0 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.48 CCNC(=O)NCC(=C)C CSC012183401 [0,0,0,0,0,0|2,0,2]=4 2 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [0,0,0,0,0,0|1,0,1]=2 3 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [0,0,0,0,0,0|0,0,0]=0 4 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,0,0,0,0,0|3,0,0]=4 6 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|1,0,0]=2 7 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.7 CCCCSCC(C)C CSC000018356 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.9 COC(=O)CSC(C)C CSC000151538 [1,0,0,0,0,0|1,0,0]=2 10 B10R0.26 CCOC(=O)CN(C)C(C)C CSC000227145 [0,1,0,0,0,0|1,0,0]=2 11 B10R0.26 COCC(=O)NC(C)C(C)C CSC000208441 [0,1,0,0,0,0|3,0,0]=4 12 B10R0.57 CCC(C)C(=O)OCC(C)C CSC000026080 [0,1,0,0,0,0|2,0,0]=3 13 B10R0.57 CNC(=O)C(=O)NCC(C)C CSC015427634 [0,1,0,0,0,0|3,0,0]=4 14 B10R0.78 CCCNC(=O)NCC(C)C CSC000163605 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.96 CC(C)CNC(=O)CC(C)C CSC000160783 [0,1,0,0,0,0|2,0,0]=3 16 B10R0.96 CC(C)OC(=O)CCC(=O)C CSC000031084 [0,1,0,0,0,0|1,0,1]=3 17 B10R0.108 CCOC(=O)CNC(=O)CN CSC011367924 [0,1,0,0,0,0|2,0,1]=4 18 B10R0.108 CCOC(=O)NCC(=O)OC CSC000161429 [0,1,0,0,0,0|2,0,1]=4 19 B10R0.109 CCCC(=O)NCC(C)(C)C CSC011466744 [0,1,0,0,0,0|2,0,0]=3 20 B10R0.109 CCOC(=O)CCC(C)(C)C CSC012130662 [0,1,0,0,0,0|0,0,0]=1 21 B10R0.109 CCOC(=O)CCC(C)(F)F CSC000054117 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.109 CCOC(=O)CCC(F)(F)F CSC011215681 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.109 CCOC(=O)CNS(=O)(=O)C CSC000238371 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.1 CCCN1CCC(CC1)C CSC046230074 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.1 CCNC1CCC(CC1)C CSC000188952 [0,0,0,1,0,0|2,0,1]=4 26 B10R1.43 CCN1C(CCC1(C)C)C CSC046341189 [0,0,0,1,0,0|2,0,1]=4 27 B10R1.66 CC(C)CCN1CCCC1 CSC000224194 [0,0,0,1,0,0|3,0,0]=4 28 B10R1.66 CC(C)NCC1CCCO1 CSC000223896 [0,0,0,1,0,0|2,0,1]=4 29 B10R1.66 CC(C)SCC1CCCO1 CSC015450385 [0,0,0,1,0,0|2,0,1]=4 30 B10R1.95 CCCN1CCC(C1)(C)C CSC046554388 [0,0,0,1,0,0|3,0,0]=4 31 B10R1.113 CC(C)N1CCC=C(C1)F CSC046177040 [0,0,0,1,0,0|3,0,0]=4 32 B10R1.140 CCOC(=O)C1CC(=O)C1 CSC000094141 [0,0,0,1,0,0|1,0,1]=3 33 B10R1.140 CCOC(=O)C1CC(C1)C CSC009829402 [0,0,0,1,0,0|0,0,0]=1 34 B10R1.140 COCC(=O)N1CC(C1)C CSC015989043 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.211 CC(C)CNC(=O)C1CC1 CSC000160776 [0,0,0,1,0,0|2,0,0]=3 36 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [0,0,0,0,0,1|2,0,1]=4 37 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,0,0,0,0,1|1,0,0]=2 38 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,0,0,0,0,1|1,0,1]=3 39 B10R0.3 CCOC(=O)CSCC(=O)C CSC000172134 [0,0,0,0,0,1|1,0,1]=3 40 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,0,0,0,0,1|2,0,0]=3 41 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [0,0,0,0,0,1|3,0,0]=4 42 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,0,0,0,0,1|2,0,0]=3 43 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,0,0,0,0,1|3,0,0]=4 44 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|0,0,0]=2 45 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,1,0,0,0,0|2,0,0]=4 46 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|2,0,0]=4 47 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|0,0,0]=2 50 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|1,0,0]=3 53 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|1,0,0]=3 54 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [1,1,0,0,0,0|0,0,1]=3 56 B9R0.5 CCOC(=O)CSCC#N CSC000172129 [1,1,0,0,0,0|1,0,1]=4 57 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [1,1,0,0,0,0|2,0,0]=4 58 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,0]=2 59 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|2,0,0]=4 60 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,1,0,0,0,0|2,0,0]=4 61 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,1,0,0,0,0|2,0,0]=4 62 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|0,0,0]=2 63 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [1,1,0,0,0,0|0,0,0]=2 64 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [1,1,0,0,0,0|2,0,0]=4 65 B9R0.7 CC(C)CNC(=O)C(C)C CSC000171983 [1,1,0,0,0,0|1,0,0]=3 66 B9R0.7 CC(C)COC(=O)C(C)C CSC000005786 [1,1,0,0,0,0|1,0,0]=3 67 B9R0.21 CCC(=O)NCC(C)(C)C CSC011466750 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.21 CNC(=O)CCC(C)(C)N CSC011964573 [1,1,0,0,0,0|1,0,0]=3 69 B9R0.21 COC(=O)C#CC(C)(C)C CSC011966636 [1,1,0,0,0,0|0,0,2]=4 70 B9R0.21 COC(=O)CCC(F)(F)F CSC011217211 [1,1,0,0,0,0|2,0,0]=4 71 B9R0.23 CC(C)CC(N)C(=O)NN CSC011965212 [1,1,0,0,0,0|2,0,0]=4 72 B9R0.23 CC(C)CN(C)C(=O)CN CSC011284681 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [1,1,0,0,0,0|1,0,0]=3 74 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|0,0,0]=2 75 B9R0.42 CCC(=O)NC(C)C(C)C CSC011195746 [1,1,0,0,0,0|1,0,0]=3 76 B9R0.42 COC(=O)NC(C)C(C)C CSC000236162 [1,1,0,0,0,0|1,0,0]=3 77 B9R0.64 CCS(=O)(=O)NCC(C)C CSC000169685 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.44 CCOC(=O)CC(C)(C)C CSC000170348 [0,1,0,0,1,0|0,0,0]=2 79 B9R0.44 CCOC(=O)CC(C)(F)F CSC000070698 [0,1,0,0,1,0|1,0,0]=3 80 B9R0.44 CCOC(=O)CS(=O)(=O)C CSC011215758 [0,1,0,0,1,0|2,0,0]=4 81 B9R0.53 CC(C)CC(=O)NC(C)C CSC000157551 [0,1,0,0,1,0|1,0,0]=3 82 B9R0.53 CC(C)CC(=O)OC(C)C CSC000170143 [0,1,0,0,1,0|0,0,0]=2 83 B11R0.1 CCOC(=O)CC(=O)NC(C)C CSC000058733 [0,1,0,0,0,1|0,0,1]=3 84 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,1,0,0,0,1|1,0,0]=3 85 B11R0.141 CCOC(=O)CCN(C)C(C)C CSC011277828 [0,1,0,0,0,1|0,0,0]=2 86 B11R0.145 CCC(C)C(=O)OCCC(C)C CSC000026081 [0,1,0,0,0,1|1,0,0]=3 87 B11R0.145 CNC(=O)C(=O)NCCC(C)C CSC000019531 [0,1,0,0,0,1|2,0,0]=4 88 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [0,1,0,0,0,1|1,0,0]=3 89 B11R0.174 CCOC(=O)CSCC(=O)OC CSC000151535 [0,1,0,0,0,1|1,0,1]=4 90 B11R0.163 CCCNC(=O)NC(C)C(C)C CSC000163021 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|2,0,0]=4 92 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|1,0,1]=4 93 B11R0.34 CC(O)CNC(=O)OC(C)(C)C CSC000765332 [0,2,0,0,0,0|2,0,0]=4 94 B11R0.34 C[C@@H](O)CNC(=O)OC(C)(C)C CSC011830446 [0,2,0,0,0,0|2,0,0]=4 95 B11R0.34 C[C@H](O)CNC(=O)OC(C)(C)C CSC011934493 [0,2,0,0,0,0|2,0,0]=4 96 B11R0.9 CCCC(=O)OCC(CC)CC CSC000083641 [0,2,0,0,0,0|2,0,0]=4 97 B11R0.9 CCOC(=O)CCN(CC)CC CSC000177620 [0,2,0,0,0,0|1,0,0]=3 98 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [1,0,0,1,0,0|2,0,0]=4 99 B11R1.15 CC1CCN(C1)C(=O)CCN CSC011434084 [0,0,0,1,0,1|2,0,0]=4 100 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,0,0,1,0,1|2,0,0]=4 101 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,0,0,1,0,1|2,0,0]=4 102 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,0,0,1,0,1|2,0,0]=4 103 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,0,0,1,0,1|2,0,0]=4 104 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,0,0,1,0,1|2,0,0]=4 105 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,0,0,1,0,1|2,0,0]=4 106 B11R1.15 CCNC(=O)N1CCC(C1)N CSC000705615 [0,0,0,1,0,1|2,0,0]=4 107 B11R1.15 CCNC(=O)N1CC[C@@H](C1)N CSC012983631 [0,0,0,1,0,1|2,0,0]=4 108 B11R1.15 CCNC(=O)N1CC[C@H](C1)N CSC012983294 [0,0,0,1,0,1|2,0,0]=4 109 B11R1.15 CCOC(=O)C1CNC(=O)C1 CSC011840728 [0,0,0,1,0,1|1,0,1]=4 110 B11R1.90 CC(C)CSC1CCOC1C CSC016167669 [0,0,0,1,0,1|1,0,1]=4 111 B11R1.157 CC(C)CN1CCC=C(C1)F CSC046217746 [0,0,0,1,0,1|2,0,0]=4 112 B11R1.157 CC(C)CN1CCOC(C1)C CSC046208235 [0,0,0,1,0,1|1,0,1]=4 113 B11R1.157 CC(C)CN1CCO[C@H](C1)C CSC015826093 [0,0,0,1,0,1|1,0,1]=4 114 B11R1.157 CC(N)CN1CCNC(=O)C1 CSC011201087 [0,0,0,1,0,1|2,0,0]=4 115 B11R1.157 CC(O)CN1CCNC(=O)C1 CSC046212591 [0,0,0,1,0,1|2,0,0]=4 116 B11R1.720 CC(C)CCNC(=O)C1CC1 CSC000159401 [0,0,0,1,0,1|1,0,0]=3 117 B11R1.720 CN(C)CCNC(=O)C1CC1 CSC000159992 [0,0,0,1,0,1|2,0,0]=4 118 B11R1.718 CC(C)C(C)NC(=O)C1CC1 CSC000208442 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.821 CCNC(=O)C1CC(C1)(F)F CSC015275093 [0,1,0,1,0,0|2,0,0]=4 120 B11R1.1417 CC(C)(C)CNC(=O)C1CC1 CSC011466760 [0,1,0,1,0,0|2,0,0]=4 121 B11R0.176 CCNC(=O)NCCCN(C)C CSC000163502 [0,0,0,0,0,2|2,0,0]=4