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[0,0,0,0,0,0|2,0,0]=2 16 B9R1.35 NC(=O)[C@H]1CC[C@H](C1)N Z2238896801 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,0,0,0|2,0,0]=2 19 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,0,0,0|2,0,0]=2 20 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,0,0,0|0,0,0]=0 22 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,0,0,0|0,0,0]=0 23 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,0,0,0,0,0|2,0,2]=4 24 B9R1.35 O=C1CC(CO1)C(=O)O Z1205493721 [0,0,0,0,0,0|2,0,2]=4 25 B9R1.35 O=C1CC(CS1)C(=O)O Z1201622329 [0,0,0,0,0,0|2,0,2]=4 26 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,0,0,0,0,0|1,0,2]=3 27 B9R1.35 O=C1CCC(N1)C(=O)O Z104474096 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.35 O=C1CCC(O1)C(=O)O Z1198149867 [0,0,0,0,0,0|2,0,2]=4 29 B9R1.35 O=C1CCC(S1)C(=O)O Z1205655674 [0,0,0,0,0,0|2,0,2]=4 30 B9R1.35 O=C1CC[C@@H](N1)C(=O)O Z812534840 [0,0,0,0,0,0|2,0,2]=4 31 B9R1.35 O=C1CC[C@H](N1)C(=O)O Z1154378309 [0,0,0,0,0,0|2,0,2]=4 32 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,0,0,0|0,0,2]=2 33 B9R1.35 O=C1COC(C1)C(=O)O Z3002628864 [0,0,0,0,0,0|1,0,2]=3 34 B8R1.1 CC1CCC(C1)C=O Z1268606446 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.1 CCC1CC(CN1)C Z1203749385 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.1 N#CC1CCC(C1)O Z1258995690 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.1 OCC1CC(CN1)F Z1753033006 [1,0,0,0,0,0|1,0,1]=3 38 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.7 CC(N)C1CCCN1 Z742893600 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [1,0,0,0,0,0|2,0,1]=4 44 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.7 NC(=O)C1CCCC1 Z33546657 [1,0,0,0,0,0|2,0,0]=3 47 B8R1.7 NC(=O)C1CCCN1 Z56945990 [1,0,0,0,0,0|1,0,0]=2 48 B8R1.7 NC(=O)C1CCCO1 Z33545380 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 NC(=O)C1CCOC1 Z802555342 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 NC(=O)C1CSCN1 Z316101160 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.7 NC(=O)N1CCCC1 Z56907605 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [1,0,0,0,0,0|1,0,1]=3 54 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [1,0,0,0,0,0|1,0,2]=4 57 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [1,0,0,0,0,0|0,0,2]=3 58 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.7 O=C(O)C1CCCC1 Z104476116 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.7 O=C(O)C1CCCN1 Z104476886 [1,0,0,0,0,0|0,0,0]=1 61 B8R1.7 O=C(O)C1CCCO1 Z104486102 [1,0,0,0,0,0|1,0,0]=2 62 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [1,0,0,0,0,0|1,0,0]=2 63 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.7 O=C(O)C1CCOC1 Z381356480 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [1,0,0,0,0,0|2,0,0]=3 67 B8R1.7 O=C(O)C1CSCN1 Z104495996 [1,0,0,0,0,0|1,0,0]=2 68 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [1,0,0,0,0,0|1,0,0]=2 69 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [1,0,0,0,0,0|2,0,0]=3 70 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [1,0,0,0,0,0|0,0,0]=1 72 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [1,0,0,0,0,0|1,0,0]=2 73 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [1,0,0,0,0,0|0,0,0]=1 74 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [1,0,0,0,0,0|1,0,0]=2 75 B8R1.7 OB(O)C1CCCC1 Z1147227731 [1,0,0,0,0,0|2,0,1]=4 76 B10R1.14 COC(=O)C1CC(=O)CS1 Z1216812477 [0,1,0,0,0,0|1,0,2]=4 77 B10R1.14 COC(=O)N1CCC(C1)N Z1262398482 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N Z2309862002 [0,1,0,0,0,0|2,0,0]=3 79 B10R1.14 COC(=O)[C@@H]1C[C@@H](CS1)N Z3476139903 [0,1,0,0,0,0|2,0,0]=3 80 B10R1.31 C#C[C@H]1CC[C@H](N1)C(=O)O Z5870110869 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.31 CCC1CCC(N1)C(=O)O Z2417581629 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.31 CCC1CCC(O1)C(=O)O Z1389029400 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.31 CCN1CCC(C1)C(=O)O Z1459883437 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.31 CC[C@@H]1CN[C@@H](C1)C(=O)O Z3490158686 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.31 COC1CCC(C1)C(=O)O Z1509041249 [0,1,0,0,0,0|1,0,0]=2 86 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)N Z1262618373 [0,1,0,0,0,0|1,0,0]=2 87 B10R1.31 CO[C@@H]1CN[C@@H](C1)C(=O)O Z1203733743 [0,1,0,0,0,0|0,0,0]=1 88 B10R1.31 CO[C@H]1CN[C@@H](C1)C(=O)O Z1203732431 [0,1,0,0,0,0|0,0,0]=1 89 B10R1.31 NC[C@@H]1CC[C@@H](O1)C(=O)O Z2568677836 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.55 CS(=O)(=O)C1CCC(C1)O Z1245790139 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.55 O=S(=O)(F)[C@H]1CC[C@H](C1)O Z4791710817 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.58 CN1CC(NC1=O)C(=O)O Z1203832385 [0,1,0,0,0,0|2,0,1]=4 93 B10R1.58 C[C@@H]1C[C@@H](CN1C)C(=O)O Z3678692412 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.58 N[C@@H]1C[C@@H](C[C@H]1O)C(=O)O Z3335066881 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.58 N[C@H]1C[C@H](C[C@H]1O)C(=O)O Z5062872452 [0,1,0,0,0,0|1,0,0]=2 96 B10R1.58 O=C(O)C1CC(=O)N(C1)O Z1205496168 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.58 O=C(O)C1C[C@@H]([C@H](C1)Br)Br Z540724856 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.58 O=C(O)[C@@H]1C[C@@H]([C@@H](C1)O)O Z2704517658 [0,1,0,0,0,0|1,0,0]=2 99 B10R1.59 CC1CC(C(O1)C(=O)O)C Z1947908132 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.59 CN1C[C@@H](C[C@@H]1C(=O)O)O Z3247574257 [0,1,0,0,0,0|0,0,0]=1 101 B10R1.59 N[C@@H]1C[C@@H](C[C@@H]1C(=O)O)O Z2939860921 [0,1,0,0,0,0|1,0,0]=2 102 B10R1.194 CC1C(CCN1C)C(=O)O Z1839475263 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O Z2379806278 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.194 O=C(O)[C@@H]1NC[C@H]([C@H]1O)O Z4081403377 [0,1,0,0,0,0|0,0,0]=1 105 B10R1.359 CC1(CC(CN1)C(=O)O)C Z4238522538 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.359 CC1(CCC(C1)C(=O)O)C Z1205496980 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.359 CC1(CCC(N1)C(=O)O)C Z1762997323 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.359 CC1(CNC(C1)C(=O)O)C Z3247793866 [0,1,0,0,0,0|1,0,0]=2 109 B10R1.359 O=C(O)C1CC(CN1)(F)F Z1815156403 [0,1,0,0,0,0|1,0,0]=2 110 B10R1.359 O=C(O)C1CCC(C1)(F)F Z1255366935 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 Z104341242 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.470 CC1(CCC(C1)N)C(=O)O Z3244659899 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.470 CC1CCC(C1)(N)C(=O)O Z3038761031 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.470 CN1CCC(C1)(C)C(=O)O Z2311218975 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.470 N[C@@]1(CC[C@@H](C1)O)C(=O)O Z3069146834 [0,1,0,0,0,0|1,0,0]=2 116 B8R0.8 C#CCOC(C)C(=O)O Z362807268 [0,0,1,0,0,0|2,0,1]=4 117 B8R0.8 C=CCOC(C)C(=O)O Z362807816 [0,0,1,0,0,0|2,0,1]=4 118 B8R0.8 CCCCC(C)C(=O)C Z727719632 [0,0,1,0,0,0|3,0,0]=4 119 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|2,0,0]=3 120 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,0,0|3,0,0]=4 121 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,0,0|3,0,0]=4 122 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,0,0|3,0,0]=4 123 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,0,0|3,0,0]=4 124 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,1,0,0,0|3,0,0]=4 125 B8R0.8 COCCC(C)C(=O)O Z756390554 [0,0,1,0,0,0|3,0,0]=4 126 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,0,0|3,0,0]=4 127 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,0,0|3,0,0]=4 128 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,0,0|3,0,0]=4 129 B8R0.8 O=C([O-])C(O)CCCO Z2510259022 [0,0,1,0,0,0|2,0,1]=4 130 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,1,0,0,0|2,0,1]=4 131 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,1,0,0,0|1,0,0]=2 132 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,1,0,0,0|1,0,2]=4 133 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,1,0,0,0|3,0,0]=4 134 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,1,0,0,0|2,0,0]=3 135 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,1,0,0,0|3,0,0]=4 136 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,1,0,0,0|3,0,0]=4 137 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,1,0,0,0|3,0,0]=4 138 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,1,0,0,0|3,0,0]=4 139 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,1,0,0,0|3,0,0]=4 140 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,1,0,0,0|0,0,2]=3 141 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,1,0,0,0|1,0,2]=4 142 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,1,0,0,0|1,0,0]=2 143 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,0,0|2,0,0]=3 144 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,0,1,0,0,0|3,0,0]=4 145 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,0,1,0,0,0|2,0,0]=3 146 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,0,1,0,0,0|3,0,0]=4 147 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,0,1,0,0,0|3,0,0]=4 148 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,0,1,0,0,0|2,0,0]=3 149 B8R0.15 CN[C@@H](COC)C(=O)N Z2213893319 [0,0,1,0,0,0|3,0,0]=4 150 B8R0.23 C=C(C)CC(N)C(=O)O Z317024962 [0,0,1,0,0,0|1,0,1]=3 151 B8R0.23 C=C(Cl)CC(N)C(=O)O Z2689845474 [0,0,1,0,0,0|1,0,2]=4 152 B8R0.23 CC(C)CC(=O)C(=O)O Z975823226 [0,0,1,0,0,0|2,0,1]=4 153 B8R0.23 CC(C)CC(C)C(=O)O Z756390494 [0,0,1,0,0,0|2,0,0]=3 154 B8R0.23 CC(C)CC(N)C(=O)O Z57127546 [0,0,1,0,0,0|1,0,0]=2 155 B8R0.23 CC(C)C[C@@H](N)C(=O)O Z850973972 [0,0,1,0,0,0|1,0,0]=2 156 B8R0.23 CC(C)C[C@H](N)C(=O)O Z756437526 [0,0,1,0,0,0|1,0,0]=2 157 B8R0.23 CC(C)NC(C)C(=O)O Z449368966 [0,0,1,0,0,0|3,0,0]=4 158 B8R0.23 CC(C)SC(C)C(=O)O Z214845364 [0,0,1,0,0,0|3,0,0]=4 159 B8R0.23 CC(CC(F)F)C(=O)O Z1198342616 [0,0,1,0,0,0|3,0,0]=4 160 B8R0.23 CC(CN(C)C)C(=O)O Z2106602539 [0,0,1,0,0,0|3,0,0]=4 161 B8R0.23 CC(CS(=O)C)C(=O)O Z802572188 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.23 CC(N)CC(C)C(=O)O Z5272192378 [0,0,1,0,0,0|2,0,0]=3 163 B8R0.23 CN(C)CC(O)C(=O)O Z1205494800 [0,0,1,0,0,0|3,0,0]=4 164 B8R0.23 NC(=O)CC(N)C(=O)O Z104481196 [0,0,1,0,0,0|1,0,2]=4 165 B8R0.23 NC(=O)C[C@@H](N)C(=O)O Z1147451758 [0,0,1,0,0,0|1,0,2]=4 166 B8R0.23 NC(=O)C[C@H](N)C(=O)O Z1066276474 [0,0,1,0,0,0|1,0,2]=4 167 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,0,1,0,0,0|1,0,1]=3 169 B8R0.23 NC(CC(F)F)C(=O)O Z1250080925 [0,0,1,0,0,0|2,0,0]=3 170 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,0,1,0,0,0|1,0,1]=3 171 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,0,1,0,0,0|1,0,1]=3 172 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,0,1,0,0,0|2,0,1]=4 173 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,1,0,0,0|1,0,2]=4 177 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,1,0,0,0|2,0,0]=3 178 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,0,1,0,0,0|2,0,0]=3 179 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,0,1,0,0,0|1,0,0]=2 180 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,0,1,0,0,0|2,0,0]=3 181 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,1,0,0,0|3,0,0]=4 182 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,1,0,0,0|3,0,0]=4 183 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,1,0,0,0|2,0,0]=3 184 B8R0.28 CC(N)COCC(=O)O Z3789755599 [0,0,1,0,0,0|2,0,0]=3 185 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,1,0,0,0|1,0,1]=3 186 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,1,0,0,0|0,0,1]=2 187 B8R0.28 NC(=O)CNCC(=O)O Z4658099947 [0,0,1,0,0,0|1,0,2]=4 188 B8R0.28 O=C(O)CCCC(=O)O Z57127454 [0,0,1,0,0,0|2,0,1]=4 189 B8R0.28 O=C(O)CNCC(=O)O Z104476528 [0,0,1,0,0,0|1,0,1]=3 190 B8R0.28 O=C(O)COCC(=O)O Z57965384 [0,0,1,0,0,0|2,0,1]=4 191 B8R0.28 O=C(O)CSCC(=O)O Z104478584 [0,0,1,0,0,0|2,0,1]=4 192 B10R2.14 OC1CNC(C1)C2CC2 Z2706744558 [0,0,0,1,0,0|2,0,1]=4 193 B10R2.28 C[C@]1(C[C@@H]2CN[C@H]1C2)O Z4882042053 [0,0,0,1,0,0|2,0,1]=4 194 B10R2.308 O=C(O)[C@@]12C[C@H]([C@@H]1C2)O Z3380556323 [0,0,0,1,0,0|1,0,0]=2 195 B10R2.348 NC(=O)C12CC(C1)CN2 Z2587654810 [0,0,0,1,0,0|2,0,0]=3 196 B10R2.348 O=C(O)C12CC(C1)CN2 Z199536584 [0,0,0,1,0,0|1,0,0]=2 197 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,0|1,0,0]=2 198 B10R2.357 CC(=O)N1CC2OC2C1 Z1999525202 [0,0,0,1,0,0|3,0,0]=4 199 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,0|1,0,0]=2 200 B8R1.23 CC(=O)N1CC(C1)N Z1154674340 [0,0,0,0,1,0|3,0,0]=4 201 B8R1.23 CC1CC(C1)C(=O)O Z1198158393 [0,0,0,0,1,0|1,0,0]=2 202 B8R1.23 CN1CC(C1)C(=O)O Z1198330195 [0,0,0,0,1,0|2,0,0]=3 203 B8R1.23 NC(=O)C1CC(=O)C1 Z1486002682 [0,0,0,0,1,0|1,0,2]=4 204 B8R1.23 NC(=O)N1CC(C1)N Z3297611731 [0,0,0,0,1,0|3,0,0]=4 205 B8R1.23 NC(=O)N1CC(C1)O Z1090111906 [0,0,0,0,1,0|2,0,0]=3 206 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O Z360056576 [0,0,0,0,1,0|1,0,0]=2 207 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,0,1,0|0,0,1]=2 208 B8R1.23 O=C1CC(C1)C(=O)O Z235344247 [0,0,0,0,1,0|0,0,2]=3 209 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,0,1,0|2,0,0]=3 210 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,0,1,0|2,0,0]=3 211 B10R1.13 C=C1CCC(CC1)C(=O)O Z1205495278 [0,0,0,0,0,1|2,0,1]=4 212 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N Z1262662148 [0,0,0,0,0,1|3,0,0]=4 213 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,0,0,0,0,1|2,0,1]=4 214 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,0,0,0,0,1|3,0,0]=4 215 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,0,0,0,0,1|2,0,0]=3 216 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,0,0,0,0,1|1,0,0]=2 217 B10R1.13 CN1CCC(CC1)C(=O)O Z744843480 [0,0,0,0,0,1|3,0,0]=4 218 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,0,0,0,0,1|3,0,0]=4 219 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,0,0,0,0,1|2,0,0]=3 220 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,0,0,0,0,1|1,0,0]=2 221 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,0,0,0,0,1|1,0,0]=2 222 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,0,0,0,0,1|1,0,0]=2 223 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,0,0,0,0,1|2,0,0]=3 224 B10R1.13 NC(=O)C1CCC(CC1)O Z935127666 [0,0,0,0,0,1|2,0,0]=3 225 B10R1.13 NC(=O)C1CNC(=O)CN1 Z3282082973 [0,0,0,0,0,1|1,0,2]=4 226 B10R1.13 NC(=O)N1CCC(CC1)O Z198194442 [0,0,0,0,0,1|3,0,0]=4 227 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N Z4867378872 [0,0,0,0,0,1|3,0,0]=4 228 B10R1.13 NC1=NCC(CC1)C(=O)O Z2378836818 [0,0,0,0,0,1|2,0,1]=4 229 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,0,0,0,0,1|1,0,0]=2 230 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,0,0,0,0,1|0,0,0]=1 231 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,0,0,0,0,1|1,0,0]=2 232 B10R1.13 O=C1CCC(CC1)C(=O)O Z235352395 [0,0,0,0,0,1|1,0,2]=4 233 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,0,0,0,0,1|1,0,2]=4 234 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,0,0,0,0,1|0,0,2]=3 235 B10R1.54 CC1CC(CN1)CC(=O)O Z4762765581 [0,0,0,0,0,1|3,0,0]=4 236 B10R1.54 CC1CC/C(=C\C(=O)O)/C1 Z1868431092 [0,0,0,0,0,1|2,0,1]=4 237 B10R1.54 CC1CCC(C1)CC(=O)O Z1205494179 [0,0,0,0,0,1|2,0,0]=3 238 B10R1.54 CC1CCC(O1)CC(=O)O Z1205494903 [0,0,0,0,0,1|3,0,0]=4 239 B10R1.54 CC1CCN(C1)CC(=O)O Z1459983829 [0,0,0,0,0,1|3,0,0]=4 240 B10R1.54 CN1CCC(C1)CC(=O)O Z2492774445 [0,0,0,0,0,1|3,0,0]=4 241 B10R1.54 N[C@@H]1CC[C@@H](C1)CC(=O)O Z3070901966 [0,0,0,0,0,1|2,0,0]=3 242 B10R1.113 CC(=O)C1CCOC(C1)C Z1276728239 [0,0,0,0,0,1|3,0,0]=4 243 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,0,0,0,0,1|2,0,0]=3 244 B10R1.113 CC1CC(CCO1)C(=O)O Z1192344104 [0,0,0,0,0,1|2,0,0]=3 245 B10R1.113 CC1CC(CCS1)C(=O)O Z3242951587 [0,0,0,0,0,1|2,0,0]=3 246 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,0,0,0,0,1|2,0,0]=3 247 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,0,0,0,0,1|3,0,0]=4 248 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,0,0,0,0,1|1,0,0]=2 249 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,0,0,0,0,1|2,0,1]=4 250 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,0,0,0,0,1|2,0,0]=3 251 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,0,0,0,0,1|3,0,0]=4 252 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,0,0,0,0,1|3,0,0]=4 253 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,0,0,0,0,1|3,0,0]=4 254 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,0,0,0,0,1|3,0,0]=4 255 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,0,0,0,0,1|3,0,0]=4 256 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,0,0,0,0,1|1,0,0]=2 257 B10R1.113 C[C@@H]1C[C@@H](CCN1)C(=O)O Z2688982174 [0,0,0,0,0,1|2,0,0]=3 258 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,0,0,0,0,1|2,0,0]=3 259 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,0,0,0,0,1|2,0,0]=3 260 B10R1.113 N[C@H]1C=CC[C@@H](C1)C(=O)O Z2785908692 [0,0,0,0,0,1|2,0,1]=4 261 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,0,0,0,0,1|2,0,0]=3 262 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,0,0,0,0,1|1,0,0]=2 263 B10R1.113 O=C1CC(CCN1)C(=O)O Z1203735095 [0,0,0,0,0,1|1,0,2]=4 264 B10R1.113 OC1CCNC(C1)C(F)F Z5010898034 [0,0,0,0,0,1|2,0,1]=4 265 B7R0.3 CC(CN)CCCO Z2234185702 [1,0,1,0,0,0|1,0,1]=4 266 B7R0.3 CCC(C)NCCO Z335251014 [1,0,1,0,0,0|1,0,1]=4 267 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,1,0,0,0|0,0,2]=4 268 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,1,0,0,0|1,0,1]=4 269 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,1,0,0,0|0,0,2]=4 270 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,1,0,0,0|2,0,0]=4 271 B7R0.4 CC(C)CNCCO Z3269089575 [1,0,1,0,0,0|1,0,1]=4 272 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,1,0,0,0|1,0,1]=4 273 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|1,0,0]=3 274 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|1,0,0]=3 275 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|0,0,0]=2 276 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,0]=3 277 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,1,0,0,0|2,0,0]=4 278 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,0]=3 279 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|2,0,0]=4 280 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|2,0,0]=4 281 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|2,0,0]=4 282 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|2,0,0]=4 283 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|2,0,0]=4 284 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|2,0,0]=4 285 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,0,1,0,0,0|0,0,2]=4 286 B7R0.4 NC(=O)COCCO Z1198148880 [1,0,1,0,0,0|2,0,0]=4 287 B7R0.4 NCCCCC(=O)N Z1639630947 [1,0,1,0,0,0|1,0,0]=3 288 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|0,0,0]=2 289 B7R0.4 NCCCOC(=O)N Z3337481796 [1,0,1,0,0,0|2,0,0]=4 290 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,1,0,0,0|1,0,0]=3 291 B7R0.4 NCCOCC(=O)N Z1428158847 [1,0,1,0,0,0|2,0,0]=4 292 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,1,0,0,0|1,0,0]=3 293 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|1,0,0]=3 294 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,0]=3 295 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,0]=3 296 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|0,0,0]=2 297 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.4 O=C([O-])COCCO Z1744715804 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.5 C=CCC(N)C(=O)O Z317024964 [1,0,1,0,0,0|0,0,2]=4 300 B7R0.5 C=CC[C@@H](N)C(=O)O Z1374884973 [1,0,1,0,0,0|0,0,2]=4 301 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|1,0,0]=3 302 B7R0.5 CC(NC=O)C(=O)O Z56757230 [1,0,1,0,0,0|0,0,2]=4 303 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|1,0,0]=3 304 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|0,0,0]=2 305 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|0,0,0]=2 306 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|0,0,0]=2 307 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|0,0,0]=2 308 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|2,0,0]=4 310 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|2,0,0]=4 311 B7R0.5 COCC(N)C(=O)O Z1613478163 [1,0,1,0,0,0|1,0,0]=3 312 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|2,0,0]=4 313 B7R0.5 CSCC(N)C(=O)O Z317025996 [1,0,1,0,0,0|1,0,0]=3 314 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,1,0,0,0|1,0,0]=3 315 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,1,0,0,0|0,0,0]=2 316 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,1,0,0,0|2,0,0]=4 317 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,1,0,0,0|1,0,0]=3 318 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,1,0,0,0|2,0,0]=4 319 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,1,0,0,0|0,0,0]=2 320 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,1,0,0,0|0,0,0]=2 321 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,0,1,0,0,0|0,0,2]=4 322 B7R0.6 CC(=O)NCC(C)O Z353603952 [1,0,1,0,0,0|2,0,0]=4 323 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,0,1,0,0,0|1,0,0]=3 324 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,0,1,0,0,0|2,0,0]=4 325 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,0,1,0,0,0|2,0,0]=4 326 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,0,1,0,0,0|2,0,0]=4 327 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,0,1,0,0,0|1,0,0]=3 328 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,0,1,0,0,0|0,0,0]=2 329 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,0,1,0,0,0|2,0,0]=4 330 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,0,1,0,0,0|1,0,1]=4 331 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [1,0,1,0,0,0|2,0,0]=4 333 B7R0.15 CCC(CC)C(=O)N Z365255920 [1,0,1,0,0,0|2,0,0]=4 334 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [1,0,1,0,0,0|1,0,1]=4 335 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|0,0,0]=2 336 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,0]=3 337 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,0]=3 338 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,0,1,0,0,0|1,0,0]=3 339 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,0,1,0,0,0|2,0,0]=4 340 B7R0.2 CC(C)CC(N)CO Z734151210 [1,0,1,0,0,0|1,0,1]=4 341 B7R1.1 C#CC1CCCN1 Z1203832764 [2,0,0,0,0,0|1,0,1]=4 342 B7R1.1 CCC1CCCN1 Z281773802 [2,0,0,0,0,0|1,0,1]=4 343 B7R1.1 FCC1CCCN1 Z2216711551 [2,0,0,0,0,0|1,0,1]=4 344 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [2,0,0,0,0,0|1,0,1]=4 345 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [2,0,0,0,0,0|1,0,1]=4 346 B7R1.1 O=CC1=CCCC1 Z1190318866 [2,0,0,0,0,0|1,0,1]=4 347 B7R1.1 O=CC1CCCC1 Z875036058 [2,0,0,0,0,0|1,0,0]=3 348 B7R1.1 O=CC1CCOC1 Z199056102 [2,0,0,0,0,0|2,0,0]=4 349 B7R1.1 O=CC1CCSC1 Z1201681645 [2,0,0,0,0,0|2,0,0]=4 350 B7R1.1 O=CN1CCCC1 Z1255394997 [2,0,0,0,0,0|2,0,0]=4 351 B7R1.1 OCC1CCCC1 Z397587414 [2,0,0,0,0,0|1,0,1]=4 352 B7R1.1 OCC1CCCN1 Z825308062 [2,0,0,0,0,0|0,0,1]=3 353 B7R1.1 OCC1CCCS1 Z1201679857 [2,0,0,0,0,0|1,0,1]=4 354 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [2,0,0,0,0,0|0,0,1]=3 355 B7R1.2 CC1CC(CN1)O Z1201051000 [2,0,0,0,0,0|0,0,1]=3 356 B7R1.2 CC1CCC(C1)O Z1233224917 [2,0,0,0,0,0|1,0,1]=4 357 B7R1.2 CC1CNC(=O)C1 Z959319678 [2,0,0,0,0,0|1,0,1]=4 358 B7R1.2 CC1CNC(C1)C Z1250222491 [2,0,0,0,0,0|1,0,1]=4 359 B7R1.2 NC1CNC(=O)C1 Z1198329759 [2,0,0,0,0,0|1,0,1]=4 360 B7R1.2 O=C1CC(CN1)O Z1198157723 [2,0,0,0,0,0|0,0,1]=3 361 B9R0.7 CC(C)COC(C)C(=O)O Z316259214 [0,1,1,0,0,0|2,0,0]=4 362 B9R0.8 COC(=O)N(C)CCCO Z1896509823 [0,1,1,0,0,0|2,0,0]=4 363 B9R0.13 CCCCC(CC)C(=O)O Z104478072 [0,1,1,0,0,0|2,0,0]=4 364 B9R0.42 CC(NC(=O)CCl)C(=O)O Z235363005 [0,1,1,0,0,0|1,0,1]=4 365 B9R0.42 CCC(=O)NC(C)C(=O)O Z239130514 [0,1,1,0,0,0|1,0,1]=4 366 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,1,0,0,0|2,0,0]=4 367 B9R0.47 C=CCCOC(C)C(=O)O Z362807908 [0,1,1,0,0,0|2,0,0]=4 368 B9R0.47 CC(CSCCN)C(=O)O Z2379806326 [0,1,1,0,0,0|2,0,0]=4 369 B9R0.47 CCCCOC(C)C(=O)O Z409190966 [0,1,1,0,0,0|2,0,0]=4 370 B9R0.47 CCCCSC(C)C(=O)O Z149191762 [0,1,1,0,0,0|2,0,0]=4 371 B9R0.47 COCCCC(N)C(=O)O Z1428160326 [0,1,1,0,0,0|2,0,0]=4 372 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,1,0,0,0|1,0,1]=4 373 B9R0.47 COCCNC(C)C(=O)N Z1263820333 [0,1,1,0,0,0|1,0,0]=3 374 B9R0.47 COCCOC(C)C(=O)O Z316259198 [0,1,1,0,0,0|1,0,0]=3 375 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,1,0,0,0|2,0,0]=4 376 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,1,0,0,0|2,0,0]=4 377 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,1,0,0,0|2,0,0]=4 378 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,1,1,0,0,0|0,0,2]=4 379 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,1,1,0,0,0|2,0,0]=4 380 B9R0.15 CCCC(CCC)C(=O)O Z756391526 [0,1,1,0,0,0|2,0,0]=4 381 B9R0.15 NCCC(CCN)C(=O)O Z1415893857 [0,1,1,0,0,0|2,0,0]=4 382 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,1,1,0,0,0|1,0,0]=3 383 B9R0.33 CCCC(C(=O)O)C(C)C Z756391686 [0,1,1,0,0,0|2,0,0]=4 384 B9R0.33 CCCC(C(=O)O)N(C)C Z448003350 [0,1,1,0,0,0|1,0,0]=3 385 B9R0.33 CN(C)C(CCO)C(=O)O Z5134019755 [0,1,1,0,0,0|0,0,0]=2 386 B9R0.33 COCC(C(=O)O)N(C)C Z4653441284 [0,1,1,0,0,0|2,0,0]=4 387 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,1,1,0,0,0|1,0,1]=4 388 B9R0.39 CCC(CC(C)C)C(=O)O Z756391140 [0,1,1,0,0,0|2,0,0]=4 389 B9R0.39 CCC(CC(F)F)C(=O)O Z1321943682 [0,1,1,0,0,0|2,0,0]=4 390 B9R0.39 COC(CC(C)C)C(=O)O Z1205496164 [0,1,1,0,0,0|2,0,0]=4 391 B9R0.74 CNC(C)(COC)C(=O)O Z2234185714 [0,1,1,0,0,0|2,0,0]=4 392 B9R0.11 CC(C)CC(C)(C)C(=O)O Z995179602 [0,1,1,0,0,0|2,0,0]=4 393 B9R0.11 CC(C)CC(C)(N)C(=O)N Z477337822 [0,1,1,0,0,0|2,0,0]=4 394 B9R0.11 CC(C)CC(C)(N)C(=O)O Z4767745729 [0,1,1,0,0,0|1,0,0]=3 395 B9R0.57 CC(C)(C)CC(N)C(=O)O Z1492781338 [0,1,1,0,0,0|1,0,0]=3 396 B9R0.57 CC(C)(C)CC(O)C(=O)O Z1041195612 [0,1,1,0,0,0|2,0,0]=4 397 B9R0.57 CC(C)(Cl)CC(N)C(=O)O Z2432627366 [0,1,1,0,0,0|1,0,0]=3 398 B9R0.57 CC(CC(C)(C)C)C(=O)O Z1198149948 [0,1,1,0,0,0|2,0,0]=4 399 B9R0.57 CC(CC(C)(C)N)C(=O)O Z1742056030 [0,1,1,0,0,0|2,0,0]=4 400 B9R0.57 CC(F)(F)CC(N)C(=O)O Z3325264018 [0,1,1,0,0,0|1,0,0]=3 401 B9R0.57 NC(CC(F)(F)F)C(=O)O Z1357902358 [0,1,1,0,0,0|2,0,0]=4 402 B9R0.57 NC(CS(=O)(=O)O)C(=O)O Z1198149799 [0,1,1,0,0,0|2,0,0]=4 403 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,1,1,0,0,0|1,0,0]=3 404 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,1,1,0,0,0|2,0,0]=4 405 B9R0.1 COC(=O)CNCC(C)C Z235645558 [0,1,1,0,0,0|1,0,0]=3 406 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,1,1,0,0,0|2,0,0]=4 407 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,1,1,0,0,0|2,0,0]=4 408 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [0,1,1,0,0,0|1,0,1]=4 409 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,1,1,0,0,0|2,0,0]=4 410 B9R0.56 CC(C)(C)CNCC(=O)O Z2526356733 [0,1,1,0,0,0|1,0,0]=3 411 B9R0.56 O=C(O)CNCC(F)(F)F Z1259161959 [0,1,1,0,0,0|2,0,0]=4 412 B9R0.56 O=C(O)CNCP(=O)(O)O Z3225522739 [0,1,1,0,0,0|2,0,0]=4 413 B9R1.7 CNC[C@@H]1C[C@H](CN1)O Z2242008674 [1,1,0,0,0,0|1,0,1]=4 414 B9R1.7 COC[C@@H]1C[C@@H](CN1)O Z2298137791 [1,1,0,0,0,0|0,0,1]=3 415 B9R1.132 OC[C@@H]1NC[C@H]([C@H]1O)O Z4452704152 [1,1,0,0,0,0|0,0,1]=3 416 B9R1.132 O[C@@H]1[C@@H](CN[C@H]1CF)O Z4497197479 [1,1,0,0,0,0|1,0,1]=4 417 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.133 O=CC1CCC(C1)(F)F Z1989480634 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.11 CCC(=O)C1CCCC1 Z513735272 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.11 CNC(=O)C1CCCN1 Z252845110 [1,1,0,0,0,0|1,0,0]=3 421 B9R1.11 CNC(=O)C1CSCN1 Z1449756217 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [1,1,0,0,0,0|0,0,2]=4 423 B9R1.11 COC(=O)C1CCCC1 Z18376105 [1,1,0,0,0,0|1,0,0]=3 424 B9R1.11 COC(=O)C1CCCN1 Z240133664 [1,1,0,0,0,0|0,0,0]=2 425 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.11 COC(=O)C1CCOC1 Z802555348 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.11 COC(=O)C1CCSS1 Z3302120689 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [1,1,0,0,0,0|1,0,0]=3 430 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [1,1,0,0,0,0|0,0,0]=2 431 B9R1.11 N/C(=N\O)/C1CCCC1 Z285132798 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.11 NNC(=O)C1CCCC1 Z58981928 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.11 O=C(CCl)C1CCCC1 Z1198266546 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.11 O=C(CCl)C1CCCO1 Z1205660980 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.19 CC(C)(O)C1CCCN1 Z1192038961 [1,1,0,0,0,0|1,0,1]=4 438 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [1,1,0,0,0,0|1,0,1]=4 439 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,1,0,0,0,0|1,0,0]=3 440 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,1,0,0,0,0|0,0,0]=2 441 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,1,0,0,0,0|2,0,0]=4 443 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,1,0,0,0,0|0,0,0]=2 444 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,1,0,0,0,0|0,0,0]=2 445 B9R1.41 CN1CSCC1C(=O)O Z3069281046 [1,1,0,0,0,0|1,0,0]=3 446 B9R1.41 NC(=O)C1CCCC1N Z1203642185 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.41 NC(=O)[C@H]1CCC[C@H]1N Z2311233523 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [1,1,0,0,0,0|0,0,0]=2 451 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [1,1,0,0,0,0|0,0,0]=2 452 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,1,0,0,0,0|1,0,0]=3 453 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,1,0,0,0,0|1,0,0]=3 454 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,1,0,0,0,0|1,0,0]=3 455 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [1,1,0,0,0,0|1,0,1]=4 456 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,1,0,0,0,0|1,0,0]=3 457 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,1,0,0,0,0|0,0,0]=2 459 B9R1.163 CC(=O)C1(CCCC1)N Z2736561944 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [1,1,0,0,0,0|1,0,0]=3 462 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [1,1,0,0,0,0|0,0,0]=2 463 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [1,1,0,0,0,0|1,0,0]=3 464 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [1,1,0,0,0,0|2,0,0]=4 467 B9R1.163 NC(=O)C1(CCCC1)N Z1267881706 [1,1,0,0,0,0|2,0,0]=4 468 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [1,1,0,0,0,0|2,0,0]=4 469 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [1,1,0,0,0,0|1,0,0]=3 470 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [1,1,0,0,0,0|2,0,0]=4 471 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [1,1,0,0,0,0|2,0,0]=4 472 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [1,1,0,0,0,0|1,0,0]=3 473 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [1,1,0,0,0,0|2,0,0]=4 474 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [1,1,0,0,0,0|2,0,0]=4 475 B9R1.82 COC(=O)[C@@H]1CC(=O)N1 Z1198222336 [0,1,0,0,1,0|0,0,2]=4 476 B9R1.82 COC(=O)[C@H]1C[C@@H](C1)N Z1147473951 [0,1,0,0,1,0|1,0,0]=3 477 B9R1.95 CN[C@H]1C[C@H](C1)C(=O)O Z2681202678 [0,1,0,0,1,0|1,0,0]=3 478 B9R1.95 N#C[C@H]1C[C@@H](C1)C(=O)O Z4320204664 [0,1,0,0,1,0|1,0,0]=3 479 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,1,0,0,1,0|1,0,0]=3 480 B9R1.152 C=C1CC(C1)(N)C(=O)O Z4456650800 [0,1,0,0,1,0|1,0,1]=4 481 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,1,0,0,1,0|1,0,0]=3 482 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,1,0,0,1,0|1,0,0]=3 483 B9R1.152 NC1(CC(=O)C1)C(=O)O Z4578587092 [0,1,0,0,1,0|0,0,2]=4 484 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,1,0,0,1,0|1,0,0]=3 485 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,1,0,0,1,0|0,0,0]=2 486 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,1,0,0,1,0|1,0,0]=3 487 B9R1.164 CC1(CC(C1)C(=O)O)C Z1198158394 [0,1,0,0,1,0|1,0,0]=3 488 B9R1.164 CC1(CC(C1)C(=O)O)O Z1205497177 [0,1,0,0,1,0|0,0,0]=2 489 B9R1.164 O=C(O)C1CC(C1)(F)F Z316121458 [0,1,0,0,1,0|1,0,0]=3 490 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Z2786078634 [0,1,0,0,1,0|2,0,0]=4 491 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,0,1,0|2,0,0]=4 492 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,0,1,0|2,0,0]=4 493 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,1,0,0,1,0|1,0,0]=3 494 B11R1.3 CCC1CCC(NC1)C(=O)O Z4108992291 [0,1,0,0,0,1|1,0,0]=3 495 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O Z1201620833 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.3 COC1CCC(CC1)C(=O)O Z607808400 [0,1,0,0,0,1|1,0,0]=3 497 B11R1.3 CON1CCC(CC1)C(=O)O Z2412173102 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.3 NCC1CCC(CO1)C(=O)O Z4876522270 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.3 NC[C@@H]1CO[C@H](CO1)C(=O)O Z4954072342 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O Z1741970429 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.21 CC1CCC(CC1C)C(=O)O Z1250017822 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.21 CC1CCC(CC1N)C(=O)O Z1262537169 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.21 CC1CCC(NC1C)C(=O)O Z2350909288 [0,1,0,0,0,1|1,0,0]=3 504 B11R1.21 CN1CC(NCC1=O)C(=O)O Z3004727554 [0,1,0,0,0,1|0,0,2]=4 505 B11R1.21 C[C@@H]1CN[C@@H](C[C@@H]1C)C(=O)O Z4076052338 [0,1,0,0,0,1|1,0,0]=3 506 B11R1.21 NC1CC(CCC1O)C(=O)O Z4296875227 [0,1,0,0,0,1|1,0,0]=3 507 B11R1.21 O=C(O)[C@H]1C[C@@H]([C@@H](CO1)O)O Z3664725069 [0,1,0,0,0,1|1,0,0]=3 508 B11R1.22 COC(=O)C1CCC(CC1)N Z1270446306 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.22 COC(=O)C1CCC(CC1)O Z1201620516 [0,1,0,0,0,1|1,0,0]=3 510 B11R1.22 COC(=O)C1CCC(CN1)F Z4186160352 [0,1,0,0,0,1|1,0,0]=3 511 B11R1.22 COC(=O)C1CCC(CN1)O Z2867491134 [0,1,0,0,0,1|0,0,0]=2 512 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.22 COC(=O)N1CCC(CC1)O Z371627574 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.22 COC(=O)[C@@H]1CC[C@H](CN1)F Z4438428643 [0,1,0,0,0,1|1,0,0]=3 515 B11R1.22 COC(=O)[C@@H]1CN[C@H](CN1)C Z4824753667 [0,1,0,0,0,1|1,0,0]=3 516 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N Z1255361219 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N Z1255356909 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.166 CC1CNC(C(C1)C)C(=O)O Z3251990496 [0,1,0,0,0,1|1,0,0]=3 521 B11R1.166 CC1CNC(C(O1)C)C(=O)O Z2380417725 [0,1,0,0,0,1|1,0,0]=3 522 B11R1.166 CN1CC(CCC1C(=O)O)N Z4383496345 [0,1,0,0,0,1|1,0,0]=3 523 B11R1.166 C[C@H]1CNC([C@H](O1)C)C(=O)O Z4685707855 [0,1,0,0,0,1|1,0,0]=3 524 B11R1.220 CC1(CCC(CC1)O)C(=O)O Z1262526806 [0,1,0,0,0,1|1,0,0]=3 525 B11R1.220 CC1CCC(CC1)(N)C(=O)O Z317024836 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.220 NC1CCC(CC1)(N)C(=O)O Z1483956645 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.727 CC1(CCC(CC1)C(=O)O)C Z1227600825 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.727 CC1(CCC(CC1)C(=O)O)O Z1255462988 [0,1,0,0,0,1|1,0,0]=3 529 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.727 CC1(CNC(CO1)C(=O)O)C Z1255416501 [0,1,0,0,0,1|1,0,0]=3 531 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.727 C[C@@]1(CC[C@@H](CC1)C(=O)O)O Z1262519032 [0,1,0,0,0,1|1,0,0]=3 533 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)F Z3772394552 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.727 C[C@@]1(CC[C@H](CC1)C(=O)O)O Z1262516380 [0,1,0,0,0,1|1,0,0]=3 535 B11R1.727 O=C(O)C1CCS(=O)(=O)CN1 Z3353488989 [0,1,0,0,0,1|1,0,1]=4 536 B11R1.710 CC1(CNC(C1)CC(=O)O)C Z3186442614 [0,1,0,0,0,1|1,0,0]=3 537 B11R1.710 O=C(O)C[C@@H]1CC(CN1)(F)F Z4777922022 [0,1,0,0,0,1|1,0,0]=3 538 B11R1.23 COC(=O)C1CC(CCN1)C Z1723897915 [0,1,0,0,0,1|1,0,0]=3 539 B11R1.23 COC(=O)C1CCCC(C1)O Z1255439712 [0,1,0,0,0,1|1,0,0]=3 540 B11R1.23 COC(=O)C1CNCC(C1)O Z2418193698 [0,1,0,0,0,1|0,0,0]=2 541 B11R1.23 COC(=O)[C@@H]1CCC[C@H](C1)N Z2306922211 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.23 COC(=O)[C@@H]1CCN[C@@H](C1)C Z2309778197 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C Z2451443961 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C1)O Z3378261893 [0,1,0,0,0,1|0,0,0]=2 545 B11R1.74 CC1CC(CC(C1)C(=O)O)C Z1249998224 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.74 CC1CN(CC(O1)C(=O)O)C Z2512632675 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.74 CC1CS(=O)CC(N1)C(=O)O Z4053136472 [0,1,0,0,0,1|1,0,1]=4 548 B11R1.74 C[C@@H]1CN(C[C@@H](O1)C(=O)O)C Z2647353831 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.74 C[C@H]1CC(=O)N[C@H](C1)C(=O)O Z2311222788 [0,1,0,0,0,1|1,0,0]=3 550 B11R1.74 C[C@H]1CC(C[C@H](O1)C)C(=O)O Z2733317950 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C(=O)O)C Z2507795569 [0,1,0,0,0,1|1,0,0]=3 552 B11R1.74 C[C@H]1C[C@H](C[C@H](N1)C)C(=O)O Z2688995654 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.74 C[C@H]1C[C@H](C[C@H](O1)C)C(=O)O Z2894292333 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.159 O=C(O)[C@H]1NCC[C@H]([C@H]1O)O Z4130211458 [0,1,0,0,0,1|0,0,0]=2 555 B11R1.167 CC1CC(C(CN1)C)C(=O)O Z3214138136 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.266 CCC1CC(CCO1)C(=O)O Z1192344099 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.266 COC1CCCC(C1)C(=O)O Z1192182025 [0,1,0,0,0,1|1,0,0]=3 558 B11R1.266 COC1CCNC(C1)C(=O)O Z2768171860 [0,1,0,0,0,1|0,0,0]=2 559 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,1,0,0,0,1|0,0,0]=2 560 B11R1.266 N#CC1CCCC(C1)C(=O)O Z1515406065 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.266 N#C[C@H]1CCC[C@H](C1)C(=O)O Z4790589241 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.266 NCC1CC(CCO1)C(=O)O Z5712882945 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.667 CC1(CC(CCO1)N)C(=O)O Z2830783135 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.667 CC1CC(CCO1)(C)C(=O)O Z2690351087 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.667 CC1CC(CCO1)(N)C(=O)O Z3006084661 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.667 CC1CCCC(C1)(N)C(=O)O Z317024768 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.730 CC1(CC(CCN1)C(=O)O)C Z3717120914 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.730 CC1(CC(CCO1)C(=O)O)C Z1192344101 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,1,0,0,0,1|1,0,0]=3 571 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,1,0,0,0,1|1,0,0]=3 572 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.730 O=C(O)C1CC(CCN1)(F)F Z2311245126 [0,1,0,0,0,1|1,0,0]=3 574 B11R1.730 O=C(O)C1CCCC(C1)(F)F Z1222424911 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.730 O=C(O)C1CNCC(C1)(F)F Z3301405365 [0,1,0,0,0,1|1,0,0]=3 576 B11R1.730 O=C(O)C1CS(=O)(=O)CCN1 Z1762997260 [0,1,0,0,0,1|1,0,1]=4 577 B11R1.15 CCOC(=O)C1CCC(C1)N Z1431905466 [0,2,0,0,0,0|2,0,0]=4 578 B11R1.44 COC(=O)C1CC(CN1)OC Z1266933880 [0,2,0,0,0,0|0,0,0]=2 579 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)C=O Z3033510991 [0,2,0,0,0,0|1,0,1]=4 580 B11R1.225 COC(=O)C1CC(CN1C)O Z2940632313 [0,2,0,0,0,0|0,0,0]=2 581 B11R1.865 COC(=O)[C@@H]1NC[C@H]([C@H]1O)O Z4081402837 [0,2,0,0,0,0|0,0,0]=2 582 B11R1.866 CNC(=O)C1CC(CN1)(C)C Z5607959291 [0,2,0,0,0,0|2,0,0]=4 583 B11R1.866 COC(=O)C1CC(CN1)(C)C Z1509063438 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.866 COC(=O)C1CCC(C1)(F)F Z1551957673 [0,2,0,0,0,0|2,0,0]=4 585 B11R1.885 COC(=O)C1(CCC(C1)C)N Z3039443437 [0,2,0,0,0,0|2,0,0]=4 586 B11R1.175 CN(C)[C@@H]1CC[C@@H](C1)C(=O)O Z4129693343 [0,2,0,0,0,0|2,0,0]=4 587 B11R1.175 O=C(O)C1CCC(C1)C(=O)O Z274502046 [0,2,0,0,0,0|1,0,0]=3 588 B11R1.175 O=C(O)C1CCC(O1)C(=O)O Z1198155989 [0,2,0,0,0,0|2,0,0]=4 589 B11R1.175 O=C(O)[C@@H]1CC[C@@H](O1)C(=O)O Z1262511442 [0,2,0,0,0,0|2,0,0]=4 590 B11R1.175 O=C(O)[C@H]1CC[C@H](C1)C(=O)O Z1954802631 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.417 NC[C@]1(CC[C@@H](C1)C(=O)O)F Z3682735312 [0,2,0,0,0,0|2,0,0]=4 592 B11R1.417 NC[C@]1(CC[C@H](C1)C(=O)O)F Z3717955439 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.1229 CCC1CCC(C1)(O)C(=O)O Z381410914 [0,2,0,0,0,0|2,0,0]=4 594 B11R1.488 CN1CC(CC1C(=O)O)(C)C Z3325036964 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.738 CC1(CC(CN1)(F)F)C(=O)O Z2311245115 [0,2,0,0,0,0|1,0,0]=3 596 B9R1.5 CC1NCCCNC1=O Z1203829873 [0,0,1,1,0,0|2,0,0]=4 597 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,1,1,0,0|2,0,0]=4 598 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,1,1,0,0|2,0,0]=4 599 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,1,1,0,0|2,0,0]=4 600 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,1,1,0,0|2,0,0]=4 601 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,1,1,0,0|2,0,0]=4 602 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,1,1,0,0|2,0,0]=4 603 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,1,1,0,0|1,1,0]=4 604 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,1,1,0,0|1,0,1]=4 605 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,1,1,0,0|1,0,1]=4 606 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,1,1,0,0|2,0,0]=4 607 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,1,1,0,0|1,0,0]=3 608 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,1,1,0,0|2,0,0]=4 609 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,1,1,0,0|2,0,0]=4 610 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,1,1,0,0|1,0,0]=3 611 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,1,1,0,0|1,1,0]=4 612 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,1,1,0,0|2,0,0]=4 613 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,1,1,0,0|1,0,0]=3 614 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,1,1,0,0|0,0,0]=2 615 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,1,1,0,0|1,0,0]=3 616 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,1,1,0,0|1,1,0]=4 617 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,1,1,0,0|1,0,0]=3 618 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,0,1,1,0,0|2,0,0]=4 619 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,0,1,1,0,0|2,0,0]=4 620 B9R1.110 CC(C(=O)O)N1CCC1 Z2310732393 [0,0,1,1,0,0|1,0,0]=3 621 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,0,1,1,0,0|2,0,0]=4 622 B9R1.1 NCC1CNC(=O)CO1 Z3235039166 [0,0,1,1,0,0|2,0,0]=4 623 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,1,1,0,0|2,0,0]=4 624 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,1,1,0,0|1,0,0]=3 625 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,1,1,0,0|2,0,0]=4 626 B9R1.15 CNC1CCCNC1=O Z1795818556 [0,0,1,1,0,0|2,0,0]=4 627 B9R1.33 O=C1NCCC1CCO Z1203745921 [0,0,1,1,0,0|2,0,0]=4 628 B9R1.33 O=C1OCCN1CCO Z425795034 [0,0,1,1,0,0|2,0,0]=4 629 B9R1.119 CCC1(CCC1)C(=O)O Z1205494281 [0,0,1,1,0,0|2,0,0]=4 630 B9R1.119 CNC1(CCC1)C(=O)O Z2327124607 [0,0,1,1,0,0|1,0,0]=3 631 B9R1.119 COC1(CCC1)C(=O)O Z1592683230 [0,0,1,1,0,0|2,0,0]=4 632 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,0,1,1,0,0|2,0,0]=4 633 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,0,1,1,0,0|1,0,0]=3 634 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,0,1,1,0,0|2,0,0]=4 635 B9R1.169 CC1(CC1(N)C(=O)O)C Z3674952394 [0,0,1,1,0,0|1,0,0]=3 636 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,0,1,1,0,0|2,0,0]=4 637 B9R1.53 NC1CN(C1)CC(=O)O Z4201331449 [0,0,1,1,0,0|1,0,0]=3 638 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,0,1,1,0,0|2,0,0]=4 639 B9R1.66 CC1(CNCC(=O)N1)C Z2867580462 [0,0,1,1,0,0|2,0,0]=4 640 B9R1.85 O=C(O)CNCC1CC1 Z359505670 [0,0,1,1,0,0|1,0,0]=3 641 B9R1.85 O=C(O)COCC1CC1 Z332379290 [0,0,1,1,0,0|2,0,0]=4 642 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [1,0,0,1,0,0|2,0,0]=4 643 B9R2.39 O[C@@H]1C[C@H]2CN[C@@H]1C2 Z3288510014 [1,0,0,1,0,0|1,0,1]=4 644 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [1,0,0,1,0,0|2,0,0]=4 645 B9R2.59 O=CC1CC2CC1C2 Z4318223838 [1,0,0,1,0,0|2,0,0]=4 646 B9R2.61 O=CC12CCC(C1)C2 Z3626807045 [1,0,0,1,0,0|2,0,0]=4 647 B9R2.68 C1=CC2CC(C1)CN2 Z3688945570 [1,0,0,1,0,0|2,0,0]=4 648 B9R2.68 C1NC2COCC1C2 Z4789051337 [1,0,0,1,0,0|1,0,1]=4 649 B9R2.110 CC12CNC(C1)CO2 Z4775683870 [1,0,0,1,0,0|1,0,1]=4 650 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [1,0,0,1,0,0|2,0,0]=4 651 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [1,0,0,1,0,0|2,0,0]=4 652 B9R2.145 O=C(O)C12CC(C1)C2 Z1205493798 [0,0,0,1,1,0|1,0,0]=3 653 B11R2.696 CC12CCC(CC1)C(=O)O2 Z5185201929 [0,0,0,1,0,1|2,0,0]=4 654 B11R2.746 N[C@@H]1CC[C@]2([C@@H]1C2)C(=O)O Z4500873137 [0,0,0,1,0,1|2,0,0]=4 655 B11R2.839 O=C(O)C1CCC2CC2C1 Z1509040982 [0,0,0,1,0,1|2,0,0]=4 656 B11R2.1839 O=C(O)C12CCC(C1)CC2 Z1198162267 [0,0,0,1,0,1|2,0,0]=4 657 B11R2.1839 O=C(O)C12CCC(C1)CO2 Z3334129707 [0,0,0,1,0,1|2,0,0]=4 658 B11R2.139 NC1C[C@@H]2OC(=O)O[C@@H]2C1 Z3769318299 [0,0,0,1,0,1|2,0,0]=4 659 B11R2.434 N[C@@H]1C[C@@H]2C[C@H]1OC(=O)N2 Z4309645756 [0,0,0,1,0,1|2,0,0]=4 660 B11R2.845 O=C(O)C1CC2CCC1C2 Z147433488 [0,0,0,1,0,1|2,0,0]=4 661 B11R2.932 O=C(O)CC1CCC2C1C2 Z1509040790 [0,0,0,1,0,1|2,0,0]=4 662 B11R2.357 O=C1CCC2CCNC1C2 Z3013817851 [0,0,0,1,0,1|2,0,0]=4 663 B11R2.612 N[C@@H]1C[C@@H]([C@@H]2[C@H]1C2)C(=O)O Z2896140319 [0,0,0,1,0,1|2,0,0]=4 664 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,0,0,1,0,1|1,0,0]=3 665 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,0,0,1,0,1|1,0,0]=3 666 B11R2.60 O=C1OC[C@H]2N1CC[C@H]2O Z2784688050 [0,1,0,1,0,0|2,0,0]=4 667 B11R2.738 O=C1N[C@@H]2C[C@H]1[C@H]([C@H]2O)O Z3445282486 [0,1,0,1,0,0|2,0,0]=4 668 B11R2.911 COC(=O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3186446755 [0,1,0,1,0,0|1,0,0]=3 669 B11R2.914 COC(=O)C1CC2OC2C1 Z1255605740 [0,1,0,1,0,0|1,0,0]=3 670 B11R2.822 O=C(O)[C@@H]1NC[C@@H]2[C@H]1CC2 Z3484275452 [0,1,0,1,0,0|1,0,0]=3 671 B11R2.972 CO[C@@H]1C[C@@]2([C@H]1C2)C(=O)O Z3400577515 [0,1,0,1,0,0|1,0,0]=3 672 B11R2.1868 O=C(O)C1CC2(CC2)CO1 Z2432627355 [0,1,0,1,0,0|2,0,0]=4 673 B11R2.1868 O=C(O)C1CCC2(C1)CC2 Z1205498074 [0,1,0,1,0,0|2,0,0]=4 674 B11R2.840 NC12CC(C1)CC2C(=O)O Z5935014615 [0,1,0,1,0,0|2,0,0]=4 675 B11R2.2454 CC12CNC(C1)(C2)C(=O)O Z2517220205 [0,1,0,1,0,0|1,0,0]=3 676 B11R2.2454 O=C(O)C12CC(C1)(CO2)Cl Z5479974706 [0,1,0,1,0,0|2,0,0]=4 677 B11R2.820 NC1(CC2CC1C2)C(=O)O Z4896413827 [0,1,0,1,0,0|2,0,0]=4 678 B11R2.849 NC1(CCC2C1C2)C(=O)O Z3282783244 [0,1,0,1,0,0|2,0,0]=4 679 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [0,0,1,0,1,0|2,0,0]=4 680 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [0,0,1,0,1,0|2,0,0]=4 681 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [0,0,1,0,1,0|2,0,0]=4 682 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [0,0,1,0,1,0|2,0,0]=4 683 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [0,0,1,0,1,0|1,0,0]=3 684 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [0,0,1,0,1,0|2,0,0]=4 685 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [0,0,1,0,1,0|2,0,0]=4 686 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [0,0,1,0,1,0|1,0,0]=3 687 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [0,0,1,0,1,0|1,0,0]=3 688 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [0,0,1,0,1,0|2,0,0]=4 689 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [0,0,1,0,1,0|1,0,0]=3 690 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [0,0,1,0,1,0|0,0,0]=2 691 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [0,0,1,0,1,0|0,0,0]=2 692 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [0,0,1,0,1,0|0,0,0]=2 693 B7R1.10 C=C1CC(C1)C=O Z1486007751 [1,0,0,0,1,0|1,0,1]=4 694 B7R1.10 C=CC1CC(C1)N Z4052438501 [1,0,0,0,1,0|2,0,0]=4 695 B7R1.10 CNC1CC(C1)O Z1318186466 [1,0,0,0,1,0|2,0,0]=4 696 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [1,0,0,0,1,0|1,0,1]=4 697 B7R1.10 N[C@H]1C[C@H](C1)CO Z1203585248 [1,0,0,0,1,0|1,0,1]=4 698 B7R1.18 CC(O)C1CCC1 Z1198149695 [1,0,0,0,1,0|1,0,1]=4 699 B7R1.18 N=C(N)C1CCC1 Z1532540511 [1,0,0,0,1,0|2,0,0]=4 700 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,0,1,0|1,0,0]=3 701 B7R1.18 NC(=O)C1CNC1 Z2754447740 [1,0,0,0,1,0|2,0,0]=4 702 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,0,1,0|0,0,0]=2 703 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,0,1,0|0,0,0]=2 704 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,0,1,0|1,0,0]=3 705 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,0,1,0|1,0,0]=3 706 B7R1.12 CC(=O)C1CC1C Z1259336498 [0,0,0,0,2,0|2,0,0]=4 707 B7R1.12 CC1CC1C(=O)N Z33546780 [0,0,0,0,2,0|2,0,0]=4 708 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [0,0,0,0,2,0|1,0,0]=3 709 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [0,0,0,0,2,0|1,0,0]=3 710 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,0,1,0,0,1|0,0,0]=2 711 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,0,1,0,0,1|2,0,0]=4 712 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,0,1,0,0,1|2,0,0]=4 713 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,0,1,0,0,1|2,0,0]=4 714 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,0,1,0,0,1|2,0,0]=4 715 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,0,1,0,0,1|1,0,0]=3 716 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,0,1,0,0,1|2,0,0]=4 717 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,0,1,0,0,1|2,0,0]=4 718 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,0,1,0,0,1|2,0,0]=4 719 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,0,1,0,0,1|2,0,0]=4 720 B9R0.55 CC(N)CCCCC(=O)O Z1276446933 [0,0,1,0,0,1|2,0,0]=4 721 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [1,0,0,0,0,1|2,0,0]=4 722 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [1,0,0,0,0,1|2,0,0]=4 723 B9R1.2 O=CC1CCCC(C1)F Z1813182338 [1,0,0,0,0,1|2,0,0]=4 724 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,0,0,1|2,0,0]=4 725 B9R1.13 CC(=O)NC1CCCC1 Z32413858 [1,0,0,0,0,1|2,0,0]=4 726 B9R1.13 CC(O)CC1CCCN1 Z1203731942 [1,0,0,0,0,1|1,0,1]=4 727 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,0,0,1|2,0,0]=4 728 B9R1.13 NC(=O)CC1CCCN1 Z1459435572 [1,0,0,0,0,1|1,0,0]=3 729 B9R1.13 NC(=O)NC1CCCC1 Z56896930 [1,0,0,0,0,1|2,0,0]=4 730 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [1,0,0,0,0,1|1,0,1]=4 731 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,0,0,1|1,0,1]=4 732 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,0,0,1|1,0,0]=3 733 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,0,0,1|0,0,0]=2 734 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,0,0,1|2,0,0]=4 735 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,0,0,1|2,0,0]=4 736 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,0,0,1|2,0,0]=4 737 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [1,0,0,0,0,1|2,0,0]=4 738 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,0,0,1|1,0,0]=3 739 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,0,0,1|2,0,0]=4 740 B11R1.20 C[C@@H]1CO[C@H](CO1)CC(=O)O Z4905357119 [0,0,0,0,0,2|2,0,0]=4 741 B11R1.20 NC(=O)NC1CCC(CC1)O Z198194888 [0,0,0,0,0,2|2,0,0]=4 742 B11R1.20 NC1CCC(CC1)CC(=O)O Z3243726577 [0,0,0,0,0,2|2,0,0]=4 743 B11R1.20 N[C@H]1CC[C@@H](CC1)CC(=O)O Z1255418104 [0,0,0,0,0,2|2,0,0]=4 744 B11R1.20 O=C(O)CN1CCC(CC1)O Z744593184 [0,0,0,0,0,2|2,0,0]=4 745 B11R1.565 NC1CCCC(CC1)C(=O)O Z3478634516 [0,0,0,0,0,2|2,0,0]=4 746 B11R1.75 NC1CCC(C1)CCC(=O)O Z4390881825 [0,0,0,0,0,2|2,0,0]=4 747 B11R1.157 CC1CCCC(C1)CC(=O)O Z352783434 [0,0,0,0,0,2|2,0,0]=4 748 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,0,0,0,0,2|1,0,0]=3 749 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,0,0,0,0,2|2,0,0]=4 750 B11R1.157 NC1CCCC(C1)CC(=O)O Z5087190945 [0,0,0,0,0,2|2,0,0]=4 751 B11R1.157 NC1CCOC(C1)CC(=O)O Z4579787506 [0,0,0,0,0,2|2,0,0]=4 752 B11R1.157 O=C(O)CC1CCCC(C1)O Z1262524441 [0,0,0,0,0,2|1,0,0]=3