0 B8R0.1 CCOC(=O)\C=C\CBr AC-13666 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 COC(=O)CCCN AC-34788 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.7 CCCC(=O)OCCl AC-74037 [1,0,0,0,0,0|1,0,0]=2 3 B7R0.7 CCCC(=S)OCC AC-29188 [1,0,0,0,0,0|0,1,0]=2 4 B7R0.7 CCNC(=O)CC#N AC-86685 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.7 CCOC(=O)CCN AC-28868 [1,0,0,0,0,0|1,0,0]=2 6 B7R0.7 CCOC(=O)CCS AC-74165 [1,0,0,0,0,0|0,0,0]=1 7 B7R0.7 CCOC(=O)CNC AC-66254 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.7 CCOC(=O)CNN AC-53410 [1,0,0,0,0,0|2,0,0]=3 9 B9R0.5 CCOC(=O)CCCC#N AC-84623 [0,1,0,0,0,0|1,0,1]=3 10 B9R0.34 CCCC(=O)CC(=O)OC AC-61158 [0,1,0,0,0,0|1,1,1]=4 11 B9R0.34 CCOC(=O)CC(=O)CBr AC-28913 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.35 CCOC(=N)C(=O)OCC AC-79541 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.48 CCOC(=O)CCC(=O)O AC-28768 [0,1,0,0,0,0|2,0,0]=3 14 B9R0.48 CCOC(=O)CCC(N)=O AC-66589 [0,1,0,0,0,0|2,0,0]=3 15 B9R0.48 CCOC(=O)CNC(C)=O AC-28803 [0,1,0,0,0,0|2,0,0]=3 16 B9R1.2 N#CC1CCCC(=O)C1 AC-80195 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.2 O=C1CCCC(CO)C1 AC-84030 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.8 CCOC1=NCCCC1 AC-83342 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.8 CCOC1CCNCC1 AC-28794 [0,0,0,1,0,0|2,0,1]=4 20 B9R1.15 CCC1CNCCC1=O AC-80623 [0,0,0,1,0,0|2,0,0]=3 21 B9R1.15 CCC1CNCCC1=O AC-94984 [0,0,0,1,0,0|2,0,0]=3 22 B9R1.15 COC1CNCCC1=O AC-85564 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.27 CCC1=C(C)CNC1=O AC-11714 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.33 CCCN1CCCC1=O AC-85367 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.33 COCC1CCCC1=O AC-76116 [0,0,0,1,0,0|1,1,0]=3 26 B9R1.49 CN1CCCC(=O)CC1 AC-56154 [0,0,0,1,0,0|2,0,0]=3 27 B9R1.49 CN1CCNC(=O)CC1 AC-58165 [0,0,0,1,0,0|2,0,0]=3 28 B9R1.50 O=C1CCCCCCN1 AC-81008 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.73 CCOC(=O)C1CCC1 AC-66389 [0,0,0,1,0,0|1,0,0]=2 30 B9R1.73 CCOC(=O)C1CNC1 AC-70646 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.183 CCOC(=O)C1CC1Br AC-90154 [0,0,0,1,0,0|2,0,0]=3 32 B6R0.1 CCCC(=O)NN AC-19259 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.1 CCOC(=O)CN AC-65788 [2,0,0,0,0,0|1,0,0]=3 34 B6R0.1 CCOC(=O)CO AC-76790 [2,0,0,0,0,0|0,1,0]=3 35 B6R0.1 CCOC(=O)NN AC-12613 [2,0,0,0,0,0|2,0,0]=4 36 B6R0.1 COC(=O)CCS AC-74164 [2,0,0,0,0,0|0,0,0]=2 37 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.4 CNCCC(C)=O AC-83135 [2,0,0,0,0,0|1,0,0]=3 40 B6R0.4 N#CCCC(=O)O AC-79263 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.4 NCCCC(=O)O AC-22540 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.4 O=C(O)CCCBr AC-34557 [2,0,0,0,0,0|2,0,0]=4 43 B8R0.19 CCC(=O)CC(=O)OC AC-13288 [1,1,0,0,0,0|0,1,1]=4 44 B8R0.19 COC(=O)C[C@@H](O)CCl AC-20202 [1,1,0,0,0,0|2,0,0]=4 45 B8R0.5 CC(C)OC(=O)OCCl AC-20165 [1,1,0,0,0,0|2,0,0]=4 46 B8R0.5 CCOC(=O)CC(=N)N AC-45365 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.5 CCOC(=O)CC(C)O AC-66322 [1,1,0,0,0,0|0,0,0]=2 48 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [1,1,0,0,0,0|0,0,0]=2 49 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [1,1,0,0,0,0|0,0,0]=2 50 B8R0.5 CCOC(=O)\C=C(\C)N AC-76862 [1,1,0,0,0,0|0,0,2]=4 51 B10R0.28 CC(C)(C)OC(=O)CCCN AC-77244 [0,2,0,0,0,0|2,0,0]=4 52 B10R0.32 CCOC(=O)C(N)CC(C)C AC-52017 [0,2,0,0,0,0|1,0,0]=3 53 B10R0.2 CCCC(=O)CC(=O)OCC AC-61638 [0,2,0,0,0,0|1,0,0]=3 54 B10R0.2 CCOC(=N)CC(=O)OCC AC-21847 [0,2,0,0,0,0|0,1,1]=4 55 B10R0.2 CCOC(=O)C[C@H](O)CC#N AC-11720 [0,2,0,0,0,0|1,0,1]=4 56 B10R0.19 CCCCC(=O)C(=O)OCC AC-77388 [0,2,0,0,0,0|1,0,0]=3 57 B10R0.26 CCOC(=O)CC(=O)C(C)C AC-20069 [0,2,0,0,0,0|1,0,1]=4 58 B10R0.33 CCOC(=O)C(C#N)CC#N AC-66371 [0,2,0,0,0,0|2,0,0]=4 59 B8R1.2 CNC1CCOCC1 AC-44315 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.1 CCN1CCC(=O)C1 AC-96216 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.3 CN1CCC(=O)CC1 AC-40555 [1,0,0,1,0,0|1,0,0]=3 62 B8R1.3 O=C1CCC(=O)CC1 AC-15275 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.3 O=C1CCC(O)CC1 AC-37934 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.38 COC(=O)C1CCC1 AC-56656 [1,0,0,1,0,0|1,0,0]=3 65 B8R1.38 COC(=O)C1CNC1 AC-95063 [1,0,0,1,0,0|1,0,0]=3 66 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|1,1,0]=4 67 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|0,0,0]=2 68 B8R1.4 CC1CNCC(=O)N1 AC-41442 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 73 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|1,1,0]=4 74 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [1,0,0,1,0,0|1,0,1]=4 75 B10R1.11 CCOC(=O)C1=CCCC1 AC-43846 [0,1,0,1,0,0|1,0,1]=4 76 B10R1.11 CCOC(=O)C1CC=NN1 AC-79383 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.11 CCOC(=O)C1CCCO1 AC-15205 [0,1,0,1,0,0|1,0,0]=3 78 B10R1.11 CCOC(=O)C1CCNC1 AC-29278 [0,1,0,1,0,0|1,0,0]=3 79 B10R1.137 CCOC(=O)CC1CCO1 AC-95909 [0,1,0,1,0,0|0,1,0]=3 80 B10R1.197 CCN1CCNC(=O)CC1 AC-66375 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.140 CCOC(=O)C1CC(=O)C1 AC-77289 [0,1,0,1,0,0|1,0,0]=3 82 B10R1.212 CCOC(=O)C(O)C1CC1 AC-93250 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.401 CCOC(=O)C1(N)CCC1 AC-92862 [0,1,0,1,0,0|1,0,0]=3 84 B10R1.400 CCOC(=O)C1CC1(F)Cl AC-83453 [0,1,0,1,0,0|2,0,0]=4 85 B10R1.400 CCOC(=O)C1NC1(C)C AC-79708 [0,1,0,1,0,0|2,0,0]=4 86 B10R2.190 O=C1NCCC12CNC2 AC-84700 [0,0,0,2,0,0|2,0,0]=4 87 B10R2.190 O=C1NCCC12CNC2 AC-96381 [0,0,0,2,0,0|2,0,0]=4