0 B6R0.2 C(C(=O)O)N(C)C AK-41194 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)NC(N)=N AK-47569 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.2 CC(NC(C)C)=O AK-86542 [0,0,0,0,0,0|1,0,2]=3 3 B6R0.2 CC(\C=C(N)\C)=O AK-39642 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 C[C@@H](N)CC(O)=O AK-44656 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.2 C[C@@H](N)CC(O)=O AK112818 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.2 C[C@@H](O)CC(O)=O AK-89074 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 C[C@@H](O)CC([O-])=O AK-51650 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.2 C[C@H](N)CC(O)=O AK-34921 [0,0,0,0,0,0|3,0,1]=4 9 B6R0.2 C[C@H](N)CC(O)=O AK-75919 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.2 C\C(C)=C\C(O)=O AK-65194 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 O=C([O-])C[S+](C)C AK543883 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.2 OC(=O)CC(O)=O AK-98172 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C(C(=O)O)NC AK-47434 [1,0,0,0,0,0|3,0,0]=4 14 B5R0.1 CC#CC(O)=O AK-49957 [1,0,0,0,0,0|2,0,1]=4 15 B5R0.1 CNCC(N)=O AK-90265 [1,0,0,0,0,0|3,0,0]=4 16 B5R0.1 NOCC(C)=C AK550273 [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 O=C(N)CSC AK-34209 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 O=CCN(C)C AK136086 [1,0,0,0,0,0|2,0,1]=4 19 B5R0.1 O=CCN(C)C AK172998 [1,0,0,0,0,0|2,0,1]=4 20 B7R0.2 CN(C)C=C(C)C=O AK-79155 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.2 C[C@@H](N)CC(OC)=O AK175410 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.2 C[C@@H](O)CC(OC)=O AK-54453 [0,1,0,0,0,0|2,0,1]=4 23 B7R0.2 C[C@H](O)CC(OC)=O AK-48318 [0,1,0,0,0,0|2,0,1]=4 24 B7R0.2 O=C(O)CC(OC)=O AK-77136 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.2 O=C(OC)CC(N)=O AK127795 [0,1,0,0,0,0|3,0,0]=4 26 B7R0.2 OCC(OC(C)C)=O AK-48397 [0,1,0,0,0,0|0,0,2]=3 27 B7R0.9 C=C(C)CS(=O)([O-])=O AK164121 [0,1,0,0,0,0|3,0,0]=4 28 B7R0.9 CS(=O)(OC(C)C)=O AK117725 [0,1,0,0,0,0|1,0,2]=4 29 B7R0.9 NC(OC(C)(C)C)=O AK-40118 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.2 BrC1=CSC(=C1)C AK-28080 [0,0,0,1,0,0|2,1,0]=4 31 B7R1.2 BrC1=NC=C(S1)C AK-23612 [0,0,0,1,0,0|2,1,0]=4 32 B7R1.2 C1=C(C)N=C(N)S1 AK-33524 [0,0,0,1,0,0|2,1,0]=4 33 B7R1.2 C1=C(C)SC(=N1)C AK-46393 [0,0,0,1,0,0|1,1,0]=3 34 B7R1.2 C1=C(C)[NH]N=C1C AK-50030 [0,0,0,1,0,0|3,0,0]=4 35 B7R1.2 C1=C(N=C(C)S1)C AK-35570 [0,0,0,1,0,0|1,1,0]=3 36 B7R1.2 C1=C(SC(=C1)Br)C AK-36324 [0,0,0,1,0,0|1,1,1]=4 37 B7R1.2 C1=C(SC(=N1)N)C AK-26992 [0,0,0,1,0,0|2,1,0]=4 38 B7R1.2 C1=C([NH]C(=N1)C)C AK-36899 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.2 C1=C[N](N=C1C)C AK-47383 [0,0,0,1,0,0|3,0,0]=4 40 B7R1.2 C1=N[N](C=C1C)C AK-47523 [0,0,0,1,0,0|3,0,0]=4 41 B7R1.2 CC1=CN=C(Cl)S1 AK-34726 [0,0,0,1,0,0|2,1,0]=4 42 B7R1.2 CC1=CNC(I)=N1 AK113414 [0,0,0,1,0,0|3,0,0]=4 43 B7R1.2 CC1=CSC(Br)=N1 AK-23607 [0,0,0,1,0,0|2,1,0]=4 44 B7R1.2 CC1=NC=C(I)[NH]1 AK-32021 [0,0,0,1,0,0|3,0,0]=4 45 B7R1.2 CC1=NN=C(Br)O1 AK154074 [0,0,0,1,0,0|3,0,0]=4 46 B7R1.2 CC1=NN=C(C)N1 AK-32124 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.2 CC1=NN=C(C)O1 AK-54981 [0,0,0,1,0,0|2,0,0]=3 48 B7R1.2 FC1COC(=O)O1 AK111108 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 N1=C(SCC1=O)N AK-65159 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 NC1=CN=C(C)S1 AK-85981 [0,0,0,1,0,0|2,1,0]=4 51 B7R1.2 NC1=CSC(C)=N1 AK165023 [0,0,0,1,0,0|2,1,0]=4 52 B7R1.2 NC1=NN=C(C)O1 AK-35499 [0,0,0,1,0,0|3,0,0]=4 53 B7R1.2 O=C1CC(C)=NN1 AK-28727 [0,0,0,1,0,0|3,0,0]=4 54 B7R1.2 O=C1CCC(O1)=O AK139125 [0,0,0,1,0,0|1,0,0]=2 55 B7R1.2 O=C1COC(C)=C1 AK142223 [0,0,0,1,0,0|2,0,0]=3 56 B7R1.2 O=C1N=C(N)OC1 AK-80637 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.2 O=C1N=C(N)SC1 AK-65160 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.2 O=C1NC(CC1)=O AK550047 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.2 O=C1NC(CN1)=O AK307300 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.2 O=C1NC(CO1)=O AK-80133 [0,0,0,1,0,0|3,0,0]=4 61 B7R1.2 O=C1NN(C)C=C1 AK-67583 [0,0,0,1,0,0|2,0,1]=4 62 B7R1.2 O=C1NNC(C)=C1 AK-25972 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 O=C1NOC(C)=C1 AK158281 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.2 O=C1OC(C)=CC1 AK601784 [0,0,0,1,0,0|0,0,0]=1 65 B7R1.2 O=C1OC(C)CC1 AK117314 [0,0,0,1,0,0|0,0,2]=3 66 B7R1.2 O=C1OC[C@@H](C)O1 AK109386 [0,0,0,1,0,0|1,0,2]=4 67 B7R1.2 O=C1OC[C@H](C)O1 AK109427 [0,0,0,1,0,0|1,0,2]=4 68 B7R1.2 O=C1SCC(N1)=O AK-46286 [0,0,0,1,0,0|3,0,0]=4 69 B5R0.5 C(C(=O)O)(=O)O AK-40231 [0,0,0,0,1,0|3,0,0]=4 70 B5R0.5 C=C(F)C(O)=O AK107642 [0,0,0,0,1,0|2,0,0]=3 71 B5R0.5 CC(C)C(N)=O AK-80490 [0,0,0,0,1,0|1,0,2]=4 72 B5R0.5 CC(O)C([O-])=O AK114515 [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 C[C@@H](N)C(N)=O AK-34818 [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 C[C@@H](N)C(O)=O AK-47635 [0,0,0,0,1,0|2,0,1]=4 75 B5R0.5 C[C@H](N)C(N)=O AK-46287 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 C[C@H](O)C([O-])=O AK121770 [0,0,0,0,1,0|2,0,1]=4 77 B5R0.5 N[C@@H](C(=O)N)C AK-26287 [0,0,0,0,1,0|2,0,1]=4 78 B5R0.5 N[C@@H](C)C(O)=O AK-49082 [0,0,0,0,1,0|2,0,1]=4 79 B5R0.5 N[C@@H](C)C(O)=O AK650445 [0,0,0,0,1,0|2,0,1]=4 80 B5R0.5 O=C(O)C(O)=O AK116416 [0,0,0,0,1,0|3,0,0]=4 81 B5R0.5 O=C([O-])C([O-])=O AK112218 [0,0,0,0,1,0|3,0,0]=4 82 B7R0.6 C(C(C)=O)CC(O)=O AK-73018 [0,0,0,0,0,1|3,0,0]=4 83 B7R0.6 CC(=O)NCC(O)=O AK-49883 [0,0,0,0,0,1|3,0,0]=4 84 B7R0.6 CC(NNC(C)C)=O AK118752 [0,0,0,0,0,1|1,0,2]=4 85 B7R0.6 O=C(NNC(N)=S)C AK172993 [0,0,0,0,0,1|3,0,0]=4 86 B4R0.1 C(N)C(=O)C AK-42698 [2,0,0,0,0,0|1,0,1]=4 87 B4R0.1 C=CC([O-])=O AK160082 [2,0,0,0,0,0|1,0,0]=3 88 B4R0.1 N=C(N)OC AK-48234 [2,0,0,0,0,0|2,0,0]=4 89 B4R0.1 NC(OC)=N AK116935 [2,0,0,0,0,0|2,0,0]=4 90 B6R0.1 O=C(NCC)CN AK-65785 [1,1,0,0,0,0|1,0,1]=4 91 B6R0.1 O=C(OC)CNC AK-58375 [1,1,0,0,0,0|2,0,0]=4 92 B6R0.1 O=C(OC)OCC AK397345 [1,1,0,0,0,0|0,0,1]=3 93 B6R0.1 O=C(OC)\C=C\I AK-49986 [1,1,0,0,0,0|2,0,0]=4 94 B6R0.1 O=C(OCC)CO AK-98662 [1,1,0,0,0,0|0,0,1]=3 95 B6R0.3 CC(N(CC)C)=O AK149250 [1,1,0,0,0,0|1,0,1]=4 96 B6R0.3 C\C=C(O)\C(O)=O AK149482 [1,1,0,0,0,0|2,0,0]=4 97 B6R0.4 CC(CCCCl)=O AK-48368 [1,1,0,0,0,0|1,0,1]=4 98 B6R0.4 CC(OCCBr)=O AK165045 [1,1,0,0,0,0|0,0,1]=3 99 B6R0.4 NC(OCCC)=O AK116320 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.5 CS(=O)(OCC)=O AK544582 [1,1,0,0,0,0|1,0,1]=4 101 B8R0.2 CC(C(N)C(OC)=O)=O AK100204 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.5 CCOC(=O)OC(C)Cl AK109787 [0,2,0,0,0,0|1,0,1]=4 103 B8R0.19 CCC(=O)CC(=O)OC AK-53853 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.19 CCC(CC(CC)=O)=O AK-88511 [0,2,0,0,0,0|2,0,0]=4 105 B8R0.19 CNC(C)=CC(=O)OC AK-89549 [0,2,0,0,0,0|1,0,1]=4 106 B8R0.24 CC(C)(C)OC(=O)CN AK-84881 [0,2,0,0,0,0|0,0,2]=4 107 B8R0.24 CC(C)(C)OC(=O)CO AK-77037 [0,2,0,0,0,0|0,0,2]=4 108 B8R0.24 O=C(OC(C)(C)C)CI AK130198 [0,2,0,0,0,0|0,0,2]=4 109 B8R0.24 O=C(OC(C)(C)C)CN AK-46074 [0,2,0,0,0,0|0,0,2]=4 110 B8R0.24 O=C(OC(C)(C)C)NC AK-77399 [0,2,0,0,0,0|0,0,2]=4 111 B6R1.2 C1=C(N=CS1)C AK-27071 [1,0,0,1,0,0|1,1,0]=4 112 B6R1.2 C1=CSC(=N1)C AK-25844 [1,0,0,1,0,0|1,1,0]=4 113 B6R1.2 CC1=CN=CS1 AK-40769 [1,0,0,1,0,0|1,1,0]=4 114 B6R1.2 CC1=CNC=C1 AK-59534 [1,0,0,1,0,0|2,0,0]=4 115 B6R1.2 CC1=NC=CN1 AK-76902 [1,0,0,1,0,0|2,0,0]=4 116 B6R1.2 CC1=NN=CO1 AK-50870 [1,0,0,1,0,0|2,0,0]=4 117 B6R1.2 NC1=NC=CO1 AK-25998 [1,0,0,1,0,0|2,0,0]=4 118 B6R1.2 O=C1CC=NN1 AK-90809 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.2 O=C1CCNC1 AK-46584 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 O=C1CCOC1 AK-27035 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 O=C1CSCC1 AK-40135 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 O=C1NC=CN1 AK-45238 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 O=C1NNCC1 AK-46169 [1,0,0,1,0,0|2,0,0]=4 124 B6R1.2 O=C1NOCC1 AK122832 [1,0,0,1,0,0|2,0,0]=4 125 B6R1.2 O=C1OCC=C1 AK163254 [1,0,0,1,0,0|0,0,2]=4 126 B6R1.2 O=C1OCCN1 AK-94050 [1,0,0,1,0,0|1,0,1]=4 127 B6R1.2 O=C1OCCO1 AK101077 [1,0,0,1,0,0|1,0,1]=4 128 B8R1.3 C1=NC(=CN=C1C)C AK-33017 [0,0,0,1,0,1|2,0,0]=4 129 B8R1.3 CC1=CNC(C=N1)=O AK-28246 [0,0,0,1,0,1|2,0,0]=4 130 B8R1.3 CC1=NN=C(C)C=C1 AK130999 [0,0,0,1,0,1|2,0,0]=4 131 B8R1.3 O=C1C=CC(C)=NN1 AK-33134 [0,0,0,1,0,1|1,0,1]=4 132 B8R1.3 O=C1CCC(=O)CC1 AK-47423 [0,0,0,1,0,1|2,0,0]=4 133 B8R1.3 O=C1CCC(C)=NN1 AK-88553 [0,0,0,1,0,1|1,0,1]=4 134 B8R1.1 CC1=CC=C(S1)C=O AK-30245 [0,1,0,1,0,0|0,1,1]=4 135 B8R1.1 CC1=CN=C(CC)N1 AK161824 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.1 CC1=CSC(CC)=N1 AK114234 [0,1,0,1,0,0|1,1,0]=4 137 B8R1.1 CC1=NC(CBr)=CS1 AK174562 [0,1,0,1,0,0|1,1,0]=4 138 B8R1.1 CC1=NC=C(CBr)S1 AK143697 [0,1,0,1,0,0|1,1,0]=4 139 B8R1.1 CCC1=CC=C(C)S1 AK103790 [0,1,0,1,0,0|1,1,0]=4 140 B8R1.1 NCC1=COC(C)=N1 AK668192 [0,1,0,1,0,0|1,0,1]=4 141 B8R1.1 O=CC1=CC=C(Br)O1 AK-32379 [0,1,0,1,0,0|1,0,1]=4 142 B8R1.1 O=CC1=CC=C(C)O1 AK-94177 [0,1,0,1,0,0|0,0,1]=3 143 B8R1.1 O=CC1=CC=C(Cl)O1 AK158080 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.1 O=CC1=CN=C(C)O1 AK-25452 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 OCC1=CC=C(C)O1 AK135169 [0,1,0,1,0,0|1,0,0]=3 146 B8R1.1 OCC1=CN=C(C)O1 AK154941 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.1 OCC1=NC=C(C)S1 AK-48006 [0,1,0,1,0,0|1,1,0]=4 148 B8R1.4 C1=C(C)N=CN=C1C AK-33461 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.4 CC1=CC(C=CN1)=O AK-25534 [0,1,0,1,0,0|1,0,1]=4 150 B8R1.4 CC1=CC(NN=C1)=O AK-39857 [0,1,0,1,0,0|2,0,0]=4 151 B8R1.4 CC1=CN=CC(C)=N1 AK-73109 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.4 CC1=NC(C)=NC=C1 AK128381 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.4 N1CCC(CC1=O)=O AK-23571 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.4 NC=1CCCC(C1)=O AK-49851 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.4 O=C1C=CC=C(C)N1 AK-29158 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.4 O=C1CC(CCC1)=O AK-44688 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.4 O=C1CC(COC1)=O AK-32470 [0,1,0,1,0,0|2,0,0]=4 158 B8R1.4 O=C1CSCC(=O)C1 AK-32471 [0,1,0,1,0,0|2,0,0]=4 159 B8R1.4 O=C1CSCC(O1)=O AK307186 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.4 O=C1NC(=O)CNC1 AK-26011 [0,1,0,1,0,0|2,0,0]=4 161 B8R1.4 O=C1NC(C)=NC=C1 AK-46845 [0,1,0,1,0,0|1,0,1]=4 162 B8R1.4 O=C1NC=NC(C)=C1 AK-23779 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.4 O=C1[CH-]C(COC1)=O AK-42250 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.18 CC1=C(OC(O1)=O)C AK-49114 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.18 CC1=NC(C)=C(C)S1 AK-58544 [0,1,0,1,0,0|1,1,0]=4 166 B8R1.18 CN1C(=O)CC(=N1)C AK-72987 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.18 O=C1C(Br)=CC(O1)=O AK-43651 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.18 O=C1C(C)CC(O1)=O AK113612 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.18 O=C1CN(C)C(N1)=N AK113718 [0,1,0,1,0,0|2,0,0]=4 170 B8R1.18 O=C1N[C@@H](C)C(O1)=O AK109319 [0,1,0,1,0,0|2,0,0]=4 171 B8R1.34 CC(OC1CNC1)=O AK-71497 [0,1,0,1,0,0|0,0,2]=4 172 B8R1.34 CC(OC1CNC1)=O AK208566 [0,1,0,1,0,0|0,0,2]=4 173 B8R1.50 CC1C(CCC1=O)=O AK-50538 [0,1,0,1,0,0|2,0,0]=4 174 B8R1.50 CC=1CCC(C1O)=O AK103328 [0,1,0,1,0,0|1,0,1]=4 175 B8R1.50 O=C1CCC(N1I)=O AK-76663 [0,1,0,1,0,0|2,0,0]=4 176 B8R1.50 O=C1CCC(N1O)=O AK-94009 [0,1,0,1,0,0|2,0,0]=4 177 B8R0.28 CC(OCOC(C)=O)=O AK112071 [0,0,0,0,0,2|1,0,0]=3