0 B7R0.9 CC(C)(C)CB(O)O C10943 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.9 CC(C)OC(C)(C)C A10887 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,0,0,0,0,0|1,1,1]=4 4 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [1,0,0,0,0,0|0,1,2]=4 5 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [1,0,0,0,0,0|0,1,2]=4 6 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [1,0,0,0,0,0|0,1,2]=4 7 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [1,0,0,0,0,0|0,1,2]=4 8 B6R0.2 CC(Br)CC(C)Br T70499 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.2 CC(C)CC(N)=O C75541 [1,0,0,0,0,0|1,0,0]=2 10 B6R0.2 CC(C)NC(N)=O 44261 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.2 C[C@H](N)CN(C)C 76720 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,0,0|1,1,0]=3 13 B6R0.2 C[C@H](O)CN(C)C A11394 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.5 C#CCC(C)(C)O 77946 [1,0,0,0,0,0|0,1,2]=4 15 B6R0.5 C=CCC(C)(C)C T71314 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.5 C=CC[N+](C)(C)C AC2497 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.5 CC(C)(C)CCI D86336 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.5 CC(C)(F)CCN W17442 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.5 CC(C)(O)CCN A51232 [1,0,0,0,0,0|1,1,1]=4 20 B6R0.5 CC(C)(O)CON AC7988 [1,0,0,0,0,0|2,1,0]=4 21 B6R0.5 CNCC(C)(C)F 85781 [1,0,0,0,0,0|2,0,0]=3 22 B8R0.24 CNC(=O)CS(C)(=O)=O 31518 [0,1,0,0,0,0|2,1,0]=4 23 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,1,0,0,0,0|1,0,0]=2 24 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,1,0,0,0,0|0,1,0]=2 25 B8R0.24 COC(=O)CC(F)(F)F T71999 [0,1,0,0,0,0|3,0,0]=4 26 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,1,0,0,0,0|2,0,0]=3 27 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,1,0,0,0,0|2,0,0]=3 28 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,1,0,0,0,0|2,0,0]=3 29 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,1,0,0,0,0|1,1,0]=3 30 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,1,0,0,0,0|1,1,0]=3 31 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,1,0,0,0,0|1,1,0]=3 32 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,1,0,0,0,0|1,1,0]=3 33 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,1,0,0,0,0|1,0,0]=2 34 B8R0.33 CC(C)(O)CC(C)(C)O T70643 [0,1,0,0,0,0|0,1,2]=4 35 B8R0.34 C#CC(C)(C)OC(C)=O A10037 [0,1,0,0,0,0|2,0,0]=3 36 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,1,0,0,0,0|2,0,0]=3 37 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.42 CC(C)CC1(N)CC1 F14584 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,0|1,0,1]=3 40 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,0|2,0,0]=3 42 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,0|2,0,0]=3 43 B8R1.51 CC1(C)CC[C@H](N)C1 P16857 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,0|3,0,0]=4 48 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,0,0|1,1,0]=3 49 B8R1.77 O=C(O)C1CC1(F)Cl CS1218 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.77 O=C(O)[C@H]1CC1(F)F P15788 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.77 O=C(O)[C@H]1CC1(F)F P17160 [0,0,0,1,0,0|3,0,0]=4 52 B6R0.7 CC(=O)C(C)(C)N 71804 [0,0,0,0,1,0|1,0,0]=2 53 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [0,0,0,0,1,0|2,0,0]=3 54 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [0,0,0,0,1,0|2,0,0]=3 55 B6R0.7 CC(C)(S)C(=O)O F17054 [0,0,0,0,1,0|1,0,0]=2 56 B6R0.7 CC(C)C(C)(C)Cl H10395 [0,0,0,0,1,0|2,0,1]=4 57 B6R0.7 C[C@H](N)C(C)(C)C F16897 [0,0,0,0,1,0|2,0,1]=4 58 B6R0.7 C[C@H](N)C(C)(C)C N11972 [0,0,0,0,1,0|2,0,1]=4 59 B6R0.7 C[C@H](N)C(C)(C)O 86272 [0,0,0,0,1,0|1,1,1]=4 60 B6R0.7 C[C@H](O)C(C)(C)C D93306 [0,0,0,0,1,0|1,0,2]=4 61 B6R0.7 C[C@H](O)C(C)(C)O D80869 [0,0,0,0,1,0|0,1,2]=4 62 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,0,0,0,0,1|2,0,0]=3 63 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,0,0,0,0,1|2,0,0]=3 64 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,0,0,0,0,1|1,0,0]=2 65 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,0,0,0,0,1|2,0,0]=3 66 B8R0.29 CC(C)COC(C)(C)C A10962 [0,0,0,0,0,1|2,0,1]=4 67 B8R0.29 CC(C)NCC(C)(C)N C11974 [0,0,0,0,0,1|2,0,1]=4 68 B8R0.29 CN(C)CCC(C)(C)N C90168 [0,0,0,0,0,1|3,0,0]=4 69 B5R0.1 C=CC[C@H](C)O 71459 [2,0,0,0,0,0|0,1,1]=4 70 B5R0.1 C=CC[C@H](C)O A12634 [2,0,0,0,0,0|0,1,1]=4 71 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|1,0,0]=3 74 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CNC[C@H](C)O AC1157 [2,0,0,0,0,0|1,1,0]=4 76 B5R0.1 CNC[C@H](C)O N12528 [2,0,0,0,0,0|1,1,0]=4 77 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|2,0,0]=4 78 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|2,0,0]=4 80 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|2,0,0]=4 81 B5R0.4 CC(C)(Br)CN 55595 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.4 CC(C)(Cl)CCl H11156 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.4 CC(C)(F)CBr 29918 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.4 CC(C)(F)CO P17817 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.4 CC(C)(O)CBr A11164 [2,0,0,0,0,0|1,1,0]=4 86 B7R0.2 CC(C)CN(C)N=O D93466 [1,1,0,0,0,0|1,0,0]=3 87 B7R0.2 CC(C)NC(=O)CBr A12824 [1,1,0,0,0,0|1,0,0]=3 88 B7R0.2 CC(C)NC(=O)CI A11046 [1,1,0,0,0,0|1,0,0]=3 89 B7R0.2 CC(C)OC(=O)CN FD21588 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.2 CC(C)OC(=O)NN A11099 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,0]=3 92 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|0,0,0]=2 93 B7R0.2 CC[C@H](N)CC(=O)O 51922 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.2 CC[C@H](N)CC(=O)O 52000 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 CC[C@H](O)CC(=O)O C14017 [1,1,0,0,0,0|1,1,0]=4 96 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.2 COC(C)CC(C)O 78061 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.2 CO\C(C)=C/C(C)=O D93418 [1,1,0,0,0,0|0,0,2]=4 100 B7R0.2 N[C@H](CO)CC(=O)O D95019 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.2 N[C@H](CO)CC(=O)O F14029 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.16 CC(=O)C(N)C(C)=O F17513 [1,1,0,0,0,0|0,1,1]=4 103 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,1,0,0,0,0|1,0,0]=3 105 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.16 C[C@H](O)[C@H](N)C(=O)O T70290 [1,1,0,0,0,0|1,1,0]=4 109 B7R0.8 CC(C)(O)CCCN 31824 [1,1,0,0,0,0|0,1,1]=4 110 B7R0.8 CC(C)(O)CCCO AB7595 [1,1,0,0,0,0|0,1,1]=4 111 B7R0.11 CCCC(C)(C)C#N T70545 [1,1,0,0,0,0|1,0,1]=4 112 B7R0.11 COCC(C)(C)CO BL000418 [1,1,0,0,0,0|1,1,0]=4 113 B7R0.13 C=CC(C)(C)C(=O)O F12167 [0,1,0,0,1,0|2,0,0]=4 114 B7R0.13 CC(=O)C(C)(C)C#N Y10746 [0,1,0,0,1,0|1,0,0]=3 115 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,0,0,1,0|0,1,0]=3 116 B7R0.13 CC(C)(C#N)C(=O)O 30621 [0,1,0,0,1,0|2,0,0]=4 117 B7R0.13 CC(C)(C#N)C(N)=O L10085 [0,1,0,0,1,0|2,0,0]=4 118 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,1,0,0,1,0|2,0,0]=4 119 B7R0.13 CC[C@](C)(N)C(=O)O 63927 [0,1,0,0,1,0|2,0,0]=4 120 B7R0.13 CC[C@](C)(N)C(=O)O F12073 [0,1,0,0,1,0|2,0,0]=4 121 B7R0.13 CC[C@](C)(O)C(=O)O D78565 [0,1,0,0,1,0|1,1,0]=4 122 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,1,0,0,1,0|1,1,0]=4 123 B7R0.13 C[C@](Cl)(CCl)C(=O)O W18728 [0,1,0,0,1,0|2,0,0]=4 124 B7R0.13 C[C@](N)(CO)C(=O)O 64334 [0,1,0,0,1,0|2,0,0]=4 125 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,1,0,0,0,1|2,0,0]=4 126 B9R0.22 CCC(C)(C)CC(=O)OC Y10558 [0,2,0,0,0,0|1,0,0]=3 127 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C C16120 [0,2,0,0,0,0|1,0,0]=3 128 B9R0.25 COC(=O)[C@@H](N)C(C)(C)O 69603 [0,2,0,0,0,0|0,1,0]=3 129 B9R0.44 CC(C)(C)NC(=O)CC#N W15923 [0,2,0,0,0,0|2,0,0]=4 130 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [0,2,0,0,0,0|0,1,0]=3 131 B9R0.44 CNNC(=O)OC(C)(C)C FD1328 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.11 CC(=O)NC(C)(C)C(=O)O W18578 [0,2,0,0,0,0|1,1,0]=4 133 B9R0.58 CCC[C@](C)(O)CC(=O)O A10594 [0,2,0,0,0,0|1,1,0]=4 134 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,0]=3 135 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|1,0,0]=3 136 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 137 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 138 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|2,0,0]=4 139 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [1,0,0,1,0,0|2,0,0]=4 146 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|0,1,0]=3 147 B7R1.2 O=C1C[C@H](O)CO1 12464 [1,0,0,1,0,0|1,1,0]=4 148 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|1,0,0]=3 149 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I CS3201 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.12 O=C(O)[C@H]1C[C@@H]1F P15680 [1,0,0,1,0,0|2,0,0]=4 152 B7R1.16 CC1(C)CC(=O)C1 P13045 [1,0,0,1,0,0|0,0,0]=2 153 B7R1.16 CC1(C)CC(=O)N1 D72853 [1,0,0,1,0,0|1,0,0]=3 154 B7R1.16 CC1(C)CC(N)C1 P15356 [1,0,0,1,0,0|1,0,1]=4 155 B7R1.16 CC1(C)CC(O)C1 P16551 [1,0,0,1,0,0|0,0,2]=4 156 B7R1.16 CC1(N)CC(=O)C1 P17533 [1,0,0,1,0,0|1,0,0]=3 157 B7R1.16 O=C1CC(F)(F)C1 38849 [1,0,0,1,0,0|2,0,0]=4 158 B7R1.20 C[C@H](O)CC1CC1 79072 [1,0,0,1,0,0|0,0,2]=4 159 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.20 O=C(O)C[C@H]1CO1 P18471 [1,0,0,1,0,0|1,1,0]=4 161 B7R1.14 CC1(Br)CCCC1 P19649 [1,0,0,1,0,0|1,0,1]=4 162 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,1,0,0|1,0,1]=4 163 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,1,0,0|1,0,1]=4 164 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|2,0,0]=4 165 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,1,0,0|2,0,0]=4 166 B7R1.14 CC1(N)CCCC1 90423 [1,0,0,1,0,0|1,0,1]=4 167 B7R1.14 C[C@]1(F)CCNC1 P15373 [1,0,0,1,0,0|2,0,0]=4 168 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.14 C[C@]1(O)CCNC1 D96498 [1,0,0,1,0,0|1,1,0]=4 170 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|1,1,0]=4 171 B7R1.26 CC(C)(N)C1CC1 72848 [1,0,0,1,0,0|1,0,1]=4 172 B7R1.26 CC(C)(O)C1CC1 78550 [1,0,0,1,0,0|0,1,1]=4 173 B7R1.19 CC(=O)C1(Cl)CC1 D86180 [0,0,0,1,1,0|1,0,0]=3 174 B7R1.19 NC(=O)C1(Br)CC1 D85812 [0,0,0,1,1,0|2,0,0]=4 175 B7R1.19 NC(=O)C1(N)CC1 72646 [0,0,0,1,1,0|2,0,0]=4 176 B7R1.19 NC(=O)C1(N)CC1 P15295 [0,0,0,1,1,0|2,0,0]=4 177 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,0,0,1,0,1|1,0,0]=3 178 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,0,0,1,0,1|0,1,0]=3 179 B9R1.10 O=C1CCC(F)(F)CN1 P12393 [0,0,0,1,0,1|2,0,0]=4 180 B9R1.51 CC(C)(C)C1CC(=O)C1 P17616 [0,0,0,1,0,1|1,0,0]=3 181 B9R1.164 CC(=O)C1CC(F)(F)C1 P15881 [0,0,0,1,0,1|2,0,0]=4 182 B9R1.164 CC1(C)C=C(C(=O)O)C1 37683 [0,0,0,1,0,1|2,0,0]=4 183 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,0,0,1,0,1|2,0,0]=4 184 B9R1.164 CC1(F)CC(C(=O)O)C1 P15017 [0,0,0,1,0,1|2,0,0]=4 185 B9R1.164 C[C@]1(F)C[C@H](C(=O)O)C1 91898 [0,0,0,1,0,1|2,0,0]=4 186 B9R1.164 C[C@]1(O)C[C@@H](C(=O)O)C1 P13567 [0,0,0,1,0,1|1,1,0]=4 187 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,1,0,0|2,0,0]=4 189 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P15964 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.38 CC1(C)CC(=O)NC1=O AB9146 [0,1,0,1,0,0|1,1,0]=4 192 B9R1.128 N#CC1(CC(=O)O)CC1 F30355 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.128 O=C(O)CC1(CS)CC1 T71880 [0,1,0,1,0,0|1,0,0]=3 194 B9R1.171 CC1(CC(=O)[O-])COC1 66390 [0,1,0,1,0,0|1,1,0]=4 195 B9R1.171 NC1(CC(=O)O)CCC1 P17679 [0,1,0,1,0,0|2,0,0]=4 196 B9R1.171 O=C(O)CC1(F)COC1 D84906 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.171 O=C(O)CC1(O)CCC1 72507 [0,1,0,1,0,0|1,1,0]=4 198 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|2,0,0]=4 199 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,0,0,2,0,0|2,0,0]=4 200 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|2,0,0]=4 201 B5R0.5 CC(=O)[C@H](C)N D76571 [1,0,0,0,1,0|1,0,0]=3 202 B5R0.5 CC(=S)N(C)C 76921 [1,0,0,0,1,0|1,1,0]=4 203 B5R0.5 C[C@H](N)C(N)=O 25148 [1,0,0,0,1,0|2,0,0]=4 204 B7R0.6 CC(=O)NNC(C)C F19849 [1,0,0,0,0,1|1,0,0]=3 205 B7R0.6 CC(=O)ON=C(C)C F19954 [1,0,0,0,0,1|1,0,1]=4 206 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,0,0,0,1|1,0,1]=4 207 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,0,0,0,0,1|2,0,0]=4 208 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [1,0,0,0,0,1|2,0,0]=4 209 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,1|1,1,0]=4 210 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,1|2,0,0]=4 211 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,0,0,0,0,2|2,0,0]=4 212 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,0,0,0,0,2|1,1,0]=4