0 B7R0.9 CC(C)(C)CC(=O)O CS22814 [0,0,0,0,0,0|1,0,1]=2 1 B7R0.9 CC(C)(C)OC(N)=O CS11993 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.9 CC(C)(N)CC(=O)O CS14805 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.9 CC(C)(N)CC(=O)O CS17039 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.9 C[N+](C)(C)CC(=O)O MC34237 [0,0,0,0,0,0|0,0,1]=1 5 B7R0.9 C[N+](C)(C)CC(=O)[O-] MC34236 [0,0,0,0,0,0|0,0,0]=0 6 B7R0.9 C[Si](C)(C)CB(O)O MC114491 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CC(Br)CC(=O)O MC106689 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.2 CC(C)=CC(=O)O CS14947 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.2 CC(N)CC(=O)O CS19028 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.2 CC(N)CC(=O)O CS20346 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.2 CC(N)CC(=O)O MC439098 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.2 CC(O)CC(=O)O MC426020 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.2 CC(O)CC(=O)O MC426021 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.2 CC(O)CC(=O)[O-] CS20253 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.2 CN(C)CC(=O)O CS13413 [1,0,0,0,0,0|0,0,2]=3 16 B6R0.2 CN(C)CC(N)=S CS15155 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.5 CC(C)(C)CC=O MC20142 [1,0,0,0,0,0|1,0,0]=2 18 B6R0.5 CC(C)(C)CCO CS21905 [1,0,0,0,0,0|1,0,2]=4 19 B8R0.24 CC(C)(C)OC(=O)CN CS15473 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.24 CC(C)(C)OC(=O)CN CS22257 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.24 CC(C)(C)OC(=O)CO CS21767 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.24 CC(C)(C)OC(=O)NN CS22657 [0,1,0,0,0,0|3,0,0]=4 23 B8R0.24 CC(C)(C)OC(=O)NO CS17102 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.27 CC(C)(C)C(=O)C(=O)O MC418492 [0,1,0,0,0,0|1,0,2]=4 25 B8R0.27 CC(C)(C)C(N)C(=O)O CS18601 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.27 CC(C)(C)C(N)C(=O)O CS18605 [0,1,0,0,0,0|1,0,1]=3 27 B8R0.27 CC(C)(C)C(N)C(=O)O CS18608 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.27 CC(C)(F)C(N)C(=O)O MC429244 [0,1,0,0,0,0|2,0,1]=4 29 B8R0.27 CC(C)(S)C(N)C(=O)O MC438067 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.51 CC1(C)CNC(=O)C1 CS22480 [0,0,0,1,0,0|2,0,0]=3 31 B8R1.51 CC1(C)CNC(=O)N1 MC443125 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.77 CC1(C)CC1C(=O)O CS19841 [0,0,0,1,0,0|1,0,1]=3 33 B8R1.77 CC1(C)CC1C(N)=O MC427500 [0,0,0,1,0,0|2,0,0]=3 34 B6R0.7 CC(=O)C(C)(C)C MC41940 [0,0,0,0,1,0|2,0,0]=3 35 B6R0.7 CC(C)(Br)C(=O)Br MC20867 [0,0,0,0,1,0|3,0,0]=4 36 B6R0.7 CC(C)(Br)C(=O)O CS21332 [0,0,0,0,1,0|2,0,1]=4 37 B6R0.7 CC(C)(C)C(=O)O CS11866 [0,0,0,0,1,0|1,0,1]=3 38 B6R0.7 CC(C)(C)S(N)=O CS13893 [0,0,0,0,1,0|3,0,0]=4 39 B6R0.7 CC(C)(C)S(N)=O CS18738 [0,0,0,0,1,0|3,0,0]=4 40 B6R0.7 CC(C)(C)S(N)=O CS22549 [0,0,0,0,1,0|3,0,0]=4 41 B6R0.7 CC(C)(N)C(=O)O CS15358 [0,0,0,0,1,0|2,0,1]=4 42 B8R0.29 CC(C)(C)NCC(=O)O MC42032 [0,0,0,0,0,1|1,0,1]=3 43 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|1,0,0]=3 44 B5R0.1 CCCC(C)=O CS21731 [2,0,0,0,0,0|2,0,0]=4 45 B5R0.1 CCC[N+](=O)[O-] MC428297 [2,0,0,0,0,0|2,0,0]=4 46 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|0,0,1]=3 47 B5R0.1 CNCC(=O)O CS18595 [2,0,0,0,0,0|0,0,2]=4 48 B5R0.1 CNCC(N)=O MC438151 [2,0,0,0,0,0|1,0,1]=4 49 B5R0.1 COCC(=O)Cl MC40491 [2,0,0,0,0,0|2,0,0]=4 50 B5R0.1 COCC(=O)O CS11579 [2,0,0,0,0,0|1,0,1]=4 51 B5R0.1 COCC(N)=O MC41924 [2,0,0,0,0,0|2,0,0]=4 52 B5R0.1 CSCC(=O)Cl MC106201 [2,0,0,0,0,0|2,0,0]=4 53 B5R0.1 CSCC(N)=O CS12608 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.4 CC(C)(C)C=O MC20070 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.4 CC(C)(C)CN CS11775 [2,0,0,0,0,0|2,0,0]=4 56 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [1,1,0,0,0,0|2,0,0]=4 57 B7R0.16 CC(C)C(=O)C(=O)[O-] CS22357 [1,1,0,0,0,0|1,0,1]=4 58 B7R0.16 CC(C)C(Br)C(=O)O MC431184 [1,1,0,0,0,0|1,0,1]=4 59 B7R0.16 CC(C)C(Cl)C(=O)O MC426014 [1,1,0,0,0,0|1,0,1]=4 60 B7R0.16 CC(C)C(F)C(=O)O MC429818 [1,1,0,0,0,0|1,0,1]=4 61 B7R0.16 CC(C)C(N)C(=O)O CS19285 [1,1,0,0,0,0|1,0,1]=4 62 B7R0.16 CC(C)C(N)C(=O)O MC438291 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.16 CC(C)C(N)C(=O)O MC438292 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.16 CC(C)C(N)C(N)=O CS11445 [1,1,0,0,0,0|2,0,0]=4 65 B7R0.16 CC(C)C(N)C(N)=O MC428367 [1,1,0,0,0,0|2,0,0]=4 66 B7R0.16 CC(C)C(N)C(N)=O MC435294 [1,1,0,0,0,0|2,0,0]=4 67 B7R0.16 CC(C)C(O)C(=O)O MC437769 [1,1,0,0,0,0|1,0,1]=4 68 B7R0.16 CC(C)C(O)C(=O)O MC437770 [1,1,0,0,0,0|1,0,1]=4 69 B7R0.8 C[N+](C)(C)CCCBr CS20170 [1,1,0,0,0,0|1,0,1]=4 70 B7R0.13 CC(C)(CN)C(N)=O CS22038 [0,1,0,0,1,0|2,0,0]=4 71 B7R0.13 CC(C)(CO)C(=O)O CS19743 [0,1,0,0,1,0|1,0,1]=4 72 B7R0.13 CNC(C)(C)C(=O)O MC437895 [0,1,0,0,1,0|1,0,1]=4 73 B9R0.10 CC(C)(C)C(N)CC(=O)O CS20286 [0,1,0,0,0,1|1,0,1]=4 74 B9R0.57 CC(C)(C)CC(N)C(=O)O MC100406 [0,1,0,0,0,1|1,0,1]=4 75 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436788 [0,1,0,0,0,1|1,0,1]=4 76 B9R0.57 CC(C)(C)CC(N)C(=O)O MC436789 [0,1,0,0,0,1|1,0,1]=4 77 B9R0.25 COC(=O)C(N)C(C)(C)C CS19634 [0,2,0,0,0,0|1,0,1]=4 78 B9R0.25 COC(=O)C(N)C(C)(C)C MC41815 [0,2,0,0,0,0|1,0,1]=4 79 B9R0.25 COC(=O)C(N)C(C)(C)C MC439173 [0,2,0,0,0,0|1,0,1]=4 80 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,1]=4 81 B7R1.12 CC1CC1C(=O)O MC100841 [1,0,0,1,0,0|1,0,1]=4 82 B7R1.12 CC1CC1C(=O)O MC103281 [1,0,0,1,0,0|1,0,1]=4 83 B7R1.12 CC1CC1C(N)=O MC425328 [1,0,0,1,0,0|2,0,0]=4 84 B7R1.20 O=C(O)CC1CC1 MC433946 [1,0,0,1,0,0|1,0,1]=4 85 B7R1.19 CC1(C(N)=O)CC1 MC106205 [0,0,0,1,1,0|2,0,0]=4 86 B9R1.10 CC1(C)CCC(=O)CC1 CS22420 [0,0,0,1,0,1|2,0,0]=4 87 B9R1.164 CC1(C)CC(C(=O)O)C1 MC444205 [0,0,0,1,0,1|1,0,1]=4 88 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.111 CC1(C(N)C(=O)O)CC1 MC103432 [0,1,0,1,0,0|1,0,1]=4 91 B9R1.128 O=C(O)CC1(CS)CC1 MC428350 [0,1,0,1,0,0|1,0,1]=4 92 B5R0.5 CC(C)C(=O)Cl MC40490 [1,0,0,0,1,0|2,0,0]=4 93 B5R0.5 CC(C)C(N)=O CS21696 [1,0,0,0,1,0|2,0,0]=4 94 B5R0.5 CN(C)C(=O)Cl MC428263 [1,0,0,0,1,0|1,0,1]=4 95 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,0,0,0,0,1|2,0,0]=4 96 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,0,0,0,0,1|2,0,0]=4 97 B7R0.6 CN(C)CCC(=O)O CS12169 [1,0,0,0,0,1|0,0,2]=4