0 B8R0.8 C=C(C)C(=O)NCCO OR17009 [0,0,0,0,0,0|2,0,2]=4 1 B8R0.8 C=C(C)C(=O)OCCN OR61529 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.8 CN(C)C(=O)\C=C\CBr OR51889 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 CN(C)C(=O)\C=C\CCl OR51888 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.3 CCC=CC(=O)OC OR40582 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.3 CCCCC(C)CC OR9114 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 CCCC[C@@H](N)CO OR316035 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.3 CCCC[C@H](N)CO OR316034 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.3 CC\C(C)=C\CCBr OR3009 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.3 CC\C=C\C(=O)OC OR6667 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.3 CNCCC(=O)NC OR17002 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.3 COC(=O)CCC=O OR313049 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.3 COC(=O)CCCN OR22446 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCCCCC(C)N OR10072 [1,0,0,0,0,0|1,0,1]=3 14 B7R0.5 CC(C)C(=O)CC#N OR61296 [1,0,0,0,0,0|1,0,1]=3 15 B7R0.5 CCOC(=O)C(C)=O OR7781 [1,0,0,0,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)C(C)Br OR2205 [1,0,0,0,0,0|2,0,0]=3 17 B7R0.5 CCOC(=O)[C@H](C)O OR5301 [1,0,0,0,0,0|2,0,0]=3 18 B7R0.5 CN(C)C(=O)CC#N OR24266 [1,0,0,0,0,0|2,0,1]=4 19 B9R0.8 CCCCC(C)C(C)CC OR54624 [0,1,0,0,0,0|1,0,1]=3 20 B9R0.42 COC(=O)CC(=O)C(C)C OR322091 [0,1,0,0,0,0|1,0,1]=3 21 B9R0.47 C=C(C)C(=O)NCCCN OR301178 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.47 CCCCCC(C)C(C)C OR2371 [0,1,0,0,0,0|1,0,1]=3 23 B9R1.5 CN1CCCCCC1=O OR24564 [0,0,0,1,0,0|1,0,0]=2 24 B9R1.5 NC1CCCCNC1=O OR28685 [0,0,0,1,0,0|2,0,0]=3 25 B9R1.5 O=C1CCCCNC1=O OR52235 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 CC(C)C1COCCN1 OR308180 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 CC(C)N1CCNCC1 OR6901 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.6 CC(C)[C@@H]1CNCCO1 OR308188 [0,0,0,1,0,0|1,0,2]=4 29 B9R1.6 CC(C)[C@H]1CNCCN1 OR15977 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.6 CN(C)C1CCCCC1 OR19541 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.23 CN1CC(CO)CC1=O OR42168 [0,0,0,1,0,0|2,0,0]=3 32 B9R1.40 CC1(C)COCCC1N OR52315 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.69 CC1CN(C)CCC1=O OR22874 [0,0,0,1,0,0|1,0,0]=2 34 B9R0.4 CCCCC(C)CC(C)C OR54625 [0,0,0,0,0,1|1,0,1]=3 35 B6R0.1 CCC(=O)CC#N OR61297 [2,0,0,0,0,0|1,0,1]=4 36 B6R0.1 CCNC(=O)CBr OR40485 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 CCOC(=O)CN OR43634 [2,0,0,0,0,0|2,0,0]=4 38 B6R0.1 CCOC(=O)CS OR17516 [2,0,0,0,0,0|2,0,0]=4 39 B6R0.1 CNC(=O)CCN OR16480 [2,0,0,0,0,0|2,0,0]=4 40 B6R0.1 CNC(=O)CCN OR51734 [2,0,0,0,0,0|2,0,0]=4 41 B6R0.1 CNCC(=O)OC OR26803 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 COC(=O)CCS OR28780 [2,0,0,0,0,0|2,0,0]=4 43 B6R0.1 COC(=O)CSC OR9387 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.4 CC(=O)CCCCl OR10086 [2,0,0,0,0,0|1,0,0]=3 45 B6R0.4 CC(=O)NCCCl OR55006 [2,0,0,0,0,0|2,0,0]=4 46 B6R0.4 CC(C)=CCCBr OR3008 [2,0,0,0,0,0|1,0,1]=4 47 B6R0.4 CCCCC(C)=O OR10020 [2,0,0,0,0,0|0,0,0]=2 48 B6R0.4 CCCC[C@H](C)O OR304042 [2,0,0,0,0,0|1,0,0]=3 49 B6R0.4 CCCOC(C)=O OR5312 [2,0,0,0,0,0|1,0,0]=3 50 B6R0.4 CCOCC(=O)O OR6531 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.4 CN(C)CCCCl OR0910 [2,0,0,0,0,0|2,0,0]=4 52 B6R0.4 CN(C)CCCN OR54483 [2,0,0,0,0,0|2,0,0]=4 53 B6R0.4 CNCCC(=O)O OR301194 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.4 CNCCC(N)=O OR17506 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 NCCCC(=O)O OR01972 [2,0,0,0,0,0|2,0,0]=4 56 B6R0.4 O=C(Cl)CCCCl OR5355 [2,0,0,0,0,0|2,0,0]=4 57 B6R0.4 O=C(O)CCCBr OR4284 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.6 CCCCCCCl OR52582 [2,0,0,0,0,0|1,0,1]=4 59 B6R0.6 CCCCCCI OR2177 [2,0,0,0,0,0|1,0,1]=4 60 B6R0.6 CCCCCCN OR5310 [2,0,0,0,0,0|1,0,1]=4 61 B6R0.6 CCCCCCS OR40389 [2,0,0,0,0,0|1,0,1]=4 62 B6R0.6 CCCCCNC OR60037 [2,0,0,0,0,0|1,0,1]=4 63 B6R0.6 CCCNCCC OR19539 [2,0,0,0,0,0|1,0,1]=4 64 B6R0.6 CCOCOCC OR51849 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.3 CC(C)C(=O)CBr OR346253 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.3 CN(C)C(=O)CBr OR55573 [2,0,0,0,0,0|2,0,0]=4 67 B6R0.3 CN(C)C(=O)CN OR12015 [2,0,0,0,0,0|2,0,0]=4 68 B6R0.3 CN(C)C(=O)CN OR952034 [2,0,0,0,0,0|2,0,0]=4 69 B6R0.3 COC(=O)C(C)Cl OR5107 [2,0,0,0,0,0|2,0,0]=4 70 B6R0.3 COC(=O)C(C)N OR5299 [2,0,0,0,0,0|2,0,0]=4 71 B6R0.3 COC(=O)[C@@H](C)N OR22616 [2,0,0,0,0,0|2,0,0]=4 72 B6R0.3 COC(=O)[C@H](C)Cl OR322164 [2,0,0,0,0,0|2,0,0]=4 73 B8R0.1 CCOC(=O)CCCBr OR14983 [1,1,0,0,0,0|1,0,0]=3 74 B8R0.1 CC\C=C\C(=O)OCC OR16435 [1,1,0,0,0,0|0,0,2]=4 75 B8R0.3 COCC(Br)C(=O)OC OR3386 [1,1,0,0,0,0|2,0,0]=4 76 B8R0.6 CCCCCC(=O)CC OR6025 [1,1,0,0,0,0|0,0,0]=2 77 B8R0.6 CCCCOC(=O)CCl OR25298 [1,1,0,0,0,0|1,0,0]=3 78 B8R0.6 CCNCCC(=O)OC OR927277 [1,1,0,0,0,0|1,0,0]=3 79 B8R0.6 COC(=O)CCCCBr OR8928 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.6 COC(=O)CCCCN OR944993 [1,1,0,0,0,0|1,0,0]=3 81 B8R0.6 COCCCC(=O)OC OR30755 [1,1,0,0,0,0|1,0,0]=3 82 B8R0.9 CCC(C)CCC(C)C OR52417 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.11 CCCCC(CC)CBr OR460077 [1,1,0,0,0,0|1,0,1]=4 84 B8R0.19 CCC(=O)CC(=O)OC OR5113 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.19 CCC(=O)OC(=O)CC OR5320 [1,1,0,0,0,0|1,0,1]=4 86 B8R0.7 CCCCCC[C@H](C)O OR304045 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.14 CC(C)(C)C(=O)CC#N OR23696 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.14 CCOC(=O)C(C)(C)O OR46219 [1,1,0,0,0,0|1,0,0]=3 89 B8R0.23 CC(C)OC(=O)[C@@H](C)N OR52564 [1,1,0,0,0,0|2,0,0]=4 90 B8R0.23 CC(C)OC(=O)[C@H](C)N OR61429 [1,1,0,0,0,0|2,0,0]=4 91 B10R0.28 CC(C)(C)OC(=O)CCCBr OR11460 [0,1,0,0,0,1|1,0,0]=3 92 B10R0.28 CC(C)(C)OC(=O)CCCBr OR40573 [0,1,0,0,0,1|1,0,0]=3 93 B10R0.28 CC(C)(C)OC(=O)CCCO OR313037 [0,1,0,0,0,1|1,0,0]=3 94 B10R0.28 CC(C)(C)OC(=O)NCCBr OR46552 [0,1,0,0,0,1|2,0,0]=4 95 B10R0.28 CC(C)(C)OC(=O)NCCCl OR18557 [0,1,0,0,0,1|2,0,0]=4 96 B10R0.28 CC(C)(C)OC(=O)NCCN OR1533 [0,1,0,0,0,1|2,0,0]=4 97 B10R0.28 CC(C)(C)OC(=O)NCCO OR70054 [0,1,0,0,0,1|2,0,0]=4 98 B10R0.52 COC(=O)CC(=O)C(C)(C)C OR28637 [0,2,0,0,0,0|1,0,1]=4 99 B10R0.26 CCOC(=O)CC(=O)C(C)C OR40236 [0,2,0,0,0,0|0,0,1]=3 100 B8R1.1 NCC1CCC(=O)N1 OR953484 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.1 O=C1CC(CO)CN1 OR300508 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 O=C1CC[C@@H](CO)N1 OR350343 [1,0,0,1,0,0|2,0,0]=4 103 B8R1.1 O=C1CC[C@@H](CO)O1 OR42217 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.1 O=C1CC[C@H](CO)N1 OR451180 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.2 CC[C@@H]1CCCCN1 OR321328 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.2 CC[C@H]1CCCCN1 OR321204 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.3 CC1CCC(=O)CC1 OR5041 [1,0,0,1,0,0|0,0,0]=2 108 B8R1.3 CC1CCC(Br)CC1 OR322145 [1,0,0,1,0,0|1,0,1]=4 109 B8R1.3 CN1CCC(=O)CC1 OR0648 [1,0,0,1,0,0|1,0,0]=3 110 B8R1.3 C[C@H]1CC[C@H](N)CC1 OR59320 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.3 NC1CCC(=O)CC1 OR301000 [1,0,0,1,0,0|1,0,0]=3 112 B8R1.3 NC1CCC(=O)CC1 OR51872 [1,0,0,1,0,0|1,0,0]=3 113 B8R1.3 O=C1CCC(=O)CC1 OR5044 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.3 O=C1CCC(O)CC1 OR60149 [1,0,0,1,0,0|1,0,0]=3 115 B8R1.3 O=C1CCC(O)CN1 OR313048 [1,0,0,1,0,0|2,0,0]=4 116 B8R1.5 CC1CCCCC1O OR10028 [1,0,0,1,0,0|0,0,2]=4 117 B8R1.5 CC1CCCNC1=O OR22899 [1,0,0,1,0,0|1,0,0]=3 118 B8R1.5 CN1CCNCC1=O OR301209 [1,0,0,1,0,0|2,0,0]=4 119 B8R1.5 O=C1CCCCC1=O OR0317 [1,0,0,1,0,0|1,0,1]=4 120 B8R1.22 BrC1=CCCCCC1 OR59406 [1,0,0,1,0,0|1,0,1]=4 121 B8R1.22 O=C1CCCCCC1 OR6556 [1,0,0,1,0,0|0,0,0]=2 122 B8R1.22 O=C1CCCCCN1 OR42190 [1,0,0,1,0,0|1,0,0]=3 123 B8R1.22 O=C1CCCNCC1 OR4647 [1,0,0,1,0,0|1,0,0]=3 124 B8R1.22 O=C1CCNCCN1 OR2299 [1,0,0,1,0,0|2,0,0]=4 125 B8R1.22 O=C1CCNCCN1 OR9118 [1,0,0,1,0,0|2,0,0]=4 126 B8R1.22 OC1CCCCCC1 OR10091 [1,0,0,1,0,0|0,0,2]=4 127 B8R1.38 COC(=O)C1CCN1 OR317227 [1,0,0,1,0,0|2,0,0]=4 128 B8R1.38 COC(=O)C1CNC1 OR308020 [1,0,0,1,0,0|2,0,0]=4 129 B8R1.38 O=C(CBr)N1CCC1 OR460014 [1,0,0,1,0,0|2,0,0]=4 130 B8R1.40 O=C(CCl)NC1CC1 OR21284 [1,0,0,1,0,0|2,0,0]=4 131 B8R1.50 CC1C(=O)CCC1=O OR0612 [1,0,0,1,0,0|1,0,1]=4 132 B8R1.50 CC1CCC(=O)C1=O OR28640 [1,0,0,1,0,0|1,0,1]=4 133 B8R1.4 CC1CCCC(C)N1 OR13600 [1,0,0,1,0,0|1,0,1]=4 134 B8R1.4 CC1CNCC(C)C1 OR13613 [1,0,0,1,0,0|1,0,1]=4 135 B8R1.7 CC(C)C1CCCN1 OR12519 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.72 CC1(C)CCNCC1 OR17132 [1,0,0,1,0,0|1,0,1]=4 137 B8R1.37 CCOC(=O)C1CC1 OR5300 [1,0,0,1,0,0|1,0,0]=3 138 B10R1.8 CCC1CC(=O)CC(=O)C1 OR59473 [0,0,0,1,0,1|1,0,1]=4 139 B10R1.8 CCC1CC(=O)CC(=O)C1 OR6970 [0,0,0,1,0,1|1,0,1]=4 140 B10R1.23 CN(C)C(=O)[C@@H]1CCCN1 OR17106 [0,1,0,1,0,0|1,0,0]=3 141 B10R1.13 CC(C)N1CCC(N)CC1 OR4465 [0,1,0,1,0,0|2,0,0]=4 142 B10R1.13 CC(C)N1CCC(N)CC1 OR8738 [0,1,0,1,0,0|2,0,0]=4 143 B10R1.230 CC1(NO)CCCCC1=O OR0512 [0,1,0,1,0,0|1,0,0]=3 144 B10R1.63 CC1(C)CCC(=O)CC1=O OR316025 [0,1,0,1,0,0|0,0,1]=3 145 B10R1.134 COC(=O)CC(=O)C1CC1 OR301123 [0,1,0,1,0,0|1,0,1]=4 146 B10R2.178 [C@H]12CCC(=O)[C@H](OC1)O2 OR46234 [0,0,0,2,0,0|2,0,0]=4