0 B9R0.5 CCCC(=O)NCCSC CSC000161292 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.5 CCCCCC(=O)OCC CSC000170156 [0,0,0,0,0,0|2,0,0]=2 2 B9R0.5 CCCCNC(=O)CNC CSC000213093 [0,0,0,0,0,0|2,0,0]=2 3 B9R0.5 CCCCNC(=O)COC CSC000159063 [0,0,0,0,0,0|2,0,0]=2 4 B9R0.5 CCCCNC(=O)NCC CSC000163430 [0,0,0,0,0,0|2,0,0]=2 5 B9R0.5 CCCCOC(=O)CCC CSC011212260 [0,0,0,0,0,0|0,0,0]=0 6 B9R0.5 CCNC(=O)NCCC#C CSC011979724 [0,0,0,0,0,0|2,0,2]=4 7 B9R0.5 CCNC(=O)NCCOC CSC000163157 [0,0,0,0,0,0|3,0,0]=3 8 B9R0.5 CCOC(=O)CCCC#N CSC009871613 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.5 COCCNC(=O)COC CSC000157859 [0,0,0,0,0,0|3,0,0]=3 10 B8R0.1 CCCCS(=O)CCO CSC000117714 [1,0,0,0,0,0|2,0,0]=3 11 B8R0.1 CCOC(=O)CCSC CSC000173045 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.1 CCOC(=O)CSCC CSC000172126 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.4 CCCCCCCSC CSC000033844 [1,0,0,0,0,0|2,0,1]=4 14 B8R0.4 CCCCCCSCC CSC000073868 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.4 CCCCCSCCO CSC011215970 [1,0,0,0,0,0|3,0,0]=4 16 B8R0.4 CCCCSCCCC CSC000025195 [1,0,0,0,0,0|0,1,1]=3 17 B8R0.6 CCCSCC(=O)OC CSC000151543 [1,0,0,0,0,0|3,0,0]=4 18 B8R0.6 COC(=O)CCCSC CSC011216297 [1,0,0,0,0,0|3,0,0]=4 19 B10R0.1 CCCC(=O)OCCCCO CSC000073227 [0,1,0,0,0,0|0,0,0]=1 20 B10R0.1 CCCCCCC(=O)OCC CSC011219609 [0,1,0,0,0,0|2,0,0]=3 21 B10R0.1 CCCCCNC(=O)CNC CSC000225776 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.1 CCCCCNC(=O)COC CSC000157996 [0,1,0,0,0,0|2,0,0]=3 23 B10R0.1 CCCCCOC(=O)CCC CSC000039025 [0,1,0,0,0,0|0,0,0]=1 24 B10R0.1 CCOC(=O)CCSCCO CSC011325821 [0,1,0,0,0,0|3,0,0]=4 25 B10R0.1 COCCCNC(=O)COC CSC000159247 [0,1,0,0,0,0|2,0,0]=3 26 B10R0.2 CCCC(C)NC(=O)CNC CSC000225643 [0,1,0,0,0,0|2,0,0]=3 27 B10R0.2 CCCC(C)NC(=O)COC CSC000208403 [0,1,0,0,0,0|2,0,0]=3 28 B10R0.2 CCCC(O)CC(=O)OCC CSC011216533 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.2 COCC(C)NC(=O)COC CSC000161538 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.3 CC(C)CCNC(=O)CC#N CSC011223004 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.3 CCCC(=O)OCCC(C)C CSC000024463 [0,1,0,0,0,0|0,0,0]=1 32 B10R0.3 CCOC(=O)CCCC(=O)C CSC000032325 [0,1,0,0,0,0|2,0,1]=4 33 B10R0.3 CNCC(=O)NCCC(C)C CSC000213094 [0,1,0,0,0,0|2,0,0]=3 34 B10R0.3 CNCC(=O)NCCN(C)C CSC011225625 [0,1,0,0,0,0|3,0,0]=4 35 B10R0.3 COCC(=O)NCCC(C)C CSC000159411 [0,1,0,0,0,0|2,0,0]=3 36 B10R0.3 COCC(=O)NCCN(C)C CSC000160002 [0,1,0,0,0,0|3,0,0]=4 37 B10R0.6 CCCCCC(=O)OC(C)C CSC000170157 [0,1,0,0,0,0|2,0,0]=3 38 B10R0.6 CCCCOC(=O)CC(C)C CSC011212304 [0,1,0,0,0,0|0,0,0]=1 39 B10R0.6 COCCOC(=O)C=C(C)C CSC000024270 [0,1,0,0,0,0|1,0,2]=4 40 B10R0.83 CCCCNC(=O)C(=O)NC CSC016213076 [0,1,0,0,0,0|2,0,1]=4 41 B10R0.91 CCCCC(=O)NCCC#C CSC011979654 [0,1,0,0,0,0|1,0,2]=4 42 B10R0.91 CCCCCC(=O)OCC=C CSC000006420 [0,1,0,0,0,0|1,0,2]=4 43 B10R0.91 CCCCCC(=O)OCCC CSC000170158 [0,1,0,0,0,0|1,0,0]=2 44 B10R0.91 CCCCNC(=O)NCC=C CSC000178633 [0,1,0,0,0,0|1,0,2]=4 45 B10R0.91 CCCCNC(=O)NCCC CSC000163429 [0,1,0,0,0,0|1,0,0]=2 46 B10R0.91 CCCNC(=O)NCCOC CSC000163156 [0,1,0,0,0,0|2,0,0]=3 47 B10R0.91 CCOCC(=O)NCCC#C CSC011979636 [0,1,0,0,0,0|1,0,2]=4 48 B10R1.10 CCCN1CCCC(C1)C CSC047234187 [0,0,0,1,0,0|3,0,0]=4 49 B10R1.11 CCCN(C)C1CCCC1 CSC048500926 [0,0,0,1,0,0|3,0,0]=4 50 B10R1.11 CCNC(=O)C1CCCN1 CSC011197115 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.11 CCNC(=O)C1CCNC1 CSC011790733 [0,0,0,1,0,0|3,0,0]=4 52 B10R1.11 CCNC(=O)C1CCOC1 CSC011558105 [0,0,0,1,0,0|3,0,0]=4 53 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CSC011422904 [0,0,0,1,0,0|3,0,0]=4 54 B10R1.11 CCNC(=O)[C@@H]1CCNC1 CSC018701730 [0,0,0,1,0,0|3,0,0]=4 55 B10R1.11 CCNC(=O)[C@H]1CCNC1 CSC015592258 [0,0,0,1,0,0|3,0,0]=4 56 B10R1.11 CCOC(=O)C1=CCCC1 CSC009876662 [0,0,0,1,0,0|2,0,1]=4 57 B10R1.11 CCOC(=O)C1CCCO1 CSC000171706 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.11 CCOC(=O)C1CCSC1 CSC012019184 [0,0,0,1,0,0|3,0,0]=4 59 B10R1.11 COCC(=O)N1CCCC1 CSC000158196 [0,0,0,1,0,0|2,0,0]=3 60 B10R1.11 NCCC(=O)N1CCCC1 CSC000195578 [0,0,0,1,0,0|2,0,0]=3 61 B10R1.21 CCCCNC1CCCC1 CSC000200677 [0,0,0,1,0,0|2,0,1]=4 62 B10R1.29 CCCCN1CCCC1C CSC016237178 [0,0,0,1,0,0|2,0,1]=4 63 B10R1.85 CCCN1CCCCCC1 CSC000238004 [0,0,0,1,0,0|3,0,0]=4 64 B10R1.96 CCCN1CCC(C1)CC CSC046395421 [0,0,0,1,0,0|3,0,0]=4 65 B10R1.137 CCNC(=O)NC1CCC1 CSC011910442 [0,0,0,1,0,0|2,0,0]=3 66 B10R1.137 CCOC(=O)CC1CCC1 CSC012001245 [0,0,0,1,0,0|2,0,0]=3 67 B10R1.186 CCCCNC(=O)C1CC1 CSC000159052 [0,0,0,1,0,0|1,0,0]=2 68 B10R1.186 COCCNC(=O)C1CC1 CSC000157847 [0,0,0,1,0,0|2,0,0]=3 69 B10R1.186 OCCCNC(=O)C1CC1 CSC000208351 [0,0,0,1,0,0|2,0,0]=3 70 B9R0.4 CC(C)CC(=O)OCC=C CSC000006416 [1,1,0,0,0,0|0,0,2]=4 71 B9R0.4 CCCCC(=O)OC(C)C CSC000169914 [1,1,0,0,0,0|1,0,0]=3 72 B9R0.4 CCCNC(=O)NC(C)C CSC000163085 [1,1,0,0,0,0|2,0,0]=4 73 B9R0.4 CCCOC(=O)CC(C)C CSC000170144 [1,1,0,0,0,0|0,0,0]=2 74 B9R0.4 CNCCC(=O)NC(C)C CSC011534604 [1,1,0,0,0,0|2,0,0]=4 75 B9R0.8 CCCOC(=O)C(C)CC CSC011213261 [1,1,0,0,0,0|0,0,0]=2 76 B9R0.18 CCCCC(=O)OCCC CSC000169915 [1,1,0,0,0,0|0,0,0]=2 77 B9R0.18 CCCCN(C)CCCC CSC000020957 [1,1,0,0,0,0|2,0,0]=4 78 B9R0.18 CCCCN(C)CCCN CSC011191814 [1,1,0,0,0,0|2,0,0]=4 79 B9R0.18 CCCCS(=O)CCCC CSC000031468 [1,1,0,0,0,0|1,0,0]=3 80 B9R0.18 CCCNC(=O)NCCC CSC000163711 [1,1,0,0,0,0|1,0,0]=3 81 B9R0.34 CCC(C)NC(=O)CNC CSC000225638 [1,1,0,0,0,0|2,0,0]=4 82 B9R0.34 CCC(C)NC(=O)COC CSC000157950 [1,1,0,0,0,0|2,0,0]=4 83 B9R0.34 CCCC(=O)OC(C)CC CSC000062825 [1,1,0,0,0,0|0,0,0]=2 84 B9R0.34 CCOC(=O)CC(C)CC CSC011218107 [1,1,0,0,0,0|1,0,0]=3 85 B9R0.35 CCCC(C)C(=O)OCC CSC011217054 [1,1,0,0,0,0|1,0,0]=3 86 B9R0.48 CCCC(=O)OCC(C)C CSC000005790 [1,1,0,0,0,0|0,0,0]=2 87 B9R0.48 CCOC(=O)CCC(=O)C CSC011212338 [1,1,0,0,0,0|1,0,1]=4 88 B9R0.48 CCOC(=O)CCC(C)C CSC011212201 [1,1,0,0,0,0|1,0,0]=3 89 B9R0.48 CNCC(=O)NCC(C)C CSC000168150 [1,1,0,0,0,0|2,0,0]=4 90 B9R0.66 CCCCS(=O)(=O)CCO CSC000106901 [1,1,0,0,0,0|2,0,0]=4 91 B9R0.45 CCCCSCCOCC CSC000053094 [1,1,0,0,0,0|0,1,1]=4 92 B9R0.1 CCC(=O)NCCC(C)C CSC000159400 [1,1,0,0,0,0|1,0,0]=3 93 B9R0.20 CCCCCS(=O)(=O)CC CSC009861012 [1,1,0,0,0,0|2,0,0]=4 94 B9R0.20 CCCCNS(=O)(=O)CC CSC000169618 [1,1,0,0,0,0|2,0,0]=4 95 B9R0.24 CCC(C)CCC(=O)OC CSC000079262 [1,1,0,0,0,0|2,0,0]=4 96 B9R0.47 CCCCCC(=O)N(C)C CSC011216143 [1,1,0,0,0,0|2,0,0]=4 97 B9R0.47 CCCCNC(=O)C(C)C CSC000242797 [1,1,0,0,0,0|1,0,0]=3 98 B9R0.47 CCCCNC(=O)N(C)C CSC000178555 [1,1,0,0,0,0|2,0,0]=4 99 B9R0.47 CCCCOC(=O)C(C)C CSC011212254 [1,1,0,0,0,0|0,0,0]=2 100 B9R0.47 COCCNC(=O)C(C)C CSC000242828 [1,1,0,0,0,0|2,0,0]=4 101 B11R0.2 CCCCCOC(=O)CC(C)C CSC000054031 [0,2,0,0,0,0|0,0,0]=2 102 B11R0.4 CCCC(=O)OCCC=CCC CSC020647322 [0,2,0,0,0,0|0,0,0]=2 103 B11R0.4 CCCCCCOC(=O)CCC CSC000037829 [0,2,0,0,0,0|0,0,0]=2 104 B11R0.4 CCCCSCCC(=O)OCC CSC011325042 [0,2,0,0,0,0|1,1,0]=4 105 B11R0.4 CCNC(=O)NCCCCCO CSC012017630 [0,2,0,0,0,0|2,0,0]=4 106 B11R0.4 CCOCCCNC(=O)CNC CSC000213102 [0,2,0,0,0,0|2,0,0]=4 107 B11R0.4 CCOCCCNC(=O)COC CSC000161240 [0,2,0,0,0,0|2,0,0]=4 108 B11R0.5 CCCNC(=O)NC(C)CCC CSC000163701 [0,2,0,0,0,0|1,0,0]=3 109 B11R0.81 CCCCCNC(=O)NCCC CSC000163177 [0,2,0,0,0,0|1,0,0]=3 110 B11R0.81 CCCCCOC(=O)CCCC CSC000033676 [0,2,0,0,0,0|0,0,0]=2 111 B11R0.81 CCCNC(=O)NCCCOC CSC000163483 [0,2,0,0,0,0|1,0,0]=3 112 B11R0.142 CCCCCOC(=O)C(C)CC CSC000054049 [0,2,0,0,0,0|0,0,0]=2 113 B11R0.176 CCCC(=O)OCCCC(=O)C CSC000031040 [0,2,0,0,0,0|0,0,0]=2 114 B11R0.176 CCNC(=O)NCCCN(C)C CSC000163502 [0,2,0,0,0,0|2,0,0]=4 115 B11R0.176 COCC(=O)NCCCN(C)C CSC000159979 [0,2,0,0,0,0|2,0,0]=4 116 B11R0.6 CC(C)CCOC(=O)CC(C)C CSC000024456 [0,2,0,0,0,0|0,0,0]=2 117 B11R0.145 CCC(C)C(=O)OCCC(C)C CSC000026081 [0,2,0,0,0,0|0,0,0]=2 118 B11R0.147 CCCNC(=O)NCCC(C)C CSC000163490 [0,2,0,0,0,0|1,0,0]=3 119 B11R0.191 CCCCC(CC)C(=O)OCC CSC011302611 [0,2,0,0,0,0|2,0,0]=4 120 B11R0.46 CCCCCC(=O)OCC(C)C CSC000005847 [0,2,0,0,0,0|1,0,0]=3 121 B11R0.46 CCCCNC(=O)CCC(=O)O CSC000199522 [0,2,0,0,0,0|1,0,1]=4 122 B11R0.46 CCCCOC(=O)CCC(=O)C CSC011212340 [0,2,0,0,0,0|0,0,0]=2 123 B11R0.140 CCCCCC(=O)OCCCC CSC011212308 [0,2,0,0,0,0|0,0,0]=2 124 B11R0.140 CCCCNC(=O)NCCCC CSC000163428 [0,2,0,0,0,0|1,0,0]=3 125 B11R0.9 CCCC(=O)OCC(CC)CC CSC000083641 [0,2,0,0,0,0|0,0,0]=2 126 B9R1.73 CSCC(=O)N1CCC1 CSC015245199 [1,0,0,1,0,0|2,0,0]=4 127 B9R1.80 ClCC(=O)NCC1CC1 CSC000736049 [1,0,0,1,0,0|2,0,0]=4 128 B11R1.16 CCCC(=O)N1CCOCC1 CSC000158644 [0,1,0,1,0,0|1,0,0]=3 129 B11R1.16 CCNC(=O)C1CCCCC1 CSC000160126 [0,1,0,1,0,0|2,0,0]=4 130 B11R1.16 CCNC(=O)N1CCOCC1 CSC000163406 [0,1,0,1,0,0|2,0,0]=4 131 B11R1.16 CNCC(=O)N1CCCCC1 CSC000213090 [0,1,0,1,0,0|2,0,0]=4 132 B11R1.16 COCC(=O)N1CCCCC1 CSC000157723 [0,1,0,1,0,0|2,0,0]=4 133 B11R1.16 COCC(=O)N1CCCOC1 CSC015275105 [0,1,0,1,0,0|2,0,0]=4 134 B11R1.16 COCC(=O)N1CCNCC1 CSC000739954 [0,1,0,1,0,0|2,0,0]=4 135 B11R1.16 COCC(=O)N1CCOCC1 CSC000158680 [0,1,0,1,0,0|2,0,0]=4 136 B11R1.16 COCC(=O)N1CCSCC1 CSC011323053 [0,1,0,1,0,0|2,0,0]=4 137 B11R1.16 NCCC(=O)N1CCNCC1 CSC000746679 [0,1,0,1,0,0|2,0,0]=4 138 B11R1.16 NCCC(=O)N1CCSCC1 CSC011239631 [0,1,0,1,0,0|2,0,0]=4 139 B11R1.30 CCCC(=O)OC1CCCC1 CSC016221133 [0,1,0,1,0,0|0,0,0]=2 140 B11R1.30 CCNC(=O)NC1CCNC1 CSC000700497 [0,1,0,1,0,0|2,0,0]=4 141 B11R1.30 CCOC(=O)C=C1CCCC1 CSC000054197 [0,1,0,1,0,0|2,0,0]=4 142 B11R1.30 CCOC(=O)CC1CCCO1 CSC011219920 [0,1,0,1,0,0|2,0,0]=4 143 B11R1.30 CCOC(=O)CN1CCCC1 CSC000188105 [0,1,0,1,0,0|2,0,0]=4 144 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,1,0,1,0,0|2,0,0]=4 145 B11R1.30 COCC(=O)NC1CCCC1 CSC000160952 [0,1,0,1,0,0|2,0,0]=4 146 B11R1.81 CCNC1CCC(=O)NC1C CSC015312158 [0,1,0,1,0,0|2,0,0]=4 147 B11R1.189 CCCC1CN(CCO1)CC CSC015951768 [0,1,0,1,0,0|1,0,1]=4 148 B11R1.356 CCCCCNC(=O)C1CC1 CSC000157986 [0,1,0,1,0,0|1,0,0]=3 149 B11R1.356 COCCCNC(=O)C1CC1 CSC000159237 [0,1,0,1,0,0|1,0,0]=3 150 B11R1.334 CCCC(C)NC(=O)C1CC1 CSC000172017 [0,1,0,1,0,0|1,0,0]=3 151 B11R1.334 COCC(C)NC(=O)C1CC1 CSC000161528 [0,1,0,1,0,0|2,0,0]=4 152 B11R1.15 CC1CCN(C1)C(=O)CCN CSC011434084 [0,1,0,1,0,0|2,0,0]=4 153 B11R1.15 CCCC(=O)N1CCC(C1)N CSC011600442 [0,1,0,1,0,0|1,0,0]=3 154 B11R1.15 CCCC(=O)N1CC[C@@H](C1)N CSC012936781 [0,1,0,1,0,0|1,0,0]=3 155 B11R1.15 CCCC(=O)N1CC[C@@H](C1)O CSC012447290 [0,1,0,1,0,0|1,0,0]=3 156 B11R1.15 CCCC(=O)N1CC[C@H](C1)N CSC012926917 [0,1,0,1,0,0|1,0,0]=3 157 B11R1.15 CCCC(=O)N1CC[C@H](C1)O CSC012447084 [0,1,0,1,0,0|1,0,0]=3 158 B11R1.15 CCNC(=O)N1CCC(C1)N CSC000705615 [0,1,0,1,0,0|2,0,0]=4 159 B11R1.15 CCNC(=O)N1CC[C@@H](C1)N CSC012983631 [0,1,0,1,0,0|2,0,0]=4 160 B11R1.15 CCNC(=O)N1CC[C@H](C1)N CSC012983294 [0,1,0,1,0,0|2,0,0]=4 161 B11R1.720 CC(C)CCNC(=O)C1CC1 CSC000159401 [0,1,0,1,0,0|1,0,0]=3 162 B11R1.720 CN(C)CCNC(=O)C1CC1 CSC000159992 [0,1,0,1,0,0|2,0,0]=4 163 B11R1.77 CC(C)NC(=O)C1CCCC1 CSC000157569 [0,1,0,1,0,0|2,0,0]=4 164 B11R1.77 CC(N)CC(=O)N1CCCC1 CSC011356990 [0,1,0,1,0,0|1,0,0]=3 165 B11R1.29 CCCNC(=O)C1CCCC1 CSC000161742 [0,1,0,1,0,0|1,0,0]=3 166 B11R1.29 CCCNC(=O)C1CCCO1 CSC000161660 [0,1,0,1,0,0|2,0,0]=4 167 B11R1.29 CCCNC(=O)[C@@H]1CCCN1 CSC011422784 [0,1,0,1,0,0|2,0,0]=4 168 B11R1.29 CNCCC(=O)N1CCCC1 CSC000232456 [0,1,0,1,0,0|1,0,0]=3 169 B11R1.819 CCOC(=O)C1(CCCC1)O CSC011290502 [0,1,0,1,0,0|2,0,0]=4 170 B11R1.31 CC(CN)C(=O)N1CCCC1 CSC011559380 [0,1,0,1,0,0|2,0,0]=4 171 B11R1.37 CCC1COC(CN1CC)C CSC015273639 [0,1,0,1,0,0|1,0,1]=4 172 B11R1.284 CCCNC(=O)NC1CCC1 CSC011909585 [0,1,0,1,0,0|1,0,0]=3 173 B11R1.33 CCCS(=O)(=O)N1CCCC1 CSC000169547 [0,1,0,1,0,0|2,0,0]=4