0 B11R2.204 CC1(C2CCC(C2)C1=C)C TS37057 [0,0,0,0,0,0|0,0,0]=0 1 B11R2.204 CC1([C@@H]2CC[C@@H](C2)C1=C)C TS06121 [0,0,0,0,0,0|0,0,0]=0 2 B11R2.204 CC1([C@H]2CC[C@H](C2)C1=C)C TS37058 [0,0,0,0,0,0|0,0,0]=0 3 B11R2.204 CC1[C@H]2CC[C@H](C2)C1(C)C TS06321 [0,0,0,0,0,0|0,0,2]=2 4 B10R2.25 C1CC2CC1C(C2=O)Cl TS07046 [1,0,0,0,0,0|2,0,0]=3 5 B10R2.25 C=C1C2CCC(C2)C1=O TS04898 [1,0,0,0,0,0|1,0,1]=3 6 B12R2.509 C[C@@]12CC[C@@H](C1)C(C2=O)(C)C TS93136 [0,1,0,0,0,0|1,0,0]=2 7 B12R2.1146 CC1C2CC(C1(C)C)CC2=O TS10214 [0,1,0,0,0,0|0,0,3]=4 8 B10R1.23 CN(C)C(=O)C1CCCN1 TS06727 [0,0,1,0,0,0|3,0,0]=4 9 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 TS06736 [0,0,1,0,0,0|3,0,0]=4 10 B10R1.23 CN(C)C(=O)[C@H]1CCCN1 TS90455 [0,0,1,0,0,0|3,0,0]=4 11 B10R1.301 CC1CCCC(C1=O)(C)C TS06508 [0,0,1,0,0,0|1,0,0]=2 12 B12R3.4045 C[C@@]12[C@H]3[C@@H]1C[C@H](C3)C2(C)C TS37054 [0,0,0,1,0,0|0,0,2]=3 13 B9R1.11 C=CC(C1CCCC1)O TS36149 [1,0,1,0,0,0|1,0,0]=3 14 B9R1.11 COC(=O)C1CCCC1 TS05351 [1,0,1,0,0,0|2,0,0]=4 15 B9R1.19 CC(C)(C)C1CCCC1 TS26804 [1,0,1,0,0,0|0,0,1]=3 16 B9R1.19 CC(C)(C)C1CCCC1 TS61565 [1,0,1,0,0,0|0,0,1]=3 17 B9R1.19 CC(C)(C)C1CCCC1 TS66425 [1,0,1,0,0,0|0,0,1]=3 18 B9R1.19 CC(C)(C)C1CCCC1 TS79704 [1,0,1,0,0,0|0,0,1]=3 19 B9R1.19 CC(C)(C)C1CCCC1 TS81232 [1,0,1,0,0,0|0,0,1]=3 20 B9R1.19 CC(C)(C)C1CCCC1 TS82409 [1,0,1,0,0,0|0,0,1]=3 21 B9R1.19 CC(C)(C)C1CCCC1 TS83129 [1,0,1,0,0,0|0,0,1]=3 22 B9R1.19 CC(C)(C1CCNC1)O TS89798 [1,0,1,0,0,0|2,0,0]=4 23 B9R1.19 CC(C)([C@@H]1CCNC1)O TS85826 [1,0,1,0,0,0|2,0,0]=4 24 B9R1.19 CC(C)([C@H]1CCNC1)O TS86837 [1,0,1,0,0,0|2,0,0]=4 25 B9R1.19 C[Si](C)(C)C1CCCC1 TS70249 [1,0,1,0,0,0|0,1,1]=4 26 B9R1.13 CC(=CN1CCCC1)C TS05120 [1,0,1,0,0,0|1,0,1]=4 27 B9R1.13 CC(C)CC1CCCC1 TS05219 [1,0,1,0,0,0|0,0,1]=3 28 B9R1.13 CC(C)CC1CCCC1 TS81235 [1,0,1,0,0,0|0,0,1]=3 29 B9R1.13 CN(C)CC1CCCC1 TS26984 [1,0,1,0,0,0|1,0,1]=4 30 B9R1.35 CC(C)N1CCC(C1)N TS46976 [1,0,1,0,0,0|2,0,0]=4 31 B9R1.35 CC(C)N1CCC(C1)O TS05476 [1,0,1,0,0,0|2,0,0]=4 32 B9R1.3 CC1CCCC(C1C)C TS05217 [1,0,1,0,0,0|0,0,2]=4 33 B9R1.3 CC1CCCC(C1N)C TS05287 [1,0,1,0,0,0|1,0,1]=4 34 B9R1.3 CC1CCCC(N1N)C TS05402 [1,0,1,0,0,0|2,0,0]=4 35 B9R1.3 C[C@@H]1CCC[C@@H](C1=C)C TS05063 [1,0,1,0,0,0|0,0,0]=2 36 B9R1.3 C[C@H]1CCC[C@@H](C1=C)C TS05052 [1,0,1,0,0,0|0,0,0]=2 37 B9R1.40 CC1(CCCCC1=O)C TS05203 [1,0,1,0,0,0|1,0,0]=3 38 B9R1.40 CC1(CCCCC1=O)Cl TS07287 [1,0,1,0,0,0|2,0,0]=4 39 B9R1.40 CC1(CCCOC1=O)C TS36287 [1,0,1,0,0,0|2,0,0]=4 40 B9R1.40 CC1(CNCCC1=O)C TS90878 [1,0,1,0,0,0|2,0,0]=4 41 B9R1.40 CC1CCCCC1(C)C TS05231 [1,0,1,0,0,0|0,0,1]=3 42 B9R1.138 CC1CCC(C1=O)(C)C TS05175 [1,0,1,0,0,0|1,0,0]=3 43 B9R1.66 CC1CCCC(C1)(C)C TS36182 [1,0,1,0,0,0|0,0,1]=3 44 B9R1.37 CC1CC(C(C1C)C)C TS35724 [1,0,1,0,0,0|0,0,2]=4 45 B9R1.37 CC1CC(C(C1C)C)C TS35990 [1,0,1,0,0,0|0,0,2]=4 46 B9R1.37 CC1CC(C(C1C)C)C TS36179 [1,0,1,0,0,0|0,0,2]=4 47 B9R1.37 CC1CC(C(C1C)C)C TS56016 [1,0,1,0,0,0|0,0,2]=4 48 B9R1.37 CC1CC(C(C1C)C)C TS61459 [1,0,1,0,0,0|0,0,2]=4 49 B9R1.37 CC1CC(C(C1C)C)C TS67509 [1,0,1,0,0,0|0,0,2]=4 50 B9R1.37 CC1CC(C(C1C)C)C TS74665 [1,0,1,0,0,0|0,0,2]=4 51 B9R1.37 CC1CC(C(C1C)C)C TS81236 [1,0,1,0,0,0|0,0,2]=4 52 B9R1.37 CC1CC(C(C1C)C)C TS83325 [1,0,1,0,0,0|0,0,2]=4 53 B9R2.39 C1CC2CC1CC2O TS31924 [2,0,0,0,0,0|1,0,1]=4 54 B9R2.39 C1C[C@@H]2C[C@H]1C[C@@H]2O TS31950 [2,0,0,0,0,0|1,0,1]=4 55 B9R2.39 C1C[C@@H]2C[C@H]1C[C@H]2O TS31931 [2,0,0,0,0,0|1,0,1]=4 56 B9R2.39 C1C[C@H]2C[C@@H]1C(=O)N2 TS04254 [2,0,0,0,0,0|2,0,0]=4 57 B9R2.39 C1C[C@H]2C[C@@H]1CC2Cl TS36573 [2,0,0,0,0,0|1,0,1]=4 58 B9R2.39 C1C[C@H]2C[C@@H]1C[C@@H]2Br TS13629 [2,0,0,0,0,0|1,0,1]=4 59 B9R2.39 C1C[C@H]2C[C@@H]1C[C@H]2O TS31927 [2,0,0,0,0,0|1,0,1]=4 60 B9R2.39 C=C1CC2CC1C=C2 TS04095 [2,0,0,0,0,0|0,0,2]=4 61 B11R1.424 CC1=C(C(CCC1)(C)C)C=O TS10225 [0,1,1,0,0,0|0,0,1]=3 62 B11R1.1322 CC1(CCCC(C1=O)(C)C)C TS10478 [0,1,1,0,0,0|1,0,0]=3 63 B11R1.1322 CC1(CCCC(N1C)(C)C)C TS41543 [0,1,1,0,0,0|1,0,1]=4 64 B11R1.1322 CC1(CCCC(N1C)(C)C)C TS60504 [0,1,1,0,0,0|1,0,1]=4 65 B11R1.1322 CC1(CCCC(N1O)(C)C)C TS34611 [0,1,1,0,0,0|2,0,0]=4 66 B11R1.1322 [Li]N1C(CCCC1(C)C)(C)C TS07357 [0,1,1,0,0,0|2,0,0]=4 67 B11R2.28 CC1C2CCC(C2)C1CO TS06513 [1,1,0,0,0,0|0,0,2]=4 68 B11R2.684 CC1(CC2CC1CC2O)C TS37408 [1,1,0,0,0,0|0,0,1]=3 69 B13R2.284 CC1([C@H]2CC[C@H](C2)C1=CCO)C TS12295 [0,2,0,0,0,0|0,0,0]=2 70 B13R2.13651 CC(=O)C1[C@H]2CC[C@H](C2)C1(C)C TS12292 [0,2,0,0,0,0|0,0,1]=3 71 B13R2.13651 CC(C1[C@H]2CC[C@H](C2)C1(C)C)O TS44913 [0,2,0,0,0,0|0,0,2]=4 72 B9R0.20 CCCCCC(C)(C)CC TS06785 [0,0,2,0,0,0|0,0,2]=4 73 B9R0.6 CCCC(C)C(=O)C(C)C TS06761 [0,0,2,0,0,0|1,0,0]=3 74 B9R0.6 CCCC(C)C(C(C)C)O TS40244 [0,0,2,0,0,0|1,0,1]=4 75 B9R0.47 CCCCCC(=C(C)C)C TS06522 [0,0,2,0,0,0|0,0,2]=4 76 B9R0.47 CCCCCC(=O)C(C)C TS37635 [0,0,2,0,0,0|1,0,0]=3 77 B9R0.47 CCCCCC(=O)N(C)C TS40099 [0,0,2,0,0,0|2,0,0]=4 78 B9R0.47 CCCCCC(C(C)C)O TS40248 [0,0,2,0,0,0|1,0,1]=4 79 B9R0.47 CCCCCC(C)C(C)C TS06796 [0,0,2,0,0,0|0,0,2]=4 80 B9R0.47 CCCCOC(=O)C(C)C TS06989 [0,0,2,0,0,0|2,0,0]=4 81 B9R0.1 CC(C)CCCC(C)C=C TS06517 [0,0,2,0,0,0|0,0,0]=2 82 B9R0.1 CCC(C)CCCC(C)C TS06782 [0,0,2,0,0,0|0,0,2]=4 83 B9R0.13 CCCCC(CC)C(C)C TS06783 [0,0,2,0,0,0|0,0,2]=4 84 B11R2.845 CC(=C1CC2CCC1C2)C TS06119 [0,0,1,1,0,0|0,0,2]=4 85 B11R1.7 CC(C)(CO)C1CCCCC1 TS41684 [0,0,1,0,0,1|1,0,1]=4 86 B11R1.7 CCC(C)(C)C1CCCCC1 TS10511 [0,0,1,0,0,1|0,0,2]=4 87 B11R1.36 CC(C)C(=O)N1CCNCC1 TS10731 [0,0,1,0,0,1|2,0,0]=4 88 B11R1.36 CN(C)C(=O)C1CCCCC1 TS10608 [0,0,1,0,0,1|2,0,0]=4 89 B11R1.36 CN(C)C(=O)C1CCCNC1 TS51577 [0,0,1,0,0,1|2,0,0]=4 90 B11R1.36 CN(C)C(=O)[C@H]1CCCNC1 TS00325 [0,0,1,0,0,1|2,0,0]=4 91 B11R1.77 CC(C)OC(=O)[C@@H]1CCCN1 TS41798 [0,0,1,0,0,1|2,0,0]=4