0 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [0,0,0,0,0,0|1,0,0]=1 1 B9R0.1 COC(=O)CCCC(=O)C CSC000015542 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.1 COC(=O)CSCC(C)C CSC000151547 [0,0,0,0,0,0|3,0,0]=3 3 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,0,0,0,0,0|3,0,0]=4 4 B8R0.6 COC(=O)CCCSC CSC011216297 [1,0,0,0,0,0|3,0,0]=4 5 B8R0.7 CCCCSCC(C)C CSC000018356 [1,0,0,0,0,0|2,0,1]=4 6 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [0,1,0,0,0,0|1,0,1]=3 7 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,1,0,0,0,0|0,0,0]=1 8 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|2,0,1]=4 9 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,1,0,0,0,0|1,0,0]=2 10 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [0,1,0,0,0,0|2,0,0]=3 11 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,1,0,0,0,0|1,0,0]=2 12 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [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 B10R0.65 CCS(=O)(=O)NCCC(C)C CSC000169639 [0,1,0,0,0,0|2,0,0]=3 15 B10R0.98 CC(C)CCNC(=O)C(=O)N CSC000013945 [0,1,0,0,0,0|2,0,1]=4 16 B10R0.98 CC(C)CCNC(=O)C(C)C CSC000171972 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.98 CC(C)CCOC(=O)C(C)C CSC000024460 [0,1,0,0,0,0|0,0,0]=1 18 B10R1.14 CC1CCN(C1)C(=O)CN CSC011434122 [0,0,0,1,0,0|2,0,0]=3 19 B10R1.14 CCC(C)N1CCC(C1)C CSC016127000 [0,0,0,1,0,0|2,0,1]=4 20 B10R1.14 CNC(=O)C1COC(C1)C CSC013751935 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.14 COC(=O)C1CCC(C1)C CSC010443940 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.150 CC1CC(C1)NC(=O)CN CSC012918362 [0,0,0,1,0,0|2,0,0]=3 23 B10R1.150 CCC(C)NC1CC(C1)C CSC013186805 [0,0,0,1,0,0|2,0,1]=4 24 B10R1.171 CCN1CCCC(C1)(C)C CSC046134827 [0,0,0,1,0,0|3,0,0]=4 25 B10R1.197 CCN1CCCC(CC1)C CSC015405514 [0,0,0,1,0,0|3,0,0]=4 26 B10R1.428 CCC(C)NC1CC1(C)C CSC011568050 [0,0,0,1,0,0|2,0,1]=4 27 B8R0.9 COC(=O)CSC(C)C CSC000151538 [0,0,0,0,1,0|2,0,0]=3 28 B10R0.55 CCC(=O)NCCCN(C)C CSC000159970 [0,0,0,0,0,1|2,0,0]=3 29 B9R0.5 CCCC(=O)NCCSC CSC000161292 [1,1,0,0,0,0|2,0,0]=4 30 B9R0.5 CCCCCC(=O)OCC CSC000170156 [1,1,0,0,0,0|1,0,0]=3 31 B9R0.5 CCCCNC(=O)CNC CSC000213093 [1,1,0,0,0,0|1,0,0]=3 32 B9R0.5 CCCCNC(=O)COC CSC000159063 [1,1,0,0,0,0|1,0,0]=3 33 B9R0.5 CCCCNC(=O)NCC CSC000163430 [1,1,0,0,0,0|1,0,0]=3 34 B9R0.5 CCCCOC(=O)CCC CSC011212260 [1,1,0,0,0,0|0,0,0]=2 35 B9R0.5 CCNC(=O)NCCOC CSC000163157 [1,1,0,0,0,0|2,0,0]=4 36 B9R0.5 COCCNC(=O)COC CSC000157859 [1,1,0,0,0,0|2,0,0]=4 37 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [1,1,0,0,0,0|2,0,0]=4 38 B9R0.20 CCCCNS(=O)(=O)CC CSC000169618 [1,1,0,0,0,0|2,0,0]=4 39 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|2,0,0]=4 40 B9R0.34 CCCC(C)NC(=O)CC CSC000174104 [1,1,0,0,0,0|1,0,0]=3 41 B9R0.34 CCCC(C)NC(=O)OC CSC000236099 [1,1,0,0,0,0|2,0,0]=4 42 B9R0.34 CCCC(O)CC(=O)OC CSC000065524 [1,1,0,0,0,0|2,0,0]=4 43 B9R0.46 CCC(=O)NCCCOC CSC000159236 [1,1,0,0,0,0|1,0,0]=3 44 B9R0.46 CCCCCCC(=O)OC CSC011215249 [1,1,0,0,0,0|2,0,0]=4 45 B9R0.46 CCCCCNC(=O)CC CSC000157985 [1,1,0,0,0,0|1,0,0]=3 46 B9R0.46 CCCCCOC(=O)CC CSC000031694 [1,1,0,0,0,0|0,0,0]=2 47 B9R0.46 CNC(=O)NCCCOC CSC000235188 [1,1,0,0,0,0|2,0,0]=4 48 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [1,1,0,0,0,0|2,0,0]=4 49 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [1,1,0,0,0,0|1,0,0]=3 50 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [1,1,0,0,0,0|2,0,0]=4 51 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [1,1,0,0,0,0|0,0,0]=2 52 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [1,1,0,0,0,0|2,0,0]=4 53 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|0,0,2]=4 54 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|2,0,0]=4 55 B9R0.56 CC(C)CCNS(=O)(=O)C CSC000169638 [1,1,0,0,0,0|2,0,0]=4 56 B9R0.21 CCC(=O)NCC(C)(C)C CSC011466750 [0,1,0,0,1,0|1,0,0]=3 57 B9R0.21 CNC(=O)CCC(C)(C)N CSC011964573 [0,1,0,0,1,0|1,0,0]=3 58 B9R0.23 CC(C)CC(N)C(=O)NN CSC011965212 [0,1,0,0,1,0|2,0,0]=4 59 B9R0.23 CC(C)CN(C)C(=O)CN CSC011284681 [0,1,0,0,1,0|2,0,0]=4 60 B9R0.23 CNC(=O)C(N)CC(C)C CSC000746592 [0,1,0,0,1,0|1,0,0]=3 61 B9R0.42 CCC(=O)NC(C)C(C)C CSC011195746 [0,1,0,0,1,0|1,0,0]=3 62 B9R0.42 COC(=O)NC(C)C(C)C CSC000236162 [0,1,0,0,1,0|2,0,0]=4 63 B9R0.64 CCS(=O)(=O)NCC(C)C CSC000169685 [0,1,0,0,1,0|2,0,0]=4 64 B11R0.29 CC(C)C(=O)NCCCN(C)C CSC000242841 [0,1,0,0,0,1|2,0,0]=4 65 B11R0.106 CCC(=O)OCCOC(=O)CC CSC009881842 [0,1,0,0,0,1|1,0,1]=4 66 B11R0.114 CCC(=O)NCCSC(C)(C)C CSC019654434 [0,1,0,0,0,1|1,0,0]=3 67 B11R0.145 CCC(C)C(=O)OCCC(C)C CSC000026081 [0,1,0,0,0,1|1,0,1]=4 68 B11R0.145 CNC(=O)C(=O)NCCC(C)C CSC000019531 [0,1,0,0,0,1|2,0,0]=4 69 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,1,0,0,0,1|1,0,1]=4 70 B11R0.176 CCNC(=O)NCCCN(C)C CSC000163502 [0,1,0,0,0,1|2,0,0]=4 71 B11R0.176 COCC(=O)NCCCN(C)C CSC000159979 [0,1,0,0,0,1|2,0,0]=4 72 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,2,0,0,0,0|0,0,0]=2 73 B11R0.141 CCOC(=O)CCN(C)C(C)C CSC011277828 [0,2,0,0,0,0|2,0,0]=4 74 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [0,2,0,0,0,0|1,0,0]=3 75 B11R0.84 CC(C)CCNC(=O)C(C)(C)C CSC000171971 [0,2,0,0,0,0|1,0,0]=3 76 B11R0.84 CN(C)CCNC(=O)C(C)(C)C CSC000188723 [0,2,0,0,0,0|2,0,0]=4 77 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [1,0,0,1,0,0|2,0,0]=4 78 B11R1.20 CC(C)CN1CCC(=C)CC1 CSC046248345 [0,0,0,1,0,1|2,0,0]=4 79 B11R1.20 CC(C)NC1CCC(=CC1)C CSC046188881 [0,0,0,1,0,1|2,0,0]=4 80 B11R1.23 CC1CN(CCO1)C(=O)CO CSC011315799 [0,0,0,1,0,1|2,0,0]=4 81 B11R1.23 CCC(=O)N1CCCC(C1)C CSC000158584 [0,0,0,1,0,1|1,0,0]=3 82 B11R1.23 CCC(=O)N1CCCC(C1)N CSC011448211 [0,0,0,1,0,1|2,0,0]=4 83 B11R1.23 CCC(=O)N1CCCC(C1)O CSC011196166 [0,0,0,1,0,1|2,0,0]=4 84 B11R1.23 CCC(=O)N1CCC[C@@H](C1)O CSC014194176 [0,0,0,1,0,1|2,0,0]=4 85 B11R1.23 CCC(=O)N1CCC[C@H](C1)N CSC013922359 [0,0,0,1,0,1|2,0,0]=4 86 B11R1.23 COC(=O)C1CCCC(C1)C CSC012174915 [0,0,0,1,0,1|2,0,0]=4 87 B11R1.23 C[C@H]1CN(CCO1)C(=O)CO CSC047571423 [0,0,0,1,0,1|2,0,0]=4 88 B11R1.227 COC(=O)C1CCCC1(C)C CSC013034982 [0,0,0,1,0,1|2,0,0]=4 89 B11R1.15 CC1CCN(C1)C(=O)CC#N CSC011434157 [0,1,0,1,0,0|1,0,1]=4 90 B11R1.15 CC1CCN(C1)C(=O)CCN CSC011434084 [0,1,0,1,0,0|1,0,0]=3 91 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,1,0,1,0,0|2,0,0]=4 92 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,1,0,1,0,0|2,0,0]=4 93 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.15 CCNC(=O)C1CCN(C1)C CSC015427873 [0,1,0,1,0,0|2,0,0]=4 97 B11R1.15 CCNC(=O)N1CCC(C1)N CSC000705615 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.15 CCNC(=O)N1CC[C@@H](C1)N CSC012983631 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.15 CCNC(=O)N1CC[C@H](C1)N CSC012983294 [0,1,0,1,0,0|2,0,0]=4 100 B11R1.720 CC(C)CCNC(=O)C1CC1 CSC000159401 [0,1,0,1,0,0|1,0,0]=3 101 B11R1.720 CN(C)CCNC(=O)C1CC1 CSC000159992 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.225 CCC(=O)N1CC(CC1C)O CSC016052019 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.897 CCC(=O)NC1CC(C1)(F)F CSC015312058 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.22 CCC(=O)N1CCC(CC1)C CSC000161174 [0,1,0,1,0,0|1,0,0]=3 105 B11R1.22 CCC(=O)N1CCN(CC1)C CSC000157808 [0,1,0,1,0,0|2,0,0]=4 106 B11R1.866 CCC(=O)N1CCC(C1)(C)O CSC012605656 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.866 CNC(=O)N1CCC(C1)(C)O CSC013666772 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.866 COC(=O)C1CCC(C1)(C)C CSC015445278 [0,1,0,1,0,0|2,0,0]=4 109 B11R1.44 CCC(=O)N1CC[C@@H](C1)OC CSC015770736 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.44 CNC(=O)N1CC[C@@H](C1)OC CSC015916964 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.44 CO[C@H]1CCN(C1)C(=O)CN CSC015426919 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.865 CCC(=O)N1CCC(C1C)N CSC014903367 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.226 CCC(=O)N1CC(C(C1)N)C CSC014043241 [0,1,0,1,0,0|1,0,0]=3 114 B11R0.111 CCC(=O)NCCCOC(C)C CSC000161843 [0,0,0,0,0,2|1,0,0]=3