0 B7R0.9 CC(C)(C)CB(O)O C10943 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.9 C[N+](C)(C)CC(=O)O D85123 [0,0,0,0,0,0|0,0,1]=1 2 B6R0.2 CC(=O)CC(=O)[O-] T70807 [1,0,0,0,0,0|2,0,0]=3 3 B6R0.2 CC(C)CC(N)=O C75541 [1,0,0,0,0,0|2,0,0]=3 4 B6R0.2 CC(C)NC(N)=O 44261 [1,0,0,0,0,0|3,0,0]=4 5 B6R0.2 C[C@H](O)CC(=O)O C10552 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.5 C=CCC(C)(C)C T71314 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.5 C=CC[N+](C)(C)C AC2497 [1,0,0,0,0,0|1,0,0]=2 8 B6R0.5 CC(C)(C)CCI D86336 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.5 C[Si](C)(C)CCS 74594 [1,0,0,0,0,0|1,1,1]=4 10 B6R0.5 C[Si](C)(C)\C=C\I 12266 [1,0,0,0,0,0|2,0,1]=4 11 B8R0.24 COC(=O)CC(C)(C)Br A11663 [0,1,0,0,0,0|2,0,1]=4 12 B8R0.24 COC(=O)CC(C)(C)O C75882 [0,1,0,0,0,0|2,0,1]=4 13 B8R0.24 COC(=O)NC(C)(C)C A12376 [0,1,0,0,0,0|2,0,1]=4 14 B8R0.27 CC(C)(C)[C@H](N)C(=O)O C14699 [0,1,0,0,0,0|1,0,1]=3 15 B8R0.27 CC(C)(C)[C@H](O)C(=O)O 62402 [0,1,0,0,0,0|1,0,1]=3 16 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31225 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 31227 [0,1,0,0,0,0|2,0,1]=4 18 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 56185 [0,1,0,0,0,0|2,0,1]=4 19 B8R0.27 CC(C)(O)[C@H](N)C(=O)O 77791 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.27 CC(C)(S)[C@H](N)C(=O)O I10039 [0,1,0,0,0,0|2,0,1]=4 21 B8R0.34 CC(C)(C#N)CC(=O)O AT13969 [0,1,0,0,0,0|1,0,2]=4 22 B8R0.34 CC(C)(CN)CC(=O)O C11406 [0,1,0,0,0,0|1,0,1]=3 23 B8R1.51 CC1(C)C=CC(=O)C1 S10959 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,0,0,1,0,0|3,0,0]=4 26 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,0,0,1,0,0|3,0,0]=4 27 B8R1.51 CC1(C)CN=C(N)C1 D79278 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.51 CC1(C)COC(=O)C1 82056 [0,0,0,1,0,0|1,0,1]=3 30 B8R1.51 CC1(C)COC(=O)N1 38028 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,0,0,1,0,0|3,0,0]=4 32 B6R0.7 C=C(Br)[Si](C)(C)C A12026 [0,0,0,0,1,0|3,0,0]=4 33 B6R0.7 CC(=O)C(C)(C)N 71804 [0,0,0,0,1,0|3,0,0]=4 34 B6R0.7 CC(C)(C)C(=O)[O-] C71251 [0,0,0,0,1,0|1,0,0]=2 35 B6R0.7 CC(C)(Cl)C(=O)Cl S11011 [0,0,0,0,1,0|3,0,0]=4 36 B6R0.7 CC(C)(S)C(=O)O F17054 [0,0,0,0,1,0|2,0,1]=4 37 B8R0.29 CC(=O)ONC(C)(C)C 77604 [0,0,0,0,0,1|3,0,0]=4 38 B8R0.29 CC(C)(N)CNC(N)=O 46044 [0,0,0,0,0,1|3,0,0]=4 39 B8R0.29 CC(C)(S)CCC(=O)O P19032 [0,0,0,0,0,1|2,0,1]=4 40 B8R0.29 CC(C)=CCC(C)(C)C D93076 [0,0,0,0,0,1|3,0,0]=4 41 B8R0.29 C[Si](C)(C)C#CC(=O)O C75665 [0,0,0,0,0,1|1,0,2]=4 42 B5R0.1 CN(C)CC=O D88083 [2,0,0,0,0,0|0,0,1]=3 43 B5R0.1 CNCC(=O)[O-] F20742 [2,0,0,0,0,0|0,0,1]=3 44 B5R0.1 N#CCC(=O)[O-] D70707 [2,0,0,0,0,0|2,0,0]=4 45 B7R0.2 CC[C@H](C)CC(=O)O 63986 [1,1,0,0,0,0|1,0,1]=4 46 B7R0.2 CC[C@H](C)CC(C)=O A11862 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.16 CC(C)[C@H](C)C(=O)O F17074 [1,1,0,0,0,0|1,0,1]=4 48 B7R0.16 CC(C)[C@H](C)C(=O)O I11272 [1,1,0,0,0,0|1,0,1]=4 49 B7R0.16 CC(C)[C@H](N)C(N)=O AC1523 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21039 [1,1,0,0,0,0|0,0,2]=4 51 B7R0.16 C[C@@H](C(=O)O)N(C)C FD21040 [1,1,0,0,0,0|0,0,2]=4 52 B7R0.11 C[N+](C)(CF)CCO W18955 [1,1,0,0,0,0|0,0,2]=4 53 B7R0.11 C[N+](C)(CI)CCO F11952 [1,1,0,0,0,0|0,0,2]=4 54 B7R0.13 CC(=O)C(C)(C)CO Y13534 [0,1,0,0,1,0|2,0,0]=4 55 B7R0.13 CC(C)(CN)C(=O)O D76726 [0,1,0,0,1,0|1,0,1]=4 56 B7R0.13 COC(C)(C)C(N)=O Y13489 [0,1,0,0,1,0|2,0,0]=4 57 B9R0.57 CC(C)(C)C[C@H](N)C(=O)O 51152 [0,1,0,0,0,1|1,0,1]=4 58 B9R0.22 CCC(C)(C)CC(=O)OC Y10558 [0,2,0,0,0,0|1,0,1]=4 59 B9R0.25 COC(=O)[C@@H](N)C(C)(C)C C16120 [0,2,0,0,0,0|1,0,1]=4 60 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|1,0,1]=4 61 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|2,0,0]=4 62 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O P12613 [1,0,0,1,0,0|1,0,1]=4 63 B7R1.12 C[C@H]1C[C@@H]1C(=O)O 72828 [1,0,0,1,0,0|1,0,1]=4 64 B7R1.16 CC1(C)CC(=O)C1 P13045 [1,0,0,1,0,0|2,0,0]=4 65 B7R1.16 CC1(C)CC(=O)N1 D72853 [1,0,0,1,0,0|2,0,0]=4 66 B7R1.20 O=C(Cl)CC1CC1 P19146 [1,0,0,1,0,0|2,0,0]=4 67 B9R1.10 CC1(C)CNC(=O)CN1 P16103 [0,0,0,1,0,1|2,0,0]=4 68 B9R1.51 CC(C)(C)C1CC(=O)C1 P17616 [0,0,0,1,0,1|2,0,0]=4 69 B9R1.164 CC1(C)CC(C(=O)O)C1 59979 [0,0,0,1,0,1|1,0,1]=4 70 B9R1.111 CC1([C@H](N)C(=O)O)CC1 P15964 [0,1,0,1,0,0|1,0,1]=4 71 B9R1.166 CC1(C)CN[C@@H]1C(=O)O P15974 [0,1,0,1,0,0|1,0,1]=4 72 B9R1.128 O=C(O)CC1(CS)CC1 T71880 [0,1,0,1,0,0|1,0,1]=4 73 B9R1.171 CC1(CC(=O)[O-])COC1 66390 [0,1,0,1,0,0|1,0,0]=3 74 B9R2.139 O=C1CC2(CC2)CO1 P17493 [0,0,0,2,0,0|1,0,1]=4 75 B9R2.143 O=C(O)[C@H]1CC12CC2 P10290 [0,0,0,2,0,0|1,0,1]=4 76 B7R0.6 CC(C)=CCC(=O)O 24307 [1,0,0,0,0,1|1,0,1]=4 77 B7R0.6 CC(C)CC[N+](=O)[O-] AC1797 [1,0,0,0,0,1|2,0,0]=4 78 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [1,0,0,0,0,1|2,0,0]=4 79 B7R0.6 C[S+](C)CCC(=O)O T70554 [1,0,0,0,0,1|1,0,1]=4 80 B9R0.56 CC(=O)OCC[N+](C)(C)C C74167 [0,0,0,0,0,2|1,0,0]=3 81 B9R0.56 CC(=O)SCC[Si](C)(C)C 74845 [0,0,0,0,0,2|2,0,0]=4