0 B9R0.2 CCC=CCCOC(=O)C CSC015190845 [0,0,0,0,0,0|2,0,2]=4 1 B9R0.2 CCCCCCCC(=O)N CSC011216093 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.2 CCCCCCOC(=O)C CSC000032130 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.2 CCOCCCNC(=O)C CSC000161218 [0,0,0,0,0,0|3,0,0]=3 4 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|2,0,0]=3 5 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|2,0,1]=4 6 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|1,0,1]=3 7 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|2,0,1]=4 8 B8R0.4 CCSCCOCCO CSC011409966 [1,0,0,0,0,0|2,0,1]=4 9 B8R0.4 CSCCCCCCO CSC012179070 [1,0,0,0,0,0|1,0,1]=3 10 B8R0.4 CSCCCCCSC CSC009866234 [1,0,0,0,0,0|3,0,0]=4 11 B8R0.7 CCCCSCC(=C)C CSC000026947 [1,0,0,0,0,0|3,0,0]=4 12 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|2,0,1]=4 13 B10R0.3 COCC(=O)NCCC(=O)O CSC000195326 [0,1,0,0,0,0|2,0,1]=4 14 B10R0.4 CC(=O)OCCCCCC=C CSC000037147 [0,1,0,0,0,0|1,0,2]=4 15 B10R0.4 CCCCCCCNC(=O)C CSC009862821 [0,1,0,0,0,0|1,0,0]=2 16 B10R0.4 CCCCCCCNC(=O)N CSC009878357 [0,1,0,0,0,0|1,0,0]=2 17 B10R0.4 CCCCCCCOC(=O)C CSC000036323 [0,1,0,0,0,0|1,0,0]=2 18 B10R0.4 CCCCOCCOC(=O)C CSC000032999 [0,1,0,0,0,0|2,0,0]=3 19 B10R0.4 COCCOCCOC(=O)C CSC000062832 [0,1,0,0,0,0|3,0,0]=4 20 B10R0.22 CCCCCCNS(=O)(=O)C CSC000171105 [0,1,0,0,0,0|2,0,1]=4 21 B10R0.74 CCCCCCCC(=O)NN CSC000181853 [0,1,0,0,0,0|1,0,0]=2 22 B10R0.74 CCCCCCCC(=O)OC CSC011217195 [0,1,0,0,0,0|0,0,0]=1 23 B10R0.74 CCCCCCNC(=O)NC CSC000235370 [0,1,0,0,0,0|2,0,0]=3 24 B10R0.74 CCOCCCNC(=O)CC CSC000161224 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.74 CCOCCSCC(=O)OC CSC000001124 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.75 CCCCCNC(=O)C(=O)N CSC048324000 [0,1,0,0,0,0|2,0,1]=4 27 B10R0.75 COCCCNC(=O)C(=O)O CSC000238783 [0,1,0,0,0,0|2,0,1]=4 28 B10R0.78 CCCCC(=O)NCC(=O)O CSC000205572 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.97 CC(=O)NCCCCC(=O)O CSC011593336 [0,1,0,0,0,0|1,0,1]=3 30 B10R0.97 CC(C)OCCCNC(=O)C CSC000161839 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.18 CC(=O)CN1CCCCC1 CSC000180294 [0,0,0,1,0,0|2,0,0]=3 32 B10R1.18 CC(=O)CN1CCOCC1 CSC000180433 [0,0,0,1,0,0|3,0,0]=4 33 B10R1.18 CC(=O)NC1CCCCC1 CSC000158227 [0,0,0,1,0,0|2,0,0]=3 34 B10R1.18 CC(=O)NC1CCCOC1 CSC011884898 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.18 CC(=O)NC1CCSCC1 CSC011670947 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.18 CC(=O)OC1CCCCC1 CSC000026541 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.18 CC(O)CN1CCCCC1 CSC011217603 [0,0,0,1,0,0|2,0,1]=4 38 B10R1.18 NC(=O)CC1CCCCO1 CSC000725203 [0,0,0,1,0,0|2,0,0]=3 39 B10R1.18 NC(=O)CN1CCSCC1 CSC011321854 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.18 NC(=O)OC1CCCCC1 CSC000123476 [0,0,0,1,0,0|2,0,0]=3 41 B10R1.39 CC(=O)N1CCCC1CN CSC000706156 [0,0,0,1,0,0|3,0,0]=4 42 B10R1.39 CC(=O)N1CCCC1CO CSC011474066 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.39 CC(=O)N1CCC[C@H]1CO CSC012003343 [0,0,0,1,0,0|3,0,0]=4 44 B10R1.39 CCC1CCCN1C(=O)N CSC011386413 [0,0,0,1,0,0|2,0,0]=3 45 B10R1.39 CCC1NCCC1C(=O)N CSC015706231 [0,0,0,1,0,0|2,0,0]=3 46 B10R1.39 CCN1CCC[C@H]1C(=O)N CSC015708101 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.61 CC1CCCCN1C(=O)N CSC000238911 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.61 CC1CNCCN1C(=O)C CSC011725993 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.61 CC1CSCCN1C(=O)N CSC011976846 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.61 CC1NCCCC1C(=O)N CSC012079615 [0,0,0,1,0,0|2,0,0]=3 51 B10R1.61 CC1OCCCC1C(=O)N CSC016159393 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.61 C[C@@H]1CNCCN1C(=O)C CSC012025876 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.61 C[C@@H]1COCCN1C(=O)C CSC014106315 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.61 C[C@H]1CNCCN1C(=O)C CSC012025909 [0,0,0,1,0,0|3,0,0]=4 55 B10R1.64 CC1OCCC1NC(=O)C CSC013100664 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.66 CC(=O)NCC1CCCN1 CSC011696608 [0,0,0,1,0,0|3,0,0]=4 57 B10R1.66 CC(=O)NCC1CCCO1 CSC000158280 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.66 CC(=O)NCC1CCSC1 CSC014215000 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.66 CC(=O)OCC1CCCO1 CSC000006207 [0,0,0,1,0,0|3,0,0]=4 60 B10R1.66 NC(=O)CCC1CCCC1 CSC000162258 [0,0,0,1,0,0|1,0,0]=2 61 B10R1.66 NC(=O)COC1CCCC1 CSC011347441 [0,0,0,1,0,0|2,0,0]=3 62 B10R1.348 CC(=O)N1CCCCCC1 CSC000157747 [0,0,0,1,0,0|2,0,0]=3 63 B10R1.348 NC(=O)C1CCCCCC1 CSC011707493 [0,0,0,1,0,0|1,0,0]=2 64 B9R0.45 CCCCCCSCCO CSC011304839 [1,1,0,0,0,0|0,0,1]=3 65 B9R0.45 CSCCCCCCSC CSC000036278 [1,1,0,0,0,0|2,0,0]=4 66 B9R0.46 CCCCSCC(O)CO CSC011995958 [1,1,0,0,0,0|1,0,1]=4 67 B11R0.104 CCCS(=O)(=O)NCCC(=O)O CSC000165794 [0,2,0,0,0,0|2,0,0]=4 68 B11R0.40 CCCCCCCCC(=O)NN CSC011203378 [0,2,0,0,0,0|1,0,0]=3 69 B11R0.40 CCCCCCCCC(=O)OC CSC011215467 [0,2,0,0,0,0|0,0,0]=2 70 B11R0.40 CCCCCCCOC(=O)CC CSC000054044 [0,2,0,0,0,0|1,0,0]=3 71 B11R0.42 CCCCCCCC(=O)N(C)C CSC011221089 [0,2,0,0,0,0|1,0,0]=3 72 B11R0.42 CCCCCCOC(=O)C(C)C CSC000047476 [0,2,0,0,0,0|2,0,0]=4 73 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,2,0,0,0,0|0,0,1]=3 74 B11R0.46 CCCCNC(=O)NCC(=O)O CSC011205310 [0,2,0,0,0,0|1,0,1]=4 75 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|1,0,1]=4 76 B11R0.46 COCCNC(=O)CCC(=O)O CSC011309817 [0,2,0,0,0,0|1,0,1]=4 77 B11R0.148 CCCCCCCCCC(=O)N CSC011216713 [0,2,0,0,0,0|1,0,0]=3 78 B11R0.148 CCOCCOCCOC(=O)C CSC000032835 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.159 CCCCCCCNS(=O)(=O)C CSC009866289 [0,2,0,0,0,0|1,0,1]=4 80 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|1,0,1]=4 81 B11R0.154 CCCCCC(C)NC(=O)CC CSC000174102 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.154 CCCCCC(O)CC(=O)OC CSC000074991 [0,2,0,0,0,0|0,0,0]=2 83 B11R0.127 CCS(=O)(=O)NCCCC(=O)O CSC000169661 [0,2,0,0,0,0|2,0,0]=4 84 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [0,2,0,0,0,0|2,0,0]=4 85 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|1,0,0]=3 86 B11R0.4 CCOCCCNC(=O)COC CSC000161240 [0,2,0,0,0,0|2,0,0]=4 87 B11R0.70 COCCN(C)CCC(=O)OC CSC011397890 [0,2,0,0,0,0|2,0,0]=4 88 B11R0.142 CCCCCCC(C)C(=O)OC CSC000076249 [0,2,0,0,0,0|0,0,0]=2 89 B11R0.76 CCCCCCC(CC)C(=O)N CSC009828538 [0,2,0,0,0,0|1,0,0]=3 90 B11R0.164 CCCCC(CC)CNC(=O)C CSC000191438 [0,2,0,0,0,0|2,0,0]=4 91 B11R0.164 CCCCC(CC)COC(=O)C CSC000031748 [0,2,0,0,0,0|2,0,0]=4 92 B9R1.6 NC(=O)C1CCSCC1 CSC000072764 [1,0,0,1,0,0|2,0,0]=4 93 B11R1.90 CC(=O)NCC1CCCC1O CSC012367623 [0,1,0,1,0,0|2,0,0]=4 94 B11R1.90 CN1CCCC1CNC(=O)N CSC011528812 [0,1,0,1,0,0|2,0,0]=4 95 B11R1.157 CC(=O)NC1CCCC(C1)N CSC000045204 [0,1,0,1,0,0|2,0,0]=4 96 B11R1.157 CC1CCCC(C1)CC(=O)N CSC000058057 [0,1,0,1,0,0|1,0,0]=3 97 B11R1.157 CC1CCCN(C1)CC(=O)C CSC000180394 [0,1,0,1,0,0|2,0,0]=4 98 B11R1.53 CC(=O)N1CCCCC1CN CSC011552701 [0,1,0,1,0,0|2,0,0]=4 99 B11R1.53 CCC1CCCCN1C(=O)N CSC000748989 [0,1,0,1,0,0|1,0,0]=3 100 B11R1.53 CCN1CCOCC1C(=O)N CSC009986905 [0,1,0,1,0,0|2,0,0]=4 101 B11R1.57 CC(=O)NC1CCCC1CN CSC011781717 [0,1,0,1,0,0|2,0,0]=4 102 B11R1.86 CC(=O)N[C@@H]1CCCC[C@H]1O CSC013036222 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.86 CC(=O)N[C@H]1CCCC[C@@H]1O CSC013036315 [0,1,0,1,0,0|2,0,0]=4 104 B11R1.86 CC(O)CN1CCCCC1C CSC000242616 [0,1,0,1,0,0|1,0,1]=4 105 B11R1.86 CC1CCCCC1CC(=O)N CSC000055404 [0,1,0,1,0,0|1,0,0]=3 106 B11R1.86 CC1CCCCC1NC(=O)N CSC000184843 [0,1,0,1,0,0|1,0,0]=3 107 B11R1.86 CC1CCCCN1CC(=C)C CSC046267867 [0,1,0,1,0,0|2,0,0]=4 108 B11R1.86 CC1CCCCN1CC(=O)C CSC000180633 [0,1,0,1,0,0|1,0,0]=3 109 B11R1.86 CC1CCCCN1CC(=O)N CSC000174848 [0,1,0,1,0,0|1,0,0]=3 110 B11R1.86 C[C@@H]1COCCN1CC(=O)N CSC015632764 [0,1,0,1,0,0|2,0,0]=4 111 B11R1.86 NC(=O)N[C@@H]1CCCC[C@H]1O CSC012282429 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.86 NC(=O)N[C@H]1CCCC[C@@H]1O CSC012281937 [0,1,0,1,0,0|2,0,0]=4 113 B11R1.86 N[C@H]1CCCC[C@@H]1NC(=O)N [0,1,0,1,0,0|2,0,0]=4 114 B11R1.91 CC(=O)NCC1CCCCC1 CSC000159420 [0,1,0,1,0,0|1,0,0]=3 115 B11R1.91 CC(=O)NCC1CCCNC1 CSC011207013 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.91 CC(=O)NCC1CCNCC1 CSC011206997 [0,1,0,1,0,0|2,0,0]=4 117 B11R1.91 CC(=O)OCC1CCCCC1 CSC000000618 [0,1,0,1,0,0|1,0,0]=3 118 B11R1.91 CC(=O)OCC1CCCCO1 CSC000006128 [0,1,0,1,0,0|2,0,0]=4 119 B11R1.91 CC(O)CSC1CCCCC1 CSC011366878 [0,1,0,1,0,0|1,0,1]=4 120 B11R1.91 NC(=O)CCC1CCCCC1 CSC000162346 [0,1,0,1,0,0|1,0,0]=3 121 B11R1.91 NC(=O)CCC1CCNCC1 CSC000695769 [0,1,0,1,0,0|1,0,0]=3 122 B11R1.91 NC(=O)CSC1CCCCC1 CSC000149379 [0,1,0,1,0,0|1,0,0]=3 123 B11R1.91 NC(=O)NCC1CCCCO1 CSC011512277 [0,1,0,1,0,0|2,0,0]=4 124 B11R1.91 NC(=O)NCC1CCCSC1 CSC015335565 [0,1,0,1,0,0|2,0,0]=4 125 B11R1.91 NC(=O)NCC1CCSCC1 CSC011991091 [0,1,0,1,0,0|2,0,0]=4 126 B11R1.143 CC1CCSCCN1C(=O)N CSC016019756 [0,1,0,1,0,0|2,0,0]=4 127 B11R1.193 CNCC1CCCN1C(=O)C CSC012662834 [0,1,0,1,0,0|2,0,0]=4 128 B11R1.193 CSCC1CCCN1C(=O)N CSC015948896 [0,1,0,1,0,0|2,0,0]=4 129 B11R1.742 CC(=O)NC1CCCCCC1 CSC000161067 [0,1,0,1,0,0|1,0,0]=3 130 B11R1.742 CC(O)CN1CCCCCC1 CSC011366126 [0,1,0,1,0,0|1,0,1]=4 131 B11R1.742 NC(=O)CC1CCCCCC1 CSC012282423 [0,1,0,1,0,0|1,0,0]=3 132 B11R1.742 NC(=O)NC1CCCCCC1 CSC000238987 [0,1,0,1,0,0|1,0,0]=3 133 B11R1.156 CC1CCCC(N1C(=O)C)C CSC000243328 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.928 CC(=O)NC1(CCCCC1)C CSC000243741 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.928 CC1(CCCCC1)CC(=O)N CSC009956530 [0,1,0,1,0,0|1,0,0]=3 136 B11R1.20 CC1CCN(CC1)CC(=O)N CSC000174812 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.20 CC1CCN(CC1)CC(=O)O CSC020604374 [0,1,0,1,0,0|1,0,0]=3 138 B11R1.20 CN1CCC(CC1)CC(=O)N CSC000051843 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.20 C[C@H]1CC[C@@H](CC1)NC(=O)C [0,1,0,1,0,0|2,0,0]=4 140 B11R1.266 CCC1CC(CCO1)C(=O)N CSC015400545 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.313 CC1C(CCC1=O)CC(=O)N CSC015612225 [0,1,0,1,0,0|1,0,1]=4 142 B11R1.25 NNC(=O)CCC1CCCC1 CSC000189796 [0,1,0,1,0,0|1,0,0]=3 143 B11R1.40 CCC(=O)NC1CCCCC1 CSC000158241 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.40 COC(=O)C=C1CCCCC1 CSC011528868 [0,1,0,1,0,0|0,0,2]=4 145 B11R1.40 COC(=O)CC1CCOCC1 CSC012001292 [0,1,0,1,0,0|1,0,0]=3 146 B11R1.40 COC(=O)CN1CCCCC1 CSC000188175 [0,1,0,1,0,0|1,0,0]=3 147 B11R1.40 COC(=O)CN1CCOCC1 CSC000188174 [0,1,0,1,0,0|2,0,0]=4 148 B11R1.40 COC(=O)NC1CCCCC1 CSC000235984 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.40 NCC(=O)NC1CCCCC1 CSC000168466 [0,1,0,1,0,0|2,0,0]=4 150 B11R1.222 CNC(=O)N1CCCCC1C CSC000235144 [0,1,0,1,0,0|2,0,0]=4 151 B11R1.222 COC(=O)C1CCCCC1C CSC023680028 [0,1,0,1,0,0|0,0,0]=2 152 B11R1.222 COC(=O)C1CCCCN1C CSC000234682 [0,1,0,1,0,0|1,0,0]=3 153 B11R1.222 C[C@@H]1COCCN1C(=O)CO CSC016133227 [0,1,0,1,0,0|2,0,0]=4 154 B11R1.852 CCC(=O)N1CCCCCC1 CSC000157761 [0,1,0,1,0,0|2,0,0]=4 155 B11R1.852 COC(=O)C1CCCCCC1 CSC000699111 [0,1,0,1,0,0|0,0,0]=2 156 B11R1.852 COC(=O)N1CCCNCC1 CSC000748934 [0,1,0,1,0,0|2,0,0]=4 157 B11R1.35 OC(=O)C(=O)NC1CCCC1 CSC000238784 [0,1,0,1,0,0|1,0,1]=4 158 B11R1.36 CN(C1CCCCC1)C(=O)C CSC000174167 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.713 NC(=O)NCC1(CCCC1)O CSC011855633 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.178 CC(=O)N1CCC[C@@H]1C(=O)O CSC011787707 [0,1,0,1,0,0|1,0,1]=4 161 B11R2.853 NC(=O)N[C@]12C[C@H]1CCC2 [0,0,0,2,0,0|2,0,0]=4