0 B10R1.17 C1CCC(CC1)CN=C=S L10129 [1,0,0,0,0,0|3,0,0]=4 1 B10R1.17 C1CCC(CC1)NCCO L10821 [1,0,0,0,0,0|3,0,0]=4 2 B10R1.17 C1CCN(CC1)CCC#N L01469 [1,0,0,0,0,0|3,0,0]=4 3 B10R1.17 CCCCC1CCCCC1 L08845 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 CCCOC1CCNCC1 H50976 [1,0,0,0,0,0|3,0,0]=4 5 B10R1.17 CCOCC1CCNCC1 H50975 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.17 COCCN1CCNCC1 H55278 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.18 C1CCC(CC1)CC(=O)O H31986 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.18 C1CCC(CC1)NC(=O)N B24915 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.18 CC(=O)CC1CCCCC1 A12748 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.18 CC(C)CC1SCCCS1 B21471 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.18 CC(CN1CCOCC1)O L11859 [1,0,0,0,0,0|3,0,0]=4 12 B12R1.43 C1CCC(CC1)C[C@@H](C(=O)O)N H65913 [0,1,0,0,0,0|3,0,0]=4 13 B12R1.118 CCN(CC)CC1CCCCC1 H32815 [0,1,0,0,0,0|2,0,0]=3 14 B12R1.194 COP(=O)(C)OC1CCCCC1 44426 [0,1,0,0,0,0|3,0,0]=4 15 B10R0.74 CCCCCCCC(=O)CC B20909 [0,0,1,0,0,0|2,0,1]=4 16 B10R0.74 CCCCCCCC(=O)OC A10991 [0,0,1,0,0,0|2,0,1]=4 17 B10R0.74 CCCCCCCC(CC)O B24141 [0,0,1,0,0,0|2,0,0]=3 18 B10R1.15 CCC(=O)C1CCCCC1 B20409 [0,0,0,0,1,0|2,0,1]=4 19 B10R1.15 CCC(C1CCCCC1)O B20497 [0,0,0,0,1,0|2,0,0]=3 20 B9R0.4 CCCCC(=O)CC(C)C A19952 [1,0,1,0,0,0|1,0,1]=4 21 B9R0.18 CCCCC(CCCC)O L05812 [1,0,1,0,0,0|2,0,0]=4 22 B9R0.18 CNCCN(C)CCNC H66905 [1,0,1,0,0,0|2,0,0]=4 23 B9R0.46 CCCCCCC(CC)O A19120 [1,0,1,0,0,0|2,0,0]=4 24 B9R0.2 CCCCCCCC(=O)C A11781 [1,0,1,0,0,0|1,0,1]=4 25 B9R0.2 CCCCCCCC(C)Br L07387 [1,0,1,0,0,0|1,0,0]=3 26 B9R0.2 CCCCCCCC(C)C B20849 [1,0,1,0,0,0|0,0,0]=2 27 B9R0.2 CCCCCCCC(C)O L06310 [1,0,1,0,0,0|1,0,0]=3 28 B9R0.2 CCCCCCC[C@@H](C)N L19310 [1,0,1,0,0,0|0,0,0]=2 29 B9R0.2 CCCCCCC[C@H](C)N L19311 [1,0,1,0,0,0|0,0,0]=2 30 B9R0.45 CCCCCCCCC#C A11171 [1,0,1,0,0,0|1,0,1]=4 31 B9R0.45 CCCCCCCCC=C 31213 [1,0,1,0,0,0|1,0,1]=4 32 B9R0.45 CCCCCCCCC=C L06800 [1,0,1,0,0,0|1,0,1]=4 33 B9R0.45 CCCCCCCCC=O A15908 [1,0,1,0,0,0|2,0,0]=4 34 B9R0.45 CCCCCCCCCBr A10577 [1,0,1,0,0,0|2,0,0]=4 35 B9R0.45 CCCCCCCCCC 31209 [1,0,1,0,0,0|1,0,0]=3 36 B9R0.45 CCCCCCCCCC A14732 [1,0,1,0,0,0|1,0,0]=3 37 B9R0.45 CCCCCCCCCCl L09909 [1,0,1,0,0,0|2,0,0]=4 38 B9R0.45 CCCCCCCCCI A10667 [1,0,1,0,0,0|2,0,0]=4 39 B9R0.45 CCCCCCCCCN A18209 [1,0,1,0,0,0|2,0,0]=4 40 B9R0.45 CCCCCCCCCO A12510 [1,0,1,0,0,0|2,0,0]=4 41 B9R0.45 CCCCCCCCCS L10988 [1,0,1,0,0,0|2,0,0]=4 42 B9R0.45 CCCCCCCCC[Zn+] H58604 [1,0,1,0,0,0|2,0,0]=4 43 B9R0.45 CCCCCCCCNC L18639 [1,0,1,0,0,0|0,0,0]=2 44 B9R0.45 CCCCCCCNCC H65107 [1,0,1,0,0,0|2,0,0]=4 45 B9R0.45 COCCCCCCOC B25130 [1,0,1,0,0,0|2,0,0]=4 46 B9R1.8 C#CCC1CCCCC1 B20505 [2,0,0,0,0,0|0,0,2]=4 47 B9R1.8 C1CCC(=CC1)CCN L08261 [2,0,0,0,0,0|0,0,2]=4 48 B9R1.8 C1CCC(CC1)CCBr L09466 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 C1CCC(CC1)CCN H27987 [2,0,0,0,0,0|0,0,0]=2 50 B9R1.8 C1CCC(CC1)CCN H35368 [2,0,0,0,0,0|0,0,0]=2 51 B9R1.8 C1CCC(CC1)CCO B20782 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 C1CCC(CC1)CC[Zn+] H58193 [2,0,0,0,0,0|1,0,0]=3 53 B9R1.8 C1CCN(CC1)CCCl B22985 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.8 C1CCN(CC1)CCN A18373 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 C1CCN(CC1)CCO B23816 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.8 C1CN(CCN1)CCN A10154 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.8 C1COCCN1CCN B21365 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 C=CCC1CCCCC1 L00946 [2,0,0,0,0,0|0,0,2]=4 59 B9R1.8 CCCC1CCNCC1 H25848 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.8 CCCN1CCNCC1 A10258 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 CCNC1CCCCC1 L14221 [2,0,0,0,0,0|1,0,0]=3 62 B9R1.8 CCOC1CCCNC1 H50957 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 CCOC1CCCNC1 H51152 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 CCOC1CCNCC1 H51028 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.8 COCC1CCNCC1 H51020 [2,0,0,0,0,0|2,0,0]=4 66 B11R0.166 CCCCC(CC)CC(CC)O B20403 [0,1,1,0,0,0|2,0,0]=4 67 B11R0.4 CCCCCCC[C@@H](C)N=C=O L20236 [0,1,1,0,0,0|0,0,2]=4 68 B11R0.4 CCCCCCC[C@@H](C)N=C=S L19982 [0,1,1,0,0,0|0,0,2]=4 69 B11R0.4 CCCCCCC[C@H](C)N=C=O L20243 [0,1,1,0,0,0|0,0,2]=4 70 B11R0.4 CCCCCCC[C@H](C)N=C=S L19983 [0,1,1,0,0,0|0,0,2]=4 71 B11R0.42 CCCCCCCC(C)C(=O)O H30430 [0,1,1,0,0,0|2,0,0]=4 72 B11R0.142 CCCCCCC(C(C)CC)O B20050 [0,1,1,0,0,0|1,0,0]=3 73 B11R1.16 CCCC(C1CCCCC1)O B20090 [1,1,0,0,0,0|1,0,0]=3 74 B11R1.16 C\C=C\C(C1CCCCC1)O B20501 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.28 C1CCC(CC1)NCCCN L11250 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.28 CCCCCC1CCCCC1 B21326 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.91 C1CCC(CC1)CCC(=O)O B23613 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.900 CCCCC1(CCCCC1)O B20579 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.222 CCC(C)C1CCCCC1=O L07031 [0,1,0,0,1,0|1,0,1]=4 80 B11R2.20 C1CCC2CCCCC2C1 A13883 [1,0,0,1,0,0|1,0,0]=3 81 B11R2.20 C1CCN2CCNCC2C1 H52305 [1,0,0,1,0,0|1,0,0]=3 82 B11R2.238 C1CNCCC1CC2CO2 H35334 [1,0,0,1,0,0|2,0,0]=4 83 B13R3.3861 C1C2CC3CC1CC(C2)C3=O A14275 [0,0,0,2,0,0|2,0,0]=4 84 B13R3.3861 C1C2CC3CC1CC(C2)C3Br B22760 [0,0,0,2,0,0|2,0,0]=4 85 B13R3.3861 C1C2CC3CC1CC(C2)C3Cl B21197 [0,0,0,2,0,0|2,0,0]=4 86 B13R3.3861 C1C2CC3CC1CC(C2)C3N A17140 [0,0,0,2,0,0|2,0,0]=4 87 B13R3.3861 C1C2CC3CC1CC(C2)C3O A10697 [0,0,0,2,0,0|2,0,0]=4 88 B13R3.3861 C1C2CC3CC1CC(C2)C3[Zn+] H58595 [0,0,0,2,0,0|2,0,0]=4 89 B9R1.6 CC(=O)C1CCCCC1 B21000 [1,0,0,0,1,0|1,0,1]=4 90 B9R1.6 CC(C)N1CCNCC1 B25325 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.6 CC(C1CCCCC1)O B20363 [1,0,0,0,1,0|1,0,0]=3 92 B9R1.6 CN(C)C1CCCCC1 L14521 [1,0,0,0,1,0|1,0,0]=3 93 B9R1.6 CN(C)C1CCNCC1 L20176 [1,0,0,0,1,0|2,0,0]=4 94 B9R1.6 C[C@@H](C1CCCCC1)N L19066 [1,0,0,0,1,0|0,0,0]=2 95 B9R1.6 C[C@H](C1CCCCC1)N L19051 [1,0,0,0,1,0|0,0,0]=2 96 B9R1.13 CC(=C)CC1CCCC1 B20662 [1,0,0,0,1,0|0,0,2]=4 97 B11R1.203 COCCN1CCCNCC1 H31806 [1,0,0,0,0,1|2,0,0]=4