0 B8R0.28 CC(=CCCC(=O)O)C Z1198162635 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.28 CC(=CCNC(=N)N)C Z2687203850 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CC(=O)CCCC(=O)O Z147652222 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.28 CC(=O)NCCC(=O)O Z56886421 [0,0,0,0,0,0|3,0,1]=4 4 B8R0.28 CC(=O)OCCC(=O)O Z216124300 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,0,0,0,0,0|1,0,3]=4 6 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.28 CC(C)CNCC(C)C Z90514122 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.28 CC(C)COCC(C)N Z1262398413 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.28 CC(C)NCCN(C)C Z137545666 [0,0,0,0,0,0|3,0,1]=4 13 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,0,0,0,0,0|2,0,2]=4 14 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,0,0,0,0,0|3,0,1]=4 15 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,0,0,0,0,0|2,0,1]=3 16 B8R0.28 CC(O)CCCN(C)C Z902046982 [0,0,0,0,0,0|1,0,1]=2 17 B8R0.28 CC(O)CNCC(=O)[O-] Z3690977946 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.4 CC(=O)NCCCN Z295405102 [1,0,0,0,0,0|3,0,0]=4 19 B7R0.4 CC(=O)NCCCO Z353570744 [1,0,0,0,0,0|2,0,0]=3 20 B7R0.4 CC(C)CCCCN Z1250132304 [1,0,0,0,0,0|1,0,2]=4 21 B7R0.4 CC(C)CNCCO Z3269089575 [1,0,0,0,0,0|1,0,2]=4 22 B7R0.4 CC(C)NCCCO Z56799938 [1,0,0,0,0,0|1,0,1]=3 23 B7R0.4 CC(C)OCCCN Z2677507870 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.4 CC(C)OCCCO Z1080358780 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.4 CC(N)CCCCO Z2234185667 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.4 CCCCCC(=N)N Z3490473907 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.4 CCCCCC(C)N Z104495176 [1,0,0,0,0,0|1,0,2]=4 30 B7R0.4 CCCCNC(=S)N Z56930717 [1,0,0,0,0,0|3,0,0]=4 31 B7R0.4 CCCCOC(=O)N Z104476286 [1,0,0,0,0,0|3,0,0]=4 32 B7R0.4 CCCNCC(C)C Z90518190 [1,0,0,0,0,0|1,0,2]=4 33 B7R0.4 CCCSCC(=O)C Z447929234 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.4 CN(C)CCCCN Z285162754 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.4 CNCCCN(C)C Z138118060 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,0,0,0,0|3,0,0]=4 37 B7R0.4 COCCCC(=O)C Z406376722 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.4 COCCCC(C)O Z854048762 [1,0,0,0,0,0|1,0,1]=3 39 B7R0.4 COCCCN(C)C Z2894648941 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.4 NC(=O)NCCCO Z198194722 [1,0,0,0,0,0|3,0,0]=4 41 B7R0.4 O=C([O-])CCCCO Z2335631573 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.1 CC(C)CCCC(C)CN Z5875145536 [0,1,0,0,0,0|1,0,2]=4 43 B9R0.1 CC(C)CCNC(=O)CCl Z56886287 [0,1,0,0,0,0|3,0,0]=4 44 B9R0.1 CC(C)COCC(O)CN Z285181512 [0,1,0,0,0,0|1,0,2]=4 45 B9R0.1 CNC(=N)NCCC(C)C Z1347691724 [0,1,0,0,0,0|3,0,0]=4 46 B9R0.7 CC(=CCC(N)C(=O)O)C Z317024968 [0,1,0,0,0,0|1,0,1]=3 47 B9R0.7 CN(C)C(=O)CCC(=O)O Z270759422 [0,1,0,0,0,0|2,0,1]=4 48 B9R0.53 CC(C)CC(C)CC(C)C Z1255415595 [0,1,0,0,0,0|1,0,2]=4 49 B9R0.53 CC(C)CC(C)CC(C)O Z1238571962 [0,1,0,0,0,0|0,0,2]=3 50 B9R0.53 CC(C)CC(N)CC(C)C Z1263714098 [0,1,0,0,0,0|1,0,2]=4 51 B9R0.56 CC(O)CCCS(=O)(=O)C Z854048832 [0,1,0,0,0,0|2,0,1]=4 52 B9R0.56 CC(O)CNCC(C)(C)C Z4835620332 [0,1,0,0,0,0|1,0,2]=4 53 B9R0.56 CN(C)CCCC(C)(C)N Z1184860832 [0,1,0,0,0,0|2,0,1]=4 54 B9R1.35 CC(=O)N1CCC(C1)I Z1486011417 [0,0,0,1,0,0|3,0,0]=4 55 B9R1.35 CC(=O)N1CCC(C1)N Z1421529530 [0,0,0,1,0,0|3,0,0]=4 56 B9R1.35 CC(=O)N1CCC(C1)O Z1037571952 [0,0,0,1,0,0|2,0,0]=3 57 B9R1.35 CC(=O)N1CC[C@H](C1)N Z4485354356 [0,0,0,1,0,0|3,0,0]=4 58 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [0,0,0,1,0,0|3,0,0]=4 59 B9R1.35 CC1=CN=C(S1)C(C)O Z1136431626 [0,0,0,1,0,0|2,0,1]=4 60 B9R1.35 CC1=CSC(=N1)C(C)O Z1136431593 [0,0,0,1,0,0|2,0,1]=4 61 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,0,0,1,0,0|3,0,0]=4 62 B9R1.35 CC1COC(O1)C(C)C Z1198154966 [0,0,0,1,0,0|1,0,2]=4 63 B9R1.35 CN(C)[C@@H]1CC[C@@H](C1)N Z2568756766 [0,0,0,1,0,0|2,0,1]=4 64 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,0,0,1,0,0|2,0,1]=4 65 B9R1.46 CC(C)NCC1CC1C Z1262237271 [0,0,0,1,0,0|2,0,1]=4 66 B9R1.49 CC1CCCC(NC1)C Z1203830904 [0,0,0,1,0,0|1,0,2]=4 67 B9R1.49 CN1CCCC(CC1)N Z2310677587 [0,0,0,1,0,0|2,0,1]=4 68 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,0,0,1,0,0|2,0,1]=4 69 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,0,0,1,0,0|2,0,1]=4 70 B9R1.53 CN(C)C[C@H]1C[C@@H](C1)N Z2310678163 [0,0,0,1,0,0|2,0,1]=4 71 B9R1.66 CC1(CC(CCN1)O)C Z3234810851 [0,0,0,1,0,0|1,0,1]=3 72 B9R1.66 CC1(CC(CCO1)O)C Z1192342111 [0,0,0,1,0,0|1,0,1]=3 73 B9R1.66 CC1(CC(CCS1)N)C Z2740389324 [0,0,0,1,0,0|2,0,1]=4 74 B9R1.66 CC1(CCCC(C1)O)C Z1198148603 [0,0,0,1,0,0|0,0,2]=3 75 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,0,0,1,0,0|3,0,0]=4 76 B9R1.66 CC1(CNCC(C1)O)C Z2754447857 [0,0,0,1,0,0|1,0,2]=4 77 B9R1.66 CC1CC(CCN1)(C)O Z1813192877 [0,0,0,1,0,0|1,0,1]=3 78 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,0,0,1,0,0|2,0,1]=4 79 B9R1.66 CC1CCCC(C1)(C)O Z449370622 [0,0,0,1,0,0|0,0,2]=3 80 B9R1.66 CC1CCCC(N1)(C)C Z2939852869 [0,0,0,1,0,0|1,0,2]=4 81 B9R1.66 CC1CNCC(O1)(C)C Z432419530 [0,0,0,1,0,0|1,0,2]=4 82 B9R1.85 CC(C)CCNC1CC1 Z324553108 [0,0,0,1,0,0|2,0,1]=4 83 B9R1.85 CC(C)COCC1CO1 Z147642758 [0,0,0,1,0,0|1,0,2]=4 84 B9R1.85 CC(C)OCCC1CO1 Z1495386355 [0,0,0,1,0,0|1,0,1]=3 85 B9R1.150 CC1(CCCC1(C)N)C Z3479673019 [0,0,0,1,0,0|1,0,2]=4 86 B7R0.6 CC(=O)CCC(=O)O Z104477318 [0,0,0,0,1,0|2,0,1]=4 87 B7R0.6 CC(=O)NCC(C)O Z353603952 [0,0,0,0,1,0|2,0,0]=3 88 B7R0.6 CC(C)CCC(=N)N Z2522503133 [0,0,0,0,1,0|3,0,0]=4 89 B7R0.6 CC(C)CCC(=O)O Z56347204 [0,0,0,0,1,0|1,0,2]=4 90 B7R0.6 CC(C)CNC(C)C Z361996484 [0,0,0,0,1,0|2,0,1]=4 91 B7R0.6 CC(N)CCC(=O)O Z1235963367 [0,0,0,0,1,0|3,0,0]=4 92 B7R0.6 CC(N)CCN(C)C Z316119490 [0,0,0,0,1,0|2,0,0]=3 93 B7R0.6 CC(N)CCS(=O)C Z1269750451 [0,0,0,0,1,0|3,0,0]=4 94 B7R0.6 CC(O)CCC(=O)O Z838959470 [0,0,0,0,1,0|2,0,0]=3 95 B7R0.6 CC(O)CNC(C)C Z138692704 [0,0,0,0,1,0|1,0,1]=3 96 B7R0.6 CN(C)CCC(=O)O Z168912830 [0,0,0,0,1,0|2,0,1]=4 97 B7R0.6 CN(C)CCN(C)C Z56755629 [0,0,0,0,1,0|3,0,0]=4 98 B9R0.55 CC(=NOCCC(=O)O)C Z1205494264 [0,0,0,0,0,1|2,0,1]=4 99 B9R0.55 CC(C)CCNCC(C)C Z4894350750 [0,0,0,0,0,1|1,0,2]=4 100 B9R0.55 CC(O)CCCCN(C)C Z902046980 [0,0,0,0,0,1|1,0,1]=3 101 B6R0.4 C#CCCC(C)O Z854048672 [2,0,0,0,0,0|0,0,2]=4 102 B6R0.4 C=CCCC(=O)C Z406376894 [2,0,0,0,0,0|0,0,2]=4 103 B6R0.4 C=CCCC(=O)O Z995028722 [2,0,0,0,0,0|1,0,1]=4 104 B6R0.4 C=CCCC(C)N Z3681295487 [2,0,0,0,0,0|1,0,0]=3 105 B6R0.4 C=CCNC(C)C Z607822478 [2,0,0,0,0,0|2,0,0]=4 106 B6R0.4 C=COCC(C)C Z916978390 [2,0,0,0,0,0|2,0,0]=4 107 B6R0.4 CC(C)CCCN Z992716898 [2,0,0,0,0,0|1,0,1]=4 108 B6R0.4 CC(C)NCCO Z137800940 [2,0,0,0,0,0|1,0,1]=4 109 B6R0.4 CC(C)OCCO Z104478444 [2,0,0,0,0,0|1,0,1]=4 110 B6R0.4 CC(N)CCCO Z1203578676 [2,0,0,0,0,0|1,0,1]=4 111 B6R0.4 CC(O)CCCN Z1198178891 [2,0,0,0,0,0|1,0,1]=4 112 B6R0.4 CCCCC(=N)N Z1723418909 [2,0,0,0,0,0|2,0,0]=4 113 B6R0.4 CCCCC(=O)N Z104476278 [2,0,0,0,0,0|2,0,0]=4 114 B6R0.4 CCCCC(=O)O Z104473312 [2,0,0,0,0,0|2,0,0]=4 115 B6R0.4 CCCCC(C)N Z3300506318 [2,0,0,0,0,0|1,0,1]=4 116 B6R0.4 CCCNC(=O)C Z33030314 [2,0,0,0,0,0|2,0,0]=4 117 B6R0.4 CCNCC(C)C Z380844664 [2,0,0,0,0,0|1,0,1]=4 118 B6R0.4 CCNCC(C)O Z138692768 [2,0,0,0,0,0|1,0,1]=4 119 B6R0.4 CNCCC(=O)C Z1536943318 [2,0,0,0,0,0|2,0,0]=4 120 B6R0.4 CNCCC(C)C Z607822512 [2,0,0,0,0,0|1,0,1]=4 121 B6R0.4 CNCCC(C)O Z1203731868 [2,0,0,0,0,0|1,0,0]=3 122 B6R0.4 CNCCN(C)C Z138123106 [2,0,0,0,0,0|2,0,0]=4 123 B6R0.4 COCCC(=O)C Z362119682 [2,0,0,0,0,0|2,0,0]=4 124 B6R0.4 COCCC(C)N Z361881180 [2,0,0,0,0,0|2,0,0]=4 125 B6R0.4 COCCC(C)O Z818738042 [2,0,0,0,0,0|1,0,0]=3 126 B6R0.4 COCCN(C)C Z5121096537 [2,0,0,0,0,0|2,0,0]=4 127 B6R0.4 NC(=O)CCCO Z1203578394 [2,0,0,0,0,0|2,0,0]=4 128 B6R0.6 CCCCCCO Z104473568 [2,0,0,0,0,0|0,0,2]=4 129 B6R0.6 CCNCCCO Z138139914 [2,0,0,0,0,0|1,0,1]=4 130 B6R0.6 CCOCCCO Z1080358490 [2,0,0,0,0,0|1,0,1]=4 131 B6R0.6 CNCCCCO Z839096662 [2,0,0,0,0,0|1,0,1]=4 132 B6R0.6 COCCCCO Z431605254 [2,0,0,0,0,0|1,0,1]=4 133 B8R0.5 CC(C)CC(N)CCO Z223025192 [1,1,0,0,0,0|0,0,2]=4 134 B8R0.6 CCCCNC(=O)CCl Z56853747 [1,1,0,0,0,0|2,0,0]=4 135 B8R0.6 CCCCOC(=O)CN Z1266823221 [1,1,0,0,0,0|2,0,0]=4 136 B8R0.6 CCCCOC(=O)OC Z1238573230 [1,1,0,0,0,0|2,0,0]=4 137 B8R0.6 CNC(=O)NCCCO Z177090148 [1,1,0,0,0,0|2,0,0]=4 138 B8R0.7 CC(=O)NCCCCN Z600498842 [1,1,0,0,0,0|2,0,0]=4 139 B8R0.7 CC(C)CCCCCO Z1198149583 [1,1,0,0,0,0|0,0,2]=4 140 B8R0.7 CC(C)CCNCCO Z102766092 [1,1,0,0,0,0|0,0,2]=4 141 B8R0.7 CC(C)CCOCCO Z608482468 [1,1,0,0,0,0|0,0,2]=4 142 B8R0.7 CC(C)COCCCO Z1080358758 [1,1,0,0,0,0|0,0,2]=4 143 B8R0.7 CC(C)OCCCCO Z993012606 [1,1,0,0,0,0|0,0,2]=4 144 B8R0.7 CCCNCCN(C)C Z1250222486 [1,1,0,0,0,0|1,0,1]=4 145 B8R0.7 CCNCCNC(=O)C Z123868526 [1,1,0,0,0,0|2,0,0]=4 146 B8R0.7 CN(C)CCCCCN Z3247604067 [1,1,0,0,0,0|1,0,1]=4 147 B8R0.7 CN(C)CCCCCO Z968555516 [1,1,0,0,0,0|1,0,1]=4 148 B8R0.7 CN(C)CCNCCO Z137800968 [1,1,0,0,0,0|1,0,1]=4 149 B8R0.7 CNCCCCC(C)C Z5530305220 [1,1,0,0,0,0|0,0,2]=4 150 B8R0.7 CNCCCCN(C)C Z594229344 [1,1,0,0,0,0|1,0,1]=4 151 B8R0.7 CNCCCNC(=O)C Z1269638441 [1,1,0,0,0,0|2,0,0]=4 152 B8R0.7 COCCCOC(=O)C Z1123440688 [1,1,0,0,0,0|2,0,0]=4 153 B8R0.8 C/C=C/CC(N)C(=O)O Z3862089673 [1,1,0,0,0,0|1,0,1]=4 154 B8R0.8 CCCCC(C)C(=O)C Z727719632 [1,1,0,0,0,0|1,0,1]=4 155 B8R0.8 CCCCC(N)C(C)O Z2453175125 [1,1,0,0,0,0|0,0,2]=4 156 B8R0.8 CCNCC(=O)N(C)C Z104765936 [1,1,0,0,0,0|2,0,0]=4 157 B8R0.8 CN(C)C(=O)CCCN Z815264106 [1,1,0,0,0,0|2,0,0]=4 158 B8R0.8 CN(C)C(=O)CCCO Z839108358 [1,1,0,0,0,0|1,0,0]=3 159 B8R0.8 CN(C)C(=O)NCCO Z208334210 [1,1,0,0,0,0|2,0,0]=4 160 B8R0.8 COCCC(=O)C(C)C Z818737942 [1,1,0,0,0,0|1,0,1]=4 161 B8R0.8 CSCCC(=O)N(C)C Z32013664 [1,1,0,0,0,0|2,0,0]=4 162 B8R0.9 CC(C)CCC(N)CO Z1198179431 [1,1,0,0,0,0|0,0,2]=4 163 B8R0.9 CC(C)CCC(O)CO Z1617994519 [1,1,0,0,0,0|0,0,2]=4 164 B8R0.9 CC(C)NCC(O)CO Z385465736 [1,1,0,0,0,0|1,0,1]=4 165 B8R0.9 CCC(C)CCC(=O)C Z955111260 [1,1,0,0,0,0|1,0,1]=4 166 B8R0.9 CCC(O)CCC(C)C Z838962512 [1,1,0,0,0,0|0,0,2]=4 167 B8R0.21 CC(C)(C)NCCCO Z1268152325 [1,1,0,0,0,0|1,0,1]=4 168 B8R0.21 CC(C)(O)CCCCO Z1725965028 [1,1,0,0,0,0|0,0,2]=4 169 B8R0.23 CC(C)C(N)CN(C)C Z2313092275 [0,1,0,0,1,0|2,0,0]=4 170 B8R0.29 CC(=O)CCC(C)(C)C Z992965824 [0,1,0,0,1,0|2,0,0]=4 171 B8R0.29 CC(C)(O)CCC(=O)[O-] Z1718361752 [0,1,0,0,1,0|2,0,0]=4 172 B8R0.29 CC(C)NCC(C)(C)O Z600453554 [0,1,0,0,1,0|1,0,1]=4 173 B8R0.29 CN(C)CCC(C)(C)N Z3178894903 [0,1,0,0,1,0|2,0,0]=4 174 B10R0.96 CC(N)CCC(=O)OC(C)C Z1945708513 [0,1,0,0,0,1|1,0,1]=4 175 B10R0.3 C/C(=C\CO)/CCCC(C)C Z2583205813 [0,2,0,0,0,0|1,0,1]=4 176 B10R0.3 CC(=CCC/C(=C/C=O)/C)C Z104478042 [0,2,0,0,0,0|0,0,2]=4 177 B10R0.3 CC(=CCC/C(=C/CO)/C)C Z104473544 [0,2,0,0,0,0|0,0,1]=3 178 B10R0.3 CC(=CCCC(C)CC=O)C Z104497952 [0,2,0,0,0,0|0,0,1]=3 179 B10R0.65 C=CC(C)(O)CCC=C(C)C Z1255402668 [0,2,0,0,0,0|0,0,0]=2 180 B10R0.65 CC(=O)CCCC(C)(C)CO Z1513606539 [0,2,0,0,0,0|1,0,1]=4 181 B10R0.12 CC(C)CCC(=O)C(C)(C)C Z406377852 [0,2,0,0,0,0|1,0,1]=4 182 B10R0.13 CC(C)CC(N)C(=O)N(C)C Z415636836 [0,2,0,0,0,0|2,0,0]=4 183 B8R1.1 CCC1CNC(=O)C1 Z1198235318 [1,0,0,1,0,0|2,0,0]=4 184 B8R1.1 CN1CCC(C1)CO Z976730728 [1,0,0,1,0,0|1,0,1]=4 185 B8R1.1 O=C1CC(CN1)CO Z1201625841 [1,0,0,1,0,0|2,0,0]=4 186 B8R1.4 CC1=CC(CCC1)O Z1255423437 [1,0,0,1,0,0|0,0,2]=4 187 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [1,0,0,1,0,0|1,0,1]=4 188 B8R1.4 CC1CCCC(=O)C1 Z56899044 [1,0,0,1,0,0|1,0,1]=4 189 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [1,0,0,1,0,0|2,0,0]=4 190 B8R1.4 CN1CC(CCO1)O Z5948414894 [1,0,0,1,0,0|2,0,0]=4 191 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [1,0,0,1,0,0|1,0,1]=4 192 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [1,0,0,1,0,0|1,0,1]=4 193 B8R1.4 O=C1CC(CCN1)O Z1198221829 [1,0,0,1,0,0|2,0,0]=4 194 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [1,0,0,1,0,0|2,0,0]=4 195 B8R1.6 CCOC1CC(C1)O Z1273088178 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.7 CC(=O)C1CCCC1 Z513735352 [1,0,0,1,0,0|1,0,1]=4 197 B8R1.7 CC(O)C1CCNC1 Z1198184307 [1,0,0,1,0,0|1,0,1]=4 198 B8R1.7 CC(O)C1CCOC1 Z1138843471 [1,0,0,1,0,0|1,0,1]=4 199 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [1,0,0,1,0,0|1,0,1]=4 200 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [1,0,0,1,0,0|1,0,1]=4 201 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [1,0,0,1,0,0|1,0,1]=4 202 B8R1.19 CC1CCNC1(C)C Z4775586804 [1,0,0,1,0,0|1,0,1]=4 203 B8R1.22 CC1CCNCCO1 Z2855997854 [1,0,0,1,0,0|1,0,1]=4 204 B8R1.22 CC1COCCCN1 Z1216819161 [1,0,0,1,0,0|1,0,1]=4 205 B8R1.22 NC1CCC=CCC1 Z2824346881 [1,0,0,1,0,0|1,0,0]=3 206 B8R1.22 O=C1CCCCCC1 Z104473100 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.22 O=C1COCCCN1 Z1203733065 [1,0,0,1,0,0|2,0,0]=4 208 B8R1.22 OC1CCCNCC1 Z1198309797 [1,0,0,1,0,0|1,0,1]=4 209 B8R1.34 CC(=O)CC1CCC1 Z1263592386 [1,0,0,1,0,0|1,0,1]=4 210 B8R1.34 CC(C)NC1CCC1 Z1250100767 [1,0,0,1,0,0|1,0,1]=4 211 B8R1.35 CC(=O)CCC1CC1 Z1233207768 [1,0,0,1,0,0|1,0,1]=4 212 B8R1.35 CC(C)CCC1CO1 Z1495386123 [1,0,0,1,0,0|0,0,2]=4 213 B8R1.35 CC(C)OCC1CO1 Z147642824 [1,0,0,1,0,0|1,0,1]=4 214 B8R1.35 CC(C)OC[C@@H]1CO1 Z1993604786 [1,0,0,1,0,0|1,0,1]=4 215 B8R1.35 CC(C)OC[C@H]1CO1 Z1993604787 [1,0,0,1,0,0|1,0,1]=4 216 B8R1.36 CCCCNC1CC1 Z361993970 [1,0,0,1,0,0|1,0,1]=4 217 B8R1.36 CCOCCC1CO1 Z1495386137 [1,0,0,1,0,0|1,0,1]=4 218 B8R1.36 OCCCNC1CC1 Z138414456 [1,0,0,1,0,0|1,0,1]=4 219 B8R1.72 CC1(C=CCCC1)O Z1691624687 [1,0,0,1,0,0|0,0,2]=4 220 B8R1.72 CC1(CC=CCC1)N Z2286631083 [1,0,0,1,0,0|1,0,0]=3 221 B8R1.72 CC1(CC=CCN1)C Z4198556901 [1,0,0,1,0,0|2,0,0]=4 222 B8R1.72 CC1(CCCCC1)O Z449370586 [1,0,0,1,0,0|0,0,2]=4 223 B8R1.72 CC1(CCCCN1)C Z3243651326 [1,0,0,1,0,0|1,0,1]=4 224 B8R1.72 CC1(CCNCC1)O Z1416200885 [1,0,0,1,0,0|1,0,1]=4 225 B8R1.3 CC1=CCC(CC1)N Z3857655203 [0,0,0,1,1,0|1,0,0]=3 226 B8R1.3 CC1CCC(=O)CC1 Z57073963 [0,0,0,1,1,0|2,0,0]=4 227 B8R1.3 CC1CCC(CC1)O Z104476106 [0,0,0,1,1,0|0,0,1]=3 228 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,0,0,1,1,0|1,0,1]=4 229 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,0,0,1,1,0|1,0,1]=4 230 B8R1.3 CC1COC(CN1)C Z327218388 [0,0,0,1,1,0|1,0,1]=4 231 B8R1.3 CN1CCC(CC1)N Z89283296 [0,0,0,1,1,0|2,0,0]=4 232 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,0,0,1,1,0|1,0,1]=4 233 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,0,0,1,1,0|1,0,1]=4 234 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,0,0,1,1,0|1,0,1]=4 235 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,0,0,1,1,0|2,0,0]=4 236 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,0,0,1,1,0|1,0,1]=4 237 B8R1.23 CC(C)C1CC(C1)N Z3590414574 [0,0,0,1,1,0|1,0,1]=4 238 B8R1.23 CN(C)C1CC(C1)N Z2010010268 [0,0,0,1,1,0|2,0,0]=4 239 B8R1.23 O=C([O-])[C@H]1C[C@@H](C1)O Z4399321929 [0,0,0,1,1,0|2,0,0]=4 240 B8R1.51 CC1CCC(C1)(C)N Z4358474993 [0,0,0,1,1,0|1,0,1]=4 241 B8R1.51 CC1CCC(N1)(C)C Z2238934548 [0,0,0,1,1,0|1,0,1]=4 242 B8R1.51 CN1CCC(C1)(C)N Z2805881504 [0,0,0,1,1,0|2,0,0]=4 243 B10R1.113 CC1CCNC(C1)C(C)O Z1197886054 [0,0,0,1,0,1|0,0,2]=4 244 B10R1.113 CN(C)C1CCCC(C1)O Z3474148150 [0,0,0,1,0,1|1,0,1]=4 245 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C Z1255430958 [0,1,0,1,0,0|1,0,1]=4 246 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C Z1255486311 [0,1,0,1,0,0|1,0,1]=4 247 B10R1.13 CC(C)C1CCC(CC1)O Z995158660 [0,1,0,1,0,0|0,0,2]=4 248 B10R1.13 CC1=CCC(CC1)C(=O)O Z1205493665 [0,1,0,1,0,0|1,0,1]=4 249 B10R1.14 CC1CCC(O1)C(=O)CCl Z1438314966 [0,1,0,1,0,0|1,0,1]=4 250 B10R1.79 O=C1CCCC(CCC1)O Z1198158812 [0,1,0,1,0,0|1,0,1]=4 251 B10R1.171 CC1(CC(CCN1)CO)C Z3766472099 [0,1,0,1,0,0|1,0,1]=4 252 B10R1.171 CC1(CCCC(C1)CO)C Z1268631988 [0,1,0,1,0,0|0,0,2]=4 253 B10R1.171 CC1(CCCC(O1)CN)C Z1836444614 [0,1,0,1,0,0|0,0,2]=4 254 B10R1.171 COC1CCNC(C1)(C)C Z3716847980 [0,1,0,1,0,0|1,0,1]=4 255 B10R1.197 O=C1CCC(CCN1)CO Z1721788341 [0,1,0,1,0,0|2,0,0]=4 256 B10R1.350 CC(C)CCCC1(CO1)C Z2751120900 [0,1,0,1,0,0|0,0,2]=4 257 B10R1.479 CC1(CCCC1(O)CN)C Z1350880378 [0,1,0,1,0,0|0,0,2]=4 258 B10R1.479 CC1(OCCC1(O)CN)C Z5607177975 [0,1,0,1,0,0|1,0,1]=4 259 B10R1.485 CC1CCCC(C1)(O)CN Z419085008 [0,1,0,1,0,0|0,0,2]=4 260 B10R1.485 CN1CCCC(C1)(C)CO Z1198175705 [0,1,0,1,0,0|1,0,1]=4 261 B10R1.58 CC(C)N1C[C@H]([C@@H](C1)O)N Z2306938356 [0,1,0,1,0,0|1,0,1]=4 262 B10R1.81 CN(C)C(=O)N1CC(C1)O Z1084809518 [0,1,0,1,0,0|2,0,0]=4 263 B10R1.120 CC1(CC(CNC1=O)O)C Z2582782763 [0,1,0,1,0,0|1,0,1]=4 264 B10R1.147 CC1(C[C@H]([C@H](CN1)O)O)C Z3681512353 [0,1,0,1,0,0|1,0,1]=4 265 B10R1.147 CC1=C(CC(CC1)(C)N)C Z2941519621 [0,1,0,1,0,0|1,0,0]=3 266 B10R1.147 CC1CC(CCC1=O)(C)C Z1330860174 [0,1,0,1,0,0|1,0,1]=4 267 B10R1.147 CN1CC(CCC1=O)(C)N Z3689012210 [0,1,0,1,0,0|2,0,0]=4 268 B10R1.329 CC1(C[C@H](C[C@@H](C1)O)O)C Z4958450732 [0,1,0,1,0,0|0,0,2]=4 269 B10R1.329 CC1=CC(CC(C1)(C)C)O Z104478472 [0,1,0,1,0,0|1,0,0]=3 270 B10R1.112 CC(C)(C)OC1CC(C1)O Z1273088458 [0,1,0,1,0,0|1,0,1]=4 271 B10R1.112 CC(C)(C)O[C@H]1C[C@H](C1)O Z1897476569 [0,1,0,1,0,0|1,0,1]=4 272 B10R1.307 CC1(CCCC(C1)(C)O)C Z1229797357 [0,1,0,1,0,0|0,0,2]=4 273 B10R2.28 C[C@]1(C[C@H]2C[C@@H]1CN2)O Z4690434296 [0,0,0,2,0,0|1,0,1]=4 274 B10R2.64 O=C1C[C@H]2[C@@H](C[C@H]2N1)O Z3304095494 [0,0,0,2,0,0|2,0,0]=4 275 B10R2.357 CC(=O)N1CC2OC2C1 Z1999525202 [0,0,0,2,0,0|2,0,0]=4 276 B10R2.249 CC1(CCC2OC2C1)C Z1227597009 [0,0,0,2,0,0|0,0,2]=4 277 B10R2.267 O=C1CC(N1)CC2CO2 Z3326502629 [0,0,0,2,0,0|2,0,0]=4 278 B10R2.189 CC1(CCCC2C1O2)C Z1350651857 [0,0,0,2,0,0|0,0,2]=4 279 B10R2.534 OC1CCCC2(C1)CC2 Z1896433637 [0,0,0,2,0,0|0,0,2]=4 280 B6R0.2 CC(=CC(=O)O)C Z104480144 [0,0,0,0,2,0|1,0,1]=4 281 B6R0.2 CC(=O)CC(C)N Z57329385 [0,0,0,0,2,0|2,0,0]=4