0 B7R0.5 CC(C)[C@@H](O)CCN 83602 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.5 CCCC(Br)C(C)Br D81745 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCOC(=O)C(=N)N W18562 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,0,0,0,0,0|1,1,0]=2 5 B6R0.1 CCC[C@@H](Br)CC D78429 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.1 CCNC(=O)CO 79517 [1,0,0,0,0,0|2,0,0]=3 7 B6R0.1 CCO[C@@H](C)CO 91003 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.1 CNC(=O)CCN C75423 [1,0,0,0,0,0|3,0,0]=4 9 B6R0.1 CNC(=O)CCO AC6610 [1,0,0,0,0,0|3,0,0]=4 10 B6R0.1 CNC(=O)CCS A11187 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COC(=O)OCCl R10013 [1,0,0,0,0,0|2,0,0]=3 12 B6R0.3 CC(C)C(=O)CCl D94573 [1,0,0,0,0,0|1,0,0]=2 13 B6R0.3 CC(C)[C@@H](C)CO D93394 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.3 CC[C@H](N)[C@@H](C)O N14663 [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CN(C)C(=O)CN FD21613 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.3 CNC(=O)[C@H](C)N C78177 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 CNC(=O)[C@H](C)N C78349 [1,0,0,0,0,0|2,0,0]=3 18 B6R0.3 CNC(=O)[C@H](C)N FD21069 [1,0,0,0,0,0|2,0,0]=3 19 B6R0.3 COC(=O)N(C)C D93880 [1,0,0,0,0,0|1,0,0]=2 20 B6R0.3 CSC(=S)N(C)C D93298 [1,0,0,0,0,0|1,2,0]=4 21 B6R0.3 O=C(CBr)C(Br)Br F16018 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 CC(C)OCCBr 33996 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 CC(C)OCCN T71353 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 CCOC[C@H](C)N 75202 [1,0,0,0,0,0|1,0,1]=3 25 B8R0.2 COC(=O)C(=O)C(C)C 30685 [0,1,0,0,0,0|2,0,0]=3 26 B8R0.3 CCCC(=O)C(=O)OC T72754 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.3 CCOC(=O)[C@@H](O)CC T72564 [0,1,0,0,0,0|1,0,0]=2 28 B8R0.3 COCC(=O)N(C)OC W16959 [0,1,0,0,0,0|3,0,0]=4 29 B8R0.3 CON(C)C(=O)CCBr W10377 [0,1,0,0,0,0|3,0,0]=4 30 B8R0.8 CCCCC(=O)[C@H](C)N C72970 [0,1,0,0,0,0|2,0,0]=3 31 B8R0.8 CN(C)C(=O)CCCCl S12226 [0,1,0,0,0,0|2,0,0]=3 32 B8R0.14 C\C=N\[S@@](=O)C(C)(C)C C90663 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.23 CC(=O)C(=O)OC(C)C C11673 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.23 CC(C)OC(=O)N(C)C A11034 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.5 C=C1CCCC[C@@H]1O D94315 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.5 CC1NCCOC1C F12405 [0,0,0,1,0,0|2,0,1]=4 37 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10408 [0,0,0,1,0,0|2,0,1]=4 38 B8R1.5 C[C@@H]1CCCC[C@@H]1N Y10409 [0,0,0,1,0,0|2,0,1]=4 39 B8R1.5 C[C@@H]1OCCNC1=O AC4099 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.5 C[C@H]1CCCCC1=O D77719 [0,0,0,1,0,0|1,0,0]=2 41 B8R1.5 C[C@H]1CCCN[C@H]1C P18680 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.5 C[C@H]1CCCOC1=O AB4082 [0,0,0,1,0,0|0,0,0]=1 43 B8R1.5 C[C@H]1COCCC1=O 27832 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.5 C[C@H]1CSCCC1=O 70869 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.5 NN1CCCCC1=O C74639 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 N[C@H]1CCCCC1=O C16242 [0,0,0,1,0,0|2,0,0]=3 47 B8R1.5 N[C@H]1CCCNC1=O 11355 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 N[C@H]1CCCNC1=O 51546 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.5 O=C1CCOC[C@@H]1Br RB3241 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 O=C1NCCC[C@@H]1Br F30215 [0,0,0,1,0,0|2,0,0]=3 51 B8R1.5 O=C1NCCC[C@@H]1O 27231 [0,0,0,1,0,0|2,0,0]=3 52 B8R1.5 O=C1OCCC[C@@H]1O 27422 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.7 CC(C)C1=CC=CO1 81450 [0,0,0,1,0,0|1,0,2]=4 54 B8R1.7 CC(C)C1=NCCO1 T71548 [0,0,0,1,0,0|1,0,0]=2 55 B8R1.7 CC(C)[C@@H]1CCCN1 P15226 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.7 CC(C)[C@@H]1CCCN1 P15234 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.18 CC1=C[C@@H](O)OC1=O C77517 [0,0,0,1,0,0|1,0,2]=4 58 B8R1.18 CC1=C[C@H](Cl)OC1=O F17135 [0,0,0,1,0,0|1,0,2]=4 59 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.18 CN1C[C@@H](N)CC1=O P10878 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,0,0,1,0,0|2,0,1]=4 62 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.19 CC1(C)CCC[C@@H]1O D79630 [0,0,0,1,0,0|1,0,2]=4 64 B8R1.19 CC1(C)CCC[C@@H]1O D79631 [0,0,0,1,0,0|1,0,2]=4 65 B8R1.19 CC1(C)CCNC1=O 79628 [0,0,0,1,0,0|1,0,0]=2 66 B8R1.19 CC1(C)CCNC1=S W12656 [0,0,0,1,0,0|1,1,0]=3 67 B8R1.19 CC1(C)CONC1=O D73557 [0,0,0,1,0,0|2,0,0]=3 68 B8R1.19 CC1(C)OCCC1=O P18857 [0,0,0,1,0,0|2,0,0]=3 69 B8R1.37 CCCC(=O)C1CC1 P18081 [0,0,0,1,0,0|1,0,0]=2 70 B8R1.37 CCOC(=O)[C@@H]1CO1 20558 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.54 C[C@H](Br)C(=O)C1CC1 P15980 [0,0,0,1,0,0|2,0,0]=3 72 B8R0.5 CC(C)OC(=O)\C=C/I F19580 [0,0,0,0,0,1|2,0,1]=4 73 B8R0.5 CCCC(=O)CC(C)=O 79568 [0,0,0,0,0,1|2,0,1]=4 74 B8R0.5 CCC[C@H](C)CC(C)C F17729 [0,0,0,0,0,1|2,0,1]=4 75 B8R0.5 CCOC(=O)CC(=O)[O-] C15698 [0,0,0,0,0,1|2,0,1]=4 76 B8R0.5 CCOC(=O)C[C@H](C)N H10190 [0,0,0,0,0,1|1,0,0]=2 77 B8R0.5 COCC(=O)OC(C)C C11794 [0,0,0,0,0,1|2,0,0]=3 78 B5R0.1 CCC[C@H](C)N P14575 [2,0,0,0,0,0|1,0,1]=4 79 B5R0.1 CCC[C@H](C)N Y10887 [2,0,0,0,0,0|1,0,1]=4 80 B5R0.1 CCOC(N)=S A11227 [2,0,0,0,0,0|1,1,0]=4 81 B5R0.1 COC[C@H](C)Br 78860 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.1 COC[C@H](C)N 25526 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.1 COC[C@H](C)N D95458 [2,0,0,0,0,0|1,0,1]=4 84 B5R0.1 COC[C@H](C)N W17998 [2,0,0,0,0,0|1,0,1]=4 85 B5R0.3 CCC(=O)CN S11993 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.3 CC[PH](=O)CC C77650 [2,0,0,0,0,0|1,0,0]=3 87 B5R0.3 COC(=S)SC Y14680 [2,0,0,0,0,0|1,1,0]=4 88 B5R0.5 CC(=O)[C@H](C)N D76571 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.5 CC(=S)N(C)C 76921 [2,0,0,0,0,0|1,1,0]=4 90 B5R0.5 C[C@H](N)C(N)=O 25148 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.2 CC(C)NC(=O)CBr A12824 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.2 CC(C)NC(=O)CI A11046 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CC(C)OC(=O)CN FD21588 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.2 CC(C)OC(=O)NN A11099 [1,1,0,0,0,0|2,0,0]=4 95 B7R0.2 COC(=O)C[C@H](C)N FD10418 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.2 COC(=O)C[C@H](C)N S11691 [1,1,0,0,0,0|2,0,0]=4 97 B7R0.3 C=C(CCl)OCOC P10081 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CCC(=O)OCCO A11774 [1,1,0,0,0,0|0,0,0]=2 99 B7R0.3 CNCCC(=O)OC AB11809 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 COC(=O)CCCI F19766 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.7 C=C=CC(=O)OCC T71774 [1,1,0,0,0,0|0,0,2]=4 102 B7R0.7 CCNC(=O)CCCl Y14703 [1,1,0,0,0,0|1,0,0]=3 103 B7R0.7 CCNC(=O)CNC A12930 [1,1,0,0,0,0|1,0,0]=3 104 B7R0.7 CCOC(=O)C#CBr C15771 [1,1,0,0,0,0|0,0,2]=4 105 B7R0.7 CCOP(C)OCC 28742 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.7 COCC(=O)COC 36699 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.10 CC[C@H](Br)C(=O)OC D86786 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.10 CC[C@H](O)C(=O)OC 98375 [1,1,0,0,0,0|2,0,0]=4 109 B7R0.11 CCOS(=O)(=O)CC A10945 [1,1,0,0,0,0|1,0,0]=3 110 B7R0.14 CC(C)(C)C(=O)CN F11054 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.14 CC(C)(C)C(=O)CO F50563 [1,1,0,0,0,0|1,0,0]=3 112 B7R0.14 CC(C)(O)C(=O)NN A10178 [1,1,0,0,0,0|2,0,0]=4 113 B7R0.14 CN[S@@](=O)C(C)(C)C D81167 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.15 CC[C@@H](CO)C(C)C C74656 [1,1,0,0,0,0|0,0,2]=4 115 B7R0.15 COC(OC)C(C)C D93459 [1,1,0,0,0,0|0,0,2]=4 116 B7R0.4 CC(C)CCCCBr C74820 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.4 CCCNCC(C)C AC1640 [1,1,0,0,0,0|1,0,1]=4 118 B9R0.4 CC(C)NC(=O)NCCN AR2165 [0,1,0,0,0,1|1,0,0]=3 119 B9R0.6 CCOC(=O)C(=O)C(C)=O C15077 [0,1,0,0,0,1|1,0,1]=4 120 B9R0.6 CCOC(=O)C(=O)[C@H](C)Br C10122 [0,1,0,0,0,1|1,0,0]=3 121 B9R0.23 CC(C)OC(=O)[C@@H](N)CO C13272 [0,1,0,0,0,1|2,0,0]=4 122 B9R0.23 COC(=O)C(=O)CC(C)C 29859 [0,1,0,0,0,1|2,0,0]=4 123 B9R0.34 CCOC(=O)C[C@@H](C)CC D78451 [0,1,0,0,0,1|0,0,0]=2 124 B9R0.34 CCOC(=O)C[C@H](C)NC AC6615 [0,1,0,0,0,1|0,0,0]=2 125 B9R0.34 CCOC(=O)C[C@H](O)CCl 32733 [0,1,0,0,0,1|1,0,0]=3 126 B9R0.34 CCOC(=O)NC(=O)CCl D75421 [0,1,0,0,0,1|1,0,1]=4 127 B9R0.44 CCOC(=O)CC(C)(C)O O11777 [0,1,0,0,0,1|0,0,0]=2 128 B9R0.44 CNNC(=O)OC(C)(C)C FD1328 [0,1,0,0,0,1|2,0,0]=4 129 B9R0.53 CC(C)OC(=O)OC(C)C C76030 [0,1,0,0,0,1|0,0,0]=2 130 B9R0.53 CC(Cl)OC(=O)OC(C)Cl A10514 [0,1,0,0,0,1|1,0,0]=3 131 B9R0.41 CCN(CC)C(=O)[C@H](C)N W10028 [0,2,0,0,0,0|2,0,0]=4 132 B9R0.19 C#CC(C)(C)C(=O)OCC 20997 [0,2,0,0,0,0|0,0,0]=2 133 B9R0.19 CCOC(=O)C(C)(C)NC 78903 [0,2,0,0,0,0|0,0,0]=2 134 B9R0.35 CCCN(N)C(=O)OCC W11062 [0,2,0,0,0,0|2,0,0]=4 135 B9R0.35 CCNC(=O)C(=O)OCC W18547 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.35 CCOC(=O)C(=O)CC#N C75508 [0,2,0,0,0,0|1,0,1]=4 137 B9R0.37 CC=C(C#N)C(=O)OCC D94304 [0,2,0,0,0,0|0,0,2]=4 138 B9R0.37 CCNC(=O)N(CC)CC A10889 [0,2,0,0,0,0|2,0,0]=4 139 B9R0.37 CCOC(=O)C(CO)CO C13497 [0,2,0,0,0,0|0,0,0]=2 140 B9R0.37 CCOC(=O)\C(CCl)=N/O W19300 [0,2,0,0,0,0|1,0,1]=4 141 B9R0.3 CC(C)(C)C(=O)NCCN D86304 [0,2,0,0,0,0|1,0,0]=3 142 B9R0.3 CC(C)(C)C(=O)NCCO W16100 [0,2,0,0,0,0|1,0,0]=3 143 B9R0.3 CC(C)(C)C(=O)SCCO A12087 [0,2,0,0,0,0|0,1,0]=3 144 B9R0.3 CCCCC(=O)C(C)(C)C D92946 [0,2,0,0,0,0|1,0,0]=3 145 B9R0.7 C=C(C)C(=O)OC[C@H](C)O D93082 [0,2,0,0,0,0|0,0,2]=4 146 B9R0.7 CC(C)C(=O)NCC(=O)O F20066 [0,2,0,0,0,0|1,0,1]=4 147 B9R0.47 C=C(C)C(=O)OCCCO A12375 [0,2,0,0,0,0|0,0,2]=4 148 B9R0.47 CCCCCC(=O)N(C)C C16028 [0,2,0,0,0,0|2,0,0]=4 149 B9R0.57 CC(C)C(=O)CC(C)(C)O D93044 [0,2,0,0,0,0|1,0,0]=3 150 B9R0.57 CN(C)C(=O)OC(C)(C)C D87247 [0,2,0,0,0,0|1,0,0]=3 151 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C C11494 [0,2,0,0,0,0|1,0,0]=3 152 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C P17851 [0,2,0,0,0,0|1,0,0]=3 153 B7R1.2 C=C1CCC(=O)O1 T71516 [1,0,0,1,0,0|0,0,2]=4 154 B7R1.2 CN1CCC(=O)C1 64220 [1,0,0,1,0,0|2,0,0]=4 155 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [1,0,0,1,0,0|2,0,0]=4 156 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [1,0,0,1,0,0|0,0,2]=4 157 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [1,0,0,1,0,0|1,0,0]=3 158 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [1,0,0,1,0,0|1,0,0]=3 159 B7R1.2 C[C@H]1CNC(=O)O1 90054 [1,0,0,1,0,0|1,0,0]=3 160 B7R1.2 C[C@H]1COC(=O)N1 O10180 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.2 C[C@H]1COC(=O)N1 W17357 [1,0,0,1,0,0|2,0,0]=4 162 B7R1.2 C[C@H]1COC(=O)O1 D77722 [1,0,0,1,0,0|1,0,0]=3 163 B7R1.2 O=C1CC[C@H](O)C1 P13127 [1,0,0,1,0,0|2,0,0]=4 164 B7R1.3 O=C1CCCCS1 D95162 [1,0,0,1,0,0|0,1,0]=3 165 B7R1.3 O=C1CNCCO1 RB3226 [1,0,0,1,0,0|1,0,0]=3 166 B7R1.3 O=C1CSCCN1 23643 [1,0,0,1,0,0|2,0,0]=4 167 B7R1.4 CC1=CCOC1=O T72100 [1,0,0,1,0,0|0,0,2]=4 168 B7R1.4 CN1CCNC1=O 81682 [1,0,0,1,0,0|2,0,0]=4 169 B7R1.4 NN1CCOC1=O S10190 [1,0,0,1,0,0|2,0,0]=4 170 B7R1.4 N[C@H]1CCNC1=O 51276 [1,0,0,1,0,0|2,0,0]=4 171 B7R1.4 N[C@H]1CCNC1=O 51277 [1,0,0,1,0,0|2,0,0]=4 172 B7R1.4 N[C@H]1CCNC1=O 51278 [1,0,0,1,0,0|2,0,0]=4 173 B7R1.4 N[C@H]1CCNC1=O F14678 [1,0,0,1,0,0|2,0,0]=4 174 B7R1.4 N[C@H]1CCSC1=O O10218 [1,0,0,1,0,0|1,1,0]=4 175 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,0,0,1,0,0|2,0,0]=4 176 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,0,0,1,0,0|1,0,0]=3 177 B7R1.8 CO[C@H]1CCC1=O P17941 [1,0,0,1,0,0|2,0,0]=4 178 B7R1.8 O=C1CC[C@@H]1CO P13853 [1,0,0,1,0,0|2,0,0]=4 179 B7R1.21 CCOC1(O)CC1 O10402 [1,0,0,1,0,0|0,0,2]=4 180 B7R1.22 CNC(=O)C1CC1 F14269 [1,0,0,1,0,0|2,0,0]=4 181 B7R1.22 O=C(CO)C1CC1 E72699 [1,0,0,1,0,0|2,0,0]=4 182 B7R1.17 CC1(C)CC[C@@H]1N AT10475 [1,0,0,1,0,0|1,0,1]=4 183 B7R1.19 CC(C)C1(O)CC1 P17163 [1,0,0,1,0,0|0,0,2]=4 184 B7R1.14 CC1(C)CCCN1 71736 [1,0,0,1,0,0|2,0,0]=4 185 B7R1.14 CC1(C)CCCN1 71895 [1,0,0,1,0,0|2,0,0]=4 186 B7R1.14 CC1(C)CCNC1 28371 [1,0,0,1,0,0|1,0,1]=4 187 B7R1.14 CC1(C)COCN1 FD10630 [1,0,0,1,0,0|1,0,1]=4 188 B7R1.14 C[C@]1(N)CCOC1 38927 [1,0,0,1,0,0|1,0,1]=4 189 B7R1.14 C[C@]1(O)CCOC1 69114 [1,0,0,1,0,0|1,0,1]=4 190 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,0,0,1,0,1|2,0,0]=4 191 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,0,0,1,0,1|2,0,0]=4 192 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,1,0,1|2,0,0]=4 193 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,1,0,1|1,0,0]=3 194 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,0,0,1,0,1|1,0,0]=3 195 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,0,0,1,0,1|2,0,0]=4 196 B9R1.3 CN1CCC[C@H](Br)C1=O AC1744 [0,1,0,1,0,0|2,0,0]=4 197 B9R1.3 CN1CCC[C@H](N)C1=O 20395 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.3 CN1CCC[C@H](N)C1=O 38730 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.37 C[C@H]1C(=O)OC(=O)N1C P14136 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.110 CN(C)C(=O)C1CNC1 39141 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.132 CCN1OC[C@H](N)C1=O W15638 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.5 CN1CCCNCC1=O 37932 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.5 CN1CCCNCC1=O Y10016 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.5 CN1CCNCCC1=O Y10618 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.5 C[C@@H]1NCCCNC1=O F50270 [0,1,0,1,0,0|1,0,0]=3 206 B9R1.5 C[C@@H]1NCCCNC1=O F50344 [0,1,0,1,0,0|1,0,0]=3 207 B9R1.5 C[C@H]1CCNCCC1=O 73013 [0,1,0,1,0,0|1,0,0]=3 208 B9R1.5 N[C@H]1CCCCNC1=O A56020 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.5 O=C1CCNCC[C@@H]1Br 98344 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.5 O=C1CNCCC[C@@H]1F 72994 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.11 CC[C@H](C)C1=NCCS1 W15587 [0,1,0,1,0,0|1,1,0]=4 212 B9R1.15 CC[C@@H]1NCCCC1=O 63470 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.15 CO[C@H]1CCCNC1=O O11031 [0,1,0,1,0,0|1,0,0]=3 214 B9R1.15 CO[C@H]1COCCC1=O 37648 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.69 CC1CCC(C)C(=O)C1 T71472 [0,1,0,1,0,0|1,0,0]=3 216 B9R1.69 CN1C[C@@H](N)CCC1=O 32330 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.69 CN1C[C@@H](N)CCC1=O 37583 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P10820 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17891 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.69 C[C@H]1CN(C)C(=O)CN1 P17892 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.73 CCOC(=N)C1CCC1 C13282 [0,1,0,1,0,0|1,0,0]=3 223 B9R1.6 CC(C)[C@@H]1CNCCO1 36446 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.6 CC(C)[C@@H]1CNCCO1 C72697 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.23 CN1C[C@@H](CI)CC1=O P20724 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.23 CN1C[C@@H](CN)CC1=O P10769 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.23 CN1C[C@H](CO)OC1=O 56525 [0,1,0,1,0,0|1,0,0]=3 228 B9R1.23 CN1C[C@H](CO)OC1=O 56533 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.40 CC1(C)CCCNC1=O P19113 [0,1,0,1,0,0|1,0,0]=3 230 B9R1.40 CC1(C)CCCOC1=O 60202 [0,1,0,1,0,0|0,0,0]=2 231 B9R1.40 CC1(C)COCCC1=O P12769 [0,1,0,1,0,0|1,0,0]=3 232 B9R1.40 O=C1NCCCC1(F)F 50284 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14863 [0,1,0,1,0,0|1,0,0]=3 235 B9R1.112 CN(C)C(=O)NC1CC1 D94426 [0,1,0,1,0,0|2,0,0]=4 236 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,2,0,0|2,0,0]=4 237 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,2,0,0|1,0,0]=3 238 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,2,0,0|1,0,0]=3 239 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,2,0,0|1,0,0]=3 240 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,2,0,0|1,0,0]=3 241 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,2,0,0|1,0,0]=3 242 B9R2.5 O=C1CCCC12CC2 F51719 [0,0,0,2,0,0|1,0,0]=3 243 B9R2.5 O=C1NCCC12CC2 33676 [0,0,0,2,0,0|1,0,0]=3 244 B9R0.48 C=C(C)CCC(=O)OCC A11234 [0,0,0,0,0,2|0,0,2]=4 245 B9R0.48 CC(C)CNC(=O)CCN D86301 [0,0,0,0,0,2|2,0,0]=4 246 B9R0.48 CCOC(=O)CC[C@H](C)Br C77584 [0,0,0,0,0,2|1,0,0]=3 247 B9R0.48 CCOC(=O)OCC(C)C A12452 [0,0,0,0,0,2|0,0,0]=2 248 B9R0.48 CCOC(=O)\C=C\C(C)=O 71109 [0,0,0,0,0,2|1,0,1]=4