0 B7R1.4 CN1C(CCC1)=O ACS015379 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022236 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.4 F[C@@H]1CNC[C@@H]1C ACF022237 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021523 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021524 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.4 F[C@@H]1[C@@H](CCC1)N ACF021525 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021528 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021529 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.4 F[C@H]1[C@@H](CCC1)N ACF021530 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021526 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 F[C@H]1[C@H](CCC1)N ACF021527 [0,0,0,0,0,0|3,0,1]=4 11 B7R1.4 O[C@@H]1C(NCC1)=O ACS024173 [0,0,0,0,0,0|3,0,0]=3 12 B6R1.2 BrC1CCCC1 ACS015617 [1,0,0,0,0,0|2,0,1]=4 13 B6R1.2 BrC1COCC1 ACS019129 [1,0,0,0,0,0|1,0,1]=3 14 B6R1.2 C1(CCCC1)=O ACS012220 [1,0,0,0,0,0|1,0,0]=2 15 B6R1.2 C1COC[C@@H]1O ACS010999 [1,0,0,0,0,0|0,0,2]=3 16 B6R1.2 CC1CCCO1 ACS011384 [1,0,0,0,0,0|0,0,1]=2 17 B6R1.2 CC=1OC=CC1 ACS015370 [1,0,0,0,0,0|0,0,3]=4 18 B6R1.2 F[C@@H]1CNCC1 ACF021035 [1,0,0,0,0,0|2,0,1]=4 19 B6R1.2 F[C@@H]1CNCC1 ACF021036 [1,0,0,0,0,0|2,0,1]=4 20 B6R1.2 F[C@H]1CNCC1 ACF021037 [1,0,0,0,0,0|2,0,1]=4 21 B6R1.2 F[C@H]1CNCC1 ACF021038 [1,0,0,0,0,0|2,0,1]=4 22 B6R1.2 NC1NCCC1 ACS015261 [1,0,0,0,0,0|2,0,1]=4 23 B6R1.2 O1C[C@@H](CC1)N ACS011703 [1,0,0,0,0,0|1,0,1]=3 24 B6R1.2 O1C[C@@H](CC1)N ACS020283 [1,0,0,0,0,0|1,0,1]=3 25 B6R1.2 O1C[C@H](CC1)N ACS011673 [1,0,0,0,0,0|1,0,1]=3 26 B6R1.2 O1NC(C=C1)=O ACS018882 [1,0,0,0,0,0|1,0,2]=4 27 B6R1.2 O[C@@H]1CNCC1 ACS024239 [1,0,0,0,0,0|1,0,2]=4 28 B6R1.2 S1C(NCC1)=O ACS011643 [1,0,0,0,0,0|3,0,0]=4 29 B6R1.2 S1CC(CC1)=O ACS010816 [1,0,0,0,0,0|0,1,0]=2 30 B8R1.50 CN1CCN(C1=O)C ACS011057 [0,1,0,0,0,0|3,0,0]=4 31 B8R1.50 ClN1C(CCC1=O)=O ACS024398 [0,1,0,0,0,0|3,0,0]=4 32 B8R1.50 IN1C(CCC1=O)=O ACS011522 [0,1,0,0,0,0|3,0,0]=4 33 B8R1.50 ON1C(CCC1=O)=O ACS011400 [0,1,0,0,0,0|3,0,0]=4 34 B6R0.1 BrCC(=O)OCC ACS015691 [0,0,1,0,0,0|3,0,0]=4 35 B6R0.1 C(C)OC(CN)=O ACS015702 [0,0,1,0,0,0|3,0,0]=4 36 B6R0.1 ClCC(=O)OCC ACS015694 [0,0,1,0,0,0|3,0,0]=4 37 B6R0.3 C(C(C)C)(=O)OC ACS015723 [0,0,1,0,0,0|2,0,0]=3 38 B6R0.3 C[C@H](C(=O)OC)O ACS010882 [0,0,1,0,0,0|1,0,0]=2 39 B6R0.3 FC(C(=O)OC)F ACF024197 [0,0,1,0,0,0|3,0,0]=4 40 B6R0.3 O=C(C(=O)O)CC ACS023994 [0,0,1,0,0,0|1,0,1]=3 41 B6R0.3 O=C(C(=O)[O-])CC ACS024011 [0,0,1,0,0,0|1,0,2]=4 42 B6R1.4 FC1C(CC1)N ACF023532 [0,0,0,0,1,0|2,0,1]=4 43 B6R1.4 FC1C(CC1)O ACF023529 [0,0,0,0,1,0|1,0,2]=4 44 B6R1.4 FC1C(NC1)C ACF022170 [0,0,0,0,1,0|2,0,1]=4 45 B8R1.4 CC1NCCC(C1)=O ACF023329 [0,0,0,0,0,1|1,0,0]=2 46 B8R1.4 C[C@@H]1NCCC(C1)=O ACF021329 [0,0,0,0,0,1|1,0,0]=2 47 B8R1.4 FC1CC(CCC1)=O ACF021887 [0,0,0,0,0,1|2,0,0]=3 48 B8R1.4 FC1CC(NCC1)C ACF021430 [0,0,0,0,0,1|2,0,1]=4 49 B8R1.4 NC1CC(NCC1)=O ACF020997 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.5 CN1C(=NCCC1)C ACS011606 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.5 CN1C(CNCC1)=O ACS023988 [0,0,0,0,0,1|2,0,0]=3 52 B8R1.5 FC1C(COCC1)N ACF021702 [0,0,0,0,0,1|2,0,1]=4 53 B8R1.5 FC1CNCCC1=O ACF023013 [0,0,0,0,0,1|2,0,0]=3 54 B8R1.5 FC1CNCCC1=O ACF023014 [0,0,0,0,0,1|2,0,0]=3 55 B8R1.5 FC1COCCC1=O ACF022896 [0,0,0,0,0,1|1,0,0]=2 56 B8R1.5 FC1COCCC1O ACF021596 [0,0,0,0,0,1|1,0,2]=4 57 B8R1.5 F[C@@H]1CNCCC1=O ACF021609 [0,0,0,0,0,1|2,0,0]=3 58 B8R1.5 F[C@@H]1COCCC1=O ACF021595 [0,0,0,0,0,1|1,0,0]=2 59 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021588 [0,0,0,0,0,1|2,0,1]=4 60 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021589 [0,0,0,0,0,1|2,0,1]=4 61 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021590 [0,0,0,0,0,1|2,0,1]=4 62 B8R1.5 F[C@@H]1COCC[C@@H]1N ACF021591 [0,0,0,0,0,1|2,0,1]=4 63 B8R1.5 F[C@@H]1COCC[C@H]1N ACF021585 [0,0,0,0,0,1|2,0,1]=4 64 B8R1.5 F[C@@H]1COCC[C@H]1N ACF021586 [0,0,0,0,0,1|2,0,1]=4 65 B8R1.5 F[C@@H]1COCC[C@H]1N ACF023606 [0,0,0,0,0,1|2,0,1]=4 66 B8R1.5 F[C@@H]1COCC[C@H]1O ACF021584 [0,0,0,0,0,1|1,0,2]=4 67 B8R1.5 F[C@H]1CNCCC1=O ACF023403 [0,0,0,0,0,1|2,0,0]=3 68 B8R1.5 F[C@H]1COCCC1=O ACF021594 [0,0,0,0,0,1|1,0,0]=2 69 B8R1.5 F[C@H]1COCC[C@@H]1N ACF021587 [0,0,0,0,0,1|2,0,1]=4 70 B8R1.5 F[C@H]1COCC[C@H]1N ACF021592 [0,0,0,0,0,1|2,0,1]=4 71 B8R1.5 F[C@H]1COCC[C@H]1N ACF021593 [0,0,0,0,0,1|2,0,1]=4 72 B5R0.1 COCC(=O)N ACS015711 [1,0,1,0,0,0|1,0,0]=3 73 B5R0.1 ClCCC(=O)O ACS015651 [1,0,1,0,0,0|2,0,0]=4 74 B5R0.1 OCCC(=O)O ACS011495 [1,0,1,0,0,0|1,0,0]=3 75 B5R0.2 BrCCCOC ACS011423 [1,0,1,0,0,0|1,0,1]=4 76 B5R0.2 C(C=CCO)O ACS015766 [1,0,1,0,0,0|1,0,1]=4 77 B5R0.2 CCCCCC ACS015704 [1,0,1,0,0,0|1,0,1]=4 78 B5R0.2 COCCOC ACS015683 [1,0,1,0,0,0|2,0,0]=4 79 B5R0.3 CNC(CCl)=O ACS012232 [1,0,1,0,0,0|2,0,0]=4 80 B5R0.3 NC(CO)CC ACS011654 [1,0,1,0,0,0|1,0,1]=4 81 B5R0.3 O=C[C@@H](O)CO ACS010919 [1,0,1,0,0,0|2,0,0]=4 82 B5R0.3 O=C[C@@H](O)CO ACS010920 [1,0,1,0,0,0|2,0,0]=4 83 B5R0.3 SCC(=O)OC ACS011380 [1,0,1,0,0,0|1,1,0]=4 84 B5R0.5 C(C(=O)C)(=O)O ACS015732 [1,0,1,0,0,0|1,0,1]=4 85 B5R0.5 C(C(C)C)(=O)Cl ACS013410 [1,0,1,0,0,0|1,0,0]=3 86 B5R0.5 CC(C(=O)O)Cl ACS010833 [1,0,1,0,0,0|2,0,0]=4 87 B5R0.5 C[C@@H](C(=O)O)Br ACS011128 [1,0,1,0,0,0|2,0,0]=4 88 B5R0.5 FC(C(=O)C)F ACF024170 [1,0,1,0,0,0|2,0,0]=4 89 B5R0.5 FC(C(=O)O)C ACF017008 [1,0,1,0,0,0|2,0,0]=4 90 B5R0.5 N[C@H](C)C(=O)O ACS011403 [1,0,1,0,0,0|2,0,0]=4 91 B5R1.1 N1CC=CC1 ACS024124 [2,0,0,0,0,0|1,0,1]=4 92 B5R1.1 N1CCCC1 ACS015392 [2,0,0,0,0,0|1,0,1]=4 93 B7R0.3 COC(CCC=O)=O ACS024542 [0,1,1,0,0,0|1,0,1]=4 94 B7R0.5 C(C(=O)N)(=S)OCC ACS023710 [0,1,1,0,0,0|1,0,1]=4 95 B7R0.5 CC(C(CC#N)=O)C ACS015725 [0,1,1,0,0,0|1,0,1]=4 96 B7R0.5 O[C@@H](C(=O)OCC)C ACS011707 [0,1,1,0,0,0|2,0,0]=4 97 B7R0.7 C(#N)CC(=O)OCC ACS015695 [0,1,1,0,0,0|1,0,1]=4 98 B7R0.7 C(C)OC(CNC)=O ACS011391 [0,1,1,0,0,0|2,0,0]=4 99 B7R0.7 ClCCC(CCCl)=O ACS010355 [0,1,1,0,0,0|1,0,0]=3 100 B7R0.10 COC(C(N)CO)=O ACS011388 [0,1,1,0,0,0|1,0,0]=3 101 B7R0.13 CC(C(=O)Cl)(CC)C ACS012391 [0,1,1,0,0,0|2,0,0]=4 102 B7R0.14 FC(C(=O)OC)(C)C ACF017179 [0,1,1,0,0,0|2,0,0]=4 103 B7R0.14 FC(C(CC)=O)(F)F ACF012290 [0,1,1,0,0,0|2,0,0]=4 104 B7R0.14 NC(C(=O)OC)(C)C ACS011771 [0,1,1,0,0,0|2,0,0]=4 105 B7R0.15 C(C)C(C(=O)[O-])CC ACS012235 [0,1,1,0,0,0|2,0,0]=4 106 B7R0.15 COC(C(=O)C)OC ACS011290 [0,1,1,0,0,0|0,0,0]=2 107 B7R0.15 COC(N(C)C)OC ACS011394 [0,1,1,0,0,0|2,0,0]=4 108 B7R0.16 CN(C(C(C)C)=O)C ACS015751 [0,1,1,0,0,0|2,0,0]=4 109 B7R0.4 BrCCCCC(=O)O ACS015645 [0,1,1,0,0,0|2,0,0]=4 110 B7R0.4 C(C)OC=CC(=O)O ACS011989 [0,1,1,0,0,0|0,0,2]=4 111 B7R1.1 BrCC1CCCC1 ACS010449 [1,1,0,0,0,0|1,0,1]=4 112 B7R1.1 C(C1CCCO1)O ACS011003 [1,1,0,0,0,0|0,0,1]=3 113 B7R1.1 C1(CCCC1)C=O ACS012176 [1,1,0,0,0,0|1,0,1]=4 114 B7R1.1 C1(CCCC1)CO ACS010445 [1,1,0,0,0,0|1,0,1]=4 115 B7R1.1 C1C[C@@H](NC1)CO ACS010976 [1,1,0,0,0,0|1,0,1]=4 116 B7R1.1 COC1NCCC1 ACS015365 [1,1,0,0,0,0|1,0,1]=4 117 B7R1.1 FCC1NCCC1 ACF021659 [1,1,0,0,0,0|1,0,1]=4 118 B7R1.1 FC[C@@H]1NCCC1 ACF021195 [1,1,0,0,0,0|1,0,1]=4 119 B7R1.1 FC[C@@H]1NCCC1 ACF021196 [1,1,0,0,0,0|1,0,1]=4 120 B7R1.1 FC[C@H]1NCCC1 ACF021193 [1,1,0,0,0,0|1,0,1]=4 121 B7R1.1 FC[C@H]1NCCC1 ACF021194 [1,1,0,0,0,0|1,0,1]=4 122 B7R1.2 FC1CC(CC1)=O ACF022433 [1,1,0,0,0,0|1,0,0]=3 123 B7R1.2 N1C(CCC1=O)=O ACS015391 [1,1,0,0,0,0|2,0,0]=4 124 B7R1.8 FC1C(CC1)CN ACF023536 [0,1,0,0,1,0|1,0,1]=4 125 B7R1.8 FC1C(CC1)CN ACF023537 [0,1,0,0,1,0|1,0,1]=4 126 B7R1.8 FC1C(CC1)CO ACF023531 [0,1,0,0,1,0|1,0,1]=4 127 B9R1.34 CC1CC(CC(C1)=O)=O ACS011622 [0,1,0,0,0,1|1,0,1]=4 128 B9R1.66 CC1(OCCC(C1)=O)C ACS023913 [0,1,0,0,0,1|0,0,0]=2 129 B9R1.66 FC1(CC(CCC1)=O)F ACF021886 [0,1,0,0,0,1|2,0,0]=4 130 B9R1.15 COC1C(NCCC1)=O ACS023717 [0,1,0,0,0,1|1,0,0]=3 131 B9R1.40 FC1(CNCCC1=O)F ACF023015 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.40 FC1(CNCCC1=O)F ACF023017 [0,1,0,0,0,1|2,0,0]=4 133 B7R1.3 C1(CCCCO1)=O ACS011950 [0,0,1,1,0,0|2,0,0]=4 134 B7R1.3 C=C1CCNCC1 ACS023714 [0,0,1,1,0,0|2,0,0]=4 135 B7R1.3 C[C@@H]1CNCCO1 ACS011821 [0,0,1,1,0,0|1,0,1]=4 136 B7R1.3 C[C@H]1CNCCO1 ACS011820 [0,0,1,1,0,0|1,0,1]=4 137 B7R1.3 N1CCC(CC1)=O ACS011072 [0,0,1,1,0,0|1,0,0]=3 138 B7R1.3 O1CCC(CC1)N ACS011243 [0,0,1,1,0,0|1,0,1]=4 139 B7R1.3 S1CCC(CC1)=O ACS024121 [0,0,1,1,0,0|0,1,0]=3 140 B7R1.6 N1(CCC1)CCO ACS020758 [0,0,1,1,0,0|2,0,0]=4 141 B7R1.22 BrCC(=O)C1CC1 ACS015800 [0,0,1,1,0,0|2,0,0]=4 142 B7R1.22 C1(CC1)C(=O)OC ACS015615 [0,0,1,1,0,0|2,0,0]=4 143 B7R1.24 C1CNCCOC1 ACS024038 [0,0,1,1,0,0|1,0,1]=4 144 B7R1.24 N1CCOCCC1 ACS023784 [0,0,1,1,0,0|1,0,1]=4 145 B9R2.24 FC1[C@H]2OC[C@@H]1NC2 ACF023441 [0,1,0,1,0,0|1,0,1]=4 146 B5R1.2 C1(CCC1)=O ACS011189 [1,0,0,0,1,0|0,0,0]=2