0 B7R0.4 CC(C)C/C=C/CO Z1813145997 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CC(C)CCCCN Z1250132304 [0,0,0,0,0,0|3,0,0]=3 2 B7R0.4 CC(C)CNCCO Z3269089575 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(C)COCCN Z594038266 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.4 CC(C)CSCCN Z1520645037 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.4 CC(C)NCCCO Z56799938 [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CC(C)OCCC#N Z317037874 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.4 CC(C)OCCCN Z2677507870 [0,0,0,0,0,0|4,0,0]=4 8 B7R0.4 CC(C)OCCCO Z1080358780 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.4 CC(N)CCCCN Z2186882580 [0,0,0,0,0,0|4,0,0]=4 10 B7R0.4 CC(N)CCCCO Z2234185667 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 CCCCCC(C)N Z104495176 [0,0,0,0,0,0|4,0,0]=4 12 B7R0.4 CCCNCC(C)C Z90518190 [0,0,0,0,0,0|4,0,0]=4 13 B7R0.4 CN(C)CCCC#N Z168912116 [0,0,0,0,0,0|4,0,0]=4 14 B7R0.4 CN(C)CCCCN Z285162754 [0,0,0,0,0,0|4,0,0]=4 15 B7R0.4 CNCCCN(C)C Z138118060 [0,0,0,0,0,0|3,0,1]=4 16 B7R0.4 COCCCC(C)O Z854048762 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.4 COCCCN(C)C Z2894648941 [0,0,0,0,0,0|4,0,0]=4 18 B6R0.4 C#CCCC(C)O Z854048672 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.4 C#CCNC(C)C Z2855995857 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.4 C=CCCC(C)N Z3681295487 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 C=CCNC(C)C Z607822478 [1,0,0,0,0,0|3,0,0]=4 22 B6R0.4 C=COCC(C)C Z916978390 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CC(C)CCCN Z992716898 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CC(C)CN=C=S Z87001659 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.4 CC(C)NCC#N Z224190250 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(C)NCCN Z3375885739 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(C)NCCO Z137800940 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(C)OCC#N Z295206482 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 CC(C)OCCN Z1688198421 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 CC(C)OCCO Z104478444 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.4 CC(C)SCCN Z2092369402 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 CC(N)CCCN Z2230911100 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 CC(N)CCCO Z1203578676 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 CC(O)CCCN Z1198178891 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 CCCCC(C)N Z3300506318 [1,0,0,0,0,0|3,0,0]=4 36 B6R0.4 CCNCC(C)C Z380844664 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.4 CCOCC(C)N Z839575202 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.4 CN(C)CCC#N Z57980324 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.4 CNCCC(C)C Z607822512 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.4 CNCCC(C)O Z1203731868 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.4 CNCCN(C)C Z138123106 [1,0,0,0,0,0|2,0,1]=4 42 B6R0.4 COCCC(=O)C Z362119682 [1,0,0,0,0,0|2,0,1]=4 43 B6R0.4 COCCC(C)N Z361881180 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.4 COCCC(C)O Z818738042 [1,0,0,0,0,0|2,0,0]=3 45 B6R0.4 COCCN(C)C Z5121096537 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|2,0,1]=4 47 B6R0.6 CCCCN=C=S Z104473876 [1,0,0,0,0,0|2,1,0]=4 48 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|3,0,0]=4 49 B6R0.6 COCCN=C=O Z1094719556 [1,0,0,0,0,0|3,0,0]=4 50 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,1,0,0,0,0|2,0,1]=4 51 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.5 CNCC(N)CC(C)C Z756920456 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.6 CCSCCC(C)NC Z1238713350 [0,1,0,0,0,0|2,1,0]=4 54 B8R0.7 CC(C)CCCCCO Z1198149583 [0,1,0,0,0,0|2,0,1]=4 55 B8R0.7 CC(C)CCNCCO Z102766092 [0,1,0,0,0,0|2,0,1]=4 56 B8R0.7 CC(C)CCOCCO Z608482468 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.7 CC(C)COCCC#N Z317037868 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.7 CC(C)COCCCO Z1080358758 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.7 CC(C)CSCCCN Z57970257 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.7 CC(C)OCCCC#N Z295206484 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.7 CC(C)OCCCCO Z993012606 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.7 CN(C)CCCN=C=S Z57046236 [0,1,0,0,0,0|2,1,0]=4 63 B8R0.7 CNCCCCC(C)C Z5530305220 [0,1,0,0,0,0|2,0,1]=4 64 B8R0.7 COCCNCC(C)C Z90501879 [0,1,0,0,0,0|3,0,0]=4 65 B8R0.8 COCCC(N)C(C)C Z4913680141 [0,1,0,0,0,0|3,0,0]=4 66 B8R0.8 COCCC(O)C(C)C Z818738034 [0,1,0,0,0,0|3,0,0]=4 67 B8R0.9 CC(C)CC/C(=N/O)/N Z285132796 [0,1,0,0,0,0|1,0,1]=3 68 B8R0.9 CC(C)CCC(=O)NO Z59183904 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,1,0,0,0,0|2,0,1]=4 70 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,1,0,0,0,0|3,0,0]=4 72 B8R0.9 CNC(C)CCC(C)C Z5023051600 [0,1,0,0,0,0|2,0,1]=4 73 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.28 CC(C)CCCC(=O)O Z426022098 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.28 CC(C)CCNC(=N)N Z1089993920 [0,1,0,0,0,0|3,0,0]=4 76 B8R0.28 CC(C)CCNC(=O)N Z56904577 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.28 CC(C)CCNC(=S)N Z56930716 [0,1,0,0,0,0|2,1,0]=4 78 B8R0.28 CC(C)CNCC(=O)N Z234894923 [0,1,0,0,0,0|3,0,0]=4 79 B8R0.28 CC(C)CNCC(=O)O Z1259273209 [0,1,0,0,0,0|3,0,0]=4 80 B8R0.28 CC(C)CSCC(=O)O Z96112845 [0,1,0,0,0,0|3,0,0]=4 81 B8R0.28 CC(C)NCCC(=O)O Z235348215 [0,1,0,0,0,0|3,0,0]=4 82 B8R0.28 CC(C)OCCC(=O)O Z316259248 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,1,0,0,0,0|3,0,0]=4 84 B8R0.28 CC(O)CCCC(=O)[O-] Z1762997411 [0,1,0,0,0,0|3,0,0]=4 85 B8R1.1 CC1CCC(C1)C=O Z1268606446 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|2,0,0]=3 89 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,0|3,0,0]=4 90 B8R1.4 CC1CCCC(C1)N Z367450918 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|2,0,0]=3 92 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,0,0,1,0,0|3,0,0]=4 93 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|3,0,0]=4 95 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,0,0,1,0,0|3,0,0]=4 97 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,0|3,0,0]=4 98 B8R1.6 CC1CC(C1)CCN Z4810246631 [0,0,0,1,0,0|3,0,0]=4 99 B8R1.6 CCOC1CC(C1)O Z1273088178 [0,0,0,1,0,0|3,0,0]=4 100 B8R1.7 CC(C)C1CCNC1 Z1405445651 [0,0,0,1,0,0|2,0,1]=4 101 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.7 CC(O)C1CCOC1 Z1138843471 [0,0,0,1,0,0|3,0,0]=4 103 B8R1.7 C[C@@H](O)C1CCOC1 Z1259149358 [0,0,0,1,0,0|3,0,0]=4 104 B8R1.7 C[C@H](O)C1CCOC1 Z1259149356 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.19 CC1(CCCC1=O)C Z1238544226 [0,0,0,1,0,0|2,0,0]=3 108 B8R1.19 CC1(CCNC1=O)C Z1201628732 [0,0,0,1,0,0|2,0,0]=3 109 B8R1.19 CC1(CCNC1=O)N Z2718904456 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.19 CC1(CCOC1=O)C Z1255431712 [0,0,0,1,0,0|1,0,0]=2 111 B8R1.19 CC1(CCOC1=O)N Z1509069031 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.19 CC1(COCC1=O)C Z1513611826 [0,0,0,1,0,0|3,0,0]=4 113 B8R1.19 CC1(NCCC1=O)C Z3235143689 [0,0,0,1,0,0|3,0,0]=4 114 B8R1.19 CC1NCCC1(C)C Z3016741300 [0,0,0,1,0,0|3,0,0]=4 115 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.22 CC1CCCCNC1 Z1723849152 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.22 CC1CCCNCC1 Z425362298 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.22 CC1CCOCCN1 Z2940715295 [0,0,0,1,0,0|3,0,0]=4 119 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.36 CCNCCC1CC1 Z826524836 [0,0,0,1,0,0|3,0,0]=4 121 B8R1.36 CCOCCC1CO1 Z1495386137 [0,0,0,1,0,0|3,0,0]=4 122 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,0,0,1,0,0|2,0,0]=3 123 B8R1.43 CC(C)[C@@H]1C[C@H]1CN Z2235814456 [0,0,0,1,0,0|3,0,0]=4 124 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,0,0,1,0,0|3,0,0]=4 125 B8R1.72 CC1(CCCNC1)C Z1182379631 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.72 CC1(CCNCC1)C Z1198394222 [0,0,0,1,0,0|3,0,0]=4 127 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|1,0,1]=4 128 B5R0.1 CC(C)CC#N Z104473272 [2,0,0,0,0,0|0,0,2]=4 129 B5R0.1 CC(C)CCO Z104473558 [2,0,0,0,0,0|0,0,0]=2 130 B5R0.1 CC(C)NC=O Z1201617634 [2,0,0,0,0,0|1,0,1]=4 131 B5R0.1 CC(N)CCO Z385458430 [2,0,0,0,0,0|1,0,0]=3 132 B5R0.1 CC(O)CCN Z802904114 [2,0,0,0,0,0|1,0,1]=4 133 B5R0.1 CC(O)CCO Z104473530 [2,0,0,0,0,0|1,0,0]=3 134 B5R0.1 CCCC(C)N Z2417819590 [2,0,0,0,0,0|2,0,0]=4 135 B5R0.1 CN(C)CCF Z5487577684 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 CN(C)CCO Z104473552 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 CN(C)CCS Z362025514 [2,0,0,0,0,0|1,1,0]=4 138 B5R0.1 CNCC(C)C Z951367674 [2,0,0,0,0,0|1,0,1]=4 139 B5R0.1 COCC(C)O Z825742124 [2,0,0,0,0,0|2,0,0]=4 140 B5R0.1 COC[C@@H](C)N Z1270482298 [2,0,0,0,0,0|2,0,0]=4 141 B5R0.1 COC[C@H](C)N Z1270502316 [2,0,0,0,0,0|2,0,0]=4 142 B5R0.1 C[C@@H](N)CCO Z1526453858 [2,0,0,0,0,0|1,0,0]=3 143 B5R0.1 C[C@@H](O)CCN Z1860991703 [2,0,0,0,0,0|1,0,1]=4 144 B5R0.2 CCCCC=O Z104472992 [2,0,0,0,0,0|1,0,0]=3 145 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 146 B5R0.2 CNCCOC Z1259162131 [2,0,0,0,0,0|2,0,0]=4 147 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|2,0,0]=4 148 B5R0.2 COCCOC Z104473014 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.2 CC(C)CC(C)C#N Z415654744 [1,1,0,0,0,0|1,0,1]=4 150 B7R0.2 CC(C)CC(C)CO Z1198147790 [1,1,0,0,0,0|1,0,1]=4 151 B7R0.2 CC(C)CC(N)C#N Z449369050 [1,1,0,0,0,0|1,0,1]=4 152 B7R0.2 CC(C)CC(N)CN Z425861052 [1,1,0,0,0,0|1,0,1]=4 153 B7R0.2 CC(C)CC(N)CO Z734151210 [1,1,0,0,0,0|1,0,1]=4 154 B7R0.2 CC(C)CC(O)CN Z1259162114 [1,1,0,0,0,0|1,0,1]=4 155 B7R0.3 CC(CN)CCCO Z2234185702 [1,1,0,0,0,0|1,0,1]=4 156 B7R0.3 CCC(N)CCOC Z818738108 [1,1,0,0,0,0|2,0,0]=4 157 B7R0.3 CCCCC(C)NC Z446022384 [1,1,0,0,0,0|2,0,0]=4 158 B7R0.3 COCCC(C)CN Z879061310 [1,1,0,0,0,0|1,0,0]=3 159 B7R0.5 C#CCC(O)C(C)C Z969111562 [1,1,0,0,0,0|2,0,0]=4 160 B7R0.5 CC(C)C(C)CCN Z4760484132 [1,1,0,0,0,0|1,0,1]=4 161 B7R0.5 CC(C)C(N)CCO Z979743766 [1,1,0,0,0,0|1,0,1]=4 162 B7R0.5 CC(C)C(O)CC#N Z1255499091 [1,1,0,0,0,0|1,0,1]=4 163 B7R0.5 CC(C)C(O)CCN Z1203588096 [1,1,0,0,0,0|1,0,1]=4 164 B7R0.5 CC(C)C(O)CCO Z1532770488 [1,1,0,0,0,0|1,0,1]=4 165 B7R0.5 CNCC(C)C(C)C Z3894049929 [1,1,0,0,0,0|1,0,1]=4 166 B7R0.5 CNCC(N)C(C)C Z756920458 [1,1,0,0,0,0|1,0,1]=4 167 B7R0.5 COCC(=O)C(C)C Z825742022 [1,1,0,0,0,0|1,0,1]=4 168 B7R0.5 COCC(N)C(C)C Z825742262 [1,1,0,0,0,0|1,0,0]=3 169 B7R0.6 CC(C)CCC(=N)N Z2522503133 [1,1,0,0,0,0|1,0,0]=3 170 B7R0.6 CC(C)CCC(=O)O Z56347204 [1,1,0,0,0,0|1,0,0]=3 171 B7R0.6 CC(C)CNC(=O)N Z56895708 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.6 CC(C)NCC(=O)N Z56969693 [1,1,0,0,0,0|2,0,0]=4 173 B7R0.6 CC(C)NCC(=O)O Z359419672 [1,1,0,0,0,0|2,0,0]=4 174 B7R0.6 CC(C)OCC(=N)N Z1511495251 [1,1,0,0,0,0|2,0,0]=4 175 B7R0.6 CC(C)OCC(=O)O Z316259244 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.6 CC(C)SCC(=O)O Z214812600 [1,1,0,0,0,0|2,0,0]=4 177 B7R0.6 CC(N)CCC(=O)O Z1235963367 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.6 CC(N)CCS(=O)C Z1269750451 [1,1,0,0,0,0|1,1,0]=4 179 B7R0.6 CC(O)CCC(=O)O Z838959470 [1,1,0,0,0,0|2,0,0]=4 180 B7R0.6 CN(C)CCC(=N)N Z2582511037 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.6 CN(C)CCC(=O)N Z168912842 [1,1,0,0,0,0|2,0,0]=4 182 B7R0.6 CN(C)CCC(=O)O Z168912830 [1,1,0,0,0,0|2,0,0]=4 183 B7R0.8 CC(C)(C)CCC#N Z819990894 [1,1,0,0,0,0|1,0,1]=4 184 B7R0.8 CC(C)(C)CCCN Z819989370 [1,1,0,0,0,0|1,0,1]=4 185 B7R0.8 CC(C)(C)CCCO Z1183459256 [1,1,0,0,0,0|1,0,1]=4 186 B7R0.8 CC(C)(N)CCCN Z1184860919 [1,1,0,0,0,0|1,0,1]=4 187 B7R0.8 CC(C)(O)CCCO Z1255438724 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.8 CCCCC(C)(C)N Z4437707785 [1,1,0,0,0,0|2,0,0]=4 189 B7R0.8 CNCCC(C)(C)C Z2380417739 [1,1,0,0,0,0|1,0,1]=4 190 B7R0.8 CNCCC(C)(C)N Z2313105672 [1,1,0,0,0,0|1,0,1]=4 191 B7R0.8 COCCC(C)(C)N Z879061970 [1,1,0,0,0,0|1,0,0]=3 192 B7R0.1 CCCCOCCN Z409191398 [1,1,0,0,0,0|2,0,0]=4 193 B7R0.1 CCNCCOCC Z138138014 [1,1,0,0,0,0|2,0,0]=4 194 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|2,0,0]=4 195 B9R0.53 CC(C)CC(C)CC(=O)O Z352782544 [0,2,0,0,0,0|2,0,0]=4 196 B9R0.53 CC(C)CC(N)CC(=O)O Z3251695059 [0,2,0,0,0,0|2,0,0]=4 197 B9R0.1 CC(C)CCNC(=O)CCl Z56886287 [0,2,0,0,0,0|2,0,0]=4 198 B9R0.1 CN(C)CCOC(=O)CO Z3303138104 [0,2,0,0,0,0|2,0,0]=4 199 B9R0.2 CC(C)CCOCCC#N Z317037852 [0,2,0,0,0,0|2,0,0]=4 200 B9R0.2 CC(C)NCCOCCN Z1323539861 [0,2,0,0,0,0|2,0,0]=4 201 B9R0.2 CC(C)NCCOCCO Z2017842782 [0,2,0,0,0,0|1,0,1]=4 202 B9R0.55 CC(C)CCCCC(=O)O Z1198148498 [0,2,0,0,0,0|2,0,0]=4 203 B9R0.55 CC(C)CCOCC(=O)O Z316259082 [0,2,0,0,0,0|1,0,0]=3 204 B9R0.55 CC(C)CCSCC(=O)O Z228589154 [0,2,0,0,0,0|1,1,0]=4 205 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,2,0,0,0,0|2,0,0]=4 206 B9R0.55 CC(C)COCCC(=O)O Z316259216 [0,2,0,0,0,0|2,0,0]=4 207 B9R0.55 CC(C)CSCCC(=O)O Z54708723 [0,2,0,0,0,0|2,0,0]=4 208 B9R0.55 CC(C)NCCCC(=O)O Z235348217 [0,2,0,0,0,0|2,0,0]=4 209 B9R0.55 CC(C)OCCCC(=O)O Z316259254 [0,2,0,0,0,0|2,0,0]=4 210 B9R0.7 CC(C)C(N)CCC(=O)O Z4607148563 [0,2,0,0,0,0|2,0,0]=4 211 B9R0.7 CC(C)CCC(N)C(=O)O Z1259339953 [0,2,0,0,0,0|2,0,0]=4 212 B9R0.56 CC(=O)OCC[N+](C)(C)C Z600425176 [0,2,0,0,0,0|2,0,0]=4 213 B9R0.56 CC(C)(C)CCCC(=O)O Z819995404 [0,2,0,0,0,0|2,0,0]=4 214 B9R0.56 C[N+](C)(C)CCOC(=O)N Z1255415481 [0,2,0,0,0,0|2,0,0]=4 215 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|2,0,0]=4 216 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|2,0,0]=4 217 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|2,0,0]=4 218 B7R1.2 CC1CCC(C1)O Z1233224917 [1,0,0,1,0,0|1,0,1]=4 219 B7R1.2 CC1CNC(=N)C1 Z4085233400 [1,0,0,1,0,0|2,0,0]=4 220 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|2,0,0]=4 221 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|2,0,0]=4 222 B7R1.2 NC1CCS(=O)C1 Z1267860904 [1,0,0,1,0,0|1,1,0]=4 223 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [1,0,0,1,0,0|1,0,1]=4 224 B7R1.3 NC1CCOCC1 Z600428352 [1,0,0,1,0,0|2,0,0]=4 225 B7R1.3 OC1CCOCC1 Z1359429523 [1,0,0,1,0,0|2,0,0]=4 226 B7R1.3 OC1CCONC1 Z3325124334 [1,0,0,1,0,0|1,0,1]=4 227 B7R1.5 CC1CC1CCN Z4888675966 [1,0,0,1,0,0|1,0,1]=4 228 B7R1.5 CNCC1CC1C Z3752925195 [1,0,0,1,0,0|1,0,1]=4 229 B7R1.7 CNCCC1CC1 Z1480642691 [1,0,0,1,0,0|1,0,1]=4 230 B7R1.7 COCCC1CO1 Z1495386141 [1,0,0,1,0,0|2,0,0]=4 231 B7R1.7 NCCCC1CC1 Z2465611603 [1,0,0,1,0,0|1,0,1]=4 232 B7R1.7 O=C=NCC1CC1 Z826525040 [1,0,0,1,0,0|2,0,0]=4 233 B7R1.7 O=CCCC1CC1 Z1233208002 [1,0,0,1,0,0|1,0,0]=3 234 B7R1.12 CC(C)[C@@H]1C[C@H]1N Z2285053182 [1,0,0,1,0,0|1,0,1]=4 235 B7R1.14 CC1(CCCN1)C Z1259335892 [1,0,0,1,0,0|1,0,1]=4 236 B7R1.14 CC1(CCNC1)C Z1270207926 [1,0,0,1,0,0|1,0,1]=4 237 B7R1.14 CC1(CCOC1)N Z1895741238 [1,0,0,1,0,0|2,0,0]=4 238 B7R1.17 CC1(CCC1=O)C Z1416192672 [1,0,0,1,0,0|1,0,0]=3 239 B7R1.17 CC1(CCC1N)C Z1813195196 [1,0,0,1,0,0|1,0,1]=4 240 B7R1.17 CC1(CNC1=O)C Z425427928 [1,0,0,1,0,0|2,0,0]=4 241 B7R1.20 CC(C)CC1CO1 Z1020679872 [1,0,0,1,0,0|1,0,0]=3 242 B7R1.23 CC1(CC1C#N)C Z756145422 [1,0,0,1,0,0|1,0,1]=4 243 B7R1.23 CC1(CC1C=O)Br Z1513978436 [1,0,0,1,0,0|2,0,0]=4 244 B7R1.23 CC1(CC1C=O)C Z1511745659 [1,0,0,1,0,0|1,0,0]=3 245 B7R1.23 CC1(CC1CN)C Z1267773739 [1,0,0,1,0,0|1,0,1]=4 246 B7R1.23 CC1(CC1CO)C Z1198310193 [1,0,0,1,0,0|1,0,1]=4 247 B7R1.23 CC1(C[C@@H]1C=O)C Z1511802856 [1,0,0,1,0,0|1,0,0]=3 248 B7R1.23 CC1(OC1C=O)C Z1511743636 [1,0,0,1,0,0|2,0,0]=4 249 B7R1.23 CNC1CC1(C)C Z1895742049 [1,0,0,1,0,0|1,0,1]=4 250 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,1,0,0|2,0,0]=4 251 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,1,0,0|2,0,0]=4 252 B7R1.1 O=NN1CCOC1 Z1198157988 [1,0,0,1,0,0|2,0,0]=4 253 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|2,0,0]=4 254 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|2,0,0]=4 255 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|2,0,0]=4 256 B7R1.6 O=CCC1CCC1 Z1198184444 [1,0,0,1,0,0|2,0,0]=4 257 B7R1.9 CCC1CC1C=O Z1513989944 [1,0,0,1,0,0|2,0,0]=4 258 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [1,0,0,1,0,0|2,0,0]=4 259 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|1,0,1]=4 260 B9R1.13 CC(C)NC1CCOC1 Z4766862771 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.38 CC1CC(C(=O)N1)(C)C Z1203733674 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [0,1,0,1,0,0|1,0,1]=4 264 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.48 CC1CNCCS(=O)C1 Z1868316786 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.66 CC1CC(CCO1)(C)N Z2740753677 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.1 CC1CCC(=NO)CC1 Z49568435 [0,1,0,1,0,0|1,0,1]=4 269 B9R1.1 CC1CCC(CC1)C=O Z1250055138 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.1 CN1CCN(CC1)N=O Z1198157883 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O Z1511765971 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.2 CC1CC(CCO1)C=O Z1268606322 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.2 CC1CC(CCO1)CO Z1268632086 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.2 CC1CCCC(C1)C=O Z1217182161 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.2 CNC1CCOC(C1)C Z4657959047 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.16 CC1CC1CCCC=O Z3271342479 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.49 C[C@@H]1CCO[C@@H](CN1)C Z3025866678 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.89 CNC1CCCOCC1 Z5794487564 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.89 NCC1CCCOCC1 Z4438964521 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.118 CC1(CCOCC1)CO Z1255447679 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.118 CNC1(CCOCC1)C Z3813478225 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.202 CC1(CCNC1=O)CN Z2718904458 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.202 CC1(CCNC1=O)CO Z1868060587 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.6 CC(C)[C@@H]1COCCN1 Z3185478350 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.24 CC1(OCCC1C=O)C Z1511769442 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.24 CC1(SCCC1C=O)C Z1255356876 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.40 CC1(CCCCC1=O)C Z1238550479 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.40 CC1(CNCCS1=O)C Z1380033210 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.40 CC1(NCCOC1=O)C Z406682076 [0,1,0,1,0,0|1,0,0]=3 295 B9R1.40 CC1(SCCNC1=O)C Z1203732470 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.40 CC1OCCNC1(C)C Z4990294309 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.83 NCCOCCC1CC1 Z3629170058 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.83 O=CCCCCC1CC1 Z3002702510 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.83 O=CCCOCC1CC1 Z1080366652 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.35 CC(C)C1CNC(=O)C1 Z1089964728 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.35 CC(C)C1CNC(=O)N1 Z1251362774 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.106 CC1(C(=O)NCC1N)C Z3242507380 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.106 CC1(C(=O)NCC1O)C Z1889709990 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.133 CC1(CCC(C1)C=O)C Z1416223919 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.138 CC1(CCC(C1=O)Cl)C Z1350877025 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.19 CC(C)(N)C1CCOC1 Z5899487185 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.87 CC(C)(C)C1CC1C=O Z1511765666 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.150 CC1(CCNS1(=O)=O)C Z3053247790 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.161 CC(C)C1CC1C(=O)O Z975823938 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.166 CC1(CCC1C(=O)O)C Z1205494629 [0,1,0,1,0,0|2,0,0]=4 313 B9R2.47 O=CC1CC2CC2C1 Z1407035097 [0,0,0,2,0,0|2,0,0]=4 314 B9R2.59 O=CC1CC2CC1C2 Z4318223838 [0,0,0,2,0,0|2,0,0]=4 315 B9R2.61 O=CC12CCC(C1)C2 Z3626807045 [0,0,0,2,0,0|2,0,0]=4 316 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|2,0,0]=4 317 B9R2.5 O=C1OCCC12CO2 Z3038215235 [0,0,0,2,0,0|2,0,0]=4 318 B9R2.79 O=C[C@@H]1C[C@H]1C2CC2 Z3581747037 [0,0,0,2,0,0|2,0,0]=4