0 B10R1.18 CC(=C)CN1CCSCC1 CSC046242140 [0,0,0,0,0,0|2,1,0]=3 1 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,0,0,0,0,0|3,1,0]=4 5 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.18 CC(C)CN1CCCCC1 CSC000240348 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.18 CC(C)CN1CCOCC1 CSC000230502 [0,0,0,0,0,0|2,0,1]=3 8 B10R1.18 CC(C)CN1CCSCC1 CSC046212026 [0,0,0,0,0,0|2,1,1]=4 9 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,0,0,0,0,0|2,0,1]=3 10 B10R1.18 CC(O)CN1CCOCC1 CSC000696257 [0,0,0,0,0,0|1,0,1]=2 11 B10R1.18 NC(=O)CC1CCCCO1 CSC000725203 [0,0,0,0,0,0|4,0,0]=4 12 B10R1.18 NC(=O)CN1CCC=CC1 CSC000111594 [0,0,0,0,0,0|2,0,1]=3 13 B10R1.18 NC(=O)CN1CCSCC1 CSC011321854 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.8 NCCN1CCSCC1 CSC000755026 [1,0,0,0,0,0|1,1,1]=4 16 B11R1.20 CC1CCN(CC1)CC(=C)C CSC046176590 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 CC1CCN(CC1)CC(=O)N CSC000174812 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 CC1CCN(CC1)CC(=O)O CSC020604374 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.20 CN1CCC(CC1)CC(=O)N CSC000051843 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.20 CN1CCN(CC1)CC(=O)C CSC000180308 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.36 CC(O)C(=O)N1CCOCC1 CSC000726831 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.36 C[C@@H](O)C(=O)N1CCOCC1 CSC010981896 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.36 C[C@H](O)C(=O)N1CCOCC1 CSC010981895 [0,1,0,0,0,0|1,0,2]=4 24 B11R1.36 NC(=O)C(=O)N1CCCCC1 CSC009959333 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.36 OC(=O)C(=O)N1CCOCC1 CSC011297152 [0,1,0,0,0,0|0,0,1]=2 26 B11R1.40 CC(CO)CN1CCCCC1 CSC011934647 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.40 CC(CO)CN1CCOCC1 CSC011934869 [0,1,0,0,0,0|1,0,1]=3 28 B11R1.40 CCC(C)CN1CCOCC1 CSC012721623 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.40 CCC(O)CN1CCOCC1 CSC011366110 [0,1,0,0,0,0|1,0,1]=3 30 B11R1.40 CNC(=O)CN1CCOCC1 CSC000174636 [0,1,0,0,0,0|1,0,0]=2 31 B11R1.40 COC(=O)C=C1CCCCC1 CSC011528868 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.40 COC(=O)CC1CCOCC1 CSC012001292 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.40 COC(=O)CN1CCCCC1 CSC000188175 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.40 COC(=O)CN1CCOCC1 CSC000188174 [0,1,0,0,0,0|0,0,0]=1 35 B11R1.40 COC(=O)NC1CCCCC1 CSC000235984 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.86 CC(C)CN1CCOC[C@@H]1C CSC035970470 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.86 CC(C)CN1CCOC[C@H]1C CSC015631500 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.86 CC(O)CN1CCCCC1C CSC000242616 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.86 CC1CCCCN1CC(=C)C CSC046267867 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.86 CC1CSCCN1CC(=C)C CSC048452615 [0,1,0,0,0,0|2,1,0]=4 44 B11R1.86 C[C@@H]1COCCN1CC(=O)N CSC015632764 [0,1,0,0,0,0|1,0,0]=2 45 B11R1.157 CC(C)CN1CCOC(C1)C CSC046208235 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.157 CC(C)CN1CCO[C@H](C1)C CSC015826093 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.157 CC(O)CN1CCCC(C1)O CSC011477882 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.157 CC(O)CN1CCC[C@@H](C1)O CSC014194658 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.157 CC1CCCC(C1)CC(=O)N CSC000058057 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.157 CC1CCCN(C1)CC(=C)C CSC046241438 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.157 CC1CCCN(C1)CC(=O)C CSC000180394 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.157 CC1CN(CCO1)CC(=O)N CSC000241723 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.157 CC1CN(CCS1)CC(=C)C CSC048989636 [0,1,0,0,0,0|2,1,0]=4 54 B11R1.157 C[C@H]1CN(CCO1)CC(=O)N CSC016060265 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.928 CC1(CCCCC1)CC(=O)N CSC009956530 [0,1,0,0,0,0|3,0,0]=4 56 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,0,1,0,0,0|3,0,0]=4 57 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,0,1,0,0,0|3,0,0]=4 58 B9R1.6 CC(=O)N1CCSCC1 CSC011323056 [0,0,0,0,1,0|1,1,0]=3 59 B9R1.6 NC(=O)C1CCSCC1 CSC000072764 [0,0,0,0,1,0|2,1,0]=4 60 B9R1.6 NC(=O)N1CCOCC1 CSC000189380 [0,0,0,0,1,0|1,0,0]=2 61 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [0,0,0,0,0,1|3,0,0]=4 62 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [0,0,0,0,0,1|3,0,0]=4 63 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,0,0,0,0,1|3,0,0]=4 64 B11R1.91 CC(C)CCN1CCOCC1 CSC000224585 [0,0,0,0,0,1|2,0,1]=4 65 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,0,0,0,0,1|3,0,0]=4 66 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [0,0,0,0,0,1|3,0,0]=4 67 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.91 NC(=O)NCC1CCSCC1 CSC011991091 [0,0,0,0,0,1|2,1,0]=4 69 B11R1.742 CC(N)CN1CCCOCC1 CSC011783123 [0,0,0,0,0,1|2,0,1]=4 70 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,0,0,0,0,1|2,0,1]=4 71 B11R1.742 CC(O)CN1CCCOCC1 CSC011783528 [0,0,0,0,0,1|1,0,1]=3 72 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [0,0,0,0,0,1|3,0,0]=4 73 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,1,0,0,0|2,0,0]=4 74 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,1,1,0,0,0|1,0,0]=3 75 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,1,1,0,0,0|1,0,1]=4 76 B10R0.79 CC(O)CN(CCO)CCO CSC011215414 [0,1,1,0,0,0|1,0,1]=4 77 B10R0.79 CCCN(CCC)CC(=O)C CSC000180475 [0,1,1,0,0,0|2,0,0]=4 78 B10R1.1 OC1CCN(CC1)CC=C CSC000209592 [1,1,0,0,0,0|2,0,0]=4 79 B10R1.4 CC1CCCCN1CCO CSC011305533 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.4 CC1CSCCN1CC=C CSC015287369 [1,1,0,0,0,0|1,1,0]=4 81 B10R1.10 CC1CN(CCO1)CCN CSC000748911 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.10 CC1CN(CCS1)CC=C CSC016025637 [1,1,0,0,0,0|1,1,0]=4 83 B10R1.15 C=CC(=O)N1CCOCC1 CSC011215905 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.17 CCCCN1CCOCC1 CSC000224583 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.17 COCCN1CCNCC1 CSC000235850 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.17 COCCN1CCOCC1 CSC000234383 [1,1,0,0,0,0|0,0,1]=3 87 B10R1.17 NCCCN1CCOCC1 CSC000210481 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.17 OCCSC1CCOCC1 CSC011786569 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.13 CC1CCN(CC1)C(=O)C CSC000161169 [0,1,0,0,1,0|2,0,0]=4 90 B10R1.13 CC1CCN(CC1)C(=O)N CSC000238906 [0,1,0,0,1,0|2,0,0]=4 91 B10R1.13 CN1CCN(CC1)C(=O)C CSC000157794 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.28 CS(=O)(=O)N1CCOCC1 CSC000169602 [0,1,0,0,1,0|1,0,1]=4 93 B10R1.61 CC1CCCCN1C(=O)N CSC000238911 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,1,0,0,1,0|2,0,0]=4 95 B10R1.61 CC1CSCCN1C(=O)N CSC011976846 [0,1,0,0,1,0|1,1,0]=4 96 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,1,0,0,1,0|1,0,0]=3 98 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.113 CC(=O)N1CCCC(C1)N CSC011448215 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.113 CC(=O)N1CCCC(C1)O CSC011196156 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.113 CC(=O)N1CCC[C@@H](C1)O CSC012179998 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.113 CC(=O)N1CCC[C@H](C1)N CSC012662833 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.113 CC(=O)N1CCC[C@H](C1)O CSC009851125 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.113 CC1CCCN(C1)C(=O)C CSC000158579 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.113 CC1CN(CCO1)C(=O)C CSC000243026 [0,1,0,0,1,0|1,0,0]=3 106 B10R1.113 CC1CN(CCS1)C(=O)N CSC011840667 [0,1,0,0,1,0|1,1,0]=4 107 B10R1.113 C[C@H]1CN(CCO1)C(=O)C CSC047888309 [0,1,0,0,1,0|1,0,0]=3 108 B10R1.23 CC(N1CCCC1)C(=O)N CSC000174582 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.23 NC(=O)C(=O)N1CCCC1 CSC048036079 [0,1,0,0,1,0|1,0,1]=4 110 B10R1.23 OC(=O)C(=O)N1CCCC1 CSC000238780 [0,1,0,0,1,0|0,0,1]=3 111 B10R1.27 COC(=O)CC1CCCC1 CSC000148925 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.27 COC(=O)CC1CCCO1 CSC000244803 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.64 NC(=O)CN1CCCC1=O CSC000182930 [0,1,0,0,1,0|1,0,1]=4 114 B12R1.21 CC1CCN(CC1)CCC(=O)O CSC000740328 [0,1,0,0,0,1|1,0,0]=3 115 B12R1.27 CNC(=O)CCN1CCOCC1 CSC011255422 [0,1,0,0,0,1|1,0,0]=3 116 B12R1.27 CNC(=O)NCC1CCOCC1 CSC011653241 [0,1,0,0,0,1|2,0,0]=4 117 B12R1.27 COC(=O)CCN1CCOCC1 CSC000177612 [0,1,0,0,0,1|0,0,0]=2 118 B12R1.27 COC(=O)CSC1CCCCC1 CSC000173156 [0,1,0,0,0,1|2,0,0]=4 119 B12R1.107 CN(CC(=O)O)C1CCCCC1 CSC046177201 [0,1,0,0,0,1|2,0,0]=4 120 B12R1.125 CC1CCCCN1CCC(=O)O CSC000727554 [0,1,0,0,0,1|1,0,0]=3 121 B12R1.125 CC1COCCC1CNC(=O)C CSC015246556 [0,1,0,0,0,1|2,0,0]=4 122 B12R1.125 C[C@@H]1COCCN1CC=C(C)C CSC016165448 [0,1,0,0,0,1|2,0,0]=4 123 B12R1.125 C[C@H]1COCCN1CC=C(C)C CSC047862111 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.226 CC1CC(CCO1)CNC(=O)C CSC015329359 [0,1,0,0,0,1|2,0,0]=4 125 B12R1.226 CC1CCCN(C1)CCC(=O)O CSC025718150 [0,1,0,0,0,1|1,0,0]=3 126 B12R1.226 CC1CN(CCO1)CC=C(C)C CSC016050734 [0,1,0,0,0,1|2,0,0]=4 127 B12R1.226 C[C@H]1CN(CCO1)CC=C(C)C CSC016168174 [0,1,0,0,0,1|2,0,0]=4 128 B12R1.3110 CC(=O)NCC1(CCOCC1)C CSC012691598 [0,1,0,0,0,1|2,0,0]=4 129 B12R1.210 NC(=O)CN1CCCCCC1=O CSC000162079 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.874 CC1CN(CCCO1)CC(=O)N CSC011783626 [0,1,0,0,0,1|1,0,0]=3 131 B12R1.1748 COC(=O)CN1CCCCCC1 CSC000223722 [0,1,0,0,0,1|1,0,0]=3 132 B12R1.2197 OC(=O)C(=O)N1CCCCCC1 CSC011297163 [0,1,0,0,0,1|1,0,1]=4 133 B12R1.20 CN1CCN(CC1)C(=O)C(=O)O CSC011236238 [0,2,0,0,0,0|1,0,1]=4 134 B12R1.49 CC1CCN(CC1)CC(=O)NN CSC011882005 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.49 CNC(=O)CN1CCC(CC1)C CSC000006996 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.49 COC(=O)CN1CCC(CC1)C CSC000188176 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.49 COC(=O)CN1CCC(CC1)N CSC011193518 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.49 COC(=O)CN1CCN(CC1)C CSC000188177 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.34 COC(=O)C(C)N1CCCCC1 CSC000216032 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.34 COC(=O)C(C)N1CCOCC1 CSC000241391 [0,2,0,0,0,0|0,0,0]=2 141 B12R1.124 CC1CCCCN1C(=O)C(=O)O CSC011297153 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.225 CC(N1CCCC(C1)N)C(=O)N CSC011448329 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.225 CC(N1CCC[C@H](C1)N)C(=O)N CSC013924263 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.225 CC(N1CCOC(C1)C)C(=O)N CSC000241718 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.225 CC(N1CCO[C@H](C1)C)C(=O)N CSC015503246 [0,2,0,0,0,0|1,0,0]=3 146 B12R1.225 OC1CCCN(C1)C(=O)C(=O)O CSC011478019 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.253 CC(C)(N1CCOCC1)C(=O)N CSC000083960 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.32 CCNC(=O)CN1CCNCC1 CSC000245842 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.32 CCOC(=O)CC1CCCCC1 CSC000171474 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.32 CCOC(=O)CC1CCOCC1 CSC011218914 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.32 CCOC(=O)CN1CCOCC1 CSC000188100 [0,2,0,0,0,0|0,0,0]=2 152 B12R1.32 CCOC(=O)CN1CCSCC1 CSC011247055 [0,2,0,0,0,0|0,1,0]=3 153 B12R1.32 COCC(O)CN1CCOCC1 CSC000732631 [0,2,0,0,0,0|0,0,2]=4 154 B12R1.50 CNC(=O)CN1CCCC(C1)N CSC011448242 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.50 CNC(=O)CN1CCC[C@H](C1)N CSC013924324 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.50 CNC(=O)CN1CCNC(C1)C CSC012275594 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.50 CNC(=O)CN1CCOC(C1)C CSC015872756 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.50 CNC(=O)CN1CCO[C@H](C1)C CSC015954903 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.50 COC(=O)CN1CCCC(C1)C CSC000224321 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.50 COC(=O)CN1CCCC(C1)N CSC011448299 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.118 COC(CN1CCOCC1)OC CSC012442566 [0,2,0,0,0,0|0,0,2]=4 162 B12R1.371 CNC(=O)CN1CCNCC1C CSC015925670 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.371 CNC(=O)CN1CCNC[C@@H]1C CSC013103483 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.371 CNC(=O)CN1CCNC[C@H]1C CSC013103667 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.371 CNC(=O)CN1CCOC[C@H]1C CSC015352531 [0,2,0,0,0,0|1,0,0]=3 166 B12R1.371 COC(=O)CN1CCCCC1C CSC000227854 [0,2,0,0,0,0|1,0,0]=3 167 B12R1.127 CC1CN(C(CO1)C)CC(=C)C CSC046084525 [0,2,0,0,0,0|2,0,0]=4 168 B12R1.224 CC1OCCN(C1C)CC(=C)C CSC046311507 [0,2,0,0,0,0|2,0,0]=4 169 B12R1.391 CC(=C)CN1CCOCC1(C)C CSC046112828 [0,2,0,0,0,0|2,0,0]=4 170 B12R1.1009 CC1COCC(N1CC(=C)C)C CSC047373671 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.1009 C[C@H]1CNC[C@H](N1CC(=O)N)C [0,2,0,0,0,0|2,0,0]=4 172 B12R1.1009 C[C@H]1CNC[C@H](N1CC(=O)N)C CSC009951244 [0,2,0,0,0,0|2,0,0]=4 173 B12R1.101 CC1CN(CC(N1)C)CC(=O)N CSC011938575 [0,2,0,0,0,0|2,0,0]=4 174 B12R1.101 C[C@H]1CN(C[C@H](O1)C)CC(=C)C [0,2,0,0,0,0|2,0,0]=4 175 B12R1.1821 CC(=C)CN1CCOC(C1)(C)C CSC048971730 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O CSC013127553 [0,2,0,0,0,0|2,0,0]=4 177 B12R1.1821 CC1(CCCN(C1)CC(=O)O)C CSC011980041 [0,2,0,0,0,0|1,0,0]=3 178 B10R1.32 CCN1C[C@H](C[C@H]1CO)O CSC015913532 [0,0,1,1,0,0|1,0,1]=4 179 B12R2.3511 COC(=O)C1C2C1CCCC2 CSC000765033 [0,1,0,1,0,0|2,0,0]=4 180 B10R1.85 C=CCN1CCCNCC1 CSC011220860 [1,0,0,0,0,1|2,0,0]=4 181 B10R1.85 N#CCN1CCCOCC1 CSC011599115 [1,0,0,0,0,1|1,0,1]=4 182 B10R1.85 NCCN1CCCOCC1 CSC000709817 [1,0,0,0,0,1|1,0,1]=4 183 B10R1.85 OCCN1CCCOCC1 CSC011783524 [1,0,0,0,0,1|0,0,1]=3