0 B7R0.3 C#CCOC(=O)NO AT18211 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 CCONC(=O)CO AT24923 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.3 COC(=O)C#CCN AT20732 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.3 C\C=C(/C)CCCC T72329 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.3 O=C(CO)NCCO D86391 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCC[C@H](N)CF AC5307 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCC[C@H](N)CF AC7092 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CC[C@H](N)CCO AT14304 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CC[C@H](N)CCO AT22343 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.1 CC[C@H](N)CCO AT22346 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 COCC(=O)CBr AT12825 [1,0,0,0,0,0|2,0,0]=3 11 B6R0.1 NCCC(=O)NO AT14832 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.4 CC(=O)CCCN C77428 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.6 COCOCCN AC9200 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.6 NCCOCCS AT12749 [1,0,0,0,0,0|2,0,1]=4 15 B8R0.1 CCCC[C@H](N)CCO AT14318 [0,1,0,0,0,0|2,0,1]=4 16 B8R0.1 CCOC(=O)\C=C\CO AT14907 [0,1,0,0,0,0|2,0,1]=4 17 B8R0.1 N#CCC(=O)OCCN D76753 [0,1,0,0,0,0|1,0,1]=3 18 B8R0.1 N#CCC(=O)OCCN D76754 [0,1,0,0,0,0|1,0,1]=3 19 B8R0.1 NOCC(=O)NCCO AT10370 [0,1,0,0,0,0|3,0,0]=4 20 B8R0.3 COC(=O)[C@@H](C)CCBr AT23330 [0,1,0,0,0,0|3,0,0]=4 21 B8R0.6 CCCCOC(=O)C=O 39366 [0,1,0,0,0,0|1,0,1]=3 22 B8R0.6 COC(=O)C#CCCO AT15754 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.8 CCCCC(=O)C(=O)[O-] D88060 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.9 COC(=O)CC[C@H](C)Br AT23331 [0,1,0,0,0,0|2,0,0]=3 25 B8R0.9 COC(=O)\C=C\C(C)C D77192 [0,1,0,0,0,0|2,0,1]=4 26 B8R0.19 CCC(C)CC(C)CC T71466 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.19 COC(=O)C[C@H](C)CBr AT23326 [0,1,0,0,0,0|3,0,0]=4 28 B8R0.19 COC(=O)C[C@H](C)CBr AT23327 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.1 CO[C@@H]1CNC(=O)C1 AT19116 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.1 N#C[C@@H]1CCC(=O)N1 D72817 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.1 NC[C@@H]1CNC(=O)C1 33527 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.1 NC[C@H]1CNC(=O)O1 P14474 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.1 NC[C@H]1COC(=O)N1 P14076 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.1 O=C1C=C[C@H](CBr)O1 AC6821 [0,0,0,1,0,0|1,0,2]=4 35 B8R1.1 O=C1CC[C@H](CBr)N1 W15281 [0,0,0,1,0,0|2,0,0]=3 36 B8R1.1 O=C1CC[C@H](CCl)C1 AT22684 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.1 O=C1CC[C@H](CI)C1 AT22686 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.1 O=C1C[C@H](CI)CN1 E72920 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.2 CC[C@H]1CCCCN1 I11451 [0,0,0,1,0,0|2,0,1]=4 40 B8R1.3 C=C1CCC(O)CC1 AT15311 [0,0,0,1,0,0|3,0,0]=4 41 B8R1.3 CN1C=CC(=O)CC1 D73438 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.3 C[C@H]1CC[C@H](C)CC1 F10496 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.3 C[C@H]1CO[C@@H](C)CN1 AC8572 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.3 O=C1CC[C@H](O)CO1 AT23772 [0,0,0,1,0,0|1,0,0]=2 45 B8R1.3 O=C1CC[C@H](O)CO1 AT23773 [0,0,0,1,0,0|1,0,0]=2 46 B8R1.5 C[C@@H]1CCCC[C@@H]1N FD10501 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.5 C[C@@H]1OCCN[C@@H]1C 90059 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.5 C[C@@H]1OCCN[C@@H]1C W15992 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.5 N[C@H]1COCCC1=O E73090 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 O=C1NCCC[C@@H]1O AT24626 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 O=C1NCCC[C@@H]1O D77061 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 O=C1NCCOC1=O P10038 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.10 OCCOC1CCC1 92926 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.22 SC1CCCCCC1 D76599 [0,0,0,1,0,0|1,1,1]=4 55 B8R1.38 COC(=O)C1=CCC1 P16819 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.40 COC(=O)C=C1CC1 AT21192 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.40 NCC(=O)NC1CC1 D76973 [0,0,0,1,0,0|2,0,0]=3 58 B8R1.50 C[C@@H]1CNC(=O)[C@H]1N AT23635 [0,0,0,1,0,0|2,0,0]=3 59 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT23609 [0,0,0,1,0,0|3,0,0]=4 60 B8R1.50 N[C@@H]1C(=O)NC[C@@H]1O AT26183 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT23610 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O AT26184 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.50 O=C1OC[C@H](O)[C@@H]1Br AC9565 [0,0,0,1,0,0|2,0,0]=3 64 B5R0.1 C[S@](=O)CCN AT24515 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.2 CCNCCS AT25561 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 CCOCC=O AT18655 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 O=CCCCBr AT24507 [2,0,0,0,0,0|2,0,0]=4 68 B5R0.3 O=C(CO)CBr AC6051 [2,0,0,0,0,0|2,0,0]=4 69 B7R0.7 CCC[C@H](O)COC D77523 [1,1,0,0,0,0|0,0,2]=4 70 B7R0.10 COC(=O)[C@@H](F)CN 94838 [1,1,0,0,0,0|2,0,0]=4 71 B7R0.10 COC(=O)[C@@H](F)CN AT15554 [1,1,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)[C@@H](N)CF AT23056 [1,1,0,0,0,0|2,0,0]=4 73 B7R0.4 CCCCC[13C](=O)O 41454 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.4 C[S@](=O)CCCCN AT23964 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.4 NCCCCC(N)=O D77059 [1,1,0,0,0,0|2,0,0]=4 76 B7R0.4 O=C(O)COCCBr C70239 [1,1,0,0,0,0|2,0,0]=4 77 B7R0.4 O=C(O)COCCF AT25496 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.6 C[C@H](N)CCC(=O)O D75535 [1,1,0,0,0,0|2,0,0]=4 79 B7R0.1 CCCNNCCC D79943 [1,1,0,0,0,0|1,0,1]=4 80 B7R0.1 NCCC\C=C\CO AT22200 [1,1,0,0,0,0|2,0,0]=4 81 B9R0.34 CCOC(=O)C[C@H](C)CI AT23325 [0,2,0,0,0,0|2,0,0]=4 82 B9R0.34 CCOC(=O)C[C@H](N)CF AT24446 [0,2,0,0,0,0|2,0,0]=4 83 B9R0.34 CCOC(=O)C[C@H](O)CO C11381 [0,2,0,0,0,0|2,0,0]=4 84 B9R0.46 C#CCCCCC(=O)OC AT21754 [0,2,0,0,0,0|2,0,0]=4 85 B9R0.46 COC(=O)CCOCCO C70644 [0,2,0,0,0,0|2,0,0]=4 86 B9R0.46 COC(=O)CSCCCO AT19328 [0,2,0,0,0,0|1,1,0]=4 87 B9R0.21 CCC(=O)CCC(F)(F)F E73197 [0,2,0,0,0,0|2,0,0]=4 88 B7R1.1 CC[C@H]1CCCN1 RB4030 [1,0,0,1,0,0|1,0,1]=4 89 B7R1.2 C[C@H]1CC(=O)CN1 AT25616 [1,0,0,1,0,0|1,0,0]=3 90 B7R1.2 C[C@H]1CC(=O)CN1 AT25617 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.2 C[C@H]1CC(=O)CN1 AT25618 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.2 C[C@H]1CC(=O)CN1 C92326 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.2 C[C@H]1CC(=O)CN1 C92327 [1,0,0,1,0,0|1,0,0]=3 94 B7R1.2 N[C@@H]1CNC(=O)C1 D72849 [1,0,0,1,0,0|2,0,0]=4 95 B7R1.3 C=C1CCNCC1 D77655 [1,0,0,1,0,0|2,0,0]=4 96 B7R1.4 C[C@@H]1NCCC1=O AT25613 [1,0,0,1,0,0|1,0,0]=3 97 B7R1.4 C[C@H]1CCNC1=O D72756 [1,0,0,1,0,0|1,0,0]=3 98 B7R1.4 C[C@H]1CONC1=O D73580 [1,0,0,1,0,0|2,0,0]=4 99 B7R1.22 COC(=O)[C@@H]1CN1 63808 [1,0,0,1,0,0|2,0,0]=4 100 B7R1.22 COC(=O)[C@@H]1CN1 63810 [1,0,0,1,0,0|2,0,0]=4 101 B7R1.22 O=CC(=O)C1CC1 D74797 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12316 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.12 C[C@H]1C[C@@H]1C(=O)O AT12373 [1,0,0,1,0,0|2,0,0]=4 104 B7R1.18 CC(=O)C1CNC1 C14559 [1,0,0,1,0,0|2,0,0]=4 105 B7R1.18 NC(=O)N1CCC1 D77052 [1,0,0,1,0,0|2,0,0]=4 106 B7R1.20 NC(=O)CC1CC1 D72924 [1,0,0,1,0,0|2,0,0]=4 107 B7R1.20 O=C(Cl)OC1CC1 C77415 [1,0,0,1,0,0|1,0,0]=3 108 B9R1.2 CCC1COCC(C)N1 F18880 [0,1,0,1,0,0|1,0,1]=4 109 B9R1.2 CC[C@H]1CCNC(=O)C1 AC8855 [0,1,0,1,0,0|1,0,0]=3 110 B9R1.2 CC[C@H]1COC[C@H](C)N1 F19142 [0,1,0,1,0,0|1,0,1]=4 111 B9R1.2 NC[C@H]1CCCC(=O)N1 F20761 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.2 O=C1CCC[C@H](CO)N1 C14538 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.2 O=C1CCC[C@H](CO)N1 P11606 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.2 O=C1CCO[C@@H](CO)C1 C91884 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.2 O=C1COC[C@H](CO)N1 AT10103 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.2 O=C1C[C@@H](CBr)CCN1 AC8741 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.7 CCC[C@@H]1CNC(=O)C1 D75748 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.7 NCC[C@@H]1CNC(=O)C1 AT19064 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.7 NCC[C@H]1CCC(=O)N1 AT10893 [0,1,0,1,0,0|1,0,0]=3 120 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19049 [0,1,0,1,0,0|1,0,0]=3 121 B9R1.7 NCC[C@H]1CCC(=O)N1 AT19053 [0,1,0,1,0,0|1,0,0]=3 122 B9R1.7 O=C1CC[C@H](CCO)N1 AT18821 [0,1,0,1,0,0|1,0,0]=3 123 B9R1.7 O=C1CC[C@H](CCO)N1 AT18837 [0,1,0,1,0,0|1,0,0]=3 124 B9R1.7 O=C1C[C@H](CCO)CN1 AT19057 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.15 CO[C@H]1COCCC1=O D75195 [0,1,0,1,0,0|2,0,0]=4 126 B9R1.15 O=C1CCCC[C@@H]1CO 62260 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.22 CC[C@@H]1NC(=O)CC1=O D72818 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 81440 [0,1,0,1,0,0|1,0,0]=3 129 B9R1.33 CCN[C@H]1CCNC1=O AT19099 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.33 NCC[C@H]1CCNC1=O AT19079 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.33 O=C1NCCN1CCBr AC9134 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.48 C[C@H]1CC(=O)NCCN1 12217 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.48 C[C@H]1CC(=O)NCCN1 92001 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.48 N[C@H]1CCCNC(=O)C1 F19647 [0,1,0,1,0,0|1,0,0]=3 135 B9R1.69 C[C@H]1CN(C)CCC1=O AT24784 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.69 C[C@H]1CN(C)CCC1=O AT24785 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.69 N[C@H]1C[C@@H](O)CNC1=O AT24178 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.69 O=C1C[C@@H](O)[C@@H](O)CN1 81441 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.75 CCNC(=O)NC1CC1 AT23682 [0,1,0,1,0,0|1,0,0]=3 140 B9R1.75 CCOC(=O)C[C@H]1CO1 A11336 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.183 CCOC(=O)C1CC1O 92030 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.3 CN1CCC[C@H](N)C1=O 20396 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.3 CN1CCC[C@H](N)C1=O 20397 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.5 N[C@H]1COCCNC1=O 57966 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.11 O=C(CBr)[C@H]1CCOC1 AT13306 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.37 C[C@H]1CC(=O)C(=O)N1C AT26323 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.82 COC(=O)[C@H]1C[C@@H](Br)C1 P14334 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO AT23910 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO P20219 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23908 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.88 COC(=O)[C@H]1C[C@H]1CO AT23909 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.88 COC(=O)[C@H]1C[C@H]1CO D73972 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.132 CN1C(=O)CC[C@@H]1CN F13760 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.132 CN1C(=O)OC[C@@H]1CO C77407 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.1 CC[C@@H]1C=CC(=O)CC1 AT12677 [0,1,0,1,0,0|1,0,0]=3 156 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21307 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.1 NC[C@H]1CNC(=O)CO1 AT21313 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.79 CNC(=O)NC1CNC1 AT23003 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72443 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N D72717 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N P17882 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N D72718 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.81 COC(=O)[C@H]1CC[C@@H]1N P18452 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.81 COC(=O)[C@H]1CN[C@@H]1C P18147 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.6 C[C@H](N)C1CCCCO1 79890 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.6 C[C@H](N)C1CCCCO1 79892 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.6 C[C@H](N)C1CCCCO1 79893 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26185 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.23 N[C@H]1C[C@H](CO)NC1=O AT26186 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53422 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.35 CC(=O)[C@H]1CCC(=O)C1 F53666 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 D72845 [0,1,0,1,0,0|1,0,0]=3 173 B9R1.35 C[C@@H](F)[C@@H]1COC(=O)N1 AT25014 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19707 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19708 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.35 O=C1CC[C@@H](C(=O)Cl)O1 AT19709 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.35 O=C1CC[C@@H](C(F)F)N1 AT19171 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.40 CC1(C)CCC=CC1=O AC9363 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.106 CN1CCC(=O)C1(C)C E73144 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.110 C[C@H](Br)C(=O)C1CCC1 AT16883 [0,1,0,1,0,0|1,0,0]=3 181 B9R1.110 C[C@H](Br)C(=O)N1CCC1 W16111 [0,1,0,1,0,0|1,0,0]=3 182 B9R2.20 O=C1NC[C@@H]2CC[C@H]12 AT20240 [0,0,0,2,0,0|1,0,0]=3 183 B9R2.20 O=C1OC[C@@H]2CC[C@H]12 E72542 [0,0,0,2,0,0|0,0,0]=2 184 B9R2.33 O=C1CC2CCC2C1 E72896 [0,0,0,2,0,0|1,0,0]=3 185 B9R2.39 O=C1CC2CC1CO2 P13996 [0,0,0,2,0,0|2,0,0]=4 186 B9R2.39 O=C1CC2CCC1N2 F13933 [0,0,0,2,0,0|2,0,0]=4 187 B9R2.39 O=C1CN2CCC1C2 D76671 [0,0,0,2,0,0|2,0,0]=4 188 B9R2.19 O=C1CCC2CC1C2 P12658 [0,0,0,2,0,0|1,0,0]=3 189 B9R2.19 O=C1NCC2CC1N2 P12451 [0,0,0,2,0,0|2,0,0]=4 190 B9R2.21 O=C1CC2CC2CN1 P19558 [0,0,0,2,0,0|1,0,0]=3 191 B9R2.7 O=C1CC2CNCC12 D72828 [0,0,0,2,0,0|2,0,0]=4 192 B9R2.7 O=C1C[C@@H]2COC[C@H]12 AT20274 [0,0,0,2,0,0|2,0,0]=4