0 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,0,0,0,0,0|2,0,0]=2 1 B9R0.58 CCCS(=O)(=O)CC(=O)O Z295402416 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,0,0,0,0,0|3,0,0]=3 3 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,0,0,0,0,0|3,0,0]=3 4 B9R0.58 C[N+](C)(CCO)CC(=O)[O-] Z1198155437 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.58 NCCC(F)(F)CC(=O)O Z3821935122 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.58 O=C(O)CS(=O)(=O)CCO Z1251354695 [0,0,0,0,0,0|2,0,1]=3 7 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [1,0,0,0,0,0|1,0,0]=2 8 B8R0.5 CCC/C(=C/C(=O)O)/C Z352746820 [1,0,0,0,0,0|1,0,2]=4 9 B8R0.5 CCCC(C)CC(=O)O Z352782810 [1,0,0,0,0,0|1,0,0]=2 10 B8R0.5 CCCC(O)CC(=O)O Z982132146 [1,0,0,0,0,0|1,0,0]=2 11 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [1,0,0,0,0,0|2,0,0]=3 12 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [1,0,0,0,0,0|2,0,0]=3 13 B8R0.5 COCC(C)CC(=O)O Z992443864 [1,0,0,0,0,0|2,0,0]=3 14 B8R0.30 COCC(C)(N)CCO Z1258990600 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [1,0,0,0,0,0|1,0,2]=4 16 B8R0.34 CC(=O)NC(C)(C)CO Z68299519 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [1,0,0,0,0,0|2,0,1]=4 18 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.34 CC(C)(CO)CC(=N)N Z4074619777 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [1,0,0,0,0,0|1,0,0]=2 21 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [1,0,0,0,0,0|1,0,0]=2 22 B8R0.34 CCC(C)(C)OC(=O)C Z1198150536 [1,0,0,0,0,0|3,0,0]=4 23 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [1,0,0,0,0,0|2,0,1]=4 24 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [1,0,0,0,0,0|2,0,0]=3 25 B10R0.122 COCCS(=O)(=O)CC(=O)O Z295402406 [0,1,0,0,0,0|2,0,1]=4 26 B10R0.148 COC(=O)CC(F)(F)CCN Z3905515820 [0,1,0,0,0,0|3,0,0]=4 27 B10R0.148 COCC(C)(N)CC(=O)OC Z1335029314 [0,1,0,0,0,0|3,0,0]=4 28 B10R0.165 CC(C)(CC(=O)O)CC(=O)O Z104510054 [0,1,0,0,0,0|1,0,1]=3 29 B10R0.165 CN(C)CC(C)(C)CC(=O)O Z4325360477 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.165 O=C(O)CC(F)(F)CC(=O)O Z56827438 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.42 C#C[C@H]1[C@H](C1(C)C)C(=O)O Z4262879750 [0,0,0,1,0,0|2,0,1]=4 32 B10R1.42 CC1(C(C1C(=O)O)C=O)C Z1205493986 [0,0,0,1,0,0|1,0,2]=4 33 B10R1.42 CC1([C@H]([C@H]1C(=O)O)C#N)C Z3931768908 [0,0,0,1,0,0|2,0,1]=4 34 B10R1.42 NC[C@@H]1[C@H](C1(F)F)C(=O)O Z5592061989 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.128 CC1(CCC=C1C(=O)O)C Z1205498101 [0,0,0,1,0,0|2,0,1]=4 36 B10R1.128 CC1(CCCC1C(=O)O)C Z1205494169 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.128 CC1(CCNC1C(=O)O)C Z2301438439 [0,0,0,1,0,0|2,0,0]=3 38 B10R1.128 CC1(CNCC1C(=O)O)C Z1741975323 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.128 CC1(NCCC1C(=O)O)C Z3485881429 [0,0,0,1,0,0|3,0,0]=4 40 B10R1.128 CC1(OCCC1C(=O)O)C Z1205495057 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.128 C[C@]1(CCC[C@@H]1C(=O)O)N Z2306832357 [0,0,0,1,0,0|2,0,0]=3 42 B10R1.128 O=C(O)C1CCCC1(F)F Z1222424705 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.329 CC1(C[C@H](C[C@@H](C1)O)O)C Z4958450732 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.329 CC1=CC(CC(C1)(C)C)O Z104478472 [0,0,0,1,0,0|3,0,0]=4 45 B10R1.329 CC1CC(=O)CC(C1)(C)C Z104472308 [0,0,0,1,0,0|3,0,0]=4 46 B10R1.370 CC1(CCCC1)CC(=O)O Z1205494632 [0,0,0,1,0,0|2,0,0]=3 47 B10R1.370 NC1(CCCC1)CC(=O)O Z2301438513 [0,0,0,1,0,0|2,0,0]=3 48 B10R1.370 NC1(CCSC1)CC(=O)O Z1742242134 [0,0,0,1,0,0|1,1,0]=3 49 B10R1.370 O=C(O)CC1(CCCC1)O Z982131876 [0,0,0,1,0,0|1,0,0]=2 50 B10R1.444 CC1(CC(=O)NC1CN)C Z3014045964 [0,0,0,1,0,0|3,0,0]=4 51 B10R1.444 CC1(CC(=O)OC1CN)C Z3034848963 [0,0,0,1,0,0|2,0,0]=3 52 B10R1.444 CC1(NC(=O)OC1CN)C Z4620948858 [0,0,0,1,0,0|3,0,0]=4 53 B8R0.12 CC(C)(CCN)C(=O)O Z1198151185 [0,0,0,0,1,0|2,0,0]=3 54 B8R0.12 CC(C)(CCO)C(=O)[O-] Z2939606946 [0,0,0,0,1,0|1,0,1]=3 55 B8R0.12 CC(N)(CCF)C(=O)O Z2509305784 [0,0,0,0,1,0|2,0,0]=3 56 B8R0.12 CCCC(C)(C)C(=O)N Z1198157529 [0,0,0,0,1,0|3,0,0]=4 57 B8R0.12 CCCC(C)(N)C(=O)O Z317024732 [0,0,0,0,1,0|2,0,0]=3 58 B8R0.12 CCCC(C)(O)C(=O)O Z788000960 [0,0,0,0,1,0|1,0,0]=2 59 B8R0.12 CCNC(C)(C)C(=O)O Z1259161934 [0,0,0,0,1,0|3,0,0]=4 60 B8R0.12 COCC(C)(C)C(=O)O Z1198275672 [0,0,0,0,1,0|3,0,0]=4 61 B8R0.12 COCC(C)(N)C(=O)O Z1346385711 [0,0,0,0,1,0|3,0,0]=4 62 B8R0.12 COCC(C)(O)C(=O)O Z992448466 [0,0,0,0,1,0|2,0,0]=3 63 B8R0.12 CSCC(C)(C)C(=O)O Z1205494330 [0,0,0,0,1,0|3,0,0]=4 64 B8R0.12 NCCC(F)(F)C(=O)O Z2310718931 [0,0,0,0,1,0|3,0,0]=4 65 B10R0.105 CC(C)(CCN)CCC(=O)O Z1262246206 [0,0,0,0,0,1|2,0,0]=3 66 B7R0.2 CC(CN)CC(=O)O Z1436472873 [2,0,0,0,0,0|1,0,0]=3 67 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [2,0,0,0,0,0|0,0,2]=4 68 B7R0.2 CCC(C)CC(=O)O Z352782882 [2,0,0,0,0,0|0,0,0]=2 69 B7R0.2 CCC(C)NC(=O)N Z56979270 [2,0,0,0,0,0|2,0,0]=4 70 B7R0.2 CCC(N)CC(=O)O Z1708090940 [2,0,0,0,0,0|1,0,0]=3 71 B7R0.2 CCN(C)CC(=O)O Z1459897022 [2,0,0,0,0,0|1,0,0]=3 72 B7R0.2 CNC(C)CC(=O)N Z3070230004 [2,0,0,0,0,0|2,0,0]=4 73 B7R0.2 COC(C)CC(=O)O Z431536426 [2,0,0,0,0,0|1,0,0]=3 74 B7R0.2 NCC(O)CC(=O)O Z1255390571 [2,0,0,0,0,0|1,0,0]=3 75 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [2,0,0,0,0,0|1,0,0]=3 76 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [2,0,0,0,0,0|1,0,0]=3 77 B7R0.4 C=CCCCC(=O)O Z1205493561 [2,0,0,0,0,0|1,0,1]=4 78 B7R0.4 CC(=O)NCCCO Z353570744 [2,0,0,0,0,0|2,0,0]=4 79 B7R0.4 CCCCCC(=O)O Z104503532 [2,0,0,0,0,0|1,0,0]=3 80 B7R0.4 CCCNCC(=O)O Z744582718 [2,0,0,0,0,0|2,0,0]=4 81 B7R0.4 CCCOCC(=O)O Z406677750 [2,0,0,0,0,0|2,0,0]=4 82 B7R0.4 CCCSCC(=O)O Z228425458 [2,0,0,0,0,0|2,0,0]=4 83 B7R0.4 CCNCCC(=O)O Z1869802098 [2,0,0,0,0,0|2,0,0]=4 84 B7R0.4 CCOCCC(=O)O Z316258938 [2,0,0,0,0,0|2,0,0]=4 85 B7R0.4 CCSCCC(=O)O Z197206046 [2,0,0,0,0,0|2,0,0]=4 86 B7R0.4 CNCCCC(=O)O Z57043473 [2,0,0,0,0,0|2,0,0]=4 87 B7R0.4 COCCCC(=O)O Z316258912 [2,0,0,0,0,0|2,0,0]=4 88 B7R0.4 CSCCCC(=O)O Z54602911 [2,0,0,0,0,0|2,0,0]=4 89 B7R0.4 N#CCCCC(=O)O Z1198152304 [2,0,0,0,0,0|1,0,1]=4 90 B7R0.4 NC(=O)COCCO Z1198148880 [2,0,0,0,0,0|2,0,0]=4 91 B7R0.4 NC(=O)NCCCO Z198194722 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.4 NCCCCC(=O)N Z1639630947 [2,0,0,0,0,0|2,0,0]=4 93 B7R0.4 NCCCCC(=O)O Z271111992 [2,0,0,0,0,0|1,0,0]=3 94 B7R0.4 NCCNCC(=O)O Z2692249907 [2,0,0,0,0,0|2,0,0]=4 95 B7R0.4 NCCOCC(=O)O Z1650039500 [2,0,0,0,0,0|2,0,0]=4 96 B7R0.4 NCCSCC(=O)O Z1381287295 [2,0,0,0,0,0|2,0,0]=4 97 B7R0.4 O=C(O)CCCCBr Z104479696 [2,0,0,0,0,0|1,0,0]=3 98 B7R0.4 O=C(O)CCCCS Z808230828 [2,0,0,0,0,0|0,1,0]=3 99 B7R0.4 O=C(O)CNCCO Z425411352 [2,0,0,0,0,0|1,0,0]=3 100 B7R0.4 O=C([O-])CCCCO Z2335631573 [2,0,0,0,0,0|0,0,1]=3 101 B7R0.4 O=C([O-])COCCO Z1744715804 [2,0,0,0,0,0|1,0,1]=4 102 B7R0.7 CCCC(O)CCO Z1198158209 [2,0,0,0,0,0|1,0,1]=4 103 B7R0.11 C#CCC(C)(O)CC Z1098923702 [2,0,0,0,0,0|1,0,1]=4 104 B7R0.11 C=CCC(C)(C)CO Z1255384026 [2,0,0,0,0,0|2,0,0]=4 105 B7R0.11 CC(C)(CN)CCO Z1203583786 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.11 CC(C)(CO)CCN Z2234185673 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.11 CC(O)(CO)CCO Z1238572721 [2,0,0,0,0,0|0,0,0]=2 108 B7R0.11 CCC(C)(C)CCO Z1198160090 [2,0,0,0,0,0|1,0,1]=4 109 B7R0.11 CCCC(C)(N)CO Z734150846 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.11 OCCC(F)(F)CO Z1896514152 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [2,0,0,0,0,0|1,0,0]=3 113 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [2,0,0,0,0,0|1,0,0]=3 115 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [2,0,0,0,0,0|2,0,0]=4 116 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [2,0,0,0,0,0|1,0,0]=3 117 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [2,0,0,0,0,0|2,0,0]=4 118 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [2,0,0,0,0,0|0,0,0]=2 119 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [2,0,0,0,0,0|1,0,1]=4 121 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [2,0,0,0,0,0|2,0,0]=4 122 B9R0.4 C#CCCN(C)CC(=O)O Z1259273352 [1,1,0,0,0,0|2,0,0]=4 123 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [1,1,0,0,0,0|0,0,0]=2 124 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [1,1,0,0,0,0|1,0,0]=3 125 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [1,1,0,0,0,0|2,0,0]=4 126 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [1,1,0,0,0,0|1,0,0]=3 127 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [1,1,0,0,0,0|1,0,0]=3 128 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [1,1,0,0,0,0|2,0,0]=4 129 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [1,1,0,0,0,0|1,0,0]=3 130 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [1,1,0,0,0,0|2,0,0]=4 131 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [1,1,0,0,0,0|0,0,1]=3 132 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [1,1,0,0,0,0|2,0,0]=4 133 B9R0.53 CN(CC(=O)O)CC(=O)O Z119894774 [1,1,0,0,0,0|1,0,1]=4 134 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [1,1,0,0,0,0|0,0,1]=3 135 B9R0.11 CC(C)(CC(=O)O)C(F)F Z1934556434 [1,1,0,0,0,0|2,0,0]=4 136 B9R0.11 CC(N)(CC(=O)O)C(F)F Z3752641567 [1,1,0,0,0,0|2,0,0]=4 137 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [1,1,0,0,0,0|1,0,0]=3 138 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [1,1,0,0,0,0|0,0,1]=3 139 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [1,1,0,0,0,0|1,0,0]=3 140 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [1,1,0,0,0,0|1,0,0]=3 141 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [1,1,0,0,0,0|0,0,0]=2 142 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [1,1,0,0,0,0|1,0,0]=3 143 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,1,0,0,1,0|2,0,0]=4 144 B9R0.51 CC(C)(CCC#N)C(=O)O Z1205495852 [0,1,0,0,1,0|2,0,0]=4 145 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,0,0,1,0|2,0,0]=4 146 B9R0.51 CCCCC(C)(F)C(=O)O Z1508949719 [0,1,0,0,1,0|2,0,0]=4 147 B9R0.51 COCCC(C)(C)C(=O)O Z995179662 [0,1,0,0,1,0|1,0,0]=3 148 B11R0.210 CCC(C)(CC(=O)O)CC(=O)O Z104442530 [0,2,0,0,0,0|1,0,1]=4 149 B11R0.352 CCCC(O)(CCC)CC(=O)O Z982131968 [0,2,0,0,0,0|1,0,0]=3 150 B11R0.255 CC(C)(CC(=O)O)CC(=O)CN Z4131382001 [0,2,0,0,0,0|2,0,0]=4 151 B11R0.255 COC(=O)CC(C)(C)CC(=O)O Z1262511250 [0,2,0,0,0,0|1,0,1]=4 152 B9R1.7 CCCC1CNC(=O)C1 Z1201628058 [1,0,0,1,0,0|2,0,0]=4 153 B9R1.7 O=C1CC(CN1)CCO Z1504681971 [1,0,0,1,0,0|1,0,0]=3 154 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [1,0,0,1,0,0|2,0,0]=4 155 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [1,0,0,1,0,0|1,0,0]=3 156 B9R1.13 CC(O)CC1CCOC1 Z1322050500 [1,0,0,1,0,0|1,0,1]=4 157 B9R1.13 NC(=O)CC1CCCC1 Z33546662 [1,0,0,1,0,0|2,0,0]=4 158 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [1,0,0,1,0,0|1,0,1]=4 159 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [1,0,0,1,0,0|1,0,0]=3 160 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [1,0,0,1,0,0|2,0,0]=4 161 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [1,0,0,1,0,0|1,0,0]=3 162 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [1,0,0,1,0,0|0,0,0]=2 163 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [1,0,0,1,0,0|2,0,0]=4 164 B9R1.13 O=C(O)CN1CCCC1 Z197269292 [1,0,0,1,0,0|2,0,0]=4 165 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [1,0,0,1,0,0|1,0,0]=3 166 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [1,0,0,1,0,0|0,0,0]=2 167 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [1,0,0,1,0,0|1,0,0]=3 168 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [1,0,0,1,0,0|1,0,0]=3 169 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [1,0,0,1,0,0|2,0,0]=4 170 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [1,0,0,1,0,0|2,0,0]=4 171 B9R1.41 CN1CCCC1C(=O)O Z424762078 [1,0,0,1,0,0|2,0,0]=4 172 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [1,0,0,1,0,0|2,0,0]=4 173 B9R1.41 NC(=O)[C@H]1OCC[C@H]1N Z3719404582 [1,0,0,1,0,0|2,0,0]=4 174 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [1,0,0,1,0,0|1,0,0]=3 177 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [1,0,0,1,0,0|2,0,0]=4 178 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.53 NC(=O)CC1CC(C1)N Z2831568112 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [1,0,0,1,0,0|1,0,0]=3 183 B9R1.53 NC1CN(C1)CC(=O)O Z4201331449 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [1,0,0,1,0,0|1,0,0]=3 186 B9R1.59 CCOC1CC1C(=O)O Z432051730 [1,0,0,1,0,0|2,0,0]=4 187 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [1,0,0,1,0,0|1,0,0]=3 188 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [1,0,0,1,0,0|1,0,0]=3 189 B9R1.137 CN(CC(=O)O)C1CC1 Z409100214 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.137 O=C([O-])CC(O)C1CC1 Z3048907687 [1,0,0,1,0,0|1,0,1]=4 192 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.177 CCCC1(CC(=O)N1)C Z1238837566 [1,0,0,1,0,0|2,0,0]=4 194 B9R1.109 CC(C)(CC=O)C1CC1 Z2469947789 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.134 C=CCC1(CCOC1)N Z4052247632 [1,0,0,1,0,0|2,0,0]=4 196 B9R1.134 C=CCC1(CCOC1)O Z1341702029 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.134 CC1(OCCO1)CC=O Z1255425684 [1,0,0,1,0,0|2,0,0]=4 198 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.125 CC1(COC(=O)N1)CO Z1255419299 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.125 CCC1(CNC(=O)C1)C Z1203748294 [1,0,0,1,0,0|2,0,0]=4 201 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.128 NCC1(CC1)CC(=O)O Z2310723116 [1,0,0,1,0,0|2,0,0]=4 203 B9R1.128 O=C(O)CC1(CC1)CO Z1205656498 [1,0,0,1,0,0|1,0,0]=3 204 B9R1.128 O=C(O)CC1(CC1)CS Z1205493686 [1,0,0,1,0,0|1,1,0]=4 205 B9R1.139 CC1C(C1(F)F)C(=O)O Z1238543518 [1,0,0,1,0,0|2,0,0]=4 206 B9R1.146 CC1(CCS(=O)(=O)C1)O Z1095383021 [1,0,0,1,0,0|1,0,1]=4 207 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [1,0,0,1,0,0|1,0,0]=3 208 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [1,0,0,1,0,0|2,0,0]=4 209 B9R1.152 CC1(CC(C1)F)C(=O)O Z3211847948 [0,0,0,1,1,0|2,0,0]=4 210 B9R1.152 CC1CC(C1)(N)C(=O)O Z2856166804 [0,0,0,1,1,0|2,0,0]=4 211 B9R1.152 NC1(CC(C1)F)C(=O)O Z2724339187 [0,0,0,1,1,0|2,0,0]=4 212 B9R1.152 NC1(CC(C1)O)C(=O)O Z1255398009 [0,0,0,1,1,0|1,0,0]=3 213 B9R1.152 NC1CC(C1)(O)C(=O)O Z4445501853 [0,0,0,1,1,0|1,0,0]=3 214 B9R1.163 CC(=O)C1(CCCO1)C Z1389051490 [0,0,0,1,1,0|2,0,0]=4 215 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,0,0,1,1,0|2,0,0]=4 216 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,0,0,1,1,0|2,0,0]=4 217 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,0,0,1,1,0|1,0,0]=3 218 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,0,0,1,1,0|1,1,0]=4 219 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,0,0,1,1,0|2,0,0]=4 220 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,0,0,1,1,0|1,0,0]=3 221 B9R1.163 NC(=O)C1(CCCC1)O Z965048590 [0,0,0,1,1,0|2,0,0]=4 222 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,0,0,1,1,0|2,0,0]=4 223 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,0,0,1,1,0|2,0,0]=4 224 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,0,0,1,1,0|1,0,0]=3 225 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,0,0,1,1,0|1,1,0]=4 226 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,0,0,1,1,0|1,0,0]=3 227 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,0,0,1,1,0|1,0,0]=3 228 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,0,0,1,1,0|0,0,0]=2 229 B9R1.165 CC(C)(C(=O)O)C1CC1 Z1205494855 [0,0,0,1,1,0|2,0,0]=4 230 B9R1.165 CC(N)(C(=O)O)C1CC1 Z1250132714 [0,0,0,1,1,0|2,0,0]=4 231 B9R1.165 CC(O)(C(=O)O)C1CC1 Z788000400 [0,0,0,1,1,0|1,0,0]=3 232 B9R1.179 CCCC1(CC1)C(=O)O Z1205496166 [0,0,0,1,1,0|2,0,0]=4 233 B9R1.179 O=C(O)C1(CC1)CCO Z1321950923 [0,0,0,1,1,0|1,0,0]=3 234 B11R1.713 CC(=O)NCC1(CCCC1)O Z1203329531 [0,0,0,1,0,1|2,0,0]=4 235 B11R1.713 NC1(CCCC1)CCC(=O)O Z3085811385 [0,0,0,1,0,1|2,0,0]=4 236 B11R1.713 NC1(CCOC1)CCC(=O)O Z2941795757 [0,0,0,1,0,1|1,0,0]=3 237 B11R1.730 CC1(CCCC(C1)C(=O)O)C Z1229795777 [0,0,0,1,0,1|2,0,0]=4 238 B11R1.730 CC1(CCCC(O1)C(=O)O)C Z1836444615 [0,0,0,1,0,1|2,0,0]=4 239 B11R1.730 CC1(CCNC(C1)C(=O)O)C Z2306604258 [0,0,0,1,0,1|2,0,0]=4 240 B11R1.928 CC1(CCCCC1)CC(=O)O Z1255466882 [0,1,0,1,0,0|2,0,0]=4 241 B11R1.928 CC1(CCNCC1)CC(=O)O Z5590137993 [0,1,0,1,0,0|2,0,0]=4 242 B11R1.928 NC(=O)CC1(CCOCC1)N Z1335657666 [0,1,0,1,0,0|2,0,0]=4 243 B11R1.928 NC1(CCCCC1)CC(=O)O Z1741975256 [0,1,0,1,0,0|2,0,0]=4 244 B11R1.928 NC1(CCNCC1)CC(=O)O Z1624323979 [0,1,0,1,0,0|2,0,0]=4 245 B11R1.928 NC1(CCOCC1)CC(=O)O Z2255110164 [0,1,0,1,0,0|1,0,0]=3 246 B11R1.928 O=C(O)CC1(CCCCC1)O Z982131964 [0,1,0,1,0,0|1,0,0]=3 247 B11R1.928 O=C(O)CC1(CCNCC1)O Z3488912123 [0,1,0,1,0,0|1,0,0]=3 248 B11R1.928 O=C(O)CC1(CCOCC1)O Z982132196 [0,1,0,1,0,0|0,0,0]=2 249 B11R1.177 CC1(CCCCC1C(=O)O)C Z1262514811 [0,1,0,1,0,0|2,0,0]=4 250 B11R1.177 CC1(CCCCC1C(=O)O)N Z1494770337 [0,1,0,1,0,0|2,0,0]=4 251 B11R1.177 CC1(CCCNC1C(=O)O)C Z1925929976 [0,1,0,1,0,0|2,0,0]=4 252 B11R1.177 CC1(CCNCC1C(=O)O)C Z3069013028 [0,1,0,1,0,0|2,0,0]=4 253 B11R1.177 CC1(OCCNC1C(=O)O)C Z4497435109 [0,1,0,1,0,0|2,0,0]=4 254 B11R1.177 O=C(O)C1COCCC1(F)F Z2732491487 [0,1,0,1,0,0|2,0,0]=4 255 B11R1.1386 CC1(CCCC1(N)C(=O)O)C Z1198173988 [0,1,0,1,0,0|2,0,0]=4 256 B11R1.724 CC(N)(CC(=O)O)C1CCC1 Z4168273208 [0,1,0,1,0,0|2,0,0]=4 257 B11R1.38 CC1(NC(=O)COC1CO)C Z3358024454 [0,1,0,1,0,0|2,0,0]=4 258 B11R1.864 COC(=O)CC(C)(N)C1CC1 Z2724339184 [0,1,0,1,0,0|2,0,0]=4 259 B11R1.895 COC(=O)CC1(CCCC1)N Z1925930162 [0,1,0,1,0,0|2,0,0]=4 260 B11R1.1249 COCC1(OC1C(=O)OC)C Z1268605973 [0,1,0,1,0,0|2,0,0]=4 261 B11R1.732 CC1([C@H]([C@H]1C(=O)O)C(=O)O)C Z1198166016 [0,1,0,1,0,0|1,0,1]=4 262 B11R1.1413 CC1(CC(C1)(F)F)CC(=O)O Z4582191512 [0,1,0,1,0,0|2,0,0]=4 263 B11R2.840 NC12CC(C1)CC2C(=O)O Z5935014615 [0,0,0,2,0,0|2,0,0]=4 264 B11R2.1671 OC1(CCOC1)CC2CO2 Z2689606476 [0,0,0,2,0,0|1,0,1]=4 265 B11R2.706 NC1CC2(C1)CC2C(=O)O Z3399257122 [0,0,0,2,0,0|2,0,0]=4 266 B11R2.747 O=C1CC2(CN1)CC(C2)O Z3023349819 [0,0,0,2,0,0|2,0,0]=4 267 B11R2.141 O=C(O)C1CC12CCCC2 Z979743296 [0,0,0,2,0,0|2,0,0]=4 268 B11R2.141 O=C(O)C1CC12CCNC2 Z2311216937 [0,0,0,2,0,0|2,0,0]=4 269 B11R2.141 O=C(O)C1CC12CCOC2 Z1124555735 [0,0,0,2,0,0|1,0,0]=3 270 B11R2.748 O=C1CC2(CCOC2)CN1 Z1270255830 [0,0,0,2,0,0|2,0,0]=4 271 B11R2.748 O=C1COC2(C1)CCNC2 Z3772311240 [0,0,0,2,0,0|2,0,0]=4 272 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,0,0,1,0|1,0,0]=3 273 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,0,0,1,0|1,0,0]=3 274 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,0,0,1,0|2,0,0]=4 275 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,0,0,1,0|2,0,0]=4 276 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,0,0,1,0|2,0,0]=4 277 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,0,0,1,0|2,0,0]=4 278 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,0,0,1,0|2,0,0]=4 279 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,0,0,1,0|2,0,0]=4 280 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,0,0,1,0|2,0,0]=4 281 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,0,0,1,0|2,0,0]=4 282 B7R0.5 NC(CCF)C(=O)O Z2470036329 [1,0,0,0,1,0|2,0,0]=4 283 B7R0.5 NC(CCO)C(=O)O Z234896487 [1,0,0,0,1,0|1,0,0]=3 284 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,0,0,1,0|2,0,0]=4 285 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,0,0,1,0|2,0,0]=4 286 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,0,0,1,0|1,0,0]=3 287 B7R0.5 N[C@@H](CCO)C(=O)O Z1172369006 [1,0,0,0,1,0|1,0,0]=3 288 B7R0.5 N[C@H](CCO)C(=O)O Z608345098 [1,0,0,0,1,0|1,0,0]=3 289 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [1,0,0,0,1,0|0,0,2]=4 290 B7R0.13 CC(=O)C(C)(C)CO Z1216812592 [1,0,0,0,1,0|2,0,0]=4 291 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [1,0,0,0,1,0|2,0,0]=4 292 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [1,0,0,0,1,0|2,0,0]=4 293 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [1,0,0,0,1,0|2,0,0]=4 294 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [1,0,0,0,1,0|1,0,0]=3 295 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [1,0,0,0,1,0|2,0,0]=4 296 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [1,0,0,0,1,0|1,0,0]=3 297 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [1,0,0,0,1,0|0,0,0]=2 298 B7R0.13 CC(O)C(C)(O)CO Z1896353165 [1,0,0,0,1,0|1,0,1]=4 299 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [1,0,0,0,1,0|1,0,0]=3 300 B7R0.13 CCC(C)(C)C(=O)N Z995039228 [1,0,0,0,1,0|2,0,0]=4 301 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [1,0,0,0,1,0|1,0,0]=3 302 B7R0.13 CCC(C)(N)C(=O)N Z992716994 [1,0,0,0,1,0|2,0,0]=4 303 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [1,0,0,0,1,0|1,0,0]=3 304 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [1,0,0,0,1,0|0,0,0]=2 305 B7R0.13 CNC(C)(C)C(=O)O Z2381576028 [1,0,0,0,1,0|2,0,0]=4 306 B7R0.13 COC(C)(C)C(=O)O Z803492148 [1,0,0,0,1,0|2,0,0]=4 307 B7R0.13 CSC(C)(C)C(=O)O Z803544000 [1,0,0,0,1,0|2,0,0]=4 308 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [1,0,0,0,0,1|2,0,0]=4 309 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [1,0,0,0,0,1|1,0,0]=3 310 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [1,0,0,0,0,1|2,0,0]=4 311 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [1,0,0,0,0,1|2,0,0]=4 312 B9R0.64 CC(C)(CO)CCC(=O)[O-] Z4539765468 [1,0,0,0,0,1|1,0,1]=4 313 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [1,0,0,0,0,1|1,0,0]=3