0 B6R0.5 C(=C\C(C)(C)C)\C S411922 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.5 C(=C\C(C)(C)C)\C S437441 [0,0,0,0,0,0|2,0,0]=2 2 B6R0.5 C=CCC(C)(C)O S437506 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.5 CC(C)(C)/C=N/O PH009800 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.5 CC(C)(C)CC#N PH014763 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.5 CC(C)(C)CCCl S416630 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.5 CC(C)(C)NC#N S435139 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.5 CC(C)(Cl)CCCl S434116 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.5 CC(C)(F)CCO PH018175 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.5 CC(C)(O)C#CBr S881309 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.5 CC(C)(O)CCCl CDS019086 [0,0,0,0,0,0|3,0,1]=4 11 B6R0.5 CC(C)(O)CCN CDS019270 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.5 CCNC(C)(C)C CDS000392 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.5 CNCC(C)(C)C CBR00855 [0,0,0,0,0,0|3,0,0]=3 14 B6R0.5 CNCC(C)(C)C CDS011416 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.5 COCC(C)(C)N CBR00858 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.5 O=CCC(F)(F)F CDS024323 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.1 C(=O)CC(C)O CDS019977 [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 C(=O)NC(C)C S378380 [1,0,0,0,0,0|1,0,0]=2 19 B5R0.1 C=COC(=O)C S458201 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 CC(C)C=NO S388378 [1,0,0,0,0,0|2,0,1]=4 21 B5R0.1 CC(C)CCCl S564524 [1,0,0,0,0,0|2,0,1]=4 22 B5R0.1 CNCC(C)C CDS000422 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.4 CC(C)(O)CN CDS007515 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.8 C(=C/[Si](C)(C)C)\CO T278297 [0,1,0,0,0,0|1,1,1]=4 25 B7R0.8 C(=C\[Si](C)(C)C)\CO T220086 [0,1,0,0,0,0|1,1,1]=4 26 B7R0.8 CC(C)(C)SCCO R395358 [0,1,0,0,0,0|0,1,2]=4 27 B7R0.9 CC(=O)CC(C)(C)S CDS009189 [0,1,0,0,0,0|2,0,0]=3 28 B7R0.9 CC(C)(C)NC(=S)N PH011066 [0,1,0,0,0,0|1,1,0]=3 29 B7R0.9 CC(C)SC(C)(C)C S570680 [0,1,0,0,0,0|1,1,1]=4 30 B7R0.9 C[Sn](C)(C)O[N+](=O)[O-] S392324 [0,1,0,0,0,0|2,0,0]=3 31 B7R0.11 C=CCC(C)(C)CO T273422 [0,1,0,0,0,0|2,0,0]=3 32 B7R0.11 C=CCC(C)(O)CC S411957 [0,1,0,0,0,0|3,0,0]=4 33 B7R0.11 CCCC(C)(C)CC R289418 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.11 CNCC(C)(C)CO CBR00150 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.11 COC(C)(C)CCN CBR01630 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.11 COCC(C)(C)CN CBR00889 [0,1,0,0,0,0|3,0,0]=4 37 B7R0.14 C/C=C(\C)/C(C)(C)C R289345 [0,1,0,0,0,0|2,0,0]=3 38 B7R0.14 C=CC(C)C(C)(C)O S433365 [0,1,0,0,0,0|3,0,0]=4 39 B7R0.14 C=CC(O)[Si](C)(C)C R173983 [0,1,0,0,0,0|2,1,0]=4 40 B7R0.14 CC(C)(C)C(=O)NN CDS004742 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.14 CC1(CCCN1)C CDS009329 [0,0,0,1,0,0|2,0,1]=4 42 B7R1.14 CC1(COCN1)C S942308 [0,0,0,1,0,0|1,0,2]=4 43 B7R1.26 CC(C)(C)C1CO1 CDS001448 [0,0,0,1,0,0|1,0,2]=4 44 B4R0.1 CC(C)NN CDS002505 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.1 CC(C)NN CDS002842 [2,0,0,0,0,0|2,0,0]=4 46 B4R0.3 C[N+](C)(C)C S433764 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.3 C[N+](C)(C)C S933384 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.3 C[SH+](C)(C)O S311383 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.1 C(=O)CC(C)OC T278319 [1,1,0,0,0,0|1,0,0]=3 50 B6R0.1 C/C=C/[C@H](C)CC R289493 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.1 C/C=C\C(C)CC R289485 [1,1,0,0,0,0|2,0,0]=4 52 B6R0.1 CCC(C)NC=O S620394 [1,1,0,0,0,0|1,0,0]=3 53 B6R0.2 C=C(C)CC(C)C R289256 [1,1,0,0,0,0|2,0,0]=4 54 B6R0.2 CC(=CC(C)C)C R289302 [1,1,0,0,0,0|2,0,0]=4 55 B6R0.2 CC(=O)NC(C)C S378992 [1,1,0,0,0,0|1,0,0]=3 56 B6R0.2 CC(C)CC(=O)[O-] S693154 [1,1,0,0,0,0|1,0,0]=3 57 B6R0.2 CC(C)OC(=S)N PH008713 [1,1,0,0,0,0|0,1,0]=3 58 B6R0.2 CC(Cl)CC(=O)O S419621 [1,1,0,0,0,0|2,0,0]=4 59 B6R0.2 CN(C)CC(=O)Cl CDS013657 [1,1,0,0,0,0|2,0,0]=4 60 B6R0.3 C=CC(C)C(C)C R289299 [1,1,0,0,0,0|2,0,0]=4 61 B6R0.3 C=CC(O)C(C)C S442062 [1,1,0,0,0,0|2,0,0]=4 62 B6R0.4 C#C/C=C/C(C)C T269360 [1,1,0,0,0,0|2,0,0]=4 63 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|2,0,0]=4 64 B6R0.4 C=CCNC(C)C CBR02371 [1,1,0,0,0,0|2,0,0]=4 65 B6R0.4 CC(C)OCCN CDS000373 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.7 CC(=O)C(C)(C)Br CDS022332 [1,1,0,0,0,0|1,0,0]=3 67 B6R0.7 CC(=O)C(C)(C)Cl S304212 [1,1,0,0,0,0|1,0,0]=3 68 B6R0.7 CC(C)(C)C(=N)N S168351 [1,1,0,0,0,0|1,0,0]=3 69 B6R0.7 CC(C)(Cl)[N+](=O)[O-] S565962 [1,1,0,0,0,0|2,0,0]=4 70 B6R0.7 CC(C)(N)C(=O)N CBR00900 [1,1,0,0,0,0|1,0,0]=3 71 B6R0.7 CC(C)(O)C(=O)[O-] R288195 [1,1,0,0,0,0|1,0,0]=3 72 B6R0.7 CC(Cl)(Cl)C(=O)[O-] R426326 [1,1,0,0,0,0|2,0,0]=4 73 B6R0.7 CC(N)C(C)(C)C CDS001121 [1,1,0,0,0,0|1,0,1]=4 74 B6R0.8 C(=O)C(C)(C)CO R425931 [1,1,0,0,0,0|0,0,0]=2 75 B6R0.8 C=CC(C)(C)CC R289280 [1,1,0,0,0,0|1,0,0]=3 76 B6R0.8 CC(C)(C#N)CCl PH008506 [1,1,0,0,0,0|1,0,1]=4 77 B6R0.8 CC(Cl)(C=O)CCl PH007234 [1,1,0,0,0,0|1,0,0]=3 78 B6R0.8 [NH2+](C)C(C)(C)CO R258164 [1,1,0,0,0,0|0,0,2]=4 79 B8R0.14 C=CCC(O)C(C)(C)C PH009857 [0,2,0,0,0,0|2,0,0]=4 80 B8R0.21 C(=C/C(C)(C)C)\CCC S411981 [0,2,0,0,0,0|2,0,0]=4 81 B8R0.21 CC(C)(C)OCCCCl S261300 [0,2,0,0,0,0|1,0,1]=4 82 B8R0.21 CC(C)(S)CCOC=O CDS012047 [0,2,0,0,0,0|1,0,0]=3 83 B8R0.24 C=C(CO)CC(C)(C)C S448338 [0,2,0,0,0,0|1,0,1]=4 84 B8R0.24 C=CC(=O)NC(C)(C)C S601497 [0,2,0,0,0,0|1,0,0]=3 85 B8R0.24 C=CC(C)CC(C)(C)C S431591 [0,2,0,0,0,0|2,0,0]=4 86 B8R0.24 CC(C)(C)NC(=O)CI PH000979 [0,2,0,0,0,0|1,0,0]=3 87 B8R0.24 CC(C)(C)OC(=O)CN T243442 [0,2,0,0,0,0|0,0,0]=2 88 B8R0.24 CNC(=O)OC(C)(C)C SYX00012 [0,2,0,0,0,0|0,0,0]=2 89 B8R0.29 C=C(Cl)CNC(C)(C)C PH010556 [0,2,0,0,0,0|2,0,0]=4 90 B8R0.29 CC(=O)CC[N+](C)(C)C S915017 [0,2,0,0,0,0|2,0,0]=4 91 B8R0.29 CC(C)(C)/C=C/B(O)O CDS021638 [0,2,0,0,0,0|1,0,1]=4 92 B8R0.29 CC(C)(C)CCC(=O)O CDS009242 [0,2,0,0,0,0|1,0,0]=3 93 B8R0.29 CC(C)(C)OCC(=O)O CDS002729 [0,2,0,0,0,0|0,0,0]=2 94 B8R0.29 CC(C)(N)CCC(=O)O T160458 [0,2,0,0,0,0|2,0,0]=4 95 B8R0.29 CC(C)(O)C#CC(=O)O CBR01106 [0,2,0,0,0,0|2,0,0]=4 96 B8R0.29 C[N+](=NOC(C)(C)C)C S887382 [0,2,0,0,0,0|2,0,0]=4 97 B8R0.27 C=C(C(=O)C)[Si](C)(C)C T227439 [0,2,0,0,0,0|1,1,0]=4 98 B8R0.27 CC(C)(C)C(=O)C(=O)O CDS001578 [0,2,0,0,0,0|1,0,0]=3 99 B8R0.27 CC(C)(S)C(N)C(=O)O S787019 [0,2,0,0,0,0|2,0,0]=4 100 B8R0.33 CC(C)(C)CS(=O)(=O)Cl CDS023332 [0,2,0,0,0,0|2,0,0]=4 101 B8R0.34 CC(=O)NC(C)(C)C#N PH001493 [0,2,0,0,0,0|1,0,1]=4 102 B8R0.34 CCC(C)(C)OC(=O)C S851981 [0,2,0,0,0,0|0,0,0]=2 103 B8R0.34 CCC(C)(O)CC(=O)O CDS000460 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.34 COC(C)(C)CC(=O)C CDS001275 [0,2,0,0,0,0|1,0,0]=3 105 B8R0.12 C=CCC(C)(C)C(=O)C T292311 [0,2,0,0,0,0|2,0,0]=4 106 B6R1.5 O=C1CC(C1)Br SYX00267 [1,0,0,1,0,0|2,0,0]=4 107 B8R1.51 CC1(CCC(=O)O1)C CDS007697 [0,1,0,1,0,0|0,0,0]=2 108 B8R1.51 CC1(CNC(=O)O1)C T283703 [0,1,0,1,0,0|0,0,0]=2 109 B8R1.51 CC1(CNC(=S)N1)C T149195 [0,1,0,1,0,0|1,1,0]=4 110 B8R1.51 CC1(COC(=O)N1)C CBR01583 [0,1,0,1,0,0|1,0,0]=3 111 B8R1.51 CC1COC(O1)(C)C T332623 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.72 CC1(CNCCO1)C CDS019319 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.77 CC1(CC1C(=O)O)C CDS011183 [0,1,0,1,0,0|1,0,0]=3 114 B8R1.19 CN1CCOC1(C)C T152765 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.19 C[N+]1=COCC1(C)C S618810 [0,1,0,1,0,0|1,0,1]=4