0 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,0,0,0|4,0,0]=4 2 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,0,0,0|2,0,1]=3 3 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.2 NC1=NC(=O)NN1 AK-89575 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 N[C@@H]1COC(C1)=O AK-41710 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 N[C@H]1COC(C1)=O AK-43928 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 O=C1C=C(NN1)N AK-40891 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.2 O=C1CC(N)=NN1 AK-26757 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,0,0,0|0,0,0]=0 12 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,0,0,0,0,0|3,0,0]=3 14 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,0,0,0|1,0,0]=1 16 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,0,0,0|2,0,0]=2 17 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.2 O=C1NCC(O)C1 AK-64271 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.2 O=C1NC[C@@H](N)C1 AK159176 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 O=C1NC[C@H](O)C1 AK-34216 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,0,0,0|4,0,0]=4 22 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,0,0,0|1,0,1]=2 24 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,0,0,0|1,0,1]=2 25 B7R1.2 O=C1OC[C@@H](C)N1 AK115788 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,0,0,0|2,0,1]=3 28 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,0,0,0|2,0,0]=2 29 B7R1.2 O[C@@H]1CNC(=O)C1 AK-36094 [0,0,0,0,0,0|2,0,2]=4 30 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,0,0,0|3,0,0]=4 31 B6R1.2 NC1=NC=CO1 AK-25998 [1,0,0,0,0,0|2,0,1]=4 32 B6R1.2 NC1=NCCC1 AK-81762 [1,0,0,0,0,0|2,0,1]=4 33 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,0,0,0|2,0,1]=4 34 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,0,0,0|2,0,0]=3 35 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,0,0,0|2,0,0]=3 36 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,0,0,0|2,0,0]=3 37 B6R1.2 O=C1NC=CN1 AK-45238 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 O=C1NNC=C1 AK-58738 [1,0,0,0,0,0|3,0,0]=4 39 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,0,0,0|2,0,0]=3 40 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,0,0,0|2,0,0]=3 41 B6R1.2 O=C1NSC=C1 AK101140 [1,0,0,0,0,0|3,0,0]=4 42 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,0,0,0|2,0,0]=3 43 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,0,0,0|1,0,1]=3 44 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 O=C1SCCN1 AK-89361 [1,0,0,0,0,0|1,1,1]=4 46 B8R1.1 O=C1NC(CO)CC1 AK114000 [0,1,0,0,0,0|1,0,2]=4 47 B8R1.1 O=C1NCC(OC)=C1 AK142161 [0,1,0,0,0,0|2,0,1]=4 48 B8R1.1 O=C1N[C@@H](CBr)CC1 AK-45071 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.1 O=C1N[C@H](CBr)CC1 AK-45147 [0,1,0,0,0,0|2,0,1]=4 50 B8R1.1 O=C1O[C@H](CCl)CN1 AK110469 [0,1,0,0,0,0|2,0,1]=4 51 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,1,0,0,0,0|1,0,2]=4 52 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,0,0,0|1,0,2]=4 53 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,1,0,0,0,0|1,0,2]=4 54 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,0,0,0|2,0,1]=4 55 B8R1.1 OC[C@@H]1CCC(=O)N1 AK-25498 [0,1,0,0,0,0|1,0,2]=4 56 B8R1.1 OC[C@H]1CCC(=O)N1 AK-26242 [0,1,0,0,0,0|1,0,2]=4 57 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,0,0,0|2,0,1]=4 58 B8R1.18 NN1CC(=O)NC1=O AK-81573 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,1,0,0,0,0|0,0,2]=3 60 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,0,0,0|0,0,0]=1 61 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,1,0,0,0,0|3,0,0]=4 62 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,0,0,0|1,0,0]=2 63 B8R1.18 O=C1OC(O)C(C)=C1 AK-59834 [0,1,0,0,0,0|3,0,0]=4 64 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,0,0,0|2,0,0]=3 66 B8R1.50 CN1C(=O)CSC1=O AK-63992 [0,1,0,0,0,0|2,0,0]=3 67 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.51 CC1(C)CCC(=O)N1 AK-90081 [0,1,0,0,0,0|2,0,1]=4 70 B8R1.51 O=C1C[NH2+][Al-](O)(O)O1 AK114163 [0,1,0,0,0,0|2,0,1]=4 71 B8R1.51 O=C1OC(C)(C)CC1 AK-44637 [0,1,0,0,0,0|1,0,1]=3 72 B6R0.1 O=C(OC)OCC AK397345 [0,0,1,0,0,0|2,0,1]=4 73 B6R0.1 O=C(OC)\C=C\I AK-49986 [0,0,1,0,0,0|3,0,0]=4 74 B6R0.1 O=C(OCC)CO AK-98662 [0,0,1,0,0,0|2,0,1]=4 75 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,1,0,0,0|3,0,0]=4 76 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,1,0,0,0|2,0,1]=4 77 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,1,0,0,0|2,0,0]=3 78 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,1,0,0,0|3,0,0]=4 79 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,1,0,0,0|3,0,0]=4 80 B6R0.4 CC(CCCCl)=O AK-48368 [0,0,1,0,0,0|2,0,1]=4 81 B6R0.4 CCCCC([O-])=O AK163205 [0,0,1,0,0,0|1,0,2]=4 82 B6R0.4 O=C(O)CCC#N AK-47909 [0,0,1,0,0,0|1,0,1]=3 83 B6R0.4 O=C(O)CCCCl AK113749 [0,0,1,0,0,0|1,0,1]=3 84 B6R0.4 O=C(O)CCCN AK-43987 [0,0,1,0,0,0|1,0,1]=3 85 B6R0.4 O=C(O)CCNC AK155866 [0,0,1,0,0,0|2,0,0]=3 86 B6R0.4 O=C(O)CCOC AK-88477 [0,0,1,0,0,0|2,0,0]=3 87 B6R0.4 OC(=O)CCC#C AK-32594 [0,0,1,0,0,0|1,0,1]=3 88 B6R1.5 NC1CC(=O)C1 AK-41683 [0,0,0,0,1,0|2,0,1]=4 89 B8R1.3 CN1CCC(=O)CC1 AK-39177 [0,0,0,0,0,1|3,0,0]=4 90 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,0,0,1|1,0,0]=2 91 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,0,0,1|2,0,0]=3 92 B8R1.3 O=C1CCC(N)CC1 AK-46313 [0,0,0,0,0,1|2,0,1]=4 93 B8R1.3 O=C1NCC(N)CC1 AK132996 [0,0,0,0,0,1|2,0,1]=4 94 B8R1.3 O=C1NCC(O)CC1 AK-54796 [0,0,0,0,0,1|1,0,2]=4 95 B8R1.3 O=C1NC[C@@H](N)CC1 AK121888 [0,0,0,0,0,1|2,0,1]=4 96 B8R1.3 O=C1NC[C@@H](O)CC1 AK-76841 [0,0,0,0,0,1|1,0,2]=4 97 B8R1.3 OC1CCC(=O)CC1 AK-46440 [0,0,0,0,0,1|1,0,2]=4 98 B8R1.4 CN1CCOC(=O)C1 AK-33826 [0,0,0,0,0,1|3,0,0]=4 99 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,0,0,0,0,1|1,0,0]=2 100 B8R1.4 NC1CCNC(C1)=O AK-26117 [0,0,0,0,0,1|2,0,1]=4 101 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,0,0,0,0,1|2,0,0]=3 102 B8R1.4 O=C1CC(C)NCC1 AK-45778 [0,0,0,0,0,1|2,0,1]=4 103 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,0,0,0,0,1|1,0,0]=2 104 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,0,0,0,0,1|1,0,0]=2 105 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,0,0,0,0,1|1,0,0]=2 106 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,0,0,0,0,1|0,0,0]=1 107 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,0,0,0,0,1|1,0,0]=2 108 B8R1.4 O=C1NC(C=CN1)=O AK-86824 [0,0,0,0,0,1|1,0,2]=4 109 B8R1.4 O=C1NC(N=CN1)=O AK126672 [0,0,0,0,0,1|2,0,1]=4 110 B8R1.4 O=C1NCCC(O)C1 AK-27778 [0,0,0,0,0,1|1,0,2]=4 111 B8R1.4 O=C1NCCN(C)C1 AK-77137 [0,0,0,0,0,1|3,0,0]=4 112 B8R1.4 O=C1NCC[C@H](O)C1 AK-86160 [0,0,0,0,0,1|1,0,2]=4 113 B8R1.4 O=C1N[C@@H](C)COC1 AK-90067 [0,0,0,0,0,1|2,0,1]=4 114 B8R1.4 O=C1N[C@H](C)COC1 AK-90066 [0,0,0,0,0,1|2,0,1]=4 115 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,0,0,0,0,1|1,0,0]=2 116 B5R0.1 C#CCC(O)=O AK106962 [1,0,1,0,0,0|0,0,2]=4 117 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,1,0,0,0|1,0,1]=4 118 B5R0.1 NCCC(N)=O AK-26218 [1,0,1,0,0,0|2,0,0]=4 119 B5R0.1 NCCC(O)=O AK-41261 [1,0,1,0,0,0|1,0,0]=3 120 B5R0.1 O=P(CCN)O AK477259 [1,0,1,0,0,0|2,0,0]=4 121 B5R0.2 C=CCCCO AK325629 [1,0,1,0,0,0|1,0,1]=4 122 B5R0.3 C=CC(NC)=O AK115593 [1,0,1,0,0,0|2,0,0]=4 123 B5R0.3 CCC(CN)=O AK-38468 [1,0,1,0,0,0|1,0,1]=4 124 B5R0.3 CCC(CO)=O AK149491 [1,0,1,0,0,0|0,0,2]=4 125 B5R0.3 NCC(OC)=O AK-43994 [1,0,1,0,0,0|1,0,1]=4 126 B5R0.3 O=C(OC)CO AK-98661 [1,0,1,0,0,0|1,0,1]=4 127 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,1,0,0,0|2,0,0]=4 128 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,1,0,0,0|2,0,0]=4 129 B7R0.3 COC(=O)CNC=O AK111067 [0,1,1,0,0,0|2,0,0]=4 130 B7R0.5 CC(C)C(OCCl)=O AK163215 [0,1,1,0,0,0|1,0,1]=4 131 B7R0.5 CCOC(=O)C(C)N AK-46063 [0,1,1,0,0,0|1,0,1]=4 132 B7R0.5 CCOC([C@@H](C)O)=O AK-46630 [0,1,1,0,0,0|1,0,1]=4 133 B7R0.5 C[C@H](N)C(OCC)=O AK-49256 [0,1,1,0,0,0|1,0,1]=4 134 B7R0.5 N[C@H](C)C(OCC)=O AK-49997 [0,1,1,0,0,0|1,0,1]=4 135 B7R0.7 C(C)OC(CCI)=O AK-46570 [0,1,1,0,0,0|1,0,1]=4 136 B7R0.7 CCOC(=O)CCBr AK-76993 [0,1,1,0,0,0|1,0,1]=4 137 B7R0.7 CCOC(=O)CCO AK-41251 [0,1,1,0,0,0|1,0,1]=4 138 B7R0.7 O=C(OCC)CCN AK-49791 [0,1,1,0,0,0|1,0,1]=4 139 B7R0.7 O=C(OCC)CNC AK-44190 [0,1,1,0,0,0|1,0,1]=4 140 B7R0.7 O=C(OCC)OCCl AK128867 [0,1,1,0,0,0|1,0,1]=4 141 B7R0.7 O=C(OCC)\C=C\I AK117013 [0,1,1,0,0,0|2,0,0]=4 142 B7R0.4 C#CCCCC(O)=O AK112298 [0,1,1,0,0,0|1,0,1]=4 143 B7R0.4 C(CCC#N)C(O)=O AK-40359 [0,1,1,0,0,0|1,0,1]=4 144 B7R0.4 COCCCC(O)=O AK-76729 [0,1,1,0,0,0|0,0,2]=4 145 B7R0.4 O=C(O)CCCCBr AK113954 [0,1,1,0,0,0|1,0,1]=4 146 B7R0.4 O=C(O)CCCCCl AK139351 [0,1,1,0,0,0|1,0,1]=4 147 B7R0.4 O=C(O)CCCCO AK198817 [0,1,1,0,0,0|0,0,2]=4 148 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,1,1,0,0,0|0,0,0]=2 149 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,1,1,0,0,0|1,0,0]=3 150 B7R0.6 C[S+](CCC(O)=O)C AK114711 [0,1,1,0,0,0|2,0,0]=4 151 B7R0.6 O=C(O)CCN(C)C AK-33348 [0,1,1,0,0,0|2,0,0]=4 152 B7R0.6 O=C(O)CNC(N)=N AK144672 [0,1,1,0,0,0|2,0,0]=4 153 B7R0.6 O=C(O)\C=C/C(N)=O AK169998 [0,1,1,0,0,0|0,0,2]=4 154 B7R0.6 O=C(O)\C=C\C(O)=O AK115563 [0,1,1,0,0,0|0,0,2]=4 155 B7R0.6 O=C([O-])CCC([O-])=O AK397848 [0,1,1,0,0,0|0,0,1]=3 156 B7R1.4 CC1CSCC1=O AK104742 [1,1,0,0,0,0|2,0,0]=4 157 B7R1.4 NC1CONC1=O AK-87856 [1,1,0,0,0,0|2,0,0]=4 158 B7R1.4 NN1CCCC1=O AK-78653 [1,1,0,0,0,0|1,0,1]=4 159 B7R1.4 N[C@@H]1CCOC1=O AK-44454 [1,1,0,0,0,0|0,0,1]=3 160 B7R1.4 N[C@H]1CCOC1=O AK-41531 [1,1,0,0,0,0|0,0,1]=3 161 B7R1.4 O=C1C(CCO1)Br AK-35370 [1,1,0,0,0,0|0,0,1]=3 162 B7R1.4 O=C1C(N)CCS1 AK117085 [1,1,0,0,0,0|0,1,1]=4 163 B7R1.4 O=C1C(O)=CCC1 AK-43709 [1,1,0,0,0,0|1,0,0]=3 164 B7R1.4 O=C1NCC[C@@H]1O AK-39196 [1,1,0,0,0,0|1,0,1]=4 165 B7R1.4 O=C1NCC[C@H]1N AK-43088 [1,1,0,0,0,0|1,0,1]=4 166 B7R1.4 O=C1NCC[C@H]1O AK-39107 [1,1,0,0,0,0|1,0,1]=4 167 B7R1.4 O=C1NOC[C@H]1N AK-26256 [1,1,0,0,0,0|2,0,0]=4 168 B7R1.4 O=C1OCCC1N AK543042 [1,1,0,0,0,0|0,0,1]=3 169 B7R1.4 O=C1OCC[C@@H]1O AK-86194 [1,1,0,0,0,0|0,0,1]=3 170 B7R1.4 OC1CCNC1=O AK-39164 [1,1,0,0,0,0|1,0,1]=4 171 B7R1.14 O=S1(OCCC1)=O AK-54023 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.1 O=CC1CCC(CC1)=O AK-46502 [0,1,0,0,0,1|1,0,1]=4 173 B9R1.10 O=[S]1(CCC(CC1)=O)=O AK-33694 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.3 O=C1CCCC(N1C)=O AK163887 [0,1,0,0,0,1|1,0,0]=3 175 B9R1.21 O=CC1=CC=C(C=O)O1 AK-72875 [0,2,0,0,0,0|0,0,2]=4 176 B9R1.22 O=C1O[C@H](CO)[C@@H](O)C1 AK-98144 [0,2,0,0,0,0|0,0,2]=4 177 B9R1.35 O=C(C1CCC(N1)=O)O AK-41431 [0,2,0,0,0,0|1,0,1]=4 178 B9R1.35 O=C(C1CCC(O1)=O)O AK154758 [0,2,0,0,0,0|0,0,1]=3 179 B9R1.35 O=C([C@@H]1CC(CC1)=O)O AK100868 [0,2,0,0,0,0|1,0,1]=4 180 B9R1.35 O=C([C@@H]1CCC(N1)=O)O AK-61177 [0,2,0,0,0,0|1,0,1]=4 181 B9R1.35 O=C([C@H]1CC(CC1)=O)O AK-99964 [0,2,0,0,0,0|1,0,1]=4 182 B9R1.35 O=C([C@H]1CCC(N1)=O)O AK-46027 [0,2,0,0,0,0|1,0,1]=4 183 B9R1.35 O=C([C@H]1CCC(O1)=O)O AK-39191 [0,2,0,0,0,0|0,0,1]=3 184 B9R1.35 O=C1CC(CC1)C(=O)O AK-31826 [0,2,0,0,0,0|1,0,1]=4 185 B9R1.35 O=C1CN(C(C)=O)CC1 AK159618 [0,2,0,0,0,0|2,0,0]=4 186 B9R1.37 O=C1C(Br)=C(Br)C(O1)=O AK-44603 [0,2,0,0,0,0|0,0,2]=4 187 B9R1.37 O=C1C(C)=C(C)C(O1)=O AK-47494 [0,2,0,0,0,0|0,0,2]=4 188 B9R1.37 O=C1C(Cl)=C(Cl)C(O1)=O AK161992 [0,2,0,0,0,0|0,0,2]=4 189 B9R1.37 O=C1N(C)[C@@H](C)C(O1)=O AK173849 [0,2,0,0,0,0|1,0,0]=3 190 B9R1.38 CC1(C(OC(C1)=O)=O)C AK-46649 [0,2,0,0,0,0|0,0,0]=2 191 B9R1.38 O=C1NC(C(C)(C)N1)=O AK-44101 [0,2,0,0,0,0|2,0,0]=4 192 B9R1.38 O=C1NC(C(O1)(C)C)=O AK130093 [0,2,0,0,0,0|2,0,0]=4 193 B9R1.106 O=C1C(C)(C)C(CC1)=O AK-67640 [0,2,0,0,0,0|1,0,0]=3 194 B7R1.3 O=C1CCCCO1 AK101117 [0,0,1,1,0,0|1,0,1]=4 195 B7R1.18 C(=O)(C1OCC1)O AK-38212 [0,0,1,1,0,0|0,0,2]=4 196 B7R1.18 N1CC[C@@H]1C(=O)O AK-23961 [0,0,1,1,0,0|1,0,1]=4 197 B7R1.18 O=C(C1CNC1)O AK-21934 [0,0,1,1,0,0|2,0,0]=4 198 B7R1.18 O=C([C@@H]1NCC1)O AK118698 [0,0,1,1,0,0|1,0,1]=4 199 B7R1.18 OC(=O)C1CCN1 AK-27256 [0,0,1,1,0,0|1,0,1]=4 200 B9R2.25 O=C1OC(C2CC12)=O AK-38223 [0,0,0,1,0,1|0,0,0]=2 201 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 AK-42226 [0,0,0,1,0,1|1,0,1]=4 202 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,0,1,0,1,0|2,0,0]=4 203 B5R0.5 O=C(O)C(O)=O AK116416 [0,0,1,0,1,0|2,0,0]=4 204 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,0,1,0,1,0|2,0,0]=4 205 B5R1.2 O1CC(C1)=O AK-32211 [1,0,0,0,1,0|1,0,1]=4 206 B5R1.2 O=C1CNC1 AK-59488 [1,0,0,0,1,0|1,0,1]=4 207 B5R1.2 O=C1CSC1 AK-41121 [1,0,0,0,1,0|1,0,1]=4 208 B5R1.2 O=C1NCC1 AK-36897 [1,0,0,0,1,0|1,0,0]=3 209 B9R1.48 C1(CCCCC(C1)=O)=O AK-49302 [0,0,0,0,0,2|1,0,0]=3 210 B9R1.48 O=C1CC(CCCN1)=O AK163792 [0,0,0,0,0,2|1,0,0]=3