0 B6R0.6 C=C=CCCCO CVT00100 [0,0,0,0,0,0|3,0,0]=3 1 B6R0.6 C=CCSCCC S357391 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 CCCCCSC S357952 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 CCCCNC=O S550981 [0,0,0,0,0,0|0,1,2]=3 4 B6R0.6 CCCCSC#N S449814 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.6 CCCNCCC R580155 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.6 CCCOCC#N PH011429 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 CCCSCCO S408859 [0,0,0,0,0,0|2,1,1]=4 8 B6R0.6 CCO/C=N\C#N ANV00247 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.6 CCOCC[Hg]Cl S564443 [0,0,0,0,0,0|4,0,0]=4 10 B6R0.6 CCSCCCO PH017932 [0,0,0,0,0,0|2,1,1]=4 11 B6R0.6 COCCCC=O CDS022820 [0,0,0,0,0,0|2,1,1]=4 12 B6R0.6 COCCN=C=O CBR02010 [0,0,0,0,0,0|1,1,0]=2 13 B6R0.6 COCCNC=O PH007296 [0,0,0,0,0,0|1,1,2]=4 14 B6R0.6 FCCCCCBr CBR02103 [0,0,0,0,0,0|3,0,1]=4 15 B6R0.6 [C-]#[N+]CCCOC PH015420 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.2 C#CCSCC R436380 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.2 C=C=CCCI T230871 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.2 C=CCNCC PH014544 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.2 C=CCSCC S620327 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.2 CCC/C=N/O S429139 [1,0,0,0,0,0|0,1,1]=3 21 B5R0.2 CCCCSC S447420 [1,0,0,0,0,0|1,0,1]=3 22 B5R0.2 CCCC[Hg]Cl S829617 [1,0,0,0,0,0|2,0,0]=3 23 B5R0.2 CCCNCC CDS000615 [1,0,0,0,0,0|1,0,2]=4 24 B5R0.2 CCCOCC CDS000380 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.2 CCOCCN CDS000379 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.2 CCSCCO PH011451 [1,0,0,0,0,0|1,1,1]=4 27 B5R0.2 CNCCCBr PH013730 [1,0,0,0,0,0|1,0,2]=4 28 B5R0.2 COCCSC S698245 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 CSCCC#N T160407 [1,0,0,0,0,0|2,0,1]=4 30 B7R0.1 C(=O)NCCCOC S363286 [0,1,0,0,0,0|0,1,2]=4 31 B7R0.1 C/C=C\CCCCO S310700 [0,1,0,0,0,0|2,0,1]=4 32 B7R0.1 C=CCCCCCO S303445 [0,1,0,0,0,0|2,0,1]=4 33 B7R0.1 CCCCCC[Hg]Cl S572519 [0,1,0,0,0,0|2,0,1]=4 34 B7R0.1 CCCCCON=O CDS000385 [0,1,0,0,0,0|2,1,0]=4 35 B7R0.1 CCCCSCCC S367192 [0,1,0,0,0,0|2,0,1]=4 36 B7R0.1 CCCCSCCO S527408 [0,1,0,0,0,0|1,1,1]=4 37 B7R0.1 CCCNCCC#N PH017151 [0,1,0,0,0,0|2,0,1]=4 38 B7R0.1 CCCOCCCN CDS000217 [0,1,0,0,0,0|2,0,1]=4 39 B7R0.1 CCOCCCNN PH019429 [0,1,0,0,0,0|3,0,0]=4 40 B7R0.1 CCSCCSCC S347876 [0,1,0,0,0,0|2,0,1]=4 41 B7R0.1 CNCCCCCO PH007838 [0,1,0,0,0,0|1,1,1]=4 42 B7R0.1 COCCCCCO PH003271 [0,1,0,0,0,0|1,1,1]=4 43 B7R0.1 COCCCN=C=S S648965 [0,1,0,0,0,0|0,0,0]=1 44 B7R0.1 N#CCCCCCN PH014777 [0,1,0,0,0,0|2,0,1]=4 45 B7R0.3 C(=O)C(=C)CCCC R425885 [0,1,0,0,0,0|1,1,1]=4 46 B7R0.3 C=C(CC)CCCC CDS000215 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 C=CCCC(O)CC PH011335 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.3 CCCCC(N)CC CDS021471 [0,1,0,0,0,0|2,0,1]=4 49 B7R0.4 CCCCCC(=N)N CBR01197 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.4 CCCCCC(C)Cl CDS000285 [0,1,0,0,0,0|2,0,1]=4 51 B7R0.4 CCCCNC(=O)C CDS013581 [0,1,0,0,0,0|0,1,2]=4 52 B7R0.4 CCCCNC(=S)N S565970 [0,1,0,0,0,0|0,0,2]=3 53 B7R0.4 CCCCSC(=N)N S500534 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.4 CCCCSC(=N)N S557153 [0,1,0,0,0,0|2,0,1]=4 55 B7R0.4 CCCCSC(C)C S570605 [0,1,0,0,0,0|2,0,1]=4 56 B7R0.4 COCCCC(C)O S671169 [0,1,0,0,0,0|3,0,0]=4 57 B7R0.7 C/C=C/C(O)CCC S417386 [0,1,0,0,0,0|2,0,1]=4 58 B7R0.7 C=CCC(O)CCC S350389 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.7 CCCC(C)CC#N PH002982 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.7 CCCC(Cl)CCC S563323 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.7 CCCC(S)CCO CDS001520 [0,1,0,0,0,0|1,1,1]=4 62 B7R1.1 BrCC1CCCC1 CDS005521 [0,0,0,1,0,0|2,0,1]=4 63 B7R1.1 CC=C1CCCC1 S431559 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.1 CCC1C=CCC1 S416223 [0,0,0,1,0,0|2,0,1]=4 65 B7R1.1 CNC1CCCC1 CDS004583 [0,0,0,1,0,0|3,0,0]=4 66 B7R1.1 NCC1CCCC1 SYX00193 [0,0,0,1,0,0|2,0,1]=4 67 B7R1.3 CC1=NCCCN1 PH016717 [0,0,0,1,0,0|2,0,1]=4 68 B7R1.3 CC1=NCCCS1 PH000571 [0,0,0,1,0,0|2,0,1]=4 69 B7R1.3 IC1=CCCCC1 PH008510 [0,0,0,1,0,0|2,0,1]=4 70 B7R1.3 NC1CCCCC1 S512877 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.3 NC1CCCCC1 S669822 [0,0,0,1,0,0|2,0,1]=4 72 B7R1.3 NC1CCCCC1 S926507 [0,0,0,1,0,0|2,0,1]=4 73 B7R1.4 CC1CCCC1C R289701 [0,0,0,1,0,0|2,0,1]=4 74 B7R1.4 CC1CCCC1O CDS001174 [0,0,0,1,0,0|1,1,1]=4 75 B7R1.4 CN1CCN=C1N S897663 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.5 CC1CC1CNN PH019040 [0,0,0,1,0,0|3,0,0]=4 77 B7R1.6 NCCC1CCC1 CBR02277 [0,0,0,1,0,0|2,0,1]=4 78 B7R1.6 NNCC1CCC1 PH019044 [0,0,0,1,0,0|3,0,0]=4 79 B7R1.6 O=C=NC1CCC1 CDS019187 [0,0,0,1,0,0|0,1,0]=2 80 B7R1.7 CCNCC1CC1 CBR01783 [0,0,0,1,0,0|1,0,2]=4 81 B7R1.7 NNCCC1CC1 PH019451 [0,0,0,1,0,0|3,0,0]=4 82 B4R0.2 CCCC[NH3+] S342920 [2,0,0,0,0,0|0,0,1]=3 83 B4R0.2 CC[PbH2]CC S818542 [2,0,0,0,0,0|1,0,1]=4 84 B4R0.2 NCCCF CDS007794 [2,0,0,0,0,0|1,0,1]=4 85 B4R0.2 OCCCF CDS002969 [2,0,0,0,0,0|1,1,0]=4 86 B4R0.2 SCCCN OTV000791 [2,0,0,0,0,0|1,0,1]=4 87 B6R0.1 CCC(C)CCN CBR00385 [1,1,0,0,0,0|1,0,1]=4 88 B6R0.1 CCCC(C)NC PH018184 [1,1,0,0,0,0|0,0,2]=4 89 B6R0.1 CCCC(N)CC CBR01120 [1,1,0,0,0,0|1,0,1]=4 90 B6R0.1 CC[C@@H](N)CC#N CDS005516 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.1 CC[C@H](N)COC PH019017 [1,1,0,0,0,0|1,0,1]=4 92 B6R0.4 C=C(Cl)CN=C=S SYX00300 [1,1,0,0,0,0|0,0,2]=4 93 B6R0.4 C=CCCC(C)C R289442 [1,1,0,0,0,0|1,0,1]=4 94 B6R0.4 CC(C)CN=C=S CDS001467 [1,1,0,0,0,0|0,0,0]=2 95 B6R0.4 CCCCC(=N)N PH017352 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.4 CCCCC(=S)N PH000512 [1,1,0,0,0,0|0,0,1]=3 97 B6R0.4 CSCCC(C)C S351520 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 [C-]#[N+]CCC(C)C CDS008921 [1,1,0,0,0,0|0,0,2]=4 99 B8R0.6 COC(=O)CCN=C=O PH010957 [0,2,0,0,0,0|0,1,1]=4 100 B8R0.7 COCCCNC(=S)N S649139 [0,2,0,0,0,0|0,0,2]=4 101 B8R0.7 NCCCCNC(=S)S PH008612 [0,2,0,0,0,0|0,0,2]=4 102 B8R0.3 COC(=O)[C@H](C)N=C=S PH015177 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.21 CCCCNP(=S)(O)O PH013343 [0,2,0,0,0,0|1,0,1]=4 104 B6R1.2 CC1CCNC1 CDS003772 [1,0,0,1,0,0|0,0,2]=4 105 B6R1.2 C[C@@H]1CCNC1 CDS006861 [1,0,0,1,0,0|0,0,2]=4 106 B6R1.2 C[C@H]1CCNC1 CDS009158 [1,0,0,1,0,0|0,0,2]=4 107 B6R1.3 CNCC1CC1 CBR00064 [1,0,0,1,0,0|0,0,2]=4 108 B6R1.3 NCCC1CC1 CDS004252 [1,0,0,1,0,0|1,0,1]=4 109 B6R1.4 CC1CCC1=O CDS021461 [1,0,0,1,0,0|0,1,1]=4 110 B6R1.6 N#CC1CCC1 CDS014291 [1,0,0,1,0,0|1,0,1]=4 111 B6R1.6 NCC1CCC1 CDS009558 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.8 CCC1CC1N CDS012189 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.8 S=C=NC1CCCC1 CDS000716 [0,1,0,1,0,0|0,0,0]=2 114 B8R1.22 CC1=NCCCCN1 S168785 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.22 S=C1NCCCCN1 PH000173 [0,1,0,1,0,0|0,0,2]=4