0 B9R1.3 CC1=CCCC(C1=O)C T297577 [1,0,0,0,0,0|0,0,2]=3 1 B9R1.3 CC1CCCC(C1C)N PH010573 [1,0,0,0,0,0|2,0,1]=4 2 B9R1.3 CC1CCCC(C1N)C PH016106 [1,0,0,0,0,0|1,0,1]=3 3 B9R1.3 CC1NCCN(C1=O)C CBR01897 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.3 CC1NCCN(C1=O)C CDS012281 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.3 CN1COCN(C1=O)C PH001353 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.40 CC1(CCC=CC1=O)C T203114 [1,0,0,0,0,0|0,0,2]=3 7 B9R1.40 CC1(CCCCC1O)O S352799 [1,0,0,0,0,0|1,0,2]=4 8 B9R1.40 CC1(CNCCC1=O)C PHB00252 [1,0,0,0,0,0|1,0,0]=2 9 B9R1.40 CC1(CNCCC1O)C PHB00253 [1,0,0,0,0,0|1,0,2]=4 10 B9R1.66 CC1(CC(CCO1)N)C CDS009920 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.66 CC1(CCCC(C1)O)C S480940 [1,0,0,0,0,0|1,0,1]=3 12 B9R1.66 CN1CCNC(C1)(C)C CBR00658 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.325 CC1CC(N(C(C1)(C)C)C)C PH012628 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.424 CC1=CCCC(C1C=O)(C)C CDS005151 [0,1,0,0,0,0|0,0,3]=4 15 B11R1.511 CC1CCC(C(C1=O)(C)C)C S942162 [0,1,0,0,0,0|0,0,0]=1 16 B11R1.1322 CC1(CCCC(C1=O)(C)C)C S97706 [0,1,0,0,0,0|0,0,0]=1 17 B11R1.1322 O=C1C(CCCC1(Cl)Cl)(Cl)Cl S556807 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.1 CCC(C)CCCC(C)C S765406 [0,0,1,0,0,0|1,0,1]=3 19 B9R0.6 CCCC(C)C(=O)C(C)C S433179 [0,0,1,0,0,0|0,0,0]=1 20 B9R0.32 CC(C)C(=O)C(C)(C)CO PH007270 [0,0,1,0,0,0|1,0,0]=2 21 B9R0.60 C=CCC(C)(C)C(=O)CC S312657 [0,0,1,0,0,0|0,0,2]=3 22 B11R2.739 C1(CC2CC1C(C2)(C)C)O T258679 [0,0,0,1,0,0|2,0,1]=4 23 B11R1.561 CC1CCCC(CC1=O)(C)C T187402 [0,0,0,0,0,1|0,0,0]=1 24 B8R0.7 C(=O)NCCCN(C)C S360856 [1,0,1,0,0,0|2,0,0]=4 25 B8R0.7 CC(C)CCCCCN CDS001505 [1,0,1,0,0,0|1,0,1]=4 26 B8R0.7 CCCCCCC(C)C S430935 [1,0,1,0,0,0|1,0,1]=4 27 B8R0.28 CC(=O)CCCC(C)C CDS000306 [1,0,1,0,0,0|0,0,1]=3 28 B8R0.28 CC(=O)CCCN(C)C PH014778 [1,0,1,0,0,0|1,0,1]=4 29 B8R0.28 CC(=O)CSCC(C)C EME00074 [1,0,1,0,0,0|1,0,1]=4 30 B8R0.28 CC(C)CCCC(=O)O CDS003381 [1,0,1,0,0,0|1,0,1]=4 31 B8R0.28 CC(C)CNCC(C)C S835676 [1,0,1,0,0,0|1,0,1]=4 32 B8R0.28 CC(C)COCC(C)O CDS018532 [1,0,1,0,0,0|1,0,1]=4 33 B8R0.2 CCC(Br)C(=O)N(C)C PH009303 [1,0,1,0,0,0|2,0,0]=4 34 B8R0.2 CCC(C)C(=O)C(C)C S431117 [1,0,1,0,0,0|0,0,0]=2 35 B8R0.2 CCC(C)C(O)C(C)C S408050 [1,0,1,0,0,0|0,0,2]=4 36 B8R0.2 CNC(C)C(=O)N(C)C CDS021081 [1,0,1,0,0,0|2,0,0]=4 37 B8R0.3 CCCC(O)C(=O)CC PH008572 [1,0,1,0,0,0|1,0,0]=3 38 B8R0.3 CCC[C@H](N)C(=O)OC CDS003875 [1,0,1,0,0,0|2,0,0]=4 39 B8R0.8 CCCCC(=O)N(C)C S939811 [1,0,1,0,0,0|1,0,0]=3 40 B8R0.8 CN(C)C(=O)CCCN CBR00927 [1,0,1,0,0,0|2,0,0]=4 41 B8R0.8 COCCC(=O)C(C)C CDS024032 [1,0,1,0,0,0|1,0,0]=3 42 B8R0.21 CCCCCC(C)(C)O S431567 [1,0,1,0,0,0|0,0,1]=3 43 B8R0.21 CCCCSC(C)(C)C S570575 [1,0,1,0,0,0|1,0,1]=4 44 B8R0.25 CCCCC(Cl)(Cl)C=O PH014412 [1,0,1,0,0,0|2,0,0]=4 45 B8R0.14 CCCC(=O)C(C)(C)C CDS021484 [1,0,1,0,0,0|0,0,0]=2 46 B8R0.14 CCCC(O)C(C)(C)C S431532 [1,0,1,0,0,0|0,0,2]=4 47 B8R0.14 CCNC(=O)C(C)(C)O S536970 [1,0,1,0,0,0|2,0,0]=4 48 B8R0.24 CC(CS)CC(C)(C)C S663433 [1,0,1,0,0,0|1,0,1]=4 49 B8R0.27 CC(C)C(O)C(C)(C)C S411973 [1,0,1,0,0,0|0,0,2]=4 50 B8R0.27 CN(C)C(=O)C(C)(C)N CBR01553 [1,0,1,0,0,0|2,0,0]=4 51 B8R0.27 CN(C)C(=O)C(C)(C)N CDS024007 [1,0,1,0,0,0|2,0,0]=4 52 B8R0.13 CNC(=O)C(C)(C)NC CDS021433 [1,0,1,0,0,0|2,0,0]=4 53 B8R0.34 CC(C)CC(C)(C)CO S444049 [1,0,1,0,0,0|1,0,1]=4 54 B8R0.34 CCC(C)(O)CC(C)C S411906 [1,0,1,0,0,0|1,0,1]=4 55 B8R0.12 C=CCC(C)(C)C(=O)C T292311 [1,0,1,0,0,0|0,0,2]=4 56 B8R0.12 CCCC(C)(C)C(=O)C PH011400 [1,0,1,0,0,0|0,0,0]=2 57 B8R0.12 CCCC(C)(O)C(=O)C PH007070 [1,0,1,0,0,0|1,0,0]=3 58 B8R0.12 CSCC(C)(C)C(=O)O PH007648 [1,0,1,0,0,0|2,0,0]=4 59 B8R0.30 CCCC(C)(O)CCC S431621 [1,0,1,0,0,0|1,0,1]=4 60 B8R1.4 CC1CCCC(C1)N CDS007614 [2,0,0,0,0,0|1,0,1]=4 61 B8R1.4 CC1CCCC(C1)S CDS023316 [2,0,0,0,0,0|1,0,1]=4 62 B8R1.4 CC1CCOC(O1)C S346918 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 CC1COCC(N1)C CDS019404 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.4 CC1CSCC(O1)C S347396 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 N1C(CCCC1C)C S379425 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.4 N1C(CCCC1C)C S379727 [2,0,0,0,0,0|1,0,0]=3 67 B8R1.5 CC1SCCNC1=O R305707 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 NC1CCCNC1=O CDS020148 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 N[C@H]1CCCNC1=O CDS019710 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 O=C1CCOCC1F SYX00096 [2,0,0,0,0,0|2,0,0]=4 71 B8R1.72 CC1(CCCCN1)C PH019129 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.72 CC1(CCNCC1)C CDS012487 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.72 CC1(CNCCN1)C CDS009230 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.72 CC1(CNCCO1)C CDS019319 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.72 C[N+]1(CCCCC1)C S347310 [2,0,0,0,0,0|1,0,1]=4 76 B8R1.72 C[Si]1(CCCCC1)C S584983 [2,0,0,0,0,0|0,1,1]=4 77 B10R0.3 CC(C)CCCC(C)CC=O CDS014268 [0,1,1,0,0,0|0,0,0]=2 78 B10R0.35 CCCC(C)C(=O)C(C)CC S504696 [0,1,1,0,0,0|0,0,0]=2 79 B10R0.35 CCCC(C)C(O)C(C)CC S505005 [0,1,1,0,0,0|0,0,2]=4 80 B10R0.42 C=CCCCC(C)(C)C(=O)O PH002545 [0,1,1,0,0,0|0,0,2]=4 81 B10R0.42 CCOCCC(C)(C)C(=O)O PH007502 [0,1,1,0,0,0|1,0,0]=3 82 B10R0.117 CC(C)C(=O)C(C)(C)C(=O)N PH008447 [0,1,1,0,0,0|1,0,1]=4 83 B10R1.2 CC1CCC/C(=C\O)/C1=O T219460 [1,1,0,0,0,0|0,0,2]=4 84 B10R1.2 CCC1NCCN(C1=O)C CDS011887 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.2 CCN1CCNC(C1=O)C CBR00710 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.2 CN1CCCC(C1=O)C#N PH003422 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.245 C(=O)N1C(CCCC1C)C S400149 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.245 CC1CCCC(C1=NO)C PH009689 [1,1,0,0,0,0|0,0,1]=3 89 B10R1.38 CC\1(CCCC/C1=N/N)C T294047 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.230 CC1(CCCCC1=O)CO T183903 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.307 CC1(COCC(N1)(C)C)C TMT00005 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.329 CC1CC(CC(C1)(C)C)N PH009940 [1,1,0,0,0,0|0,0,1]=3 93 B10R1.329 CC1CC(CC(C1)(C)C)O S419001 [1,1,0,0,0,0|0,0,1]=3 94 B10R1.329 CC1CC(NC(C1)(C)C)C PH012624 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.485 CC1CCCC(O1)(C)CO PH018430 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.485 CC1CCOC(O1)(C)CO S697842 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.485 CN1CCCC(C1)(C)CO CBR00480 [1,1,0,0,0,0|1,0,1]=4 98 B12R1.510 CN1C(CC(CC1(C)C)O)(C)C S304433 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.1258 CC1=C(C(CCC1)(C)C)C(=O)Cl S240575 [0,2,0,0,0,0|0,0,1]=3 100 B10R1.277 CC1CCCC(=O)CC1=O T271306 [0,0,1,1,0,0|1,0,1]=4 101 B10R1.23 CC(O)C(=O)N1CCCC1 PH010531 [0,0,1,1,0,0|2,0,0]=4 102 B10R1.23 CN(C)C(=O)C1CCCN1 CDS012608 [0,0,1,1,0,0|2,0,0]=4 103 B10R1.275 CN1CCCC[C@@H](C1=O)N CDS014105 [0,0,1,1,0,0|2,0,0]=4 104 B10R1.275 O=C1C(CCCCC1Br)Br S330213 [0,0,1,1,0,0|2,0,0]=4 105 B10R1.315 CC1(C(=O)C(C1O)(C)C)C S291390 [0,0,1,1,0,0|1,0,0]=3 106 B10R1.411 COC(=O)C1(CCCC1)N PH010854 [0,0,1,1,0,0|2,0,0]=4 107 B10R2.25 CC1C2CCC(C2)C1N T282251 [1,0,0,1,0,0|1,0,1]=4 108 B10R2.179 CC1CCCC2(C1C2)C T180742 [1,0,0,1,0,0|1,0,1]=4 109 B12R2.3903 CC1(CC(=O)C2(C1C=C2)C)C T180726 [0,0,0,1,0,1|0,0,2]=4 110 B12R2.3867 CC1(C=CCC2CC2C1=O)C T172642 [0,0,0,1,0,1|0,0,2]=4 111 B12R2.5336 CC1(CC[C@H]2O[C@]2([C@@H]1O)C)C T245038 [0,0,0,1,0,1|0,0,2]=4 112 B12R2.1012 C=C1C2CC(C(C2)C1(C)C)Cl S714348 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.2264 CNC1C2CCC(C2)C1(C)C PH012599 [0,1,0,1,0,0|1,0,1]=4 114 B12R2.509 [C@@H]12CC[C@@](C1)([C@@H](C2(C)C)O)C CDS012478 [0,1,0,1,0,0|0,0,2]=4 115 B12R2.1957 CC1(C2CCC(C1C2)CO)C S455504 [0,1,0,1,0,0|1,0,1]=4 116 B8R1.51 CC1CCC(N1)(C)C CBR01640 [1,0,0,0,1,0|1,0,0]=3 117 B8R1.51 CC1CNC(C1)(C)C CBR01529 [1,0,0,0,1,0|1,0,1]=4 118 B8R1.51 CC1COC(O1)(C)C T332623 [1,0,0,0,1,0|2,0,0]=4 119 B8R1.51 CC1NC(CO1)(C)C PH016117 [1,0,0,0,1,0|2,0,0]=4 120 B10R0.37 CC(C)(C)NC(=O)C(Br)CBr PH006358 [0,0,1,0,0,1|2,0,0]=4 121 B10R0.37 CC(C)(C)OC(=O)[C@@H](N)CO CDS013925 [0,0,1,0,0,1|2,0,0]=4 122 B10R0.37 CC[C@@H](N)C(=O)OC(C)(C)C CDS007745 [0,0,1,0,0,1|1,0,0]=3 123 B12R1.1038 CC1CCCC(CCC1=O)(C)C T191744 [0,0,0,0,0,2|0,0,0]=2