0 B7R0.2 CC(=O)CC(C)C#N Z1258995681 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.2 CC(C)CC(N)CN Z425861052 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.2 CC(C)CC(O)CN Z1259162114 [0,0,0,0,0,0|2,0,1]=3 3 B7R0.2 CC(CN)CC(=O)O Z1436472873 [0,0,0,0,0,0|1,0,0]=1 4 B7R0.2 CC(CN)CC(F)F Z2379696713 [0,0,0,0,0,0|3,0,1]=4 5 B7R0.2 CC(CN)CN(C)C Z406338972 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.2 CC(O)CC(C)CN Z1245536559 [0,0,0,0,0,0|2,0,1]=3 7 B7R0.2 CC/C(=C/C(=O)O)/C Z2583321519 [0,0,0,0,0,0|2,0,2]=4 8 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [0,0,0,0,0,0|2,0,2]=4 9 B7R0.2 CCC(C)CC(=O)O Z352782882 [0,0,0,0,0,0|2,0,0]=2 10 B7R0.2 CCC(C)NC(=O)N Z56979270 [0,0,0,0,0,0|4,0,0]=4 11 B7R0.2 CCC(N)CC(=O)O Z1708090940 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.2 CCN(C)CC(=O)O Z1459897022 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.2 CN(C)CC(O)CN Z270894906 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.2 CN(CC(=O)O)N=O Z1198151307 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.2 CNC(=O)CC(=O)O Z963467722 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.2 CNC(C)CC(=O)N Z3070230004 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.2 COC(C)CC(=O)O Z431536426 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.2 NCC(O)CC(=O)O Z1255390571 [0,0,0,0,0,0|0,0,0]=0 19 B7R0.2 NC[C@@H](O)CC(=O)O Z1203578293 [0,0,0,0,0,0|0,0,0]=0 20 B7R0.2 NC[C@H](O)CC(=O)O Z1198160294 [0,0,0,0,0,0|0,0,0]=0 21 B6R0.1 C#CCC(O)CN Z2491498074 [1,0,0,0,0,0|1,0,1]=3 22 B6R0.1 C=CCC(N)CC Z1981870426 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 C=CCC(N)CO Z1815149150 [1,0,0,0,0,0|3,0,0]=4 24 B6R0.1 C=CCC(O)CC Z808662120 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.1 CC(CN)CCO Z1203581915 [1,0,0,0,0,0|1,0,1]=3 26 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.1 CCC(O)CCN Z406342052 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.1 CCC(O)CCO Z1198157972 [1,0,0,0,0,0|1,0,1]=3 29 B6R0.1 CCCC(N)CN Z425861040 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.1 CCCC(O)CN Z419084742 [1,0,0,0,0,0|1,0,1]=3 31 B6R0.1 CNC[C@H](O)CO Z600533638 [1,0,0,0,0,0|3,0,0]=4 32 B6R0.1 COCC(N)CN Z1203580237 [1,0,0,0,0,0|3,0,0]=4 33 B6R0.1 COCC(O)CN Z271097108 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.1 CSCC(C)CN Z732208434 [1,0,0,0,0,0|3,0,0]=4 35 B6R0.1 CSCC(O)CO Z1126770422 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,0,0,0,0,0|2,0,1]=4 37 B6R0.2 C/C(=C/C(=O)O)/I Z1508917269 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.2 C=C(C)CC(=O)O Z295890066 [1,0,0,0,0,0|1,0,1]=3 39 B6R0.2 CC(=CC(=O)O)C Z104480144 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.2 CC(=O)CC(C)N Z57329385 [1,0,0,0,0,0|2,0,0]=3 41 B6R0.2 CC(C)CB(O)O Z1098324138 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.2 CC(C)CC(=N)N Z1346385639 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.2 CC(C)CC(=O)N Z33546511 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.2 CC(C)CC(=O)O Z104474910 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.2 CC(C)NC(=O)N Z56887677 [1,0,0,0,0,0|3,0,0]=4 46 B6R0.2 CC(N)CC(=O)N Z594220690 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.2 CC(N)CC(=O)O Z147647144 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.2 CC(N)CS(=O)C Z1238793449 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.2 CN(C)CC(=O)N Z54750057 [1,0,0,0,0,0|3,0,0]=4 50 B6R0.2 CN(C)CC(=O)O Z235580496 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.2 CS(=O)CC(=O)N Z1203581973 [1,0,0,0,0,0|2,0,1]=4 52 B6R0.2 C[C@H](N)CC(=O)O Z1741969208 [1,0,0,0,0,0|1,0,0]=2 53 B6R0.2 N=C(N)CC(=O)N Z104480060 [1,0,0,0,0,0|2,0,1]=4 54 B6R0.2 NC(=O)CC(=O)N Z104473780 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.2 NC(=O)CC(=O)O Z963467736 [1,0,0,0,0,0|0,0,2]=3 56 B6R0.2 O=C(O)CC(=O)O Z57965450 [1,0,0,0,0,0|1,0,1]=3 57 B6R0.4 C#CCCC(=O)O Z295890062 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.4 C=CCCC(=O)C Z406376894 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.4 C=CCCC(=O)O Z995028722 [1,0,0,0,0,0|1,0,1]=3 60 B6R0.4 CC(=O)CCC#N Z1251352415 [1,0,0,0,0,0|1,0,2]=4 61 B6R0.4 CC(=O)NCCCl Z57983106 [1,0,0,0,0,0|3,0,0]=4 62 B6R0.4 CC(=O)OCCN Z1973465551 [1,0,0,0,0,0|2,0,0]=3 63 B6R0.4 CC(C)CCCN Z992716898 [1,0,0,0,0,0|2,0,1]=4 64 B6R0.4 CC(N)CCCN Z2230911100 [1,0,0,0,0,0|2,0,1]=4 65 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|1,0,1]=3 66 B6R0.4 CC/C=C/C(=O)O Z2311573931 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.4 CCC#CC(=O)O Z1205493735 [1,0,0,0,0,0|1,0,2]=4 68 B6R0.4 CCCCB(O)O Z1147227739 [1,0,0,0,0,0|2,0,1]=4 69 B6R0.4 CCCCC(=N)N Z1723418909 [1,0,0,0,0,0|3,0,0]=4 70 B6R0.4 CCCCC(=O)N Z104476278 [1,0,0,0,0,0|2,0,0]=3 71 B6R0.4 CCCCC(=O)O Z104473312 [1,0,0,0,0,0|1,0,0]=2 72 B6R0.4 CCCNC(=O)C Z33030314 [1,0,0,0,0,0|3,0,0]=4 73 B6R0.4 CCCOC(=O)N Z1198148877 [1,0,0,0,0,0|3,0,0]=4 74 B6R0.4 CCNCC(=O)N Z1459435506 [1,0,0,0,0,0|3,0,0]=4 75 B6R0.4 CCNCC(=O)O Z744593094 [1,0,0,0,0,0|2,0,0]=3 76 B6R0.4 CCOCC(=O)O Z104495232 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.4 CNCCC(=O)C Z1536943318 [1,0,0,0,0,0|3,0,0]=4 78 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|3,0,0]=4 79 B6R0.4 COCCC(=O)N Z394696458 [1,0,0,0,0,0|3,0,0]=4 80 B6R0.4 COCCC(=O)O Z285184634 [1,0,0,0,0,0|2,0,0]=3 81 B6R0.4 CSCCC(=O)O Z54719251 [1,0,0,0,0,0|2,0,0]=3 82 B6R0.4 N#CCCC(=O)N Z57160408 [1,0,0,0,0,0|1,0,2]=4 83 B6R0.4 N=C(N)NCCN Z2235813444 [1,0,0,0,0,0|3,0,0]=4 84 B6R0.4 NC(=O)CCCO Z1203578394 [1,0,0,0,0,0|2,0,0]=3 85 B6R0.4 NC(=O)NCCF Z1203582184 [1,0,0,0,0,0|3,0,0]=4 86 B6R0.4 NC(=O)OCCO Z1198158440 [1,0,0,0,0,0|3,0,0]=4 87 B6R0.4 NCCCC(=O)N Z398513418 [1,0,0,0,0,0|1,0,0]=2 88 B6R0.4 NCCCC(=O)O Z104475620 [1,0,0,0,0,0|0,0,0]=1 89 B6R0.4 NCCCC(F)F Z1198165810 [1,0,0,0,0,0|2,0,1]=4 90 B6R0.4 NCCCS(=O)O Z1203579399 [1,0,0,0,0,0|1,0,0]=2 91 B6R0.4 NCCNC(=O)N Z1268152381 [1,0,0,0,0,0|2,0,0]=3 92 B6R0.4 NCCOC(=O)N Z1587257433 [1,0,0,0,0,0|2,0,0]=3 93 B6R0.4 O=C(O)/C=C/CO Z3178016098 [1,0,0,0,0,0|1,0,2]=4 94 B6R0.4 O=C(O)C#CCO Z1198169479 [1,0,0,0,0,0|1,0,2]=4 95 B6R0.4 O=C(O)CCCS Z147642510 [1,0,0,0,0,0|1,0,0]=2 96 B8R0.2 C=CC(C)C(C)C(=O)O Z1205494257 [0,1,0,0,0,0|2,0,1]=4 97 B8R0.2 CC(CN)C(F)C(=O)O Z3556611783 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.2 CCC(C)C(=O)C(=O)O Z1205493610 [0,1,0,0,0,0|2,0,1]=4 99 B8R0.2 CCC(C)C(C)C(=O)O Z792363910 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.2 CCC(C)C(N)C(=O)N Z56979347 [0,1,0,0,0,0|3,0,0]=4 101 B8R0.2 CCC(C)C(N)C(=O)O Z104473608 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O Z1203578023 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O Z1203578040 [0,1,0,0,0,0|2,0,0]=3 104 B8R0.2 CC[C@@H](O)[C@@H](C)C(=O)O Z1205494177 [0,1,0,0,0,0|1,0,0]=2 105 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O Z1201618644 [0,1,0,0,0,0|2,0,0]=3 106 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O Z756427442 [0,1,0,0,0,0|2,0,0]=3 107 B8R0.2 COC(C)C(O)C(=O)O Z1509040637 [0,1,0,0,0,0|3,0,0]=4 108 B8R0.2 CSC(C)C(N)C(=O)O Z4511736963 [0,1,0,0,0,0|3,0,0]=4 109 B8R0.2 CSC(C)C(O)C(=O)O Z2787457174 [0,1,0,0,0,0|3,0,0]=4 110 B8R0.2 NC[C@@H](O)[C@@H](O)C(=O)O Z3270796459 [0,1,0,0,0,0|0,0,0]=1 111 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.5 CCCC(C)CC(=O)O Z352782810 [0,1,0,0,0,0|2,0,0]=3 113 B8R0.5 CCCC(O)CC(=O)O Z982132146 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.5 CCCN(C)CC(=O)O Z1259273358 [0,1,0,0,0,0|3,0,0]=4 115 B8R0.5 CCNC(C)CC(=O)O Z1259161935 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.5 CNCC(O)CN(C)C Z330820128 [0,1,0,0,0,0|3,0,0]=4 117 B8R0.5 COCC(C)CC(=O)O Z992443864 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.16 CC(=O)NC(CO)CO Z1203731713 [0,1,0,0,0,0|3,0,0]=4 119 B8R0.16 CC(C)CC(CN)CO Z1945704754 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.16 CCC(CC)CC(=O)O Z352782266 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.16 CCC(CN)CC(=O)O Z1436181093 [0,1,0,0,0,0|1,0,0]=2 122 B8R0.16 CCN(CC)CC(=O)O Z1250132725 [0,1,0,0,0,0|3,0,0]=4 123 B8R0.16 COC(CN)CC(=O)O Z1827898018 [0,1,0,0,0,0|0,0,0]=1 124 B8R0.16 COC(CN)CC(C)C Z1270207720 [0,1,0,0,0,0|2,0,1]=4 125 B8R0.19 COC(=O)CC(C)SC Z732206678 [0,1,0,0,0,0|3,0,0]=4 126 B8R0.23 CC(C)C(C)CC(=O)O Z234897253 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.23 CC(C)C(N)CC(=O)O Z975823290 [0,1,0,0,0,0|2,0,0]=3 128 B8R0.23 CC(C)N(C)CC(=O)O Z763366300 [0,1,0,0,0,0|3,0,0]=4 129 B8R0.23 CC(CC(=O)O)C(=O)N Z1203579878 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.23 CC(CC(=O)O)N(C)C Z431539982 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.23 CN(CC(=O)O)C(=N)N Z1203577925 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.23 CN(CC(=O)O)C(=O)N Z126513734 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.23 NC(=O)[C@@H](N)CC(=O)O Z1198149443 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.23 NC(CC(=O)O)C(=O)O Z104474760 [0,1,0,0,0,0|2,0,1]=4 135 B8R0.23 N[C@@H](CC(=O)O)C(=O)O Z995084132 [0,1,0,0,0,0|2,0,1]=4 136 B8R0.23 N[C@H](CC(=O)O)C(=O)O Z1079451886 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.23 O=C(O)CC(O)C(=O)O Z104473230 [0,1,0,0,0,0|1,0,1]=3 138 B8R0.23 O=C(O)CC(S)C(=O)O Z104478826 [0,1,0,0,0,0|1,1,1]=4 139 B8R0.23 O=C(O)C[C@@H](O)C(=O)O Z1205493568 [0,1,0,0,0,0|1,0,1]=3 140 B8R0.23 O=C(O)C[C@H](O)C(=O)O Z1201618618 [0,1,0,0,0,0|1,0,1]=3 141 B8R0.24 CC(C)(C)CC(O)CN Z1041195378 [0,1,0,0,0,0|2,0,1]=4 142 B8R0.24 CS(=O)(=O)CC(O)CN Z2894584124 [0,1,0,0,0,0|1,0,1]=3 143 B8R0.24 NCC(O)CC(F)(F)F Z3244598407 [0,1,0,0,0,0|2,0,1]=4 144 B8R0.24 O=S(=O)(O)CC(O)CO Z1896291473 [0,1,0,0,0,0|2,0,0]=3 145 B8R0.34 C=CC(C)(C)CC(=O)O Z1198162637 [0,1,0,0,0,0|2,0,1]=4 146 B8R0.34 CC(C)(C#N)CC(=O)O Z1205494237 [0,1,0,0,0,0|1,0,2]=4 147 B8R0.34 CC(C)(CN)CC(=O)O Z1723849148 [0,1,0,0,0,0|1,0,0]=2 148 B8R0.34 CC(O)(CN)CC(=O)O Z2379087949 [0,1,0,0,0,0|0,0,0]=1 149 B8R0.34 CC(O)CC(C)(C)CN Z1259162049 [0,1,0,0,0,0|2,0,1]=4 150 B8R0.34 CCC(C)(C)CC(=O)O Z1198160089 [0,1,0,0,0,0|2,0,0]=3 151 B8R0.34 CCS(=O)(=O)CC(=O)O Z295402464 [0,1,0,0,0,0|2,0,1]=4 152 B8R0.34 CN(C)CC(C)(O)CN Z1250164252 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.34 COC(C)(C)CC(=O)O Z1205494411 [0,1,0,0,0,0|3,0,0]=4 154 B8R1.1 CC1=NOC(C1)CN Z2235810232 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [0,0,0,1,0,0|3,0,0]=4 156 B8R1.1 NCC1=NC(=O)ON1 Z1497158708 [0,0,0,1,0,0|2,0,1]=4 157 B8R1.1 NCC1CC(=NO1)Cl Z4371346417 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,0,0,1,0,0|3,0,0]=4 159 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,0,0,1,0,0|3,0,0]=4 160 B8R1.1 NCC1CNC(=O)O1 Z2028214442 [0,0,0,1,0,0|3,0,0]=4 161 B8R1.1 NCC1COC(=O)C1 Z1262663655 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.1 NCC1COC(=O)O1 Z3474887077 [0,0,0,1,0,0|2,0,0]=3 164 B8R1.1 NC[C@H]1COC(=O)O1 Z3951135907 [0,0,0,1,0,0|2,0,0]=3 165 B8R1.1 O=C1CC(CN1)CO Z1201625841 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.1 O=C1N[C@H](CO1)CO Z1203731623 [0,0,0,1,0,0|3,0,0]=4 167 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.4 CC1CNCC(C1)O Z2255082098 [0,0,0,1,0,0|2,0,1]=4 171 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,0,0,1,0,0|3,0,0]=4 172 B8R1.4 C[C@@H]1CNC[C@@H](C1)O Z2301535259 [0,0,0,1,0,0|2,0,1]=4 173 B8R1.4 C[C@@H]1CNC[C@H](C1)O Z4073561603 [0,0,0,1,0,0|2,0,1]=4 174 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,0,0,1,0,0|2,0,1]=4 175 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.4 O[C@@H]1CNC[C@@H](C1)F Z2525157521 [0,0,0,1,0,0|2,0,1]=4 177 B8R1.4 O[C@@H]1CNC[C@@H](C1)O Z1310777672 [0,0,0,1,0,0|1,0,1]=3 178 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,0|3,0,0]=4 179 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,0,0,1,0,0|1,0,1]=3 180 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.31 O=C(O)C1CCC1F Z2035936452 [0,0,0,1,0,0|2,0,0]=3 182 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.34 CC(=O)NC1CNC1 Z1198175578 [0,0,0,1,0,0|3,0,0]=4 184 B8R1.34 NC(=O)CC1CNC1 Z1459435453 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.34 O=C(O)CC1CCC1 Z1115947835 [0,0,0,1,0,0|2,0,0]=3 186 B8R1.34 O=C(O)CN1CCC1 Z1255373566 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O Z2235790965 [0,0,0,1,0,0|2,0,0]=3 189 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O Z2310010920 [0,0,0,1,0,0|1,0,2]=4 190 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O Z2310010923 [0,0,0,1,0,0|1,0,2]=4 191 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.43 O=C([O-])[C@@H]1C[C@H]1CO Z3717749370 [0,0,0,1,0,0|2,0,1]=4 193 B8R1.43 O=C[C@@H]1C[C@H]1C(=O)O Z3664810585 [0,0,0,1,0,0|2,0,1]=4 194 B8R1.43 O=C[C@H]1C[C@H]1C(=O)O Z2944291920 [0,0,0,1,0,0|2,0,1]=4 195 B8R1.51 CC1CNS(=O)(=O)C1 Z1575095016 [0,0,0,1,0,0|2,0,1]=4 196 B8R1.51 O=S1(=O)CCC(C1)O Z57161902 [0,0,0,1,0,0|2,0,1]=4 197 B8R1.62 CC1(CC(=O)N1)CCl Z1205659152 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.62 CC1(CC(=O)N1)CN Z2697159297 [0,0,0,1,0,0|2,0,0]=3 199 B8R1.67 C[C@@H]1C([C@@H]1C)C(=O)O Z3243444186 [0,0,0,1,0,0|2,0,0]=3 200 B6R0.3 C=CC(N)C(=O)O Z3244810526 [0,0,0,0,1,0|2,0,1]=4 201 B6R0.3 CC(C#N)C(=O)O Z852759720 [0,0,0,0,1,0|1,0,2]=4 202 B6R0.3 CC(C)C(O)CN Z1255523288 [0,0,0,0,1,0|2,0,1]=4 203 B6R0.3 CC(CN)C(=O)O Z431542704 [0,0,0,0,1,0|1,0,0]=2 204 B6R0.3 CC(CO)C(=O)O Z431541400 [0,0,0,0,1,0|2,0,0]=3 205 B6R0.3 CC(O)C(N)CN Z1250080890 [0,0,0,0,1,0|2,0,1]=4 206 B6R0.3 CCC(C)C(=O)N Z270978420 [0,0,0,0,1,0|3,0,0]=4 207 B6R0.3 CCC(C)C(=O)O Z237374874 [0,0,0,0,1,0|2,0,0]=3 208 B6R0.3 CCC(N)C(=O)O Z104495144 [0,0,0,0,1,0|2,0,0]=3 209 B6R0.3 CCC(O)C(=O)N Z965049008 [0,0,0,0,1,0|2,0,0]=3 210 B6R0.3 CCC(O)C(=O)O Z246073650 [0,0,0,0,1,0|1,0,0]=2 211 B6R0.3 CCC(O)C(C)O Z1251352132 [0,0,0,0,1,0|2,0,1]=4 212 B6R0.3 CC[C@@H](N)C(=O)O Z904976986 [0,0,0,0,1,0|2,0,0]=3 213 B6R0.3 CC[C@H](C)C(=O)O Z1205493564 [0,0,0,0,1,0|2,0,0]=3 214 B6R0.3 CC[C@H](N)C(=O)O Z1741965569 [0,0,0,0,1,0|2,0,0]=3 215 B6R0.3 CNC(C)C(=O)O Z1278590830 [0,0,0,0,1,0|3,0,0]=4 216 B6R0.3 COC(C)C(=O)O Z316258898 [0,0,0,0,1,0|3,0,0]=4 217 B6R0.3 CSC(C)C(=O)O Z149191750 [0,0,0,0,1,0|3,0,0]=4 218 B6R0.3 NC(CO)C(=O)O Z57396986 [0,0,0,0,1,0|2,0,0]=3 219 B6R0.3 NC(CS)C(=O)O Z966690626 [0,0,0,0,1,0|2,0,0]=3 220 B6R0.3 NCC(N)C(=O)O Z2465863279 [0,0,0,0,1,0|1,0,0]=2 221 B6R0.3 NCC(O)C(=O)N Z1889902538 [0,0,0,0,1,0|1,0,0]=2 222 B6R0.3 NC[C@@H](F)C(=O)O Z2695741427 [0,0,0,0,1,0|1,0,0]=2 223 B6R0.3 NNC(=O)C(=O)O Z3068042919 [0,0,0,0,1,0|1,0,2]=4 224 B6R0.3 N[C@@H](CO)C(=O)O Z756440058 [0,0,0,0,1,0|2,0,0]=3 225 B6R0.3 N[C@@H](CS)C(=O)O Z760035162 [0,0,0,0,1,0|2,0,0]=3 226 B6R0.3 N[C@H](CO)C(=O)O Z1070067572 [0,0,0,0,1,0|2,0,0]=3 227 B6R0.3 O=C(O)C(=O)CBr Z1079181768 [0,0,0,0,1,0|1,0,2]=4 228 B8R0.9 C=CC(N)CCC(=O)O Z1255431434 [0,0,0,0,0,1|2,0,1]=4 229 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,0,0,0,0,1|1,0,0]=2 230 B8R0.9 CCC(=O)CCC(=O)O Z838955680 [0,0,0,0,0,1|1,0,2]=4 231 B8R0.9 CCC(=O)NCC(=O)O Z85886715 [0,0,0,0,0,1|1,0,2]=4 232 B8R0.9 CCC(C)CCC(=O)C Z955111260 [0,0,0,0,0,1|3,0,0]=4 233 B8R0.9 CCC(C)CCC(=O)O Z955111774 [0,0,0,0,0,1|2,0,0]=3 234 B8R0.9 CCC(C)NCC(=O)O Z425484950 [0,0,0,0,0,1|2,0,0]=3 235 B8R0.9 CCC(C)OCC(=O)O Z839103364 [0,0,0,0,0,1|2,0,0]=3 236 B8R0.9 CCN(C)CCC(=O)O Z1259335747 [0,0,0,0,0,1|3,0,0]=4 237 B8R0.9 COC(C)CCC(=O)O Z963595334 [0,0,0,0,0,1|3,0,0]=4 238 B8R0.9 CSC(C)CCC(=O)O Z963595804 [0,0,0,0,0,1|3,0,0]=4 239 B8R0.9 NCC(=O)CCC(=O)O Z1741972992 [0,0,0,0,0,1|0,0,2]=3 240 B8R0.9 NCC(=O)NCC(=O)O Z56896934 [0,0,0,0,0,1|0,0,2]=3 241 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,0,0,0,0,1|1,0,0]=2 242 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|0,0,2]=4 243 B5R0.1 C#CCC(C)O Z969111576 [2,0,0,0,0,0|1,0,1]=4 244 B5R0.1 C/C=C/C(=O)O Z104476026 [2,0,0,0,0,0|0,0,2]=4 245 B5R0.1 C=C(C)CCN Z1203582475 [2,0,0,0,0,0|2,0,0]=4 246 B5R0.1 C=CCC(C)N Z1269638561 [2,0,0,0,0,0|2,0,0]=4 247 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,0]=3 248 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|1,0,1]=4 249 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|2,0,0]=4 250 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,0,1]=4 251 B5R0.1 CC(O)CC#N Z847151284 [2,0,0,0,0,0|1,0,1]=4 252 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|1,0,1]=4 253 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|0,0,1]=3 254 B5R0.1 CCCC(=N)N Z1198394172 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|1,0,0]=3 256 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|0,0,0]=2 257 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|2,0,0]=4 258 B5R0.1 CNCC(=O)N Z415678308 [2,0,0,0,0,0|2,0,0]=4 259 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|1,0,0]=3 260 B5R0.1 CNCC(C)O Z138692700 [2,0,0,0,0,0|2,0,0]=4 261 B5R0.1 COCC(=O)N Z33546778 [2,0,0,0,0,0|2,0,0]=4 262 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|1,0,0]=3 263 B5R0.1 COCC(C)O Z825742124 [2,0,0,0,0,0|2,0,0]=4 264 B5R0.1 CS(=O)CCN Z802568576 [2,0,0,0,0,0|2,0,0]=4 265 B5R0.1 CSCC(=O)N Z33545668 [2,0,0,0,0,0|2,0,0]=4 266 B5R0.1 CSCC(C)O Z732208306 [2,0,0,0,0,0|2,0,0]=4 267 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,0,1]=4 268 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|1,0,1]=4 269 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|0,0,2]=4 270 B5R0.1 N=C(N)CCO Z1198394167 [2,0,0,0,0,0|2,0,0]=4 271 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,0,0]=3 272 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|1,0,0]=3 273 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|0,0,0]=2 274 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|1,0,0]=3 275 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 276 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,1,0]=3 277 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,0,0]=3 278 B5R0.2 C#CCCCN Z1945700461 [2,0,0,0,0,0|1,0,1]=4 279 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|1,0,1]=4 280 B5R0.2 C=CCCCN Z993058434 [2,0,0,0,0,0|1,0,0]=3 281 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,0]=3 282 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 283 B5R0.2 N#CCCCN Z1649677743 [2,0,0,0,0,0|1,0,1]=4 284 B5R0.2 NCCCCF Z2177031126 [2,0,0,0,0,0|1,0,1]=4 285 B5R0.2 NCCCCN Z104472592 [2,0,0,0,0,0|1,0,1]=4 286 B5R0.3 CC(CN)CN Z951173758 [2,0,0,0,0,0|2,0,0]=4 287 B5R0.3 CC(CN)CO Z406342068 [2,0,0,0,0,0|1,0,0]=3 288 B5R0.3 CC(CO)CS Z1262475362 [2,0,0,0,0,0|2,0,0]=4 289 B5R0.3 CCC(C)CN Z2350903977 [2,0,0,0,0,0|1,0,1]=4 290 B5R0.3 CCC(N)CN Z1263714131 [2,0,0,0,0,0|1,0,1]=4 291 B5R0.3 CCC(N)CO Z104474862 [2,0,0,0,0,0|2,0,0]=4 292 B5R0.3 CCC(O)CN Z419084746 [2,0,0,0,0,0|0,0,1]=3 293 B5R0.3 CCC(O)CO Z600450538 [2,0,0,0,0,0|1,0,0]=3 294 B5R0.3 CC[C@@H](N)CO Z1203162359 [2,0,0,0,0,0|2,0,0]=4 295 B5R0.3 CC[C@H](N)CO Z1203162358 [2,0,0,0,0,0|2,0,0]=4 296 B5R0.3 NC(CO)CO Z1203577940 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.3 NCC(F)CN Z2733320873 [2,0,0,0,0,0|2,0,0]=4 298 B5R0.3 NCC(N)CN Z1203578196 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.3 NCC(O)CF Z2311274712 [2,0,0,0,0,0|1,0,0]=3 300 B5R0.3 OCC(O)CO Z104473548 [2,0,0,0,0,0|1,0,0]=3 301 B5R0.3 OCC(O)CS Z1255382958 [2,0,0,0,0,0|1,0,0]=3 302 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|1,0,1]=4 303 B7R0.3 CCOCC(O)CN Z271097110 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|1,0,1]=4 305 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.7 CCCC(O)CCO Z1198158209 [1,1,0,0,0,0|1,0,1]=4 307 B7R0.7 CNCC(O)COC Z406679976 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.7 COCC(O)CCN Z1182310348 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.7 NCCC(O)CCN Z4497194547 [1,1,0,0,0,0|1,0,1]=4 310 B7R0.10 CCC(C)C(O)CN Z802901690 [1,1,0,0,0,0|1,0,1]=4 311 B7R0.10 OC[C@H](O)[C@H](O)CO Z1203161930 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.11 C=CCC(C)(C)CN Z2211231731 [1,1,0,0,0,0|2,0,0]=4 313 B7R0.11 CC(C)(CN)CCO Z1203583786 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.11 CC(O)(CO)CCO Z1238572721 [1,1,0,0,0,0|1,0,1]=4 315 B7R0.11 COCC(C)(O)CN Z992449016 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.11 CSCC(C)(O)CN Z1235968368 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.12 COCC(CN)OC Z1820007612 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.12 O=CNC(CO)CO Z1259117052 [1,1,0,0,0,0|2,0,0]=4 319 B7R0.9 CC(=O)CC(C)(C)C Z1171198845 [1,1,0,0,0,0|2,0,0]=4 320 B7R0.9 CC(C)(Br)CC(=O)O Z1262512457 [1,1,0,0,0,0|1,0,0]=3 321 B7R0.9 CC(C)(C)CC(=O)N Z278515142 [1,1,0,0,0,0|2,0,0]=4 322 B7R0.9 CC(C)(C)CC(=O)O Z104478420 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.9 CC(C)(N)CC(=O)N Z1459435491 [1,1,0,0,0,0|2,0,0]=4 324 B7R0.9 CC(C)(N)CC(=O)O Z1255523279 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.9 CC(C)(O)CC(=N)N Z3804955217 [1,1,0,0,0,0|2,0,0]=4 326 B7R0.9 CC(C)(O)CC(=O)O Z982131798 [1,1,0,0,0,0|0,0,0]=2 327 B7R0.9 CC(F)(F)CC(=O)O Z1205496030 [1,1,0,0,0,0|1,0,0]=3 328 B7R0.9 CC(O)CC(C)(C)O Z1255485267 [1,1,0,0,0,0|1,0,1]=4 329 B7R0.9 CC(O)CS(=O)(=O)C Z991513264 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.9 CC(O)CS(=O)(=O)[O-] Z3300698020 [1,1,0,0,0,0|1,0,1]=4 331 B7R0.9 CS(=O)(=O)CC(=O)O Z295402410 [1,1,0,0,0,0|1,0,1]=4 332 B7R0.9 NS(=O)(=O)CC(=O)O Z331472332 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.9 O=C(O)CP(=O)(O)O Z277558864 [1,1,0,0,0,0|2,0,0]=4 334 B7R0.16 CC(C(=O)O)C(=O)O Z787653408 [1,1,0,0,0,0|1,0,1]=4 335 B7R0.16 CC(C)C(Br)C(=O)O Z203888738 [1,1,0,0,0,0|1,0,0]=3 336 B7R0.16 CC(C)C(C)C(=O)O Z756391682 [1,1,0,0,0,0|1,0,0]=3 337 B7R0.16 CC(C)C(Cl)C(=O)O Z336080700 [1,1,0,0,0,0|1,0,0]=3 338 B7R0.16 CC(C)C(N)C(=O)N Z1266823200 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.16 CC(C)C(N)C(=O)O Z57127382 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.16 CC(C)C(S)C(=O)O Z808230896 [1,1,0,0,0,0|1,0,0]=3 341 B7R0.16 CC(C)[C@@H](N)C(=O)N Z1198153018 [1,1,0,0,0,0|2,0,0]=4 342 B7R0.16 CC(C)[C@@H](N)C(=O)O Z813018028 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.16 CC(C)[C@H](N)C(=O)O Z756430564 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.16 CC(N)C(C)C(=O)O Z1198162847 [1,1,0,0,0,0|1,0,0]=3 345 B7R0.16 CC(O)C(C)C(=O)O Z982137146 [1,1,0,0,0,0|0,0,0]=2 346 B7R0.16 CC(O)C(O)C(C)O Z1896181589 [1,1,0,0,0,0|1,0,1]=4 347 B7R0.16 C[C@@H](C(=O)O)N(C)C Z1350606494 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O Z1201618669 [1,1,0,0,0,0|0,0,0]=2 349 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O Z813019058 [1,1,0,0,0,0|0,0,0]=2 350 B7R0.16 C[C@H](C(=O)O)N(C)C Z1205493968 [1,1,0,0,0,0|2,0,0]=4 351 B7R0.16 C[C@H](O)[C@H](N)C(=O)O Z1162448524 [1,1,0,0,0,0|0,0,0]=2 352 B7R0.16 O=C(O)C(O)C(=O)O Z90123595 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 C#CCOCC(=O)O Z362807246 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.4 C#CCSCC(=O)O Z149151642 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,1,0,0,0,0|1,0,0]=3 357 B7R0.4 C=CCNCC(=O)O Z803145546 [1,1,0,0,0,0|1,0,1]=4 358 B7R0.4 C=CCOCC(=O)O Z362807794 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.4 C=CCSCC(=O)O Z149151274 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.4 CC#CCCC(=O)O Z1205493674 [1,1,0,0,0,0|1,0,1]=4 361 B7R0.4 CC(=O)NCCCN Z295405102 [1,1,0,0,0,0|1,0,0]=3 362 B7R0.4 CC(=O)NCCCO Z353570744 [1,1,0,0,0,0|2,0,0]=4 363 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.4 CCCCCC(=O)O Z104503532 [1,1,0,0,0,0|1,0,0]=3 365 B7R0.4 CCCCOC(=O)N Z104476286 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.4 CCCNCC(=O)N Z2211231296 [1,1,0,0,0,0|2,0,0]=4 367 B7R0.4 CCCNCC(=O)O Z744582718 [1,1,0,0,0,0|1,0,0]=3 368 B7R0.4 CCCOCC(=O)O Z406677750 [1,1,0,0,0,0|1,0,0]=3 369 B7R0.4 CCCSCC(=O)C Z447929234 [1,1,0,0,0,0|2,0,0]=4 370 B7R0.4 CCCSCC(=O)O Z228425458 [1,1,0,0,0,0|1,0,0]=3 371 B7R0.4 CCNCCC(=O)N Z2681234913 [1,1,0,0,0,0|2,0,0]=4 372 B7R0.4 CCNCCC(=O)O Z1869802098 [1,1,0,0,0,0|1,0,0]=3 373 B7R0.4 CCOCCC(=O)O Z316258938 [1,1,0,0,0,0|1,0,0]=3 374 B7R0.4 CCSCCC(=O)O Z197206046 [1,1,0,0,0,0|1,0,0]=3 375 B7R0.4 CNCCCC(=O)O Z57043473 [1,1,0,0,0,0|0,0,0]=2 376 B7R0.4 CNCCNC(=O)C Z1456777974 [1,1,0,0,0,0|2,0,0]=4 377 B7R0.4 COCCCC(=O)C Z406376722 [1,1,0,0,0,0|2,0,0]=4 378 B7R0.4 COCCCC(=O)O Z316258912 [1,1,0,0,0,0|1,0,0]=3 379 B7R0.4 CSCCCC(=O)O Z54602911 [1,1,0,0,0,0|1,0,0]=3 380 B7R0.4 N#CCCCC(=O)O Z1198152304 [1,1,0,0,0,0|0,0,1]=3 381 B7R0.4 N#CCSCC(=O)O Z19691779 [1,1,0,0,0,0|0,0,2]=4 382 B7R0.4 NC(=O)COCCO Z1198148880 [1,1,0,0,0,0|2,0,0]=4 383 B7R0.4 NC(=O)NCCCO Z198194722 [1,1,0,0,0,0|2,0,0]=4 384 B7R0.4 NCCCCC(=O)N Z1639630947 [1,1,0,0,0,0|1,0,0]=3 385 B7R0.4 NCCCCC(=O)O Z271111992 [1,1,0,0,0,0|0,0,0]=2 386 B7R0.4 NCCCOC(=O)N Z3337481796 [1,1,0,0,0,0|1,0,0]=3 387 B7R0.4 NCCNCC(=O)O Z2692249907 [1,1,0,0,0,0|0,0,0]=2 388 B7R0.4 NCCOCC(=O)N Z1428158847 [1,1,0,0,0,0|1,0,0]=3 389 B7R0.4 NCCOCC(=O)O Z1650039500 [1,1,0,0,0,0|0,0,0]=2 390 B7R0.4 NCCSCC(=O)O Z1381287295 [1,1,0,0,0,0|0,0,0]=2 391 B7R0.4 O=C(O)CCCCBr Z104479696 [1,1,0,0,0,0|1,0,0]=3 392 B7R0.4 O=C(O)CCCCS Z808230828 [1,1,0,0,0,0|1,0,0]=3 393 B7R0.4 O=C(O)CNCCO Z425411352 [1,1,0,0,0,0|1,0,0]=3 394 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,1,0,0,0,0|1,0,1]=4 395 B7R0.4 O=C([O-])COCCO Z1744715804 [1,1,0,0,0,0|1,0,1]=4 396 B7R0.6 CC(=O)CCC(=O)O Z104477318 [1,1,0,0,0,0|1,0,1]=4 397 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|1,0,0]=3 398 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|2,0,0]=4 399 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|2,0,0]=4 400 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|2,0,0]=4 401 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|0,0,0]=2 402 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|2,0,0]=4 403 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|1,0,0]=3 404 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 405 B7R0.6 CS(=O)CCC(=O)O Z667974346 [1,1,0,0,0,0|2,0,0]=4 406 B7R0.6 N=C(N)NCC(=O)O Z586248684 [1,1,0,0,0,0|1,0,1]=4 407 B7R0.6 N=C(N)SCC(=O)O Z2944342055 [1,1,0,0,0,0|1,0,1]=4 408 B7R0.6 NC(=O)NCC(=O)O Z57009586 [1,1,0,0,0,0|1,0,1]=4 409 B7R0.6 O=C(O)CCC(=O)O Z57127453 [1,1,0,0,0,0|1,0,1]=4 410 B7R0.8 CS(=O)(=O)CCCN Z752370998 [1,1,0,0,0,0|1,0,1]=4 411 B7R0.8 NCCCS(=O)(=O)N Z744592958 [1,1,0,0,0,0|1,0,1]=4 412 B7R0.8 NCCCS(=O)(=O)O Z1203578094 [1,1,0,0,0,0|1,0,0]=3 413 B7R0.13 C=CC(C)(O)C(=O)O Z1198182953 [0,1,0,0,1,0|1,0,1]=4 414 B7R0.13 CC(Br)(CBr)C(=O)O Z104503534 [0,1,0,0,1,0|2,0,0]=4 415 B7R0.13 CC(C)(CF)C(=O)O Z1205495490 [0,1,0,0,1,0|2,0,0]=4 416 B7R0.13 CC(C)(CN)C(=O)N Z431519836 [0,1,0,0,1,0|2,0,0]=4 417 B7R0.13 CC(C)(CN)C(=O)O Z2235387237 [0,1,0,0,1,0|1,0,0]=3 418 B7R0.13 CC(C)(CO)C(=O)O Z997726628 [0,1,0,0,1,0|2,0,0]=4 419 B7R0.13 CC(N)(CN)C(=O)O Z2050725177 [0,1,0,0,1,0|1,0,0]=3 420 B7R0.13 CC(N)(CO)C(=O)O Z1509051726 [0,1,0,0,1,0|2,0,0]=4 421 B7R0.13 CC(O)(CO)C(=O)O Z1205493767 [0,1,0,0,1,0|1,0,0]=3 422 B7R0.13 CCC(C)(Br)C(=O)O Z1198221945 [0,1,0,0,1,0|2,0,0]=4 423 B7R0.13 CCC(C)(C)C(=O)O Z995036360 [0,1,0,0,1,0|2,0,0]=4 424 B7R0.13 CCC(C)(N)C(=O)O Z317024736 [0,1,0,0,1,0|2,0,0]=4 425 B7R0.13 CCC(C)(O)C(=O)O Z788000964 [0,1,0,0,1,0|1,0,0]=3 426 B7R0.13 NCC(F)(F)C(=O)N Z3006034789 [0,1,0,0,1,0|2,0,0]=4 427 B7R0.15 CCC(C#N)C(=O)O Z1117899421 [0,1,0,0,1,0|2,0,0]=4 428 B7R0.15 CCC(CO)C(=O)[O-] Z2442085377 [0,1,0,0,1,0|1,0,1]=4 429 B7R0.15 CCC(NC)C(=O)O Z818727142 [0,1,0,0,1,0|2,0,0]=4 430 B7R0.15 CCC(OC)C(=O)O Z449367058 [0,1,0,0,1,0|1,0,0]=3 431 B7R0.15 CCC(SC)C(=O)O Z732206700 [0,1,0,0,1,0|1,1,0]=4 432 B7R0.15 CNC(CN)C(=O)O Z1982493964 [0,1,0,0,1,0|1,0,0]=3 433 B7R0.15 COC(CN)C(=O)O Z1603778808 [0,1,0,0,1,0|0,0,0]=2 434 B7R0.15 NCC(CN)C(=O)O Z5183354524 [0,1,0,0,1,0|1,0,0]=3 435 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,1,0,0,0,1|2,0,0]=4 436 B9R0.7 NC(CCC(=O)O)C(F)F Z2733335696 [0,1,0,0,0,1|2,0,0]=4 437 B9R0.23 CCC(C)C(O)CC(=O)O Z982132268 [0,1,0,0,0,1|2,0,0]=4 438 B9R0.24 COC(=O)CCC(=O)CN Z3015912776 [0,1,0,0,0,1|0,0,2]=4 439 B9R0.42 CCC(C)CC(N)C(=O)O Z2306603552 [0,1,0,0,0,1|2,0,0]=4 440 B9R0.42 O=C(O)C(O)CC(O)CO Z1262514590 [0,1,0,0,0,1|1,0,0]=3 441 B9R0.48 COCC(C)NCC(=O)O Z1259273105 [0,1,0,0,0,1|2,0,0]=4 442 B9R0.48 NCCC(=O)NCC(=O)O Z1901071297 [0,1,0,0,0,1|0,0,2]=4 443 B9R0.64 CC(C)(CN)OCC(=O)O Z5213301974 [0,1,0,0,0,1|1,0,0]=3 444 B9R0.64 CCC(C)(C)OCC(=O)O Z362795510 [0,1,0,0,0,1|2,0,0]=4 445 B9R0.6 CCCC(C)C(N)C(=O)O Z905051876 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.6 COCC(C)C(C)C(=O)O Z1321942658 [0,2,0,0,0,0|2,0,0]=4 447 B9R0.27 CCC(C)C(N)C(=O)OC Z90123616 [0,2,0,0,0,0|2,0,0]=4 448 B9R0.27 CCC(N)C(O)C(=O)OC Z2232973431 [0,2,0,0,0,0|2,0,0]=4 449 B9R0.27 CCC(O)C(C)C(=O)OC Z982132706 [0,2,0,0,0,0|1,0,0]=3 450 B9R0.27 O=C[C@H](O)[C@@H](O)[C@@H](O)CO Z1201619244 [0,2,0,0,0,0|1,0,1]=4 451 B9R0.27 O=C[C@H](O)[C@@H](O)[C@H](O)CO Z1255438834 [0,2,0,0,0,0|1,0,1]=4 452 B9R0.27 O=C[C@H](O)[C@H](O)[C@H](O)CO Z1255372712 [0,2,0,0,0,0|1,0,1]=4 453 B9R0.28 CCC(N)C(C)(C)C(=O)O Z1262517126 [0,2,0,0,0,0|2,0,0]=4 454 B9R0.28 CCC(O)C(F)(F)C(=O)O Z982139396 [0,2,0,0,0,0|1,0,0]=3 455 B9R0.29 CCC(C)C(NC)C(=O)O Z2472857058 [0,2,0,0,0,0|2,0,0]=4 456 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O Z1205493806 [0,2,0,0,0,0|2,0,0]=4 457 B9R0.32 CCC(C)(C)C(N)C(=O)O Z2429425649 [0,2,0,0,0,0|2,0,0]=4 458 B9R0.32 CCC(C)(O)C(O)C(=O)O Z1205494592 [0,2,0,0,0,0|1,0,0]=3 459 B9R0.41 CCC(CC)C(N)C(=O)O Z1269638502 [0,2,0,0,0,0|2,0,0]=4 460 B9R0.79 CC(C)C(C)C(N)C(=O)O Z1203580293 [0,2,0,0,0,0|2,0,0]=4 461 B9R0.79 CC(C)C(N)C(O)C(=O)O Z1203578698 [0,2,0,0,0,0|2,0,0]=4 462 B9R0.79 O=C(O)C(O)C(O)C(=O)O Z104473036 [0,2,0,0,0,0|1,0,1]=4 463 B9R0.79 O=C(O)[C@@H](O)[C@H](O)C(=O)O Z1147451575 [0,2,0,0,0,0|1,0,1]=4 464 B9R0.79 O=C(O)[C@H](O)[C@@H](O)C(=O)O Z1147451717 [0,2,0,0,0,0|1,0,1]=4 465 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,2,0,0,0,0|2,0,0]=4 466 B9R0.14 CCCC(CC)CC(=O)O Z1198149106 [0,2,0,0,0,0|2,0,0]=4 467 B9R0.34 C#CCC(N)CC(=O)OC Z3825461044 [0,2,0,0,0,0|2,0,0]=4 468 B9R0.34 CCCC(N)CC(=O)OC Z1582263053 [0,2,0,0,0,0|2,0,0]=4 469 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [0,2,0,0,0,0|1,0,0]=3 470 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,2,0,0,0,0|2,0,0]=4 471 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,2,0,0,0,0|2,0,0]=4 472 B9R0.53 CC(CC(=O)O)CC(=O)O Z1041180516 [0,2,0,0,0,0|2,0,0]=4 473 B9R0.53 CC(CC(=O)O)CN(C)C Z2824350104 [0,2,0,0,0,0|1,0,0]=3 474 B9R0.53 CC(CC(=O)O)NC(=O)N Z398943198 [0,2,0,0,0,0|1,0,1]=4 475 B9R0.53 O=C(O)CC(O)CC(=O)O Z1198167174 [0,2,0,0,0,0|1,0,0]=3 476 B9R0.58 CCCC(C)(C)CC(=O)O Z1198160073 [0,2,0,0,0,0|2,0,0]=4 477 B9R0.58 COCC(C)(C)CC(=O)O Z1434171899 [0,2,0,0,0,0|2,0,0]=4 478 B9R0.58 COCC(C)(N)CC(=O)O Z3379727619 [0,2,0,0,0,0|2,0,0]=4 479 B9R0.58 NCCC(F)(F)CC(=O)O Z3821935122 [0,2,0,0,0,0|1,0,0]=3 480 B9R0.26 COC(=O)CC(CN)OC Z1889902500 [0,2,0,0,0,0|0,0,0]=2 481 B9R0.39 CCC(CC(=O)O)C(=O)O Z1205493643 [0,2,0,0,0,0|1,0,0]=3 482 B9R0.39 CCC(CC(=O)O)C(C)C Z608350044 [0,2,0,0,0,0|2,0,0]=4 483 B9R0.39 NCC(CC(=O)O)C(=O)O Z1532540523 [0,2,0,0,0,0|0,0,0]=2 484 B9R0.39 NCC(CC(=O)O)C(F)F Z1262560350 [0,2,0,0,0,0|1,0,0]=3 485 B9R0.52 COC(CN)CS(=O)(=O)C Z5608278757 [0,2,0,0,0,0|1,0,1]=4 486 B9R0.63 CC(CN)(CO)CC(=O)O Z1753012993 [0,2,0,0,0,0|0,0,0]=2 487 B9R0.10 CC(C)(C)C(N)CC(=O)O Z1582263789 [0,2,0,0,0,0|2,0,0]=4 488 B9R0.10 CC(CC(=O)O)C(C)(C)C Z352782682 [0,2,0,0,0,0|2,0,0]=4 489 B9R0.10 CC(CC(=O)O)C(C)(C)N Z3244926252 [0,2,0,0,0,0|1,0,0]=3 490 B9R0.10 NC(CC(=O)O)C(F)(F)F Z56782526 [0,2,0,0,0,0|2,0,0]=4 491 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl Z57228437 [0,2,0,0,0,0|1,0,0]=3 492 B9R0.11 CC(C)(CC(=O)O)C(F)F Z1934556434 [0,2,0,0,0,0|2,0,0]=4 493 B9R0.11 CC(N)(CC(=O)O)C(F)F Z3752641567 [0,2,0,0,0,0|2,0,0]=4 494 B9R0.11 CC(N)C(C)(C)CC(=O)O Z4138536717 [0,2,0,0,0,0|1,0,0]=3 495 B9R0.11 CC(O)(CC(=O)O)C(=O)O Z1255442426 [0,2,0,0,0,0|1,0,1]=4 496 B9R0.11 O=C(O)CC(F)(F)C(F)F Z362805766 [0,2,0,0,0,0|2,0,0]=4 497 B7R1.1 NCC1CC=CC1 Z2310699469 [1,0,0,1,0,0|2,0,0]=4 498 B7R1.1 NCC1COCO1 Z2298138033 [1,0,0,1,0,0|2,0,0]=4 499 B7R1.2 CC1CC(=O)NN1 Z217165562 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.2 CC1CC(CN1)O Z1201051000 [1,0,0,1,0,0|1,0,1]=4 501 B7R1.2 CC1CNC(=N)C1 Z4085233400 [1,0,0,1,0,0|2,0,0]=4 502 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|2,0,0]=4 505 B7R1.2 NC1CNC(=O)C1 Z1198329759 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,0,0,1,0,0|0,0,0]=2 507 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|1,0,1]=4 508 B7R1.3 OC1CCONC1 Z3325124334 [1,0,0,1,0,0|0,0,1]=3 509 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [1,0,0,1,0,0|1,0,1]=4 510 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [1,0,0,1,0,0|1,0,1]=4 511 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [1,0,0,1,0,0|1,0,1]=4 513 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.6 O=CCC1COC1 Z1511884358 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.10 C=C1CC(C1)CN Z3018667936 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.10 NC[C@H]1C[C@@H](C1)O Z2755724217 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.11 CC1C(C1C=O)Cl Z1262487267 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.11 C[C@H]1C([C@@H]1C)C=O Z3081818776 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.21 CC1(CC1)CC=O Z3247248393 [1,0,0,1,0,0|2,0,0]=4 522 B7R1.22 NCC(O)C1CC1 Z802856322 [1,0,0,1,0,0|1,0,1]=4 523 B7R1.25 NCC1(CCC1)O Z419084774 [1,0,0,1,0,0|1,0,1]=4 524 B7R1.12 CC(=O)C1CC1C Z1259336498 [1,0,0,1,0,0|2,0,0]=4 525 B7R1.12 CC1CC1C(=O)N Z33546780 [1,0,0,1,0,0|2,0,0]=4 526 B7R1.12 C[C@@H]1C[C@H]1C(=O)O Z1205493848 [1,0,0,1,0,0|1,0,0]=3 527 B7R1.12 C[C@H]1C[C@@H]1C(=O)O Z1205494110 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.16 CC1(CC(=O)C1)C Z1386602397 [1,0,0,1,0,0|2,0,0]=4 529 B7R1.16 CC1(CC(=O)N1)C Z1238800208 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.20 CC(=O)CC1CC1 Z1198160502 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.20 NC(=O)CC1CC1 Z365255854 [1,0,0,1,0,0|2,0,0]=4 532 B7R1.20 O=C(O)CC1CC1 Z234893653 [1,0,0,1,0,0|1,0,0]=3 533 B7R1.14 O=S1(=O)CCCN1 Z359508120 [1,0,0,1,0,0|1,0,1]=4 534 B7R1.18 NC(=O)C1CCC1 Z33546656 [1,0,0,1,0,0|2,0,0]=4 535 B7R1.18 O=C(O)C1CCC1 Z104472264 [1,0,0,1,0,0|1,0,0]=3 536 B7R1.18 O=C(O)C1CCN1 Z168878270 [1,0,0,1,0,0|0,0,0]=2 537 B7R1.18 O=C(O)C1CNC1 Z1171217434 [1,0,0,1,0,0|2,0,0]=4 538 B7R1.18 O=C(O)C1CSC1 Z1205495555 [1,0,0,1,0,0|2,0,0]=4 539 B7R1.19 CC1(CC1)C(=O)O Z1205493633 [0,0,0,1,1,0|2,0,0]=4 540 B7R1.19 NC1(CC1)C(=O)O Z235362779 [0,0,0,1,1,0|2,0,0]=4 541 B7R1.19 O=C(O)C1(CC1)O Z216340524 [0,0,0,1,1,0|1,0,0]=3 542 B9R1.1 NCC1CCC(=O)NC1 Z2418414181 [0,0,0,1,0,1|2,0,0]=4 543 B9R1.1 NCC1CNC(=O)CO1 Z3235039166 [0,0,0,1,0,1|1,0,0]=3 544 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,0,0,1,0,1|2,0,0]=4 545 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,0,0,1,0,1|2,0,0]=4 546 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,0,0,1,0,1|2,0,0]=4 547 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,0,0,1,0,1|2,0,0]=4 548 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,1|2,0,0]=4 549 B9R1.35 NC(=O)C1CC(CN1)O Z56960275 [0,0,0,1,0,1|1,0,0]=3 550 B9R1.35 NC(=O)[C@@H]1C[C@H](CN1)F Z1203582968 [0,0,0,1,0,1|2,0,0]=4 551 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,0,0,1,0,1|2,0,0]=4 552 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,0,0,1,0,1|2,0,0]=4 553 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,0,0,1,0,1|0,0,0]=2 554 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,0,0,1,0,1|0,0,0]=2 555 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,0,0,1,0,1|0,0,0]=2 556 B9R1.35 O=C1CN[C@@H](C1)C(=O)O Z2902023119 [0,0,0,1,0,1|0,0,2]=4 557 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,1,0,1|2,0,0]=4 558 B9R1.67 CC1CCN1CC(=O)O Z2177030978 [0,0,0,1,0,1|2,0,0]=4 559 B9R1.67 NC1CCC1CC(=O)O Z4080002320 [0,0,0,1,0,1|2,0,0]=4 560 B9R1.84 NC(=O)COC1CNC1 Z2968025778 [0,0,0,1,0,1|2,0,0]=4 561 B9R1.84 O=C(O)C#CC1CNC1 Z3353501796 [0,0,0,1,0,1|1,0,1]=4 562 B9R1.84 O=C(O)CNC1CCC1 Z4897302450 [0,0,0,1,0,1|2,0,0]=4 563 B9R1.86 NC[C@@H]1C[C@@H]1CC(=O)O Z4913154380 [0,0,0,1,0,1|1,0,0]=3 564 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,0,1,0,1|1,0,0]=3 565 B9R1.95 NCC1CN(C1)C(=O)N Z3753017086 [0,0,0,1,0,1|2,0,0]=4 566 B9R1.125 CC1(CCC(=O)N1)CN Z2242950987 [0,0,0,1,0,1|2,0,0]=4 567 B9R1.125 CC1(CNC(=O)O1)CN Z5851683025 [0,0,0,1,0,1|1,0,0]=3 568 B9R1.125 CC1(COC(=O)C1)CN Z4869170774 [0,0,0,1,0,1|2,0,0]=4 569 B9R1.127 CCC1(CC1C(=O)O)C Z979743330 [0,0,0,1,0,1|2,0,0]=4 570 B9R1.3 O[C@H]1CNC[C@H]([C@H]1O)O Z1203732389 [0,1,0,1,0,0|1,0,1]=4 571 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,1,0,0|1,0,0]=3 573 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,1,0,0|2,0,0]=4 576 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,1,0,0|2,0,0]=4 579 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,1,0,0|2,0,0]=4 580 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N Z2786078634 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.96 NC[C@@H]1CC[C@@H]1C(=O)O Z4659668967 [0,1,0,1,0,0|1,0,0]=3 584 B9R1.110 CC(C(=O)O)C1CCC1 Z1198237996 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.110 CC(C(=O)O)C1CNC1 Z1741794178 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.110 NC(C(=O)O)C1CCC1 Z1309515310 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.110 O=C(O)C(O)C1CCC1 Z1205496047 [0,1,0,1,0,0|2,0,0]=4 588 B9R1.111 CC(C(=O)O)C1(CC1)N Z2327568962 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.111 CC1(CC1)C(N)C(=O)O Z2940229290 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.132 N[C@H]1C(=O)OC[C@H]1CO Z4342606943 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.13 CC(=O)CC1CCCO1 Z513734588 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.13 CC(=O)CC1CCOC1 Z1321971717 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.13 O=C(O)CC1C=CCC1 Z104507506 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.13 O=C(O)CC1CCCC1 Z104477042 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,1,0,1,0,0|1,0,0]=3 598 B9R1.13 O=C(O)CC1CCOC1 Z825745916 [0,1,0,1,0,0|1,0,0]=3 599 B9R1.13 O=C(O)CC1OCCO1 Z1205496445 [0,1,0,1,0,0|1,0,0]=3 600 B9R1.13 O=C(O)C[C@@H]1CCCO1 Z1862025858 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.13 O=C(O)C[C@H]1CCOC1 Z1205495408 [0,1,0,1,0,0|1,0,0]=3 602 B9R1.34 N[C@@H]1C[C@@H](C[C@@H](C1)O)O Z4512858324 [0,1,0,1,0,0|1,0,1]=4 603 B9R1.53 CN1CC(C1)CC(=O)O Z2239020739 [0,1,0,1,0,0|1,0,0]=3 604 B9R1.53 NC(=O)CC1CC(C1)N Z2831568112 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.53 NC1CC(C1)CC(=O)O Z2832014018 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.53 NC1CN(C1)CC(=O)O Z4201331449 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O Z3032846287 [0,1,0,1,0,0|1,0,0]=3 608 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O Z2310055381 [0,1,0,1,0,0|2,0,0]=4 609 B9R1.59 CCOC1CC1C(=O)O Z432051730 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.137 CC(CC(=O)O)C1CC1 Z352782228 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.137 NC(CC(=O)O)C1CC1 Z975824848 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.137 O=C([O-])CC(O)C1CC1 Z3048907687 [0,1,0,1,0,0|1,0,1]=4 613 B9R1.171 NC1(CCC1)CC(=O)O Z1318147475 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.2 NC[C@@H]1C[C@@H](CCO1)O Z3200658572 [0,1,0,1,0,0|1,0,1]=4 616 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,1,0,0|2,0,0]=4 617 B9R1.2 O=C1CNC[C@@H](N1)CO Z1203822229 [0,1,0,1,0,0|2,0,0]=4 618 B9R1.2 O=C1CNC[C@H](N1)CO Z1203822228 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.128 NCC1(CC1)CC(=O)N Z2335647091 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.128 NCC1(CC1)CC(=O)O Z2310723116 [0,1,0,1,0,0|1,0,0]=3 621 B9R1.128 O=C(O)CC1(CC1)CO Z1205656498 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.128 O=C(O)CC1(CC1)CS Z1205493686 [0,1,0,1,0,0|1,1,0]=4 623 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.113 COC(=O)CC1(CC1)N Z1820077282 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.36 N[C@@H]1CS(=O)(=O)C[C@H]1O Z2306829280 [0,1,0,1,0,0|1,0,1]=4 626 B9R1.139 CC1C(C1(F)F)C(=O)O Z1238543518 [0,1,0,1,0,0|2,0,0]=4 627 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.161 NC(=O)[C@@H]1C[C@@H]1C(=O)O Z1955831192 [0,1,0,1,0,0|1,0,1]=4 629 B9R1.170 O=C(O)CC1CC1(Cl)Cl Z1262533734 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,1,0,0|2,0,0]=4 631 B9R1.166 CC1(CNC1C(=O)O)C Z2690814529 [0,1,0,1,0,0|1,0,0]=3 632 B9R2.138 O=C1CC2(N1)CNC2 Z4557038052 [0,0,0,2,0,0|2,0,0]=4 633 B5R0.5 CC(=O)C(=O)O Z104495240 [1,0,0,0,1,0|0,0,2]=4 634 B5R0.5 CC(=O)C(C)N Z1263529525 [1,0,0,0,1,0|2,0,0]=4 635 B5R0.5 CC(Br)C(=O)O Z57127555 [1,0,0,0,1,0|1,0,0]=3 636 B5R0.5 CC(C)C(=O)N Z57046209 [1,0,0,0,1,0|2,0,0]=4 637 B5R0.5 CC(C)C(=O)O Z104473380 [1,0,0,0,1,0|1,0,0]=3 638 B5R0.5 CC(Cl)C(=O)N Z56924427 [1,0,0,0,1,0|2,0,0]=4 639 B5R0.5 CC(Cl)C(=O)O Z147646840 [1,0,0,0,1,0|1,0,0]=3 640 B5R0.5 CC(N)C(=O)N Z54749436 [1,0,0,0,1,0|2,0,0]=4 641 B5R0.5 CC(N)C(=O)O Z57396987 [1,0,0,0,1,0|1,0,0]=3 642 B5R0.5 CC(O)C(=N)N Z2216711526 [1,0,0,0,1,0|2,0,0]=4 643 B5R0.5 CC(O)C(=O)N Z57206008 [1,0,0,0,1,0|1,0,0]=3 644 B5R0.5 CC(O)C(C)O Z104473532 [1,0,0,0,1,0|1,0,1]=4 645 B5R0.5 CC(S)C(=O)O Z104477082 [1,0,0,0,1,0|0,1,0]=3 646 B5R0.5 C[C@@H](N)C(=O)O Z802692914 [1,0,0,0,1,0|1,0,0]=3 647 B5R0.5 C[C@H](N)C(=O)N Z359371050 [1,0,0,0,1,0|2,0,0]=4 648 B5R0.5 C[C@H](N)C(=O)O Z756424912 [1,0,0,0,1,0|1,0,0]=3 649 B5R0.5 O=C(O)C(=O)O Z1741978903 [1,0,0,0,1,0|1,0,1]=4 650 B5R0.5 O=C(O)C(Cl)Cl Z104476414 [1,0,0,0,1,0|2,0,0]=4 651 B5R0.5 O=C(O)C(F)F Z104474070 [1,0,0,0,1,0|2,0,0]=4