0 B7R0.4 C#CCCCC(O)=O AK112298 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CC(O)CNCCO AK142435 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 CC(OCCCCl)=O AK167628 [0,0,0,0,0,0|2,0,0]=2 4 B7R0.4 CCCCCB(O)O AK-46118 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.4 CN(C)CCCC#N AK-59094 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 COCCCC(O)=O AK-76729 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 NC(OCCCC)=O AK116656 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 O=C(N)COCCCl AK113880 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.4 O=C(O)CCCCBr AK113954 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.4 O=C(O)CCCCCl AK139351 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.4 O=C(O)CCCCO AK198817 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.4 O=C(O)\C=C\OCC AK-46090 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.4 CC(CCCCl)=O AK-48368 [1,0,0,0,0,0|1,0,0]=2 14 B6R0.4 CC(OCCBr)=O AK165045 [1,0,0,0,0,0|2,0,0]=3 15 B6R0.4 CCCCB(O)O AK-44016 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.4 CCCCC([O-])=O AK163205 [1,0,0,0,0,0|1,0,0]=2 17 B6R0.4 CN(C)CCCBr AK-35747 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.4 CN(C)CCCCl AK-25287 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 CN(C)CCCCl AK113440 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 CN(CCNC)C AK-64867 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 NC(OCCC)=O AK116320 [1,0,0,0,0,0|2,0,0]=3 22 B6R0.4 O=C(N)NCCO AK121931 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.4 O=C(O)CCC#N AK-47909 [1,0,0,0,0,0|2,0,1]=4 24 B6R0.4 O=C(O)CCCCl AK113749 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.4 O=C(O)CCCN AK-43987 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 O=C(O)CCNC AK155866 [1,0,0,0,0,0|2,0,0]=3 27 B6R0.4 O=C(O)CCOC AK-88477 [1,0,0,0,0,0|2,0,0]=3 28 B6R0.4 OC(=O)CCC#C AK-32594 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.4 OCNCC(=O)[O-] AK-79027 [1,0,0,0,0,0|3,0,0]=4 30 B6R0.6 BrCCCCCBr AK134932 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.6 C(CCO)CCBr AK-72934 [1,0,0,0,0,0|1,0,2]=4 32 B6R0.6 C=CCCCCBr AK-48086 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 CCCNCCO AK-60790 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.6 C\C=C\CCCO AK-46431 [1,0,0,0,0,0|1,0,1]=3 35 B6R0.6 ClCCCCC=O AK110863 [1,0,0,0,0,0|1,0,0]=2 36 B6R0.6 FCCCCCBr AK-48229 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.6 O=CCCCCO AK-40206 [1,0,0,0,0,0|1,0,0]=2 38 B6R0.6 OCCCCNC AK112657 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.5 C=CC[C@@H](N)CC(O)=O AK111359 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.5 CCC[C@H](N)CC(O)=O AK131282 [0,1,0,0,0,0|1,0,0]=2 41 B8R0.5 O=C(OCC)CC(N)=O AK-44357 [0,1,0,0,0,0|2,0,1]=4 42 B8R0.5 O=C([O-])CC(OCC)=O AK-88661 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.6 C(Cl)C(=O)NCCCC AK-59895 [0,1,0,0,0,0|1,0,0]=2 44 B8R0.6 C=CC(CCCCC)=O AK164478 [0,1,0,0,0,0|0,0,1]=2 45 B8R0.6 C=CC(O)CCCCC AK164470 [0,1,0,0,0,0|0,0,3]=4 46 B8R0.6 O=C(OC)CCCCBr AK-88540 [0,1,0,0,0,0|1,0,0]=2 47 B8R0.6 O=C(OC)CCCCN AK112995 [0,1,0,0,0,0|1,0,0]=2 48 B8R0.6 O=C(OC)CCCOC AK151485 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.6 O=C(OC)COCCCl AK-44958 [0,1,0,0,0,0|2,0,0]=3 50 B8R0.6 OC[C@@H](N)CCCCN AK165144 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.7 C#CCCCCC(O)=O AK-40047 [0,1,0,0,0,0|1,0,1]=3 52 B8R0.7 C(=N)(NCCCCN)N AK-49694 [0,1,0,0,0,0|3,0,0]=4 53 B8R0.7 CC(O)CCCCCC AK113715 [0,1,0,0,0,0|0,0,2]=3 54 B8R0.7 C[C@@H](O)CCCCCC AK115983 [0,1,0,0,0,0|0,0,2]=3 55 B8R0.7 NC(NCCCCN)=N AK-81861 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.7 NC(NCCCCN)=N AK608136 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.7 O=C(O)CCCCCBr AK-35122 [0,1,0,0,0,0|1,0,0]=2 58 B8R0.7 O=C(O)CCCCCN AK144762 [0,1,0,0,0,0|1,0,0]=2 59 B8R0.7 O=C(O)CCCCCO AK-41893 [0,1,0,0,0,0|1,0,0]=2 60 B8R0.7 O=C(O)COCCOC AK-33517 [0,1,0,0,0,0|2,0,0]=3 61 B8R0.7 O=C([O-])CCCCCO AK142914 [0,1,0,0,0,0|1,0,0]=2 62 B8R0.7 O=C([O-])CCNCCN AK545212 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.7 OC(=O)CCCCCCl AK-48239 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.8 CC#CC[C@H](N)C(O)=O AK130681 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.8 CCCC[C@@H](N)C(O)=O AK-76426 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.8 CCCC[C@H](N)C(N)=O AK170163 [0,1,0,0,0,0|1,0,0]=2 67 B8R0.8 C[C@H](N)C(CCCC)=O AK-49433 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.8 NC(CCSC)C(O)=O AK-81252 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.8 N[C@@H](CCCC)C(O)=O AK-49687 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.8 N[C@@H](CCCN)C(O)=O AK-46743 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.8 O=C(O)[C@@H](N)CCCN AK-44096 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.8 O=C(O)[C@@H](N)CCSC AK-73057 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.8 O=C(O)[C@@H](N)CC[Se]C AK-81303 [0,1,0,0,0,0|2,0,0]=3 74 B8R0.8 O=C([O-])C(O)CCSC AK109150 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.9 C(C(OC)=O)CC(O)=O AK-47290 [0,1,0,0,0,0|2,0,1]=4 76 B8R0.9 CC\C(C)=C\CC(O)=O AK146168 [0,1,0,0,0,0|1,0,2]=4 77 B8R0.9 O=C(O)CCC(CN)=O AK-30504 [0,1,0,0,0,0|2,0,1]=4 78 B8R0.21 CCCCCS([O-])(=O)=O AK-86036 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.21 CS(=O)(OCCCC)=O AK114028 [0,1,0,0,0,0|2,0,0]=3 80 B8R0.21 OP(CCCCN)(O)=O AK-46310 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,1,0,0,0,0|2,0,1]=4 82 B8R0.28 O=C(O)CCCC(O)=O AK114297 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.28 O=C(O)CCCN(C)C AK-50053 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.1 O=C1OC[C@H](CI)N1 AK131031 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,0,0,1,0,0|2,0,0]=3 90 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,0,0,1,0,0|2,0,0]=3 91 B8R1.4 CC1COCC(C)N1 AK138217 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,1,0,0|2,0,0]=3 93 B8R1.4 C[C@@H]1CN(C)CCN1 AK158560 [0,0,0,1,0,0|3,0,0]=4 94 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 AK143124 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 C[C@@H]1COC[C@@H](C)N1 AK147246 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 C[C@H]1CN(C)CCN1 AK106695 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 C[C@H]1O[C@H](C)CNC1 AK-67874 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.4 NC1CCCC(C1)O AK-36106 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.4 NC1CN(C)CCC1 AK-76844 [0,0,0,1,0,0|2,0,1]=4 102 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.4 N[C@@H]1CN(C)CCC1 AK159101 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.4 N[C@H]1CN(C)CCC1 AK153472 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 N[C@H]1C[C@@H](N)CCC1 AK124383 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,1,0,0|1,0,0]=2 107 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.4 O[C@@H]1CN(C)CCC1 AK159359 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.7 CC(C1SCCN1)=O AK163728 [0,0,0,1,0,0|2,0,0]=3 117 B8R1.7 CN(C)C1CNCC1 AK-64717 [0,0,0,1,0,0|3,0,0]=4 118 B8R1.7 C[C@@H](N)C1CCCC1 AK332865 [0,0,0,1,0,0|1,0,1]=3 119 B8R1.7 N1C[C@H](N(C)C)CC1 AK-45058 [0,0,0,1,0,0|3,0,0]=4 120 B8R1.7 O1CCC[C@@H]1C(=O)O AK-50525 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.7 O1CCC[C@H]1C(=O)O AK-36642 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.7 O=C(C1=CCCC1)O AK-33463 [0,0,0,1,0,0|1,0,2]=4 123 B8R1.7 O=C(C1CC=CC1)O AK-36334 [0,0,0,1,0,0|1,0,2]=4 124 B8R1.7 O=C(C1CCCC1)O AK-39169 [0,0,0,1,0,0|1,0,0]=2 125 B8R1.7 O=C(C1COCC1)O AK-44786 [0,0,0,1,0,0|2,0,0]=3 126 B8R1.7 O=C(C1NCCC1)N AK-65799 [0,0,0,1,0,0|2,0,0]=3 127 B8R1.7 O=C(C1NCOC1)O AK118758 [0,0,0,1,0,0|3,0,0]=4 128 B8R1.7 O=C(C1SCCN1)O AK-50392 [0,0,0,1,0,0|3,0,0]=4 129 B8R1.7 O=C(N)[C@H]1NCCC1 AK-46342 [0,0,0,1,0,0|2,0,0]=3 130 B8R1.7 O=C(O)[C@@H]1NCCC1 AK-46775 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.7 O=C(O)[C@H]1NCCC1 AK-44539 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.7 O=C([C@H]1COCC1)O AK-30108 [0,0,0,1,0,0|2,0,0]=3 133 B8R1.7 O=C([C@H]1NCSC1)O AK-77692 [0,0,0,1,0,0|3,0,0]=4 134 B8R1.7 O=[C@@]([C@@H]1CNCC1)O AK-74153 [0,0,0,1,0,0|2,0,0]=3 135 B8R1.7 OB(C1CCCC1)O AK-61891 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.7 OC(=O)C1CCCN1 AK-54077 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.7 OC(=O)C1CCCO1 AK-60899 [0,0,0,1,0,0|2,0,0]=3 138 B8R1.7 OC(=O)[C@@H]1CCNC1 AK-29667 [0,0,0,1,0,0|2,0,0]=3 139 B8R1.7 OC(=O)[C@H]1CCNC1 AK-73148 [0,0,0,1,0,0|2,0,0]=3 140 B8R1.7 OC(=O)[C@H]1CSCN1 AK-78160 [0,0,0,1,0,0|3,0,0]=4 141 B8R1.22 C=C1OCCCCO1 AK154780 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.22 CC1NCCNCC1 AK-34218 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.22 N1CCCC(CC1)=O AK-26041 [0,0,0,1,0,0|1,0,0]=2 144 B8R1.22 N[C@H]1CNCCCC1 AK-78190 [0,0,0,1,0,0|2,0,1]=4 145 B8R1.22 O=C1C=CCCCC1 AK-88461 [0,0,0,1,0,0|0,0,2]=3 146 B8R1.22 O=C1CNCCCN1 AK-94980 [0,0,0,1,0,0|2,0,0]=3 147 B8R1.22 O=C1NCCNCC1 AK-25582 [0,0,0,1,0,0|2,0,0]=3 148 B8R1.22 O=C1NCCOCC1 AK158455 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.22 O=C1OCCCCC1 AK164169 [0,0,0,1,0,0|1,0,0]=2 150 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,0,0,1,0,0|2,0,0]=3 151 B8R1.34 CC(OC1CNC1)=O AK208566 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.34 CN(C)CC1CNC1 AK131363 [0,0,0,1,0,0|3,0,0]=4 153 B8R1.34 O=C(O)CC1CCC1 AK-76669 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.72 CC1(C)CCNCC1 AK116331 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.72 CC1(CCOCC1)O AK-31507 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.72 C[N+]1(C)CCCCC1 AK163545 [0,0,0,1,0,0|2,0,0]=3 157 B8R1.72 C[Si]1(C)CCNCC1 AK173609 [0,0,0,1,0,0|2,1,0]=4 158 B8R1.72 NC1(C)CCOCC1 AK-31509 [0,0,0,1,0,0|2,0,1]=4 159 B8R1.72 O=S1(CCCCO1)=O AK-49451 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.72 O=S1(CCNCC1)=O AK-26927 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.72 O=S1(CCNCC1)=O AK-34978 [0,0,0,1,0,0|3,0,0]=4 162 B8R1.72 OC1(C)CCCCC1 AK161821 [0,0,0,1,0,0|0,0,2]=3 163 B8R1.72 OC1(C)CCNCC1 AK-79153 [0,0,0,1,0,0|1,0,2]=4 164 B5R0.1 C(C(=O)O)NC AK-47434 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 CNCC(N)=O AK-90265 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 C[C@@H](N)CCC AK608015 [2,0,0,0,0,0|1,0,1]=4 167 B5R0.1 C[C@H](N)CCC AK171191 [2,0,0,0,0,0|1,0,1]=4 168 B5R0.1 NCCC(N)=O AK-26218 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 NCCC(O)=O AK-41261 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 O=C(N)CSC AK-34209 [2,0,0,0,0,0|2,0,0]=4 171 B5R0.2 C(CCN)CN AK-46742 [2,0,0,0,0,0|2,0,0]=4 172 B5R0.2 C=CCCCO AK325629 [2,0,0,0,0,0|1,0,1]=4 173 B5R0.2 ClCCCCBr AK105174 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.2 ICCCCCl AK116716 [2,0,0,0,0,0|2,0,0]=4 175 B5R0.2 ICCCCI AK112667 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.2 NCCCCBr AK-51681 [2,0,0,0,0,0|2,0,0]=4 177 B5R0.2 NOCCCC AK-85835 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.2 OCCCCN AK-58038 [2,0,0,0,0,0|1,0,1]=4 179 B5R0.2 OCCCNC AK112615 [2,0,0,0,0,0|1,0,1]=4 180 B7R0.2 CCC(N)CC(O)=O AK-45971 [1,1,0,0,0,0|1,0,0]=3 181 B7R0.2 CC[C@@H](N)CC(O)=O AK131267 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.2 CC[C@H](N)CC(O)=O AK548217 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.2 N[C@@H](CO)CC(O)=O AK-23884 [1,1,0,0,0,0|2,0,0]=4 184 B7R0.2 O=C(O)C[C@H](N)CO AK-72526 [1,1,0,0,0,0|2,0,0]=4 185 B7R0.3 CCCCC(NN)=O AK114657 [1,1,0,0,0,0|1,0,0]=3 186 B7R0.3 CCCCC(O)CO AK161793 [1,1,0,0,0,0|0,0,2]=4 187 B7R0.3 O=C(OC)CCCBr AK-94853 [1,1,0,0,0,0|1,0,0]=3 188 B7R0.3 O=C(OC)CCNC AK-85857 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.5 CCC[C@H](N)C(O)=O AK-44188 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.5 CCC[C@H](O)C(O)=O AK129361 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.5 COCC(N)C(O)=O AK-87739 [1,1,0,0,0,0|2,0,0]=4 192 B7R0.5 NC(CCO)C(O)=O AK-41514 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.5 N[C@H](C(=O)O)COC AK-51321 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.5 O=C(O)C(N)CCN AK-44002 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.5 O=C(O)C(O)CCN AK-75839 [1,1,0,0,0,0|2,0,0]=4 196 B7R0.5 O=C(O)[C@@H](N)CCN AK-30471 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.5 O=C(O)[C@@H](N)COC AK111305 [1,1,0,0,0,0|2,0,0]=4 198 B7R0.5 O=C(O)[C@@H](O)CCN AK-25383 [1,1,0,0,0,0|2,0,0]=4 199 B7R0.5 O=C(O)[C@H](N)CCO AK-27028 [1,1,0,0,0,0|2,0,0]=4 200 B7R0.5 O=C(O)[C@H](N)COC AK-26369 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.5 O=C(O)[C@H](N)COC AK-77409 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.5 [C@@H](C(=O)O)(CCO)N AK-23908 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.5 [C@H](C(=O)O)(CCC)N AK-41024 [1,1,0,0,0,0|1,0,0]=3 204 B7R0.5 [C@H](N)(CSC)C(O)=O AK-44172 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.6 CC(NNC(C)C)=O AK118752 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.6 C[S+](CCC(O)=O)C AK114711 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.6 O=C(O)CCN(C)C AK-33348 [1,1,0,0,0,0|2,0,0]=4 209 B7R0.8 CCCCS(=O)([O-])=O AK-86030 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.8 CCCC[N+](C)(C)C AK-59431 [1,1,0,0,0,0|2,0,0]=4 211 B7R0.8 CS(=O)(=O)CCCO AK-69410 [1,1,0,0,0,0|2,0,0]=4 212 B7R0.1 BrCCCCCC#N AK-81731 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.1 C(CCCBr)CCBr AK-48407 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.1 C(CCCCC#C)O AK-30082 [1,1,0,0,0,0|0,0,2]=4 215 B7R0.1 C=CCCCCCBr AK-40908 [1,1,0,0,0,0|0,0,1]=3 216 B7R0.1 C=CCCCCNC AK142907 [1,1,0,0,0,0|0,0,1]=3 217 B7R0.1 COCCOCCN AK-67670 [1,1,0,0,0,0|2,0,0]=4 218 B7R0.1 ICCCCCCI AK165087 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.1 NCCCCCCN AK129024 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.1 OCCCCCCBr AK110830 [1,1,0,0,0,0|0,0,2]=4 221 B7R0.1 OCCCCCCCl AK-47999 [1,1,0,0,0,0|0,0,2]=4 222 B7R0.1 OCCCCCCN AK-84482 [1,1,0,0,0,0|0,0,2]=4 223 B7R0.7 C(OC)C(O)COC AK-46679 [1,1,0,0,0,0|2,0,0]=4 224 B7R0.7 NC(COC)COC AK-79017 [1,1,0,0,0,0|2,0,0]=4 225 B9R0.4 O=C(O)C[C@@H](N)CCSC AK486956 [0,2,0,0,0,0|1,0,0]=3 226 B9R0.6 CC(C(C)C(OCC)=O)=O AK-72552 [0,2,0,0,0,0|1,0,1]=4 227 B9R0.34 CCC(CC(OCC)=O)=O AK-49828 [0,2,0,0,0,0|1,0,1]=4 228 B9R0.34 CCCC(CC(OC)=O)=O AK-93760 [0,2,0,0,0,0|0,0,1]=3 229 B9R0.34 O=C(OC)CC(COC)=O AK-76878 [0,2,0,0,0,0|1,0,1]=4 230 B9R0.53 CC(C)CC(N)CC(O)=O AK-34862 [0,2,0,0,0,0|1,0,0]=3 231 B9R0.53 CC(C)CC(O)CC(C)C AK114199 [0,2,0,0,0,0|1,0,1]=4 232 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-44602 [0,2,0,0,0,0|1,0,0]=3 233 B9R0.53 CC(C)C[C@H](N)CC(O)=O AK-89143 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.58 CCCC(C)(O)CC(O)=O AK-68251 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.1 C=C(C)CCCC(OC)=O AK550726 [0,2,0,0,0,0|0,0,1]=3 236 B9R0.1 COC(=O)CCCC(Cl)=O AK-78695 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.1 COC(=O)CCCC(O)=O AK-76606 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.5 C(C(OCC)=O)CCCBr AK-46515 [0,2,0,0,0,0|1,0,0]=3 239 B9R0.5 NCCCCC(=O)OCC AK-41723 [0,2,0,0,0,0|1,0,0]=3 240 B9R0.5 O=C(OCC)COCCCl AK-86508 [0,2,0,0,0,0|2,0,0]=4 241 B9R0.5 O=C(OCCCC)CC#N AK109261 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.8 N[C@@H](CCSC)C(OC)=O AK-46079 [0,2,0,0,0,0|1,0,0]=3 243 B9R0.8 O=C(OC)[C@@H](N)CCCN AK-41688 [0,2,0,0,0,0|1,0,0]=3 244 B9R0.24 COC(=O)CCC(=O)CN AK-79197 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.46 CCC(C)CCCCCO AK-82137 [0,2,0,0,0,0|1,0,1]=4 246 B9R0.46 CCCCCCC(C)CO AK158822 [0,2,0,0,0,0|0,0,2]=4 247 B9R0.46 O=C(OC)CCCCCBr AK113951 [0,2,0,0,0,0|0,0,0]=2 248 B9R0.46 O=C(OC)CCCCCN AK-47079 [0,2,0,0,0,0|0,0,0]=2 249 B9R0.47 C(C(=C)C)(=O)NCCCN AK-39332 [0,2,0,0,0,0|2,0,0]=4 250 B9R0.47 C(CC(N)C(O)=O)CCN AK-73020 [0,2,0,0,0,0|1,0,0]=3 251 B9R0.47 CCCCCC(N)C(O)=O AK-87757 [0,2,0,0,0,0|1,0,0]=3 252 B9R0.47 CCCCC[C@@H](N)C(O)=O AK106125 [0,2,0,0,0,0|1,0,0]=3 253 B9R0.47 CCCCC[C@H](N)C(O)=O AK106126 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.47 C[C@H](N)C(OCCCC)=O AK-76562 [0,2,0,0,0,0|1,0,0]=3 255 B9R0.47 NC(CCCCN)C(O)=O AK-81251 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.47 N[C@@H](CCCCN)C(N)=O AK327278 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.47 N[C@H](CCCCN)C(O)=O AK-23885 [0,2,0,0,0,0|1,0,0]=3 258 B9R0.47 O=C(O)[C@@H](N)CCCCN AK-46553 [0,2,0,0,0,0|1,0,0]=3 259 B9R0.47 O=C(O)[C@@H](N)CCCCN AK101731 [0,2,0,0,0,0|1,0,0]=3 260 B9R0.2 C=CCCCCCC(O)=O AK164507 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.2 O=C(O)CCCCCCN AK-47536 [0,2,0,0,0,0|1,0,0]=3 262 B9R0.2 OC(=O)CCCCCCBr AK-28585 [0,2,0,0,0,0|1,0,0]=3 263 B9R0.2 OCCCCCCC(O)=O AK-29232 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.38 CCCCCCS(=O)([O-])=O AK-86034 [0,2,0,0,0,0|2,0,0]=4 265 B9R0.48 CC(CCC(OCC)=O)=O AK109266 [0,2,0,0,0,0|0,0,1]=3 266 B9R0.48 O=C(O)CCC(OCC)=O AK130461 [0,2,0,0,0,0|1,0,1]=4 267 B9R0.55 CC(=O)CCCCC(O)=O AK-48369 [0,2,0,0,0,0|0,0,1]=3 268 B9R0.7 O=C(O)[C@@H](N)CCS(C)=O AK-78295 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.7 [C@H](N)(CCC(C)C)C(O)=O AK-34655 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.13 CCCCC(CC)C([O-])=O AK159156 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.56 CC(=O)SCC[N+](C)(C)C AK-47972 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.56 C[N+](C)(C)CCOC(C)=O AK307467 [0,2,0,0,0,0|2,0,0]=4 273 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [1,0,0,1,0,0|2,0,0]=4 274 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.2 O=C1NCC(O)C1 AK-64271 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.2 O=C1OC(C)CC1 AK117314 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [1,0,0,1,0,0|2,0,0]=4 280 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [1,0,0,1,0,0|2,0,0]=4 281 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 BrC1CCCCC1 AK-77686 [1,0,0,1,0,0|1,0,1]=4 284 B7R1.3 C1C(=O)CCNC1 AK-46400 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.3 NN1CCCCC1 AK109255 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.3 O=C1CCCCO1 AK101117 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.3 O=C1CCCOC1 AK-32516 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.3 O=C1CCOCC1 AK-25731 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 O=C1CCSCC1 AK-25499 [1,0,0,1,0,0|1,0,0]=3 290 B7R1.3 O=C1CNCCC1 AK-38925 [1,0,0,1,0,0|1,0,0]=3 291 B7R1.3 O=C1CNCCC1 AK-64363 [1,0,0,1,0,0|1,0,0]=3 292 B7R1.3 O=C1COCCN1 AK-37649 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 O=C1CSCCC1 AK112945 [1,0,0,1,0,0|1,0,0]=3 294 B7R1.3 O=C1NCCCN1 AK-40132 [1,0,0,1,0,0|2,0,0]=4 295 B7R1.3 O=C1NCCNC1 AK-26132 [1,0,0,1,0,0|2,0,0]=4 296 B7R1.3 O=C1NCCSC1 AK-94004 [1,0,0,1,0,0|2,0,0]=4 297 B7R1.3 O=C1OCCOC1 AK117129 [1,0,0,1,0,0|2,0,0]=4 298 B7R1.10 N#CC1CC(C1)=O AK-33992 [1,0,0,1,0,0|1,0,1]=4 299 B7R1.10 O=C1CC(CBr)C1 AK135042 [1,0,0,1,0,0|1,0,0]=3 300 B7R1.12 O=C(C1C(F)C1)O AK-73995 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.12 O=C([C@H]1[C@@H](F)C1)O AK161119 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.12 O=C([C@H]1[C@H](F)C1)O AK161248 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.18 C(=O)(C1OCC1)O AK-38212 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.18 C1(CCC1)C(C)O AK-39885 [1,0,0,1,0,0|0,0,2]=4 305 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [1,0,0,1,0,0|2,0,0]=4 306 B7R1.18 O=C(C1CCC1)N AK117552 [1,0,0,1,0,0|1,0,0]=3 307 B7R1.18 O=C(C1CNC1)O AK-21934 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [1,0,0,1,0,0|2,0,0]=4 309 B7R1.18 OC(=O)C1CCN1 AK-27256 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.1 BrCC1CCCC1 AK-88361 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.1 BrCC1CCOC1 AK-51697 [1,0,0,1,0,0|2,0,0]=4 312 B7R1.1 C(C1CCCC1)O AK-46653 [1,0,0,1,0,0|0,0,2]=4 313 B7R1.1 CC[C@H]1NCCC1 AK131266 [1,0,0,1,0,0|1,0,1]=4 314 B7R1.1 CNC1COCC1 AK-48592 [1,0,0,1,0,0|2,0,0]=4 315 B7R1.1 COC1CNCC1 AK-33180 [1,0,0,1,0,0|2,0,0]=4 316 B7R1.1 CO[C@@H]1CNCC1 AK-36107 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.1 CO[C@H]1CNCC1 AK-35279 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.1 NCC1CCCC1 AK-27938 [1,0,0,1,0,0|1,0,1]=4 319 B7R1.1 NCC1CCOC1 AK-33831 [1,0,0,1,0,0|2,0,0]=4 320 B7R1.1 NCC1COCC1 AK-50648 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.1 NNC1CCCC1 AK-44319 [1,0,0,1,0,0|2,0,0]=4 322 B7R1.1 OCC1CC=CC1 AK-48070 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.1 OCC1CNCC1 AK-26048 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.1 OCC1CNCC1 AK-38963 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.1 OCC1CNCC1 AK105115 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.1 OCC1COCC1 AK-51698 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.1 OC[C@@H]1CNCC1 AK-81401 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.1 OC[C@H]1CNCC1 AK-32836 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.1 OC[C@H]1CNCC1 AK108367 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.1 OC[C@H]1COCC1 AK129134 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 CC1CSCC1=O AK104742 [1,0,0,1,0,0|1,0,0]=3 332 B7R1.4 NN1CCCC1=O AK-78653 [1,0,0,1,0,0|2,0,0]=4 333 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,0,0,1,0,0|2,0,0]=4 334 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,0,0,1,0,0|2,0,0]=4 335 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,0,0,1,0,0|2,0,0]=4 336 B7R1.4 O=C1C(N)CCS1 AK117085 [1,0,0,1,0,0|2,0,0]=4 337 B7R1.4 O=C1NCCN1C AK-78526 [1,0,0,1,0,0|2,0,0]=4 338 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,0,0,1,0,0|2,0,0]=4 339 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,0,0,1,0,0|2,0,0]=4 340 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,0,0,1,0,0|2,0,0]=4 341 B7R1.4 O=C1OCCC1N AK543042 [1,0,0,1,0,0|2,0,0]=4 342 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,0,0,1,0,0|2,0,0]=4 343 B7R1.4 OC1CCNC1=O AK-39164 [1,0,0,1,0,0|2,0,0]=4 344 B7R1.4 S=C1N(C)CCC1 AK308101 [1,0,0,1,0,0|1,1,0]=4 345 B7R1.6 CCOC1CNC1 AK-71516 [1,0,0,1,0,0|2,0,0]=4 346 B7R1.6 CCOC1CNC1 AK-92383 [1,0,0,1,0,0|2,0,0]=4 347 B7R1.6 COCC1CNC1 AK-40838 [1,0,0,1,0,0|2,0,0]=4 348 B7R1.24 C1CNCCNC1 AK-29321 [1,0,0,1,0,0|2,0,0]=4 349 B7R1.24 O1CCNCCC1 AK-81388 [1,0,0,1,0,0|2,0,0]=4 350 B9R1.7 O=C1OC[C@H](CCC)C1 AK543520 [0,1,0,1,0,0|0,0,0]=2 351 B9R1.13 CC(N[C@@H]1CNCC1)=O AK-87500 [0,1,0,1,0,0|1,0,0]=3 352 B9R1.13 CC(N[C@H]1CNCC1)=O AK-57730 [0,1,0,1,0,0|1,0,0]=3 353 B9R1.13 O1CCC(C1)CC(=O)O AK-37736 [0,1,0,1,0,0|1,0,0]=3 354 B9R1.13 O=C(O)CC1CCCC1 AK-44360 [0,1,0,1,0,0|1,0,0]=3 355 B9R1.13 O=C(O)C[C@@H]1NCCC1 AK-80502 [0,1,0,1,0,0|1,0,0]=3 356 B9R1.13 O=C(O)C[C@H]1NCCC1 AK-80500 [0,1,0,1,0,0|1,0,0]=3 357 B9R1.13 OC(=O)CN1CCCC1 AK109942 [0,1,0,1,0,0|1,0,0]=3 358 B9R1.13 [C@@H]1(CC(O)=O)CCCN1 AK-68480 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,1,0,1,0,0|2,0,0]=4 360 B9R1.34 CC1CC(C)CC(O)C1 AK103636 [0,1,0,1,0,0|0,0,2]=4 361 B9R1.41 CN1CCC[C@H]1C(=O)O AK-46644 [0,1,0,1,0,0|1,0,0]=3 362 B9R1.41 O=C(C1N(C)CCC1)O AK125185 [0,1,0,1,0,0|1,0,0]=3 363 B9R1.41 O=C(C1N(C)CCC1)O AK543096 [0,1,0,1,0,0|1,0,0]=3 364 B9R1.41 O=C([C@@H]1N(C)CCC1)O AK165548 [0,1,0,1,0,0|1,0,0]=3 365 B9R1.41 O=C([C@@H]1[C@@H](N)CCC1)O AK129335 [0,1,0,1,0,0|1,0,0]=3 366 B9R1.41 O=C([C@H]1N(C)CCC1)O AK-50484 [0,1,0,1,0,0|1,0,0]=3 367 B9R1.41 O=C([C@H]1NCC[C@H]1O)O AK135074 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,1,0,1,0,0|0,0,1]=3 369 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.48 O=C1NCCCC(N)C1 AK132100 [0,1,0,1,0,0|1,0,0]=3 371 B9R1.53 CC(OC1CC(C1)=O)=O AK118872 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.66 O=C1CC(C)(C)CCC1 AK-77355 [0,1,0,1,0,0|0,0,0]=2 373 B9R1.66 O=C1CC(C)(C)NCC1 AK158739 [0,1,0,1,0,0|1,0,0]=3 374 B9R1.66 O=C1CC(C)(C)OCC1 AK-25320 [0,1,0,1,0,0|1,0,0]=3 375 B9R1.137 CC(CC(C1CC1)=O)=O AK-84405 [0,1,0,1,0,0|0,0,1]=3 376 B9R1.1 C1(CCC(=O)CC1)CC AK-47285 [0,1,0,1,0,0|0,0,0]=2 377 B9R1.1 N#CC1CCC(CC1)=O AK-46872 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.1 O=C1CCC(CO)CC1 AK114473 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.1 O=C1CCC(NC)CC1 AK-43402 [0,1,0,1,0,0|1,0,0]=3 380 B9R1.1 O=C1CCC(OC)CC1 AK-58310 [0,1,0,1,0,0|1,0,0]=3 381 B9R1.1 O=C1NCC(CO)CC1 AK-88773 [0,1,0,1,0,0|1,0,0]=3 382 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,1,0,0|1,0,1]=4 383 B9R1.2 C(C1CN(CCC1)C)O AK-29511 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.2 O=C1NC(CO)COC1 AK130955 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.2 O=C1NCCC(CO)C1 AK170344 [0,1,0,1,0,0|1,0,0]=3 386 B9R1.2 O=C1NCCN(CC)C1 AK480961 [0,1,0,1,0,0|1,0,0]=3 387 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,1,0,1,0,0|1,0,1]=4 388 B9R1.3 O=C1N(C)CCCN1C AK-36216 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.3 O=C1N(C)CCC[C@@H]1N AK101587 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.5 CN1CCNCCC1=O AK-63341 [0,1,0,1,0,0|1,0,0]=3 391 B9R1.5 CN1CCNCCC1=O AK-77181 [0,1,0,1,0,0|1,0,0]=3 392 B9R1.5 O=C1N(C)CCCCC1 AK-93035 [0,1,0,1,0,0|0,0,0]=2 393 B9R1.5 O=C1N(C)CCCNC1 AK-81379 [0,1,0,1,0,0|1,0,0]=3 394 B9R1.5 O=C1NCCCCC1N AK-77858 [0,1,0,1,0,0|1,0,0]=3 395 B9R1.5 O=C1NCCCC[C@@H]1N AK-86770 [0,1,0,1,0,0|1,0,0]=3 396 B9R1.5 O=C1NCCCC[C@H]1N AK-34544 [0,1,0,1,0,0|1,0,0]=3 397 B9R1.5 O=C1NCCCC[C@H]1N AK-95591 [0,1,0,1,0,0|1,0,0]=3 398 B9R1.11 COC(=O)[C@H]1CCCN1 AK-81261 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.11 O=C(C1=CCCC1)OC AK-39180 [0,1,0,1,0,0|0,0,2]=4 400 B9R1.11 O=C(C1CNCC1)OC AK-72873 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.11 O=C(C1COCC1)NN AK114109 [0,1,0,1,0,0|2,0,0]=4 402 B9R1.11 O=C(C1COCC1)OC AK137950 [0,1,0,1,0,0|1,0,0]=3 403 B9R1.11 O=C(C1NCCC1)OC AK-81380 [0,1,0,1,0,0|1,0,0]=3 404 B9R1.11 O=C(OC)[C@H]1NCCC1 AK-46611 [0,1,0,1,0,0|1,0,0]=3 405 B9R1.11 O=C([C@@H]1CNCC1)OC AK-65093 [0,1,0,1,0,0|1,0,0]=3 406 B9R1.11 O=C([C@H]1CNCC1)OC AK-77335 [0,1,0,1,0,0|1,0,0]=3 407 B9R1.11 OC[C@@H](N)C1CCCC1 AK677837 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.49 CN1CCCC(CC1)O AK-39765 [0,1,0,1,0,0|2,0,0]=4 409 B9R1.49 O=C1NCC(N)CCC1 AK129608 [0,1,0,1,0,0|1,0,0]=3 410 B9R1.49 O=C1NCCN(C)CC1 AK-30047 [0,1,0,1,0,0|2,0,0]=4 411 B9R1.50 O=C1CCCCCCC1 AK-96432 [0,1,0,1,0,0|0,0,0]=2 412 B9R1.50 O=C1NCCCCCC1 AK-84407 [0,1,0,1,0,0|0,0,0]=2 413 B9R1.89 NCC1CCCCCC1 AK110620 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.118 OCC1(F)CCCCC1 AK-32002 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.132 O=C1N(C)CCC1CO AK130651 [0,1,0,1,0,0|2,0,0]=4 416 B9R1.6 CC(=O)N1CCOCC1 AK-59803 [0,1,0,1,0,0|1,0,0]=3 417 B9R1.6 CC(C1CCCCC1)=O AK110444 [0,1,0,1,0,0|0,0,0]=2 418 B9R1.6 CC(C1CCNCC1)=O AK-76366 [0,1,0,1,0,0|0,0,0]=2 419 B9R1.6 CC(C1CCOCC1)=O AK-58675 [0,1,0,1,0,0|0,0,0]=2 420 B9R1.6 CC(O)C1CCOCC1 AK600722 [0,1,0,1,0,0|0,0,2]=4 421 B9R1.6 CN(C)C1CCNCC1 AK146317 [0,1,0,1,0,0|2,0,0]=4 422 B9R1.6 CN(C1CCNCC1)C AK-35307 [0,1,0,1,0,0|2,0,0]=4 423 B9R1.6 N1CCCC[C@H]1C(=O)O AK-51322 [0,1,0,1,0,0|1,0,0]=3 424 B9R1.6 N1CCNC[C@@H]1C(=O)O AK-46417 [0,1,0,1,0,0|2,0,0]=4 425 B9R1.6 N1CCNC[C@H]1C(=O)O AK-33494 [0,1,0,1,0,0|2,0,0]=4 426 B9R1.6 O1CCC(CC1)C(=O)O AK-23928 [0,1,0,1,0,0|1,0,0]=3 427 B9R1.6 O=C(C1CCCCC1)O AK-73017 [0,1,0,1,0,0|1,0,0]=3 428 B9R1.6 O=C(C1CCNCC1)N AK-25908 [0,1,0,1,0,0|1,0,0]=3 429 B9R1.6 O=C(C1CCNCC1)N AK-65946 [0,1,0,1,0,0|1,0,0]=3 430 B9R1.6 O=C(C1CCNCC1)O AK-47605 [0,1,0,1,0,0|1,0,0]=3 431 B9R1.6 O=C(C1CCOCC1)N AK-90382 [0,1,0,1,0,0|1,0,0]=3 432 B9R1.6 O=C(C1CNCCC1)N AK-44355 [0,1,0,1,0,0|1,0,0]=3 433 B9R1.6 O=C(C1CNCCC1)O AK-35333 [0,1,0,1,0,0|1,0,0]=3 434 B9R1.6 O=C(C1CNCCN1)O AK-44180 [0,1,0,1,0,0|2,0,0]=4 435 B9R1.6 O=C(C1COCCC1)O AK-65298 [0,1,0,1,0,0|1,0,0]=3 436 B9R1.6 O=C(C1NCCCC1)N AK-50709 [0,1,0,1,0,0|1,0,0]=3 437 B9R1.6 O=C(C1NCCCC1)O AK-35539 [0,1,0,1,0,0|1,0,0]=3 438 B9R1.6 O=C(C1NCCCC1)O AK126108 [0,1,0,1,0,0|1,0,0]=3 439 B9R1.6 O=C(C1NCCNC1)O AK-34591 [0,1,0,1,0,0|2,0,0]=4 440 B9R1.6 O=C(C1NCCOC1)O AK-53947 [0,1,0,1,0,0|2,0,0]=4 441 B9R1.6 O=C(C1SCCCN1)O AK164034 [0,1,0,1,0,0|2,0,0]=4 442 B9R1.6 O=C(N1CCNCC1)C AK-44435 [0,1,0,1,0,0|1,0,0]=3 443 B9R1.6 O=C(N1CCNCC1)N AK187919 [0,1,0,1,0,0|2,0,0]=4 444 B9R1.6 O=C([C@@H]1CC=CCC1)O AK130960 [0,1,0,1,0,0|1,0,1]=4 445 B9R1.6 O=C([C@@H]1CNCCC1)O AK-37130 [0,1,0,1,0,0|1,0,0]=3 446 B9R1.6 O=C([C@@H]1CNCCO1)O AK142739 [0,1,0,1,0,0|2,0,0]=4 447 B9R1.6 O=C([C@@H]1NCCCC1)O AK-44408 [0,1,0,1,0,0|1,0,0]=3 448 B9R1.6 O=C([C@@H]1NCCOC1)O AK162039 [0,1,0,1,0,0|2,0,0]=4 449 B9R1.6 O=C([C@@H]1OCCOC1)O AK550289 [0,1,0,1,0,0|2,0,0]=4 450 B9R1.6 O=C([C@H]1CC=CCC1)O AK-77496 [0,1,0,1,0,0|1,0,1]=4 451 B9R1.6 O=C([C@H]1CNCCC1)O AK-36729 [0,1,0,1,0,0|1,0,0]=3 452 B9R1.6 O=C([C@H]1CNCCN1)N AK174403 [0,1,0,1,0,0|2,0,0]=4 453 B9R1.6 O=C([C@H]1CNCCO1)O AK143268 [0,1,0,1,0,0|2,0,0]=4 454 B9R1.6 O=C([C@H]1NCCCC1)O AK-44409 [0,1,0,1,0,0|1,0,0]=3 455 B9R1.6 O=C([C@H]1NCCNC1)N AK174402 [0,1,0,1,0,0|2,0,0]=4 456 B9R1.6 O=C([C@H]1NCCOC1)O AK-32781 [0,1,0,1,0,0|2,0,0]=4 457 B9R1.6 O=C([C@H]1NCCOC1)O AK109013 [0,1,0,1,0,0|2,0,0]=4 458 B9R1.6 O=C([C@H]1OCCOC1)O AK167731 [0,1,0,1,0,0|2,0,0]=4 459 B9R1.6 OC(=O)C1=CCCCC1 AK-48425 [0,1,0,1,0,0|1,0,1]=4 460 B9R1.6 OC(=O)C1CCC=CC1 AK-33140 [0,1,0,1,0,0|1,0,1]=4 461 B9R1.35 CC(N1CC(N)CC1)=O AK148501 [0,1,0,1,0,0|1,0,0]=3 462 B9R1.35 CC(N1CC(O)CC1)=O AK-83647 [0,1,0,1,0,0|1,0,0]=3 463 B9R1.35 CC(N1C[C@H](N)CC1)=O AK144251 [0,1,0,1,0,0|1,0,0]=3 464 B9R1.35 N1(CC(C(=O)O)CC1)C AK-27826 [0,1,0,1,0,0|2,0,0]=4 465 B9R1.35 O=C(C1CC(N)CC1)O AK-95492 [0,1,0,1,0,0|1,0,0]=3 466 B9R1.35 O=C(O)[C@@H]1NC[C@@H](O)C1 AK-40161 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.35 O=C(O)[C@H]1NC[C@H](O)C1 AK-26056 [0,1,0,1,0,0|2,0,0]=4 468 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,1,0,1,0,0|1,0,1]=4 469 B9R1.35 O=C([C@@H]1NC[C@@H](N)C1)O AK-42168 [0,1,0,1,0,0|2,0,0]=4 470 B9R1.35 O=C([C@@H]1NC[C@@H](O)C1)O AK-41934 [0,1,0,1,0,0|2,0,0]=4 471 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.35 O=C([C@H]1C[C@@H](N)CC1)O AK159207 [0,1,0,1,0,0|1,0,0]=3 473 B9R1.35 O=C([C@H]1C[C@H](N)CC1)O AK163486 [0,1,0,1,0,0|1,0,0]=3 474 B9R1.35 O=C([C@H]1NC[C@@H](N)C1)O AK133481 [0,1,0,1,0,0|2,0,0]=4 475 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-38980 [0,1,0,1,0,0|2,0,0]=4 476 B9R1.35 O=C([C@H]1NC[C@@H](O)C1)O AK-75743 [0,1,0,1,0,0|2,0,0]=4 477 B9R1.35 O=C([C@H]1NC[C@H](O)C1)O AK162668 [0,1,0,1,0,0|2,0,0]=4 478 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,1,0,1,0,0|1,0,1]=4 479 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.35 O=C1OC[C@@H](C(C)C)N1 AK-36974 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.35 O=C1OC[C@H](C(C)C)N1 AK-33649 [0,1,0,1,0,0|2,0,0]=4 482 B9R1.35 OC(=O)[C@@H]1C[C@H](F)CN1 AK-30114 [0,1,0,1,0,0|2,0,0]=4 483 B9R1.35 O[C@H]1CN[C@H](C1)C(=O)O AK-39011 [0,1,0,1,0,0|2,0,0]=4 484 B9R1.35 [C@H]1(NC[C@H](O)C1)C(=O)O AK-46403 [0,1,0,1,0,0|2,0,0]=4 485 B9R1.69 CN1CCC(N)CC1=O AK100918 [0,1,0,1,0,0|2,0,0]=4 486 B9R1.110 NC(C1CCC1)C(O)=O AK-88091 [0,1,0,1,0,0|1,0,0]=3 487 B9R1.112 O=C(O)[C@@H](N)CC1CC1 AK-46409 [0,1,0,1,0,0|1,0,0]=3 488 B9R1.112 O=C(O)[C@H](N)CC1CC1 AK-44500 [0,1,0,1,0,0|1,0,0]=3 489 B9R1.163 O=C(C1(CCCC1)N)O AK-29341 [0,1,0,1,0,0|1,0,0]=3 490 B9R1.163 O=C(C1(F)CCCC1)O AK319573 [0,1,0,1,0,0|1,0,0]=3 491 B9R1.163 O=C([C@@]1(C)NCCC1)O AK164729 [0,1,0,1,0,0|2,0,0]=4 492 B9R1.163 O=C([C@]1(C)NCCC1)O AK116999 [0,1,0,1,0,0|2,0,0]=4 493 B9R1.163 OC(=O)C1(O)CCCC1 AK-60583 [0,1,0,1,0,0|1,0,0]=3 494 B9R1.10 CC1(CCC(O)CC1)C AK-32038 [0,1,0,1,0,0|1,0,1]=4 495 B9R1.10 NC1CCS(CC1)(=O)=O AK-79011 [0,1,0,1,0,0|2,0,0]=4 496 B9R1.10 NC1CC[S](CC1)(=O)=O AK-49076 [0,1,0,1,0,0|2,0,0]=4 497 B9R1.10 OC1CCS(=O)(=O)CC1 AK-77776 [0,1,0,1,0,0|2,0,0]=4 498 B9R1.82 O=C(C1CC(C1)=O)OC AK-77056 [0,1,0,1,0,0|1,0,1]=4 499 B9R1.114 ClS(=O)(=O)CC1CCC1 AK109599 [0,1,0,1,0,0|2,0,0]=4 500 B9R2.39 N[C@@H]1[C@@H]2C[C@@H](CC2)C1 AK544021 [0,0,0,2,0,0|1,0,1]=4 501 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,2,0,0|2,0,0]=4 502 B9R2.7 O=C1C2CC=CC2C1 AK-28134 [0,0,0,2,0,0|0,0,2]=4