0 B7R0.7 C/C=C/C(=O)OCC Z2327209524 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.7 C=C=CC(=O)OCC Z1255488905 [0,0,0,0,0,0|1,0,2]=3 2 B7R0.7 CCCC(C)CCN Z2768767726 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.7 CCCC(O)CCO Z1198158209 [0,0,0,0,0,0|1,1,2]=4 4 B7R0.7 CCNC(=O)CCCl Z239813542 [0,0,0,0,0,0|2,0,0]=2 5 B7R0.7 CCNC(=O)CCN Z1449756826 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.7 CCNC(=O)CCO Z975909368 [0,0,0,0,0,0|1,1,0]=2 7 B7R0.7 CCNC(=O)CNC Z594038090 [0,0,0,0,0,0|3,0,0]=3 8 B7R0.7 CCOC(=N)CSC Z4498865780 [0,0,0,0,0,0|3,0,0]=3 9 B7R0.7 CCOC(=O)CC#N Z104473162 [0,0,0,0,0,0|1,0,1]=2 10 B7R0.7 CCOC(=O)CNC Z1262237263 [0,0,0,0,0,0|2,0,0]=2 11 B7R0.7 CCOC(=O)OCC Z104482516 [0,0,0,0,0,0|2,0,0]=2 12 B7R0.7 CCOC(C)OCC Z104476998 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.1 C#CC(=O)OCC Z104478880 [1,0,0,0,0,0|0,0,2]=3 14 B6R0.1 C#CCC(=O)OC Z1198160347 [1,0,0,0,0,0|1,0,1]=3 15 B6R0.1 CCC(=O)COC Z825742020 [1,0,0,0,0,0|2,0,0]=3 16 B6R0.1 CCC(N)CCO Z1258578227 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.1 CCC(O)CCN Z406342052 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.1 CCC(O)CCO Z1198157972 [1,0,0,0,0,0|0,1,2]=4 19 B6R0.1 CCCC(=O)CN Z1203579017 [1,0,0,0,0,0|2,0,0]=3 20 B6R0.1 CCCC(=O)NO Z59181937 [1,0,0,0,0,0|2,1,0]=4 21 B6R0.1 CCCC(N)CC Z1642389626 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.1 CCNC(=N)NC Z1357224692 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.1 CCNC(=O)CN Z54747476 [1,0,0,0,0,0|2,0,0]=3 24 B6R0.1 CCNC(=O)CO Z431952024 [1,0,0,0,0,0|1,1,0]=3 25 B6R0.1 CCNC(C)CC Z2509351098 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.1 CCOC(=N)CC Z3033961910 [1,0,0,0,0,0|1,0,0]=2 27 B6R0.1 CCOC(=O)CN Z594038186 [1,0,0,0,0,0|1,0,0]=2 28 B6R0.1 CCOC(=O)CO Z385458066 [1,0,0,0,0,0|0,1,0]=2 29 B6R0.1 CCOC(=O)NN Z104478458 [1,0,0,0,0,0|2,0,0]=3 30 B6R0.1 CCOC(C)CN Z844631802 [1,0,0,0,0,0|2,0,1]=4 31 B6R0.1 CCS(=O)CCN Z1266854910 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 CNC(=O)CC#N Z56945997 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.1 CNC(=O)CCCl Z239813512 [1,0,0,0,0,0|2,0,0]=3 34 B6R0.1 CNC(=O)CCN Z425449754 [1,0,0,0,0,0|2,0,0]=3 35 B6R0.1 CNC(=O)CCO Z975909370 [1,0,0,0,0,0|1,1,0]=3 36 B6R0.1 CNCC(=O)NC Z57981096 [1,0,0,0,0,0|3,0,0]=4 37 B6R0.1 CNCC(=O)OC Z89264972 [1,0,0,0,0,0|2,0,0]=3 38 B6R0.1 COC(C)CCN Z802903932 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.1 CONC(=O)CCl Z234816732 [1,0,0,0,0,0|3,0,0]=4 40 B6R0.6 CCC#CCCN Z1203585246 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.6 CCCCCCO Z104473568 [1,0,0,0,0,0|1,1,1]=4 42 B6R0.6 CCCOCCN Z4449042604 [1,0,0,0,0,0|3,0,0]=4 43 B6R0.6 CCNCCCF Z1203824341 [1,0,0,0,0,0|2,0,1]=4 44 B6R0.6 CCNCCCO Z138139914 [1,0,0,0,0,0|1,1,1]=4 45 B6R0.6 CCOCCCO Z1080358490 [1,0,0,0,0,0|0,1,1]=3 46 B8R0.1 C#CCNC(=O)CCN Z4191042568 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.1 C=CCCC(=O)CCC Z406377524 [0,1,0,0,0,0|2,0,0]=3 48 B8R0.1 C=CCOC(=O)CC#N Z56896765 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.1 CCCNC(=O)CC#N Z169918900 [0,1,0,0,0,0|2,0,1]=4 50 B8R0.1 CCCNC(=O)CNC Z56979317 [0,1,0,0,0,0|3,0,0]=4 51 B8R0.1 CCCOC(=O)OCC Z2375631176 [0,1,0,0,0,0|1,0,0]=2 52 B8R0.1 CCNC(=O)NCCN Z2205958434 [0,1,0,0,0,0|2,0,0]=3 53 B8R0.1 CCNC(=O)NCCO Z425745170 [0,1,0,0,0,0|1,1,0]=3 54 B8R0.1 CCNCC(=O)NCC Z55849446 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.1 CCOC(=O)CCNC Z2240989662 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.1 CCOC(=O)NCCN Z1263820337 [0,1,0,0,0,0|1,0,0]=2 57 B8R0.1 CCOC(=O)NCCO Z31725113 [0,1,0,0,0,0|0,1,0]=2 58 B8R0.1 COCCC(=O)COC Z992968820 [0,1,0,0,0,0|2,1,0]=4 59 B8R0.1 COCCS(=O)CCN Z4500883985 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.1 N#CCC(=O)NCCO Z57906863 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.3 CCC(C)C(=O)CC#N Z360167402 [0,1,0,0,0,0|2,0,1]=4 62 B8R0.3 CCOC(=O)C(C)C#N Z878438822 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.3 CCOC(=O)C(C)CN Z1350606453 [0,1,0,0,0,0|1,0,0]=2 64 B8R0.3 CCOC(=O)C(C)CO Z852748566 [0,1,0,0,0,0|0,1,0]=2 65 B8R0.3 CCOC(=O)C(C)NC Z2255112515 [0,1,0,0,0,0|2,0,0]=3 66 B8R0.5 CC(C)CC(=O)CC#N Z360167452 [0,1,0,0,0,0|2,0,1]=4 67 B8R0.5 CC(C)NC(=O)CC#N Z56838570 [0,1,0,0,0,0|2,0,1]=4 68 B8R0.5 CC(C)NC(=O)CCCl Z239813378 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.5 CC(C)NC(=O)CCN Z426041532 [0,1,0,0,0,0|2,0,0]=3 70 B8R0.5 CC(C)OC(=O)CCN Z147652234 [0,1,0,0,0,0|1,0,0]=2 71 B8R0.5 CCNC(=O)CC(C)O Z1203750199 [0,1,0,0,0,0|1,1,0]=3 72 B8R0.5 CCOC(=N)CC(C)C Z1374778812 [0,1,0,0,0,0|2,0,0]=3 73 B8R0.5 CCOC(=O)CC(=O)C Z104473158 [0,1,0,0,0,0|0,1,1]=3 74 B8R0.5 CCOC(=O)CC(=S)N Z94602417 [0,1,0,0,0,0|0,0,2]=3 75 B8R0.5 CCOC(=O)C[N+](=O)[O-] Z431554230 [0,1,0,0,0,0|1,1,0]=3 76 B8R0.5 CNCC(=O)NC(C)C Z46191420 [0,1,0,0,0,0|3,0,0]=4 77 B8R0.5 COCC(=O)OC(C)C Z53836826 [0,1,0,0,0,0|2,0,0]=3 78 B8R0.30 CCCS(=O)(=O)CCO Z1255424700 [0,1,0,0,0,0|2,1,0]=4 79 B8R0.30 CCNS(=O)(=O)CCN Z1266823111 [0,1,0,0,0,0|3,0,0]=4 80 B8R1.4 CC1=CC(=O)CCC1 Z1042078386 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,0,0,1,0,0|2,0,0]=3 82 B8R1.4 CC1CC(=O)CCO1 Z1192341264 [0,0,0,1,0,0|1,1,0]=3 83 B8R1.4 CC1CC=CC(=O)O1 Z1509022444 [0,0,0,1,0,0|1,0,2]=4 84 B8R1.4 CC1CCCC(=O)C1 Z56899044 [0,0,0,1,0,0|2,0,0]=3 85 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,0,0,1,0,0|2,0,0]=3 86 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,0,0,1,0,0|2,0,0]=3 87 B8R1.4 CC1CNCC(=O)N1 Z1198172719 [0,0,0,1,0,0|3,0,0]=4 88 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,0,0,1,0,0|3,0,0]=4 89 B8R1.4 CN1CC(CCO1)O Z5948414894 [0,0,0,1,0,0|2,1,0]=4 90 B8R1.4 CN1CCCC(=O)C1 Z3034966673 [0,0,0,1,0,0|3,0,0]=4 91 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,0,0,1,0,0|1,1,0]=3 93 B8R1.4 O=C1CCSC(=O)N1 Z56871611 [0,0,0,1,0,0|2,0,1]=4 94 B8R1.6 CCOC1CC(C1)O Z1273088178 [0,0,0,1,0,0|1,1,1]=4 95 B8R1.8 CC/C=C\1/CCNC1 Z1353044913 [0,0,0,1,0,0|3,0,0]=4 96 B8R1.8 NCCC1CCCO1 Z1245635808 [0,0,0,1,0,0|2,0,1]=4 97 B8R1.8 OCCC1CCCO1 Z1183459210 [0,0,0,1,0,0|1,1,1]=4 98 B8R1.11 CCC1CCCC1=O Z813018310 [0,0,0,1,0,0|2,0,0]=3 99 B8R1.11 CCC1CCNC1=O Z1203732458 [0,0,0,1,0,0|2,0,0]=3 100 B8R1.11 CCN1CCCC1=O Z1255438420 [0,0,0,1,0,0|2,0,0]=3 101 B8R1.11 CCN1CCNC1=O Z1179328150 [0,0,0,1,0,0|3,0,0]=4 102 B8R1.11 CCN1N=CCC1=O Z3477438900 [0,0,0,1,0,0|2,0,1]=4 103 B8R1.11 N#CC1CCCC1=O Z951172672 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.11 O=C1CCCN1CO Z56755633 [0,0,0,1,0,0|2,1,0]=4 105 B8R1.11 O=C1NCCC1CO Z1203746842 [0,0,0,1,0,0|1,1,0]=3 106 B8R1.18 CC1CC(=O)NC1C Z1203733092 [0,0,0,1,0,0|2,0,0]=3 107 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.22 CC1CCNCCO1 Z2855997854 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.22 CC1CCSCCN1 Z1839475384 [0,0,0,1,0,0|2,0,1]=4 110 B8R1.22 NC1CCCSCC1 Z3102941972 [0,0,0,1,0,0|2,0,1]=4 111 B8R1.22 O=C1CCCCCC1 Z104473100 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.22 O=C1CCNCCN1 Z119989554 [0,0,0,1,0,0|2,0,0]=3 113 B8R1.22 O=C1CCOCCN1 Z821098578 [0,0,0,1,0,0|1,1,0]=3 114 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,0,0,1,0,0|1,0,0]=2 115 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,0,0,1,0,0|3,0,0]=4 116 B8R1.22 O=C1COCCCN1 Z1203733065 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.37 CCOC(=O)[C@@H]1CO1 Z1255450225 [0,0,0,1,0,0|0,1,0]=2 118 B8R1.37 CCOC(=O)[C@H]1CO1 Z1255372614 [0,0,0,1,0,0|0,1,0]=2 119 B8R1.37 COCC(=O)C1CC1 Z1172086177 [0,0,0,1,0,0|3,0,0]=4 120 B5R0.1 C#CCC(=O)O Z295890060 [2,0,0,0,0,0|1,0,1]=4 121 B5R0.1 C=C(C)CCN Z1203582475 [2,0,0,0,0,0|2,0,0]=4 122 B5R0.1 CC(=O)CCO Z906206900 [2,0,0,0,0,0|0,1,0]=3 123 B5R0.1 CCCC(=O)N Z33546461 [2,0,0,0,0,0|2,0,0]=4 124 B5R0.1 CCCC(=O)O Z104495380 [2,0,0,0,0,0|1,0,0]=3 125 B5R0.1 CCOC(=N)N Z1741973543 [2,0,0,0,0,0|2,0,0]=4 126 B5R0.1 CCOC(=O)N Z33546369 [2,0,0,0,0,0|1,0,0]=3 127 B5R0.1 CN(C)CCS Z362025514 [2,0,0,0,0,0|2,0,0]=4 128 B5R0.1 CNCC(=O)O Z104480276 [2,0,0,0,0,0|2,0,0]=4 129 B5R0.1 COCC(=O)O Z104477404 [2,0,0,0,0,0|2,0,0]=4 130 B5R0.1 CS(=O)CCN Z802568576 [2,0,0,0,0,0|2,0,0]=4 131 B5R0.1 N#CCC(=O)O Z104476112 [2,0,0,0,0,0|1,0,1]=4 132 B5R0.1 NC(=O)CCO Z431951940 [2,0,0,0,0,0|1,1,0]=4 133 B5R0.1 NCCC(=O)N Z415728050 [2,0,0,0,0,0|2,0,0]=4 134 B5R0.1 NCCC(=O)O Z57127544 [2,0,0,0,0,0|1,0,0]=3 135 B5R0.1 NOCC(=O)O Z90662171 [2,0,0,0,0,0|2,0,0]=4 136 B5R0.1 O=C(O)CCCl Z203045320 [2,0,0,0,0,0|1,0,0]=3 137 B5R0.1 O=C(O)CCS Z104474322 [2,0,0,0,0,0|0,0,0]=2 138 B5R0.1 O=C(O)CNO Z1205493750 [2,0,0,0,0,0|1,1,0]=4 139 B5R0.2 C/C=C/CCN Z1268152372 [2,0,0,0,0,0|1,0,1]=4 140 B5R0.2 C/C=C/OCC Z281777810 [2,0,0,0,0,0|0,0,1]=3 141 B5R0.2 CCCCCN Z104472246 [2,0,0,0,0,0|1,0,1]=4 142 B5R0.2 CCCNCC Z138446288 [2,0,0,0,0,0|1,0,1]=4 143 B5R0.2 CCNCCF Z1198305484 [2,0,0,0,0,0|2,0,0]=4 144 B5R0.2 CCNCCO Z1258992395 [2,0,0,0,0,0|1,1,0]=4 145 B5R0.2 CCNOCC Z223690220 [2,0,0,0,0,0|1,0,0]=3 146 B5R0.2 CCOCC#N Z295205412 [2,0,0,0,0,0|1,0,1]=4 147 B5R0.2 CCOCCN Z271005962 [2,0,0,0,0,0|1,0,0]=3 148 B5R0.2 CCOCCO Z104473122 [2,0,0,0,0,0|0,1,0]=3 149 B5R0.2 CCSCCN Z3061111063 [2,0,0,0,0,0|1,1,0]=4 150 B5R0.2 COCCCO Z431517702 [2,0,0,0,0,0|0,1,1]=4 151 B5R0.3 C=C(CC)CN Z2238934536 [2,0,0,0,0,0|2,0,0]=4 152 B5R0.3 CCC(=O)CC Z104476878 [2,0,0,0,0,0|0,0,0]=2 153 B5R0.3 CCC(=O)CN Z1203579016 [2,0,0,0,0,0|1,0,0]=3 154 B5R0.3 CCC(=O)NN Z56886418 [2,0,0,0,0,0|2,0,0]=4 155 B5R0.3 CNC(=O)CCl Z56891219 [2,0,0,0,0,0|2,0,0]=4 156 B5R0.3 CNC(=O)CN Z57981102 [2,0,0,0,0,0|2,0,0]=4 157 B5R0.3 CNC(=O)CO Z431952700 [2,0,0,0,0,0|1,1,0]=4 158 B5R0.3 CNC(=O)CS Z1203730878 [2,0,0,0,0,0|1,0,0]=3 159 B5R0.3 COC(=O)CN Z57042020 [2,0,0,0,0,0|1,0,0]=3 160 B5R0.3 NCC(=O)CN Z1198147360 [2,0,0,0,0,0|2,0,0]=4 161 B5R0.3 O=C(CO)CO Z1255442144 [2,0,0,0,0,0|1,1,0]=4 162 B7R0.2 CC(C)NC(=O)CN Z316170536 [1,1,0,0,0,0|2,0,0]=4 163 B7R0.2 CC(C)NC(=O)CO Z431952044 [1,1,0,0,0,0|1,1,0]=4 164 B7R0.2 CC(C)OC(=O)CN Z1245635749 [1,1,0,0,0,0|1,0,0]=3 165 B7R0.2 CCC(=O)CC(=O)C Z1013699870 [1,1,0,0,0,0|0,1,1]=4 166 B7R0.2 CNC(=O)CC(C)N Z1457935170 [1,1,0,0,0,0|2,0,0]=4 167 B7R0.2 COC(=O)CC(C)N Z169856728 [1,1,0,0,0,0|1,0,0]=3 168 B7R0.3 C#CCNC(=O)CC Z220957516 [1,1,0,0,0,0|1,0,1]=4 169 B7R0.3 C#CCOC(=O)CN Z3401786508 [1,1,0,0,0,0|1,0,1]=4 170 B7R0.3 C=CC(=O)NOCC Z1251326848 [1,1,0,0,0,0|0,0,2]=4 171 B7R0.3 CC/C=C/C(=O)NC Z404206580 [1,1,0,0,0,0|2,0,0]=4 172 B7R0.3 CCC(=O)NCCN Z1455674775 [1,1,0,0,0,0|1,0,0]=3 173 B7R0.3 CCCCC(=O)CC Z406378226 [1,1,0,0,0,0|1,0,0]=3 174 B7R0.3 CCCNC(=O)CC Z33030426 [1,1,0,0,0,0|1,0,0]=3 175 B7R0.3 CCNCC(=O)NC Z55849445 [1,1,0,0,0,0|2,0,0]=4 176 B7R0.3 CCNCC(=O)OC Z138464962 [1,1,0,0,0,0|1,0,0]=3 177 B7R0.3 CNC(=O)CCCN Z451350656 [1,1,0,0,0,0|2,0,0]=4 178 B7R0.3 CNC(=O)NCCO Z177090556 [1,1,0,0,0,0|1,1,0]=4 179 B7R0.3 CNC(=O)OCCO Z1198150357 [1,1,0,0,0,0|1,0,0]=3 180 B7R0.3 CNCCC(=O)NC Z852427258 [1,1,0,0,0,0|2,0,0]=4 181 B7R0.3 CNCCC(=O)OC Z140562916 [1,1,0,0,0,0|1,0,0]=3 182 B7R0.3 COC(=O)CCC#N Z1179894109 [1,1,0,0,0,0|1,0,0]=3 183 B7R0.3 COC(=O)NCCN Z2237317343 [1,1,0,0,0,0|1,0,0]=3 184 B7R0.3 NCC(=O)NCCO Z401366912 [1,1,0,0,0,0|1,1,0]=4 185 B7R0.3 O=C(CO)NCCO Z1203732626 [1,1,0,0,0,0|1,1,0]=4 186 B7R0.5 C=C(C)C(=O)OCC Z852747724 [1,1,0,0,0,0|0,0,1]=3 187 B7R0.5 CC(C)C(=O)CC#N Z319444036 [1,1,0,0,0,0|1,0,1]=4 188 B7R0.5 CCNC(=O)C(C)Cl Z147651950 [1,1,0,0,0,0|1,0,0]=3 189 B7R0.5 CCNC(=O)C(C)N Z89265773 [1,1,0,0,0,0|1,0,0]=3 190 B7R0.5 CCOC(=N)C(C)C Z1623864182 [1,1,0,0,0,0|1,0,0]=3 191 B7R0.5 CCOC(=O)C(=O)C Z104472090 [1,1,0,0,0,0|0,0,1]=3 192 B7R0.5 CCOC(=O)C(=O)N Z104475764 [1,1,0,0,0,0|0,1,1]=4 193 B7R0.5 CCOC(=O)C(F)F Z361436550 [1,1,0,0,0,0|1,0,0]=3 194 B7R0.5 CN(C)C(=O)CCN Z802671460 [1,1,0,0,0,0|2,0,0]=4 195 B7R0.5 CN(C)C(=O)CCO Z635883438 [1,1,0,0,0,0|1,1,0]=4 196 B7R0.5 COCC(=O)C(C)C Z825742022 [1,1,0,0,0,0|2,0,0]=4 197 B7R0.10 C=C(CBr)C(=O)OC Z1255364717 [1,1,0,0,0,0|1,0,1]=4 198 B7R0.10 CCC(=O)C(=O)CC Z104472286 [1,1,0,0,0,0|1,0,0]=3 199 B7R0.10 CCC(=O)C(C)C#N Z385381340 [1,1,0,0,0,0|1,0,1]=4 200 B7R0.10 CCC(C)C(=N)OC Z975823972 [1,1,0,0,0,0|2,0,0]=4 201 B7R0.10 CCC(C)C(=O)CN Z4526173679 [1,1,0,0,0,0|2,0,0]=4 202 B7R0.10 CCC(N)C(=O)NC Z1449756338 [1,1,0,0,0,0|2,0,0]=4 203 B7R0.10 CCN(C)C(=O)CN Z409025350 [1,1,0,0,0,0|2,0,0]=4 204 B7R0.10 CCN(C)C(=O)NC Z1042069854 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.10 CNC(=O)C(C)CN Z2079695013 [1,1,0,0,0,0|2,0,0]=4 206 B7R0.10 CNC(=O)C(N)CO Z1203584884 [1,1,0,0,0,0|1,1,0]=4 207 B7R0.10 CNC(=O)C(O)CN Z2418537068 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.10 COC(=O)C(C)CN Z1357902409 [1,1,0,0,0,0|1,0,0]=3 209 B7R0.10 COC(=O)C(C)SC Z821313006 [1,1,0,0,0,0|2,0,0]=4 210 B7R0.10 COC(=O)C(N)CF Z1255489945 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.10 COC(=O)C(N)CO Z104479480 [1,1,0,0,0,0|0,1,0]=3 212 B7R0.10 COC(=O)C(N)CS Z56917374 [1,1,0,0,0,0|0,0,0]=2 213 B7R0.10 COC(=O)[C@@H](F)CN Z2830704461 [1,1,0,0,0,0|1,0,0]=3 214 B7R0.10 COC(=O)[C@@H](N)CS Z1741970632 [1,1,0,0,0,0|0,0,0]=2 215 B7R0.10 COC(=O)[C@@H](O)CN Z1540004832 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.11 CCS(=O)(=O)CCN Z424776794 [1,1,0,0,0,0|2,0,0]=4 217 B7R0.1 CCCCOCCN Z409191398 [1,1,0,0,0,0|1,0,1]=4 218 B7R0.1 CCCOCCCO Z1080358966 [1,1,0,0,0,0|0,1,1]=4 219 B7R0.1 CCNCCOCC Z138138014 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.1 CCOCCCC#N Z295205414 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.1 CCOCCCCO Z993012560 [1,1,0,0,0,0|0,1,1]=4 222 B7R0.1 NCCOCCCO Z2044949087 [1,1,0,0,0,0|0,1,1]=4 223 B7R0.1 OCCCOCCO Z1373668758 [1,1,0,0,0,0|0,1,1]=4 224 B7R0.4 CC(C)OCCCN Z2677507870 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.4 CC(C)OCCCO Z1080358780 [1,1,0,0,0,0|0,1,1]=4 226 B9R0.4 CC(=O)CC(=O)OCCO Z1255385954 [0,2,0,0,0,0|0,1,1]=4 227 B9R0.4 CC(C)NC(=O)NCCN Z3024925309 [0,2,0,0,0,0|2,0,0]=4 228 B9R0.4 CCNCC(=O)NC(C)C Z46194033 [0,2,0,0,0,0|2,0,0]=4 229 B9R0.5 C=CCOCC(=O)OCC Z362807784 [0,2,0,0,0,0|1,0,0]=3 230 B9R0.5 CCCCNC(=O)CCC Z31763357 [0,2,0,0,0,0|2,0,0]=4 231 B9R0.5 CCCNCC(=O)OCC Z235653500 [0,2,0,0,0,0|1,0,0]=3 232 B9R0.5 CCNC(=O)NCCCO Z425745002 [0,2,0,0,0,0|1,1,0]=4 233 B9R0.5 CCOC(=O)CCCCN Z1741976369 [0,2,0,0,0,0|1,0,0]=3 234 B9R0.5 CCOC(=O)COCCN Z2235644494 [0,2,0,0,0,0|1,0,0]=3 235 B9R0.5 COCCNC(=O)CCN Z241054100 [0,2,0,0,0,0|2,0,0]=4 236 B9R0.5 COCCOC(=O)CC#N Z104479724 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.8 CCN(C)C(=O)OCCN Z3899878398 [0,2,0,0,0,0|2,0,0]=4 238 B9R0.18 C#CCNC(=O)NOCC Z433997790 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.18 CCCNC(=O)NCCC Z44609161 [0,2,0,0,0,0|2,0,0]=4 240 B9R0.18 CCOCC(=O)NCCN Z1455675677 [0,2,0,0,0,0|1,0,0]=3 241 B9R0.18 CCOCC(=O)NOCC Z281502126 [0,2,0,0,0,0|1,0,0]=3 242 B9R0.18 O=C(CCCO)NCCO Z1203731574 [0,2,0,0,0,0|1,1,0]=4 243 B9R0.18 O=C(NCCCl)NCCCl Z1198149941 [0,2,0,0,0,0|2,0,0]=4 244 B9R0.34 CCOC(=O)CC(=O)NN Z56899139 [0,2,0,0,0,0|0,1,1]=4 245 B9R0.34 CCOC(=O)CC(C)CN Z1569708806 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.34 CCOC(=O)CN(C)C=O Z1258522254 [0,2,0,0,0,0|0,1,1]=4 247 B9R0.34 CC[C@@H](C)NC(=O)CCN Z2939404203 [0,2,0,0,0,0|2,0,0]=4 248 B9R0.35 CCOC(=O)C(=O)OCC Z104473164 [0,2,0,0,0,0|1,0,1]=4 249 B9R0.35 CCOC(=O)N(C)CCO Z371625298 [0,2,0,0,0,0|0,1,0]=3 250 B9R0.48 CC(C)CNC(=O)CCN Z1449763104 [0,2,0,0,0,0|2,0,0]=4 251 B9R0.48 CCNC(=O)CCC(=O)O Z90312637 [0,2,0,0,0,0|1,1,0]=4 252 B9R0.48 CCOC(=O)CCC(=O)O Z56896764 [0,2,0,0,0,0|0,1,0]=3 253 B9R0.48 CCOC(=O)CCN(C)C Z104477518 [0,2,0,0,0,0|1,0,0]=3 254 B9R0.48 CCOC(=O)CNC(=O)C Z54529208 [0,2,0,0,0,0|0,1,1]=4 255 B9R0.48 CCOC(=O)CNC(C)C Z1741967075 [0,2,0,0,0,0|1,0,0]=3 256 B9R0.48 CCOC(=O)CSC(F)F Z56981576 [0,2,0,0,0,0|1,0,0]=3 257 B9R0.48 CCOC(=O)NCC(=O)O Z64434253 [0,2,0,0,0,0|0,1,1]=4 258 B9R0.66 CCOP(=O)(O)CCCN Z1713622085 [0,2,0,0,0,0|2,0,0]=4 259 B9R0.6 CCOC(=O)C(F)C(=O)C Z254254500 [0,2,0,0,0,0|0,1,1]=4 260 B9R0.6 CCOC(=O)C(N)C(C)C Z1511495073 [0,2,0,0,0,0|1,0,0]=3 261 B9R0.19 CCNC(=O)C(C)(C)CN Z878097870 [0,2,0,0,0,0|2,0,0]=4 262 B9R0.19 CCOC(=O)C(C)(C)NC Z477327012 [0,2,0,0,0,0|2,0,0]=4 263 B9R0.19 CCOC(=O)C(C)(O)CC Z965048274 [0,2,0,0,0,0|1,0,0]=3 264 B9R0.19 CCOC(=O)C(C)(O)CN Z1953525646 [0,2,0,0,0,0|1,0,0]=3 265 B9R0.23 CC(C)OC(=O)C(C)CN Z1267885907 [0,2,0,0,0,0|1,0,0]=3 266 B9R0.23 CCC(N)C(=O)OC(C)C Z3318668164 [0,2,0,0,0,0|1,0,0]=3 267 B9R0.23 CNC(C)C(=O)OC(C)C Z993898430 [0,2,0,0,0,0|2,0,0]=4 268 B9R0.37 CCN(CC)C(=O)CCN Z1449750808 [0,2,0,0,0,0|2,0,0]=4 269 B9R0.37 CCOC(=O)C(C#N)CC Z878447228 [0,2,0,0,0,0|1,0,0]=3 270 B9R0.37 CCOC(=O)C(CC)CC Z425641124 [0,2,0,0,0,0|1,0,0]=3 271 B9R0.44 CC(C)(C)NC(=O)CCN Z1263602360 [0,2,0,0,0,0|2,0,0]=4 272 B9R0.44 CC(C)(C)OC(=O)CC#N Z237573790 [0,2,0,0,0,0|1,0,1]=4 273 B9R0.44 CCNC(=O)OC(C)(C)C Z1157675253 [0,2,0,0,0,0|2,0,0]=4 274 B9R0.44 CCOC(=O)CC(C)(C)O Z982131236 [0,2,0,0,0,0|0,1,0]=3 275 B9R0.53 CC(C)OC(=O)CC(=S)N Z330914786 [0,2,0,0,0,0|0,0,2]=4 276 B9R0.53 CC(N)CC(=O)NC(C)C Z594220276 [0,2,0,0,0,0|2,0,0]=4 277 B7R1.1 COC1=NCCC1 Z147641734 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.2 CC1CC(=O)CN1 Z1509349081 [1,0,0,1,0,0|2,0,0]=4 279 B7R1.2 CC1CCC(=O)N1 Z1250132456 [1,0,0,1,0,0|1,0,0]=3 280 B7R1.2 CC1CCC(=O)O1 Z963595138 [1,0,0,1,0,0|0,0,0]=2 281 B7R1.2 CC1CN=C(O1)N Z1203579428 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.2 CC1CNC(=O)C1 Z959319678 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.2 CC1CNC(=O)N1 Z1203730895 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.2 CC1CNC(=O)O1 Z1198149952 [1,0,0,1,0,0|1,0,0]=3 285 B7R1.2 CN1CCC(=O)C1 Z415646350 [1,0,0,1,0,0|2,0,0]=4 286 B7R1.2 CN1CCC(=O)N1 Z1618125551 [1,0,0,1,0,0|2,0,0]=4 287 B7R1.2 NC1CCS(=O)C1 Z1267860904 [1,0,0,1,0,0|2,0,0]=4 288 B7R1.2 NC1CNC(=O)C1 Z1198329759 [1,0,0,1,0,0|2,0,0]=4 289 B7R1.2 O=C1CC(CN1)O Z1198157723 [1,0,0,1,0,0|1,1,0]=4 290 B7R1.2 O=C1CCC(=O)O1 Z57127506 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.3 C=C1CCNCC1 Z1124146875 [1,0,0,1,0,0|2,0,0]=4 292 B7R1.3 NC1=NCCCC1 Z1723418848 [1,0,0,1,0,0|2,0,0]=4 293 B7R1.3 NC1CCSCC1 Z992716928 [1,0,0,1,0,0|1,0,1]=4 294 B7R1.3 O=C1C=CCCC1 Z295197140 [1,0,0,1,0,0|1,0,1]=4 295 B7R1.3 O=C1C=CCCO1 Z1255402681 [1,0,0,1,0,0|0,0,2]=4 296 B7R1.3 O=C1CCCCC1 Z104474256 [1,0,0,1,0,0|1,0,0]=3 297 B7R1.3 O=C1CCCCN1 Z168817684 [1,0,0,1,0,0|1,0,0]=3 298 B7R1.3 O=C1CCCCO1 Z432085120 [1,0,0,1,0,0|0,0,0]=2 299 B7R1.3 O=C1CCCCS1 Z1726147018 [1,0,0,1,0,0|0,1,0]=3 300 B7R1.3 O=C1CCCNC1 Z3063726909 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 O=C1CCCNN1 Z1416174508 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 O=C1CCCSC1 Z979714552 [1,0,0,1,0,0|1,0,0]=3 303 B7R1.3 O=C1CCNCC1 Z1741959513 [1,0,0,1,0,0|1,0,0]=3 304 B7R1.3 O=C1CNCCN1 Z56968535 [1,0,0,1,0,0|2,0,0]=4 305 B7R1.3 O=C1CSCCN1 Z337709368 [1,0,0,1,0,0|1,0,0]=3 306 B7R1.3 O=C1CSCSC1 Z1251333166 [1,0,0,1,0,0|2,0,0]=4 307 B7R1.3 O=C1NCCCN1 Z1203730774 [1,0,0,1,0,0|2,0,0]=4 308 B7R1.3 O=C1NCCCO1 Z1198312172 [1,0,0,1,0,0|1,0,0]=3 309 B7R1.3 O=C1NNCCO1 Z2732442016 [1,0,0,1,0,0|2,0,0]=4 310 B7R1.3 O=S1CCNCC1 Z1263714072 [1,0,0,1,0,0|2,0,0]=4 311 B7R1.4 C=C1CCOC1=O Z1255438435 [1,0,0,1,0,0|0,0,2]=4 312 B7R1.4 CC1CCCC1=O Z813018382 [1,0,0,1,0,0|1,0,0]=3 313 B7R1.4 CC1CCNC1=O Z1198147219 [1,0,0,1,0,0|1,0,0]=3 314 B7R1.4 CC1NCCC1=O Z2733314209 [1,0,0,1,0,0|1,0,0]=3 315 B7R1.4 CC1SCCC1N Z2408712737 [1,0,0,1,0,0|1,0,1]=4 316 B7R1.4 CN1CCCC1=O Z104478382 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.4 CN1CCNC1=O Z336079928 [1,0,0,1,0,0|2,0,0]=4 318 B7R1.4 NC1CCOC1=O Z56921763 [1,0,0,1,0,0|1,0,0]=3 319 B7R1.4 NC1CCSC1=O Z56922158 [1,0,0,1,0,0|1,1,0]=4 320 B7R1.4 NN1CCOC1=O Z1198147716 [1,0,0,1,0,0|2,0,0]=4 321 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [1,0,0,1,0,0|1,1,0]=4 322 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [1,0,0,1,0,0|1,1,0]=4 323 B7R1.4 O=C1CCCC1Cl Z104492966 [1,0,0,1,0,0|2,0,0]=4 324 B7R1.4 O=C1NCCC1F Z1203745843 [1,0,0,1,0,0|2,0,0]=4 325 B7R1.22 CNC(=O)C1CC1 Z32016401 [1,0,0,1,0,0|2,0,0]=4 326 B7R1.22 O=C(CCl)C1CC1 Z1205657701 [1,0,0,1,0,0|2,0,0]=4 327 B7R1.22 O=C(CO)C1CC1 Z1172087188 [1,0,0,1,0,0|1,1,0]=4 328 B7R1.7 CCOCC1CO1 Z271128258 [1,0,0,1,0,0|0,1,1]=4 329 B7R1.24 C1=CCCNCC1 Z1255363448 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.24 C1CCNOCC1 Z1824482753 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.24 C1CNCCOC1 Z359510198 [1,0,0,1,0,0|1,0,1]=4 332 B7R1.24 C1CNCCSC1 Z1954803255 [1,0,0,1,0,0|1,0,1]=4 333 B9R1.2 CCC1CC(=O)CCO1 Z1192338795 [0,1,0,1,0,0|1,1,0]=4 334 B9R1.2 CCC1CCCC(=O)C1 Z1201627363 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.2 CCC1CCNC(=O)C1 Z1203732244 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.2 COC1CCCC(=O)N1 Z1203731823 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.2 N#CC1CCCC(=O)C1 Z907709920 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.2 O=C1CC(CCN1)CO Z1255502253 [0,1,0,1,0,0|1,1,0]=4 339 B9R1.2 O=C1CCCC(N1)CO Z1198313433 [0,1,0,1,0,0|1,1,0]=4 340 B9R1.15 CCC1CCCNC1=O Z1203731521 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.15 CCC1NCCNC1=O Z57663834 [0,1,0,1,0,0|2,0,0]=4 342 B9R1.15 CCN1CCCNC1=O Z1203733831 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.15 CCN1CCNCC1=O Z975809904 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.15 NCC1CCCNC1=O Z2289798362 [0,1,0,1,0,0|2,0,0]=4 345 B9R1.15 O=C1NCCCC1CO Z1203732010 [0,1,0,1,0,0|1,1,0]=4 346 B9R1.15 O=C1NCCOC1CO Z2239006921 [0,1,0,1,0,0|1,1,0]=4 347 B9R1.22 CCN1CC(CC1=O)N Z2235810233 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.33 C#CCC1CCNC1=O Z1685768902 [0,1,0,1,0,0|2,0,0]=4 349 B9R1.33 C#CCN1CCOC1=O Z804943488 [0,1,0,1,0,0|1,0,1]=4 350 B9R1.33 CCNC1CCNC1=O Z1998636522 [0,1,0,1,0,0|2,0,0]=4 351 B9R1.33 NCCN1CCNC1=O Z285171810 [0,1,0,1,0,0|2,0,0]=4 352 B9R1.33 O=C1CCCC1CCF Z1416228589 [0,1,0,1,0,0|2,0,0]=4 353 B9R1.33 O=C1CCCN1CCO Z104478410 [0,1,0,1,0,0|1,1,0]=4 354 B9R1.33 O=C1NCCC1CCO Z1203745921 [0,1,0,1,0,0|1,1,0]=4 355 B9R1.33 O=C1NCCN1CCO Z111875094 [0,1,0,1,0,0|1,1,0]=4 356 B9R1.33 O=C1OCCN1CCO Z425795034 [0,1,0,1,0,0|0,1,0]=3 357 B9R1.33 O=CCC1CCOC1=O Z1511761046 [0,1,0,1,0,0|0,1,0]=3 358 B9R1.48 CC1CC(=O)NCCN1 Z1165350935 [0,1,0,1,0,0|2,0,0]=4 359 B9R1.48 CC1COCCC(=O)N1 Z1203833663 [0,1,0,1,0,0|1,1,0]=4 360 B9R1.49 O=C1CCCC(CN1)O Z1255401193 [0,1,0,1,0,0|1,1,0]=4 361 B9R1.50 O=C1CCCCCCC1 Z104474712 [0,1,0,1,0,0|2,0,0]=4 362 B9R1.50 O=C1CCCCNCC1 Z5186715583 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.50 O=C1CCNCCCN1 Z1262578602 [0,1,0,1,0,0|2,0,0]=4 364 B9R1.69 CC1CC(=O)CCN1C Z825754016 [0,1,0,1,0,0|2,0,0]=4 365 B9R1.69 CC1CCC(C(=O)C1)C Z1238548176 [0,1,0,1,0,0|2,0,0]=4 366 B9R1.69 CC1CCC(C(=O)N1)C Z1203817414 [0,1,0,1,0,0|2,0,0]=4 367 B9R1.69 CC1NC(=O)CCC1N Z1509112048 [0,1,0,1,0,0|2,0,0]=4 368 B9R1.69 CN1CCC(CC1=O)N Z1795817781 [0,1,0,1,0,0|2,0,0]=4 369 B9R1.73 CCNC(=O)C1CNC1 Z1346385267 [0,1,0,1,0,0|2,0,0]=4 370 B9R1.73 CCNC(=O)N1CCC1 Z56326478 [0,1,0,1,0,0|2,0,0]=4 371 B9R1.75 CCOC(=O)CC1CC1 Z380123288 [0,1,0,1,0,0|1,0,0]=3 372 B9R1.75 CCOC(=O)CC1CO1 Z1255420015 [0,1,0,1,0,0|0,1,0]=3 373 B9R1.75 CCOC(=O)C[C@@H]1CO1 Z1198160302 [0,1,0,1,0,0|0,1,0]=3 374 B9R1.75 CCOC(=O)C[C@H]1CO1 Z1255395520 [0,1,0,1,0,0|0,1,0]=3 375 B9R1.100 C=CCCC(=O)C1CC1 Z1124751252 [0,1,0,1,0,0|2,0,0]=4 376 B9R1.100 CSCCC(=O)C1CC1 Z1201678963 [0,1,0,1,0,0|1,0,0]=3 377 B9R1.100 NCCNC(=O)C1CC1 Z910842406 [0,1,0,1,0,0|2,0,0]=4 378 B9R1.100 NCCOC(=O)C1CC1 Z1992316419 [0,1,0,1,0,0|1,0,0]=3 379 B9R1.183 CCOC(=O)[C@@H]1O[C@H]1C Z4066615591 [0,1,0,1,0,0|0,1,0]=3 380 B9R1.183 CCOC(=O)[C@H]1O[C@H]1C Z1201618591 [0,1,0,1,0,0|0,1,0]=3 381 B9R1.3 CC1CCCC(=O)C1C Z1198319146 [0,1,0,1,0,0|2,0,0]=4 382 B9R1.3 CC1CCNC(=O)C1N Z1203587127 [0,1,0,1,0,0|2,0,0]=4 383 B9R1.3 C[C@@H]1NCCC(=O)[C@H]1C Z4513729412 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.5 CC1CCCCNC1=O Z1198181151 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.5 NC1CCCCCC1=O Z2213893401 [0,1,0,1,0,0|2,0,0]=4 386 B9R1.5 NC1CCCCNC1=O Z281895050 [0,1,0,1,0,0|2,0,0]=4 387 B9R1.5 O=C1CCCCCC1Cl Z223607164 [0,1,0,1,0,0|2,0,0]=4 388 B9R1.5 O=C1NCCCCC1Br Z220343714 [0,1,0,1,0,0|2,0,0]=4 389 B9R1.37 CC1NC(=O)C(C1C)C Z1509031333 [0,1,0,1,0,0|2,0,0]=4 390 B9R1.74 CCNC(=O)C1(CC1)N Z1457935649 [0,1,0,1,0,0|2,0,0]=4 391 B9R1.74 CCOC(=O)C1(CO1)C Z1651105663 [0,1,0,1,0,0|0,1,0]=3 392 B9R1.202 CC1(CCNC1=O)CN Z2718904458 [0,1,0,1,0,0|2,0,0]=4 393 B9R1.202 CC1(CCNC1=O)CO Z1868060587 [0,1,0,1,0,0|1,1,0]=4 394 B9R1.38 CC1CC(=O)NC1(C)C Z1258978106 [0,1,0,1,0,0|2,0,0]=4 395 B9R1.41 CC(C)C1CCCC1=O Z993018308 [0,1,0,1,0,0|2,0,0]=4 396 B9R1.41 CC(C)C1CCNC1=O Z1203830076 [0,1,0,1,0,0|2,0,0]=4 397 B9R1.66 CC1(CCNC(=O)C1)C Z1203732167 [0,1,0,1,0,0|2,0,0]=4 398 B9R1.66 O=C1CC(CCN1)(F)F Z1198724133 [0,1,0,1,0,0|2,0,0]=4 399 B9R1.43 CCOC(C=O)C1CC1 Z2178582008 [0,1,0,1,0,0|1,0,1]=4 400 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [0,1,0,1,0,0|2,0,0]=4 401 B9R1.175 CCOC1(CCC1)C=O Z3243444616 [0,1,0,1,0,0|1,0,1]=4 402 B9R2.21 O=C1CC2CC2CN1 Z2941655402 [0,0,0,2,0,0|2,0,0]=4 403 B9R2.39 O=C1NC2CCC1C2 Z1238833321 [0,0,0,2,0,0|2,0,0]=4 404 B9R2.7 O=C1NC2C1CCC2 Z1250169685 [0,0,0,2,0,0|2,0,0]=4 405 B9R2.7 O=C1N[C@H]2[C@@H]1CCC2 Z2307158154 [0,0,0,2,0,0|2,0,0]=4 406 B9R2.5 O=C1OCCC12CO2 Z3038215235 [0,0,0,2,0,0|0,1,0]=3 407 B9R2.20 O=C1NC[C@H]2[C@@H]1CC2 Z3445405198 [0,0,0,2,0,0|2,0,0]=4 408 B9R2.33 O=C1NC2CCC2O1 Z1203735217 [0,0,0,2,0,0|2,0,0]=4