324 [0,1,0,0,1,0|1,0,1]=4 229 B6R0.7 C[C@H](N)C(C)(C)O 86840 [0,1,0,0,1,0|1,0,1]=4 230 B6R0.7 C[C@H](N)C(C)(C)O AC8680 [0,1,0,0,1,0|1,0,1]=4 231 B6R0.7 C[C@H](O)C(C)(C)N AC8763 [0,1,0,0,1,0|0,0,2]=4 232 B6R0.7 [2H]C(C)(C)C(=O)O D98193 [0,1,0,0,1,0|1,0,0]=3 233 B6R0.7 [2H]C([2H])(C)C(=O)O D99197 [0,1,0,0,1,0|2,0,0]=4 234 B6R0.7 [2H][C@@](C)(N)C(=O)O D98250 [0,1,0,0,1,0|2,0,0]=4 235 B8R0.9 C=CC(=O)NC[C@H](C)O AC9846 [0,1,0,0,0,1|1,0,1]=4 236 B8R0.9 CC(=O)OC[C@@H](O)CO A10893 [0,1,0,0,0,1|1,0,0]=3 237 B8R0.9 CC(C)CC[C@H](N)CO AT16865 [0,1,0,0,0,1|1,0,1]=4 238 B8R0.9 CC(C)CNC(=O)CN F21149 [0,1,0,0,0,1|0,0,0]=2 239 B8R0.9 CCC(C)CCC(C)N C14677 [0,1,0,0,0,1|1,0,1]=4 240 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,1,0,0,0,1|0,0,1]=3 241 B8R0.9 NCC(=O)NCC(F)F C13780 [0,1,0,0,0,1|2,0,0]=4 242 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,0,1|1,0,1]=4 243 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,0,0,0,1|1,0,0]=3 244 B8R0.23 CC(C)[C@@H](N)CN(C)C C78255 [0,1,0,0,0,1|2,0,0]=4 245 B8R0.23 CC(C)[C@@H](N)CN(C)C C78460 [0,1,0,0,0,1|2,0,0]=4 246 B8R0.23 CC(C)[C@@H](N)CN(C)C C78501 [0,1,0,0,0,1|2,0,0]=4 247 B8R0.23 CC(C)[C@@H](O)C[N+](=O)[O-] V10283 [0,1,0,0,0,1|2,0,0]=4 248 B8R0.23 CN(C)C[C@H](N)C(=O)O 51291 [0,1,0,0,0,1|2,0,0]=4 249 B8R0.23 CN(C)C[C@H](N)C(=O)O D75181 [0,1,0,0,0,1|2,0,0]=4 250 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O AC8171 [0,1,0,0,0,1|2,0,0]=4 251 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,1,0,0,0,1|0,0,0]=2 252 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,1,0,0,0,1|1,0,0]=3 253 B8R0.29 CC(C)CCC(C)(C)C T72348 [0,1,0,0,0,1|1,0,1]=4 254 B8R0.29 CN(C)CCC(C)(C)N Y10201 [0,1,0,0,0,1|2,0,0]=4 255 B8R0.29 CP(C)(=O)CCC(=O)O AT13420 [0,1,0,0,0,1|2,0,0]=4 256 B8R0.29 [2H]C([2H])([2H])COC(C)=O D98335 [0,1,0,0,0,1|2,0,0]=4 257 B8R0.2 C=C[C@@H](C)[C@H](N)C(=O)O C90327 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O 60005 [0,2,0,0,0,0|1,0,0]=3 259 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O T70778 [0,2,0,0,0,0|1,0,0]=3 260 B8R0.5 C=CC[C@H](N)CC(=O)O 77811 [0,2,0,0,0,0|2,0,0]=4 261 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,2,0,0,0,0|1,0,0]=3 262 B8R0.5 CC(C)OC(=O)OCI D73860 [0,2,0,0,0,0|1,0,0]=3 263 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|0,0,0]=2 264 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,2,0,0,0,0|1,0,0]=3 265 B8R0.5 CCC[C@H](N)CC(=O)O N15479 [0,2,0,0,0,0|2,0,0]=4 266 B8R0.5 CCC[C@H](N)CC(=O)O N15480 [0,2,0,0,0,0|2,0,0]=4 267 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,2,0,0,0,0|1,0,0]=3 268 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|1,0,0]=3 269 B8R0.16 CN(C)CC(CBr)CBr A50930 [0,2,0,0,0,0|2,0,0]=4 270 B8R0.16 COC(=CC(C)=O)OC A50819 [0,2,0,0,0,0|0,0,2]=4 271 B8R0.19 CCC(C)CC(N)CO AT16871 [0,2,0,0,0,0|1,0,1]=4 272 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,2,0,0,0,0|1,0,0]=3 273 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,2,0,0,0,0|1,0,0]=3 274 B8R0.19 COC(=O)CC(=O)CBr S11869 [0,2,0,0,0,0|1,0,1]=4 275 B8R0.24 C=C[C@@H](C)CC(C)(C)C T72472 [0,2,0,0,0,0|1,0,1]=4 276 B8R0.24 CC[C@H](C)CC(C)(C)C T71897 [0,2,0,0,0,0|1,0,1]=4 277 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,2,0,0,0,0|0,0,0]=2 278 B8R0.24 CS(C)(=O)=NC(=O)CCl AT25736 [0,2,0,0,0,0|2,0,0]=4 279 B8R0.34 CC(C)C[C@](C)(N)CO AT19787 [0,2,0,0,0,0|0,0,2]=4 280 B8R0.34 CC(C)C[C@](C)(N)CO C90641 [0,2,0,0,0,0|0,0,2]=4 281 B8R0.34 [2H]C([2H])(CC)CC(=O)O D98646 [0,2,0,0,0,0|2,0,0]=4 282 B8R0.27 CC(C)[C@H](N)C(C)(F)F 91523 [0,2,0,0,0,0|1,0,1]=4 283 B8R0.27 [2H]C(C)(C)[C@H](N)C(=O)O D99334 [0,2,0,0,0,0|1,0,0]=3 284 B8R0.33 CC(C)(C)CC(C)(C)O T72831 [0,2,0,0,0,0|0,0,2]=4 285 B8R0.33 CC(C)(C)OS(C)(=O)=O 60115 [0,2,0,0,0,0|2,0,0]=4 286 B8R0.33 CC(C)(N)CS(C)(=O)=O AT10827 [0,2,0,0,0,0|1,0,0]=3 287 B8R0.18 CO[C@H](C(=O)O)C(C)C 96143 [0,2,0,0,0,0|1,0,0]=3 288 B8R0.18 CO[C@H](C(=O)O)C(C)C AC6556 [0,2,0,0,0,0|1,0,0]=3 289 B8R0.37 CC(C)[C@](C)(N)C(=O)O F12276 [0,2,0,0,0,0|1,0,0]=3 290 B8R0.37 CC(C)[C@](C)(N)C(N)=O C16660 [0,2,0,0,0,0|1,0,0]=3 291 B8R0.37 CN(C)C(C)(C)C(=O)O D75124 [0,2,0,0,0,0|2,0,0]=4 292 B8R0.37 [2H]C([2H])(C(=O)O)C(C)C D98760 [0,2,0,0,0,0|1,0,0]=3 293 B8R0.37 [2H][C@@](N)(C(=O)O)C(C)C D97892 [0,2,0,0,0,0|1,0,0]=3 294 B6R1.2 C[C@H]1CCNC1 71655 [1,0,0,1,0,0|1,0,0]=3 295 B6R1.2 FC1CCCC1 T71800 [1,0,0,1,0,0|1,0,1]=4 296 B6R1.2 F[C@H]1CCNC1 FD10498 [1,0,0,1,0,0|2,0,0]=4 297 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 298 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|2,0,0]=4 299 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|1,0,1]=4 300 B6R1.5 CC1CC(C)N1 P20516 [1,0,0,1,0,0|1,0,1]=4 301 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 302 B6R1.5 C[C@H]1C[C@@H](C)N1 D79633 [1,0,0,1,0,0|1,0,1]=4 303 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|1,0,0]=3 304 B6R1.8 CC1CC1C#N C77546 [1,0,0,1,0,0|1,0,1]=4 305 B6R1.8 CC1CC1CBr P20770 [1,0,0,1,0,0|1,0,1]=4 306 B6R1.8 CC[C@H]1C[C@@H]1N AT11453 [1,0,0,1,0,0|1,0,1]=4 307 B6R1.8 CC[C@H]1C[C@@H]1N AT11457 [1,0,0,1,0,0|1,0,1]=4 308 B6R1.8 C[C@@H]1C[C@@H]1CBr 55223 [1,0,0,1,0,0|1,0,1]=4 309 B6R1.9 CC1(C)C[C@@H]1N AT11452 [1,0,0,1,0,0|1,0,1]=4 310 B6R1.10 CC1(F)CNC1 D79173 [1,0,0,1,0,0|2,0,0]=4 311 B6R1.10 O=S1(=O)CCC1 A12652 [1,0,0,1,0,0|2,0,0]=4 312 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [1,0,0,1,0,0|2,0,0]=4 313 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [1,0,0,1,0,0|2,0,0]=4 314 B6R1.4 CC1CCC1N W15200 [0,0,0,1,1,0|1,0,1]=4 315 B8R1.3 C=C1CCC(=O)CC1 57377 [0,0,0,1,0,1|0,0,2]=4 316 B8R1.3 CC1CCN(N)CC1 F13743 [0,0,0,1,0,1|2,0,0]=4 317 B8R1.3 CC1CNC(C)CN1 AC2834 [0,0,0,1,0,1|1,0,1]=4 318 B8R1.3 CC1CNC(C)CN1 AT23784 [0,0,0,1,0,1|1,0,1]=4 319 B8R1.3 CC1COC(C)CN1 F12415 [0,0,0,1,0,1|0,0,2]=4 320 B8R1.3 C[C@H]1CC[C@@H](N)CC1 N13044 [0,0,0,1,0,1|1,0,1]=4 321 B8R1.3 C[C@H]1CC[C@H](C)NC1 29624 [0,0,0,1,0,1|1,0,1]=4 322 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,0,0,1,0,1|1,0,0]=3 323 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,0,0,1,0,1|1,0,0]=3 324 B8R1.3 C[C@H]1CN[C@H](C)CO1 S11084 [0,0,0,1,0,1|0,0,2]=4 325 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,0,0,1,0,1|1,0,0]=3 326 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,0,0,1,0,1|1,0,0]=3 327 B8R1.23 CC(C)N1CC(O)C1 P11847 [0,0,0,1,0,1|0,0,2]=4 328 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,0,0,1,0,1|1,0,0]=3 329 B8R1.23 NC1CC(C(=O)O)C1 87717 [0,0,0,1,0,1|2,0,0]=4 330 B8R1.35 CC(C)CNC1CC1 AC5587 [0,0,0,1,0,1|1,0,1]=4 331 B8R1.35 NC(=S)NCC1CC1 AT24985 [0,0,0,1,0,1|1,1,0]=4 332 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,0,0,1,0,1|1,0,0]=3 333 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,0,0,1,0,1|0,0,0]=2 334 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,0,0,1,0,1|0,0,0]=2 335 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,1,0,1,0,0|1,0,1]=4 336 B8R1.1 CC1CC(CO)CN1 W10508 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|1,0,0]=3 338 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|0,0,0]=2 339 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,1,0,0|2,0,0]=4 341 B8R1.1 CN1CC[C@H](CCl)C1 AC6371 [0,1,0,1,0,0|2,0,0]=4 342 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|1,0,0]=3 343 B8R1.1 NCC1CCC(F)C1 D72883 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,1,0,0|2,0,0]=4 345 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|1,0,0]=3 347 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|1,0,0]=3 348 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|0,0,0]=2 349 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,1,0,0|1,0,0]=3 350 B8R1.1 OCC1CCC(F)C1 AT22250 [0,1,0,1,0,0|1,0,1]=4 351 B8R1.4 CC1CCNC(C)C1 D87679 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.4 CC1CCOS(=O)O1 A12529 [0,1,0,1,0,0|2,0,0]=4 353 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,1,0,0|2,0,0]=4 354 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|1,0,0]=3 355 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,1,0,0|1,0,1]=4 356 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,1,0,0|0,0,2]=4 357 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|0,0,0]=2 358 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|0,0,0]=2 359 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|1,0,0]=3 360 B8R1.4 C[C@H]1CN(C)CCN1 C14012 [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 C[C@H]1CN(C)CCN1 F12388 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.4 C[C@H]1CN(C)CCN1 P11099 [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 C[C@H]1CN(C)CCN1 S10064 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|1,0,0]=3 365 B8R1.4 C[C@H]1CNC[C@@H](O)C1 AT13824 [0,1,0,1,0,0|0,0,2]=4 366 B8R1.4 C[C@H]1C[C@@H](O)CCN1 P12569 [0,1,0,1,0,0|0,0,2]=4 367 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,1,0,0|1,0,0]=3 368 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|1,0,0]=3 369 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|1,0,0]=3 370 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,1,0,1,0,0|1,1,0]=4 371 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|1,0,0]=3 372 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|1,0,0]=3 373 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,0]=3 374 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,1,0,0|1,0,0]=3 375 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,1,0,0|1,0,0]=3 376 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|0,0,0]=2 377 B8R1.31 C[C@H]1NC[C@@H]1C(=O)O P18148 [0,1,0,1,0,0|1,0,0]=3 378 B8R1.34 CC(=O)C=C1CCC1 F20871 [0,1,0,1,0,0|0,0,2]=4 379 B8R1.34 CC(=O)C=C1COC1 CS1989 [0,1,0,1,0,0|0,0,2]=4 380 B8R1.34 CC(=O)NC1CNC1 33732 [0,1,0,1,0,0|1,0,0]=3 381 B8R1.34 CC(=O)SC1CNC1 P12390 [0,1,0,1,0,0|1,0,0]=3 382 B8R1.34 CC(C)CC1CNC1 E71784 [0,1,0,1,0,0|1,0,1]=4 383 B8R1.34 C[C@H](N)CC1CCC1 55436 [0,1,0,1,0,0|1,0,1]=4 384 B8R1.34 NC(=O)NC1CNC1 AT23009 [0,1,0,1,0,0|2,0,0]=4 385 B8R1.34 NC(=O)OC1CNC1 AT23010 [0,1,0,1,0,0|2,0,0]=4 386 B8R1.34 O=C(Cl)CC1CCC1 AT23645 [0,1,0,1,0,0|1,0,0]=3 387 B8R1.34 O=C(O)CC1CNC1 A50755 [0,1,0,1,0,0|1,0,0]=3 388 B8R1.34 O=C(O)CC1CNC1 P10897 [0,1,0,1,0,0|1,0,0]=3 389 B8R1.40 CNC(=S)NC1CC1 AT24986 [0,1,0,1,0,0|1,1,0]=4 390 B8R1.40 N[C@H](CO)CC1CC1 D75110 [0,1,0,1,0,0|1,0,1]=4 391 B8R1.40 N[C@H](CO)CC1CC1 D75111 [0,1,0,1,0,0|1,0,1]=4 392 B8R1.40 N[C@H](CO)CC1CC1 N13000 [0,1,0,1,0,0|1,0,1]=4 393 B8R1.43 CCC1CC1C(=O)O AT12378 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.53 CC1(C)CC(CN)C1 P12136 [0,1,0,1,0,0|1,0,1]=4 395 B8R1.53 CC1(C)CC(CN)C1 P14089 [0,1,0,1,0,0|1,0,1]=4 396 B8R1.53 C[C@]1(O)C[C@H](CN)C1 38871 [0,1,0,1,0,0|0,0,2]=4 397 B8R1.62 C[C@]1(CCl)CC(=O)N1 AT19217 [0,1,0,1,0,0|1,0,0]=3 398 B8R1.73 CC1(N)CS(=O)(=O)C1 AT11149 [0,1,0,1,0,0|2,0,0]=4 399 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|2,0,0]=4 400 B8R1.54 N[C@H](C(=O)O)C1CC1 59338 [0,1,0,1,0,0|1,0,0]=3 401 B8R2.34 C1CN2CCC1C2 F15254 [0,0,0,2,0,0|2,0,0]=4 402 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|0,0,0]=2 403 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|1,0,0]=3 404 B8R2.38 O[C@H]1CC[C@@H]2C[C@H]12 D74723 [0,0,0,2,0,0|0,0,2]=4 405 B8R0.28 C=C(C)CCCC(C)C T70747 [0,0,0,0,0,2|1,0,0]=3 406 B8R0.28 CC(=O)CCCC(C)=O AC9369 [0,0,0,0,0,2|1,0,1]=4 407 B8R0.28 CC(=O)CCCN(C)C AC6136 [0,0,0,0,0,2|1,0,0]=3 408 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,0,0,0,0,2|1,0,0]=3 409 B8R0.28 CC(C)CNCC(C)C A11894 [0,0,0,0,0,2|1,0,1]=4 410 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,0,0,0,0,2|1,0,0]=3 411 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,0,0,0,0,2|1,0,0]=3 412 B8R0.28 CN(C)CCCC(=O)O A11102 [0,0,0,0,0,2|2,0,0]=4 413 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [0,0,0,0,0,2|2,0,0]=4