0 B6R0.6 C#CCCCCN Z1431002697 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.6 C#CCNCCC Z815264308 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.6 C#CCNCCF Z3325124018 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.6 C#CCSCCN Z1250132324 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.6 C=C/C=C/CCN Z2786180930 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C=CCCCCN Z1198160046 [0,0,0,0,0,0|1,0,1]=2 6 B6R0.6 C=CCNCCO Z137800938 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.6 C=CCOCCN Z976678988 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 C=CCSCCN Z1262237162 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CCC#CCCN Z1203585246 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.6 CCCCCCO Z104473568 [0,0,0,0,0,0|2,0,0]=2 11 B6R0.6 CCCCN=C=S Z104473876 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCCNCC#N Z235653524 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.6 CCCOCCN Z4449042604 [0,0,0,0,0,0|2,0,0]=2 14 B6R0.6 CCNCCCF Z1203824341 [0,0,0,0,0,0|3,0,0]=3 15 B6R0.6 CCNCCCO Z138139914 [0,0,0,0,0,0|3,0,0]=3 16 B6R0.6 CCNCCSC Z2412193591 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.6 CCOCCCO Z1080358490 [0,0,0,0,0,0|3,0,0]=3 18 B6R0.6 CNCCCCN Z2939606540 [0,0,0,0,0,0|2,0,0]=2 19 B6R0.6 CNCCCCO Z839096662 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.6 CNCCCOC Z137847932 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.6 CNCCCSC Z102766932 [0,0,0,0,0,0|4,0,0]=4 22 B6R0.6 COCCCC#N Z295205400 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.6 COCCCCO Z431605254 [0,0,0,0,0,0|3,0,0]=3 24 B6R0.6 CONCCCN Z2492414217 [0,0,0,0,0,0|3,0,0]=3 25 B6R0.6 ClCCNCCCl Z57388616 [0,0,0,0,0,0|3,0,0]=3 26 B6R0.6 FCCNCCF Z4880681336 [0,0,0,0,0,0|3,0,0]=3 27 B6R0.6 N#CCCCCN Z823279224 [0,0,0,0,0,0|0,0,2]=2 28 B6R0.6 N#CCCCCO Z431952150 [0,0,0,0,0,0|1,0,2]=3 29 B6R0.6 NCC#CCCO Z1203639371 [0,0,0,0,0,0|1,0,2]=3 30 B6R0.6 NCCC#CCO Z4947584692 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.6 NCCCCCF Z3524160733 [0,0,0,0,0,0|1,0,0]=1 32 B6R0.6 NCCCCCN Z951173830 [0,0,0,0,0,0|0,0,0]=0 33 B6R0.6 NCCNCCN Z104475186 [0,0,0,0,0,0|1,0,0]=1 34 B6R0.6 O=CCCCC=O Z57127529 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.6 OCCNCCO Z104475196 [0,0,0,0,0,0|3,0,0]=3 36 B5R0.2 C#CCCCN Z1945700461 [1,0,0,0,0,0|0,0,2]=3 37 B5R0.2 C#CCCNC Z3270794267 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 C#CCNCC Z815264056 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 C/C=C/CCN Z1268152372 [1,0,0,0,0,0|0,0,2]=3 40 B5R0.2 C=CCCCN Z993058434 [1,0,0,0,0,0|0,0,2]=3 41 B5R0.2 C=CCNCC Z2044769224 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CC#CCCO Z1033337288 [1,0,0,0,0,0|1,0,2]=4 43 B5R0.2 CCC#CCN Z4935566672 [1,0,0,0,0,0|0,0,2]=3 44 B5R0.2 CCCCC=O Z104472992 [1,0,0,0,0,0|1,0,1]=3 45 B5R0.2 CCCCCN Z104472246 [1,0,0,0,0,0|0,0,0]=1 46 B5R0.2 CCCNCC Z138446288 [1,0,0,0,0,0|2,0,0]=3 47 B5R0.2 CCNCC#N Z235583784 [1,0,0,0,0,0|1,0,2]=4 48 B5R0.2 CCNCCF Z1198305484 [1,0,0,0,0,0|2,0,0]=3 49 B5R0.2 CCNCCO Z1258992395 [1,0,0,0,0,0|2,0,0]=3 50 B5R0.2 CCNOCC Z223690220 [1,0,0,0,0,0|3,0,0]=4 51 B5R0.2 CCOCC#N Z295205412 [1,0,0,0,0,0|1,0,2]=4 52 B5R0.2 CCOCCN Z271005962 [1,0,0,0,0,0|1,0,0]=2 53 B5R0.2 CCOCCO Z104473122 [1,0,0,0,0,0|2,0,0]=3 54 B5R0.2 CCSCCN Z3061111063 [1,0,0,0,0,0|1,0,0]=2 55 B5R0.2 CNCCCO Z104756980 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.2 CNCCOC Z1259162131 [1,0,0,0,0,0|3,0,0]=4 57 B5R0.2 CNCCSC Z1398461959 [1,0,0,0,0,0|3,0,0]=4 58 B5R0.2 COCCC#N Z277467992 [1,0,0,0,0,0|1,0,2]=4 59 B5R0.2 COCCCO Z431517702 [1,0,0,0,0,0|2,0,0]=3 60 B5R0.2 COCCOC Z104473014 [1,0,0,0,0,0|3,0,0]=4 61 B5R0.2 N#CCCCN Z1649677743 [1,0,0,0,0,0|0,0,2]=3 62 B5R0.2 N#CCCCO Z385458622 [1,0,0,0,0,0|1,0,2]=4 63 B5R0.2 NC/C=C/CN Z2235386837 [1,0,0,0,0,0|0,0,2]=3 64 B5R0.2 NCCC#CBr Z4777809731 [1,0,0,0,0,0|1,0,2]=4 65 B5R0.2 NCCCCF Z2177031126 [1,0,0,0,0,0|1,0,0]=2 66 B5R0.2 NCCCCN Z104472592 [1,0,0,0,0,0|0,0,0]=1 67 B7R0.1 C#CCOCCCN Z4502872707 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.1 CC#CCCCCO Z1233226212 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.1 CCCCCCCO Z104473596 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.1 CCCCCCNC Z5419328797 [0,1,0,0,0,0|1,0,0]=2 71 B7R0.1 CCCCOCCN Z409191398 [0,1,0,0,0,0|1,0,0]=2 72 B7R0.1 CCCOCCCO Z1080358966 [0,1,0,0,0,0|2,0,0]=3 73 B7R0.1 CCNCCOCC Z138138014 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.1 CCOCCCC#N Z295205414 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.1 CCOCCCCO Z993012560 [0,1,0,0,0,0|2,0,0]=3 76 B7R0.1 CCSCCCC#N Z332378682 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.1 CNCCCCCN Z4097840720 [0,1,0,0,0,0|0,0,0]=1 78 B7R0.1 CNCCCCOC Z875082126 [0,1,0,0,0,0|2,0,0]=3 79 B7R0.1 COCCCCC#N Z815260498 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.1 COCCCCCN Z608347192 [0,1,0,0,0,0|1,0,0]=2 81 B7R0.1 COCCCCCO Z993012416 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.1 COCCNCCF Z2512872814 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.1 COCCNCCN Z2940670642 [0,1,0,0,0,0|2,0,0]=3 84 B7R0.1 COCCNCCO Z266088374 [0,1,0,0,0,0|3,0,0]=4 85 B7R0.1 COCCOCCN Z285178622 [0,1,0,0,0,0|2,0,0]=3 86 B7R0.1 COCCOCCO Z849748688 [0,1,0,0,0,0|3,0,0]=4 87 B7R0.1 CSCCCCC#N Z823282284 [0,1,0,0,0,0|1,0,2]=4 88 B7R0.1 CSCCCCCN Z823285026 [0,1,0,0,0,0|1,0,0]=2 89 B7R0.1 CSCCCCCO Z968557058 [0,1,0,0,0,0|2,0,0]=3 90 B7R0.1 CSCCCCSC Z1198148193 [0,1,0,0,0,0|3,0,0]=4 91 B7R0.1 ClCCCNCCCl Z2242062238 [0,1,0,0,0,0|2,0,0]=3 92 B7R0.1 N#CCCNCCO Z53116581 [0,1,0,0,0,0|1,0,2]=4 93 B7R0.1 NCCCCCCN Z104473514 [0,1,0,0,0,0|0,0,0]=1 94 B7R0.1 NCCOCCCO Z2044949087 [0,1,0,0,0,0|1,0,0]=2 95 B7R0.1 NCCSCCCO Z406685362 [0,1,0,0,0,0|1,0,0]=2 96 B7R0.1 OCCCCCCBr Z1255398867 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.1 OCCCCCCO Z104473540 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.1 OCCCNCCO Z104654390 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.1 OCCCOCCO Z1373668758 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.1 OCCCSCCO Z149155194 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.1 OCCSSCCO Z1255415413 [0,1,0,0,0,0|3,0,0]=4 102 B7R0.3 CC(CN)CCCO Z2234185702 [0,1,0,0,0,0|1,0,0]=2 103 B7R0.3 CCC(=O)NCCN Z1455674775 [0,1,0,0,0,0|2,0,1]=4 104 B7R0.3 CCC(C)NCCO Z335251014 [0,1,0,0,0,0|3,0,0]=4 105 B7R0.3 CCC(N)CCOC Z818738108 [0,1,0,0,0,0|3,0,0]=4 106 B7R0.3 CCC(O)CCCN Z1259162031 [0,1,0,0,0,0|1,0,0]=2 107 B7R0.3 CCCCC(=O)CC Z406378226 [0,1,0,0,0,0|2,0,1]=4 108 B7R0.3 CCCCC(C)NC Z446022384 [0,1,0,0,0,0|3,0,0]=4 109 B7R0.3 CCCCC(N)CC Z3303777618 [0,1,0,0,0,0|2,0,0]=3 110 B7R0.3 CCCCC(N)CN Z756921038 [0,1,0,0,0,0|1,0,0]=2 111 B7R0.3 CCNCC(C)CC Z335456758 [0,1,0,0,0,0|3,0,0]=4 112 B7R0.3 CCNCC(O)CC Z600449680 [0,1,0,0,0,0|3,0,0]=4 113 B7R0.3 CCOCC(O)CN Z271097110 [0,1,0,0,0,0|2,0,0]=3 114 B7R0.3 CCOCC(O)CO Z1178483452 [0,1,0,0,0,0|3,0,0]=4 115 B7R0.3 CNC(=O)CCCN Z451350656 [0,1,0,0,0,0|2,0,1]=4 116 B7R0.3 COCCC(C)CN Z879061310 [0,1,0,0,0,0|2,0,0]=3 117 B7R0.3 NCC(=O)NCCO Z401366912 [0,1,0,0,0,0|2,0,1]=4 118 B7R0.3 NCCCC(=O)NO Z3488307998 [0,1,0,0,0,0|2,0,1]=4 119 B7R0.4 CC(=O)NCCCN Z295405102 [0,1,0,0,0,0|2,0,1]=4 120 B7R0.4 CC(C)CCCCN Z1250132304 [0,1,0,0,0,0|1,0,0]=2 121 B7R0.4 CC(C)CNCCO Z3269089575 [0,1,0,0,0,0|3,0,0]=4 122 B7R0.4 CC(C)COCCN Z594038266 [0,1,0,0,0,0|2,0,0]=3 123 B7R0.4 CC(C)CSCCN Z1520645037 [0,1,0,0,0,0|2,0,0]=3 124 B7R0.4 CC(C)NCCCO Z56799938 [0,1,0,0,0,0|3,0,0]=4 125 B7R0.4 CC(C)OCCCN Z2677507870 [0,1,0,0,0,0|2,0,0]=3 126 B7R0.4 CC(C)OCCCO Z1080358780 [0,1,0,0,0,0|3,0,0]=4 127 B7R0.4 CC(N)CCCCN Z2186882580 [0,1,0,0,0,0|0,0,0]=1 128 B7R0.4 CC(N)CCCCO Z2234185667 [0,1,0,0,0,0|1,0,0]=2 129 B7R0.4 CCCCCC(=N)N Z3490473907 [0,1,0,0,0,0|1,0,1]=3 130 B7R0.4 CCCCCC(=O)O Z104503532 [0,1,0,0,0,0|2,0,1]=4 131 B7R0.4 CCCCCC(C)N Z104495176 [0,1,0,0,0,0|1,0,0]=2 132 B7R0.4 CCCCNC(=S)N Z56930717 [0,1,0,0,0,0|2,0,1]=4 133 B7R0.4 CCCCOC(=O)N Z104476286 [0,1,0,0,0,0|2,0,1]=4 134 B7R0.4 CCCNCC(=O)N Z2211231296 [0,1,0,0,0,0|2,0,1]=4 135 B7R0.4 CCCNCC(C)C Z90518190 [0,1,0,0,0,0|3,0,0]=4 136 B7R0.4 CCCNCC(F)F Z1262250827 [0,1,0,0,0,0|3,0,0]=4 137 B7R0.4 CCNCCC(=O)N Z2681234913 [0,1,0,0,0,0|2,0,1]=4 138 B7R0.4 CN(C)CCCCN Z285162754 [0,1,0,0,0,0|2,0,0]=3 139 B7R0.4 COCCCC(=N)N Z1267882086 [0,1,0,0,0,0|2,0,1]=4 140 B7R0.4 COCCCC(C)O Z854048762 [0,1,0,0,0,0|3,0,0]=4 141 B7R0.4 NC(=O)COCCO Z1198148880 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.4 NC(=O)NCCCO Z198194722 [0,1,0,0,0,0|2,0,1]=4 143 B7R0.4 NCCCCC(=O)N Z1639630947 [0,1,0,0,0,0|0,0,1]=2 144 B7R0.4 NCCCCC(=O)O Z271111992 [0,1,0,0,0,0|1,0,1]=3 145 B7R0.4 NCCCCC(F)F Z4580667156 [0,1,0,0,0,0|1,0,0]=2 146 B7R0.4 NCCCOC(=O)N Z3337481796 [0,1,0,0,0,0|1,0,1]=3 147 B7R0.4 NCCCSC(F)F Z4644353863 [0,1,0,0,0,0|2,0,0]=3 148 B7R0.4 NCCNCC(=O)O Z2692249907 [0,1,0,0,0,0|2,0,1]=4 149 B7R0.4 NCCOCC(=O)N Z1428158847 [0,1,0,0,0,0|1,0,1]=3 150 B7R0.4 NCCOCC(=O)O Z1650039500 [0,1,0,0,0,0|2,0,1]=4 151 B7R0.4 NCCSCC(=O)O Z1381287295 [0,1,0,0,0,0|2,0,1]=4 152 B7R0.4 O=C(O)CCCCBr Z104479696 [0,1,0,0,0,0|2,0,1]=4 153 B7R0.4 O=C(O)CCCCS Z808230828 [0,1,0,0,0,0|2,0,1]=4 154 B7R0.4 O=C([O-])CCCCO Z2335631573 [0,1,0,0,0,0|2,0,1]=4 155 B7R0.4 OCCNCC(F)F Z608352548 [0,1,0,0,0,0|3,0,0]=4 156 B7R0.4 OCCOCC(F)F Z1251415632 [0,1,0,0,0,0|3,0,0]=4 157 B7R0.7 CCCC(C)CCN Z2768767726 [0,1,0,0,0,0|1,0,0]=2 158 B7R0.7 CCCC(C)CNC Z3214687920 [0,1,0,0,0,0|3,0,0]=4 159 B7R0.7 CCCC(O)CCO Z1198158209 [0,1,0,0,0,0|2,0,0]=3 160 B7R0.7 CCNC(=O)CCN Z1449756826 [0,1,0,0,0,0|2,0,1]=4 161 B7R0.7 COCC(N)CCO Z1238548168 [0,1,0,0,0,0|3,0,0]=4 162 B7R0.7 COCC(O)CCN Z1182310348 [0,1,0,0,0,0|2,0,0]=3 163 B7R0.7 NCCC(N)CCN Z4461966452 [0,1,0,0,0,0|0,0,0]=1 164 B7R0.7 NCCC(O)CCN Z4497194547 [0,1,0,0,0,0|0,0,0]=1 165 B7R1.1 BrCC1CCCO1 Z90660999 [0,0,0,1,0,0|2,0,0]=3 166 B7R1.1 C#CC1CCCN1 Z1203832764 [0,0,0,1,0,0|1,0,1]=3 167 B7R1.1 CCC1CCCN1 Z281773802 [0,0,0,1,0,0|1,0,0]=2 168 B7R1.1 CCC1CCNC1 Z1407004100 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.1 CNC1CCCC1 Z102766802 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.1 ClCC1CCCO1 Z56893271 [0,0,0,1,0,0|2,0,0]=3 171 B7R1.1 FCC1CCCN1 Z2216711551 [0,0,0,1,0,0|1,0,0]=2 172 B7R1.1 N#CC1CCCC1 Z285131394 [0,0,0,1,0,0|1,0,2]=4 173 B7R1.1 N#CC1CCCO1 Z1079178976 [0,0,0,1,0,0|1,0,2]=4 174 B7R1.1 N#CC1CCCS1 Z1201681638 [0,0,0,1,0,0|1,0,2]=4 175 B7R1.1 NCC1=NCCN1 Z2714784585 [0,0,0,1,0,0|1,0,1]=3 176 B7R1.1 NCC1=NOCC1 Z3217343112 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.1 NCC1C=CCC1 Z2768196818 [0,0,0,1,0,0|1,0,1]=3 178 B7R1.1 NCC1CC=CC1 Z2310699469 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.1 NCC1CCCC1 Z367452206 [0,0,0,1,0,0|1,0,0]=2 180 B7R1.1 NCC1CCCS1 Z1201677924 [0,0,0,1,0,0|1,0,0]=2 181 B7R1.1 NCC1COCO1 Z2298138033 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.1 NC[C@@H]1CCCN1 Z3235020468 [0,0,0,1,0,0|0,0,0]=1 183 B7R1.1 NC[C@H]1CCCN1 Z1483956794 [0,0,0,1,0,0|0,0,0]=1 184 B7R1.1 NNC1CCCC1 Z285139110 [0,0,0,1,0,0|2,0,0]=3 185 B7R1.1 O=CC1CCCC1 Z875036058 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.1 OCC1CCCC1 Z397587414 [0,0,0,1,0,0|2,0,0]=3 187 B7R1.1 OCC1CCCN1 Z825308062 [0,0,0,1,0,0|1,0,0]=2 188 B7R1.1 OCC1CCCS1 Z1201679857 [0,0,0,1,0,0|2,0,0]=3 189 B7R1.1 OCC1CCNC1 Z976722188 [0,0,0,1,0,0|3,0,0]=4 190 B7R1.1 OCC1CCOC1 Z335245192 [0,0,0,1,0,0|3,0,0]=4 191 B7R1.1 OCC1CCSC1 Z1201679855 [0,0,0,1,0,0|3,0,0]=4 192 B7R1.1 OC[C@@H]1CCCN1 Z1123715411 [0,0,0,1,0,0|1,0,0]=2 193 B7R1.3 CC1CNCCN1 Z104480242 [0,0,0,1,0,0|2,0,0]=3 194 B7R1.3 CC1CNCCO1 Z204013884 [0,0,0,1,0,0|3,0,0]=4 195 B7R1.3 CC1CNCCS1 Z334686272 [0,0,0,1,0,0|3,0,0]=4 196 B7R1.3 CC1COCCN1 Z336087928 [0,0,0,1,0,0|2,0,0]=3 197 B7R1.3 CC1CSCCN1 Z334686282 [0,0,0,1,0,0|2,0,0]=3 198 B7R1.3 C[C@H]1CCCNC1 Z1895741201 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.3 C[C@H]1CNCCN1 Z1187834254 [0,0,0,1,0,0|2,0,0]=3 200 B7R1.3 FC1CCNCC1 Z1741960061 [0,0,0,1,0,0|3,0,0]=4 201 B7R1.3 NC1=NCCCC1 Z1723418848 [0,0,0,1,0,0|0,0,2]=3 202 B7R1.3 NC1=NCCCN1 Z1259041088 [0,0,0,1,0,0|1,0,1]=3 203 B7R1.3 NC1=NCCCS1 Z2211231389 [0,0,0,1,0,0|1,0,2]=4 204 B7R1.3 NC1C=CCCC1 Z1203579654 [0,0,0,1,0,0|1,0,1]=3 205 B7R1.3 NC1CCCCC1 Z1945707495 [0,0,0,1,0,0|1,0,0]=2 206 B7R1.3 NC1CCCOC1 Z1013492300 [0,0,0,1,0,0|2,0,0]=3 207 B7R1.3 NC1CCCSC1 Z1029463244 [0,0,0,1,0,0|2,0,0]=3 208 B7R1.3 NC1CCOCC1 Z600428352 [0,0,0,1,0,0|2,0,0]=3 209 B7R1.3 NC1CCSCC1 Z992716928 [0,0,0,1,0,0|2,0,0]=3 210 B7R1.3 O=C1CCCCC1 Z104474256 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.3 O=C1CCCCN1 Z168817684 [0,0,0,1,0,0|1,0,1]=3 212 B7R1.3 O=C1CCCCO1 Z432085120 [0,0,0,1,0,0|2,0,1]=4 213 B7R1.3 O=C1CCCCS1 Z1726147018 [0,0,0,1,0,0|2,0,1]=4 214 B7R1.3 O=C1CCCNN1 Z1416174508 [0,0,0,1,0,0|2,0,1]=4 215 B7R1.3 O=C1CNCCN1 Z56968535 [0,0,0,1,0,0|2,0,1]=4 216 B7R1.3 O=C1CSCCN1 Z337709368 [0,0,0,1,0,0|2,0,1]=4 217 B7R1.3 O=C1NCCCN1 Z1203730774 [0,0,0,1,0,0|2,0,1]=4 218 B7R1.3 O=C1NCCCO1 Z1198312172 [0,0,0,1,0,0|2,0,1]=4 219 B7R1.3 OC1CCCCC1 Z104473498 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 OC1CCCSC1 Z993818972 [0,0,0,1,0,0|3,0,0]=4 221 B7R1.3 OC1CCNCC1 Z56347197 [0,0,0,1,0,0|3,0,0]=4 222 B7R1.3 OC1CCOCC1 Z1359429523 [0,0,0,1,0,0|3,0,0]=4 223 B7R1.3 OC1CNCCO1 Z1428160315 [0,0,0,1,0,0|3,0,0]=4 224 B7R1.4 C=C1COCC1N Z3066568668 [0,0,0,1,0,0|2,0,1]=4 225 B7R1.4 CC1CCCC1=O Z813018382 [0,0,0,1,0,0|2,0,1]=4 226 B7R1.4 CC1CCCC1N Z1219738990 [0,0,0,1,0,0|1,0,0]=2 227 B7R1.4 CC1CCNC1C Z1335657674 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.4 CC1CNCC1C Z1281657986 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.4 CC1SCCC1N Z2408712737 [0,0,0,1,0,0|2,0,0]=3 230 B7R1.4 C[C@@H]1CCC[C@@H]1N Z2309845262 [0,0,0,1,0,0|1,0,0]=2 231 B7R1.4 C[C@@H]1CCC[C@H]1N Z2568757690 [0,0,0,1,0,0|1,0,0]=2 232 B7R1.4 C[C@@H]1CNC[C@@H]1O Z2309845194 [0,0,0,1,0,0|3,0,0]=4 233 B7R1.4 C[C@@H]1NCC[C@H]1O Z2235678880 [0,0,0,1,0,0|3,0,0]=4 234 B7R1.4 C[C@H]1OCC[C@H]1N Z2186882122 [0,0,0,1,0,0|2,0,0]=3 235 B7R1.4 NC1CCOC1=O Z56921763 [0,0,0,1,0,0|2,0,1]=4 236 B7R1.4 NC1CCSC1=O Z56922158 [0,0,0,1,0,0|2,0,1]=4 237 B7R1.4 N[C@@H]1CCC[C@@H]1O Z2306841441 [0,0,0,1,0,0|1,0,0]=2 238 B7R1.4 N[C@@H]1CCC[C@H]1N Z2786079696 [0,0,0,1,0,0|0,0,0]=1 239 B7R1.4 N[C@@H]1CCC[C@H]1O Z2256393934 [0,0,0,1,0,0|1,0,0]=2 240 B7R1.4 N[C@@H]1CCSC1=O Z5069355115 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 N[C@@H]1COC[C@@H]1F Z2756848808 [0,0,0,1,0,0|2,0,0]=3 242 B7R1.4 N[C@@H]1COC[C@H]1F Z4185697479 [0,0,0,1,0,0|2,0,0]=3 243 B7R1.4 N[C@@H]1COC[C@H]1N Z2306914123 [0,0,0,1,0,0|1,0,0]=2 244 B7R1.4 N[C@@H]1CSC[C@@H]1O Z3068057819 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 N[C@H]1CCC[C@@H]1O Z1197994837 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 N[C@H]1CCSC1=O Z5069354967 [0,0,0,1,0,0|2,0,1]=4 247 B7R1.4 N[C@H]1CNC[C@H]1N Z4670285097 [0,0,0,1,0,0|1,0,0]=2 248 B7R1.4 O=C1CCCC1Cl Z104492966 [0,0,0,1,0,0|2,0,1]=4 249 B7R1.4 OC1CCCC1O Z600452564 [0,0,0,1,0,0|2,0,0]=3 250 B7R1.4 OC1CNCC1O Z1147229592 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 O[C@@H]1CNC[C@H]1F Z2307368320 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 O[C@@H]1CNC[C@H]1O Z2309778206 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.4 O[C@H]1CNC[C@H]1O Z1318268689 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.5 CC1CC1CCN Z4888675966 [0,0,0,1,0,0|1,0,0]=2 255 B7R1.5 CCC[C@@H]1C[C@H]1N Z2298098035 [0,0,0,1,0,0|1,0,0]=2 256 B7R1.5 CNCC1CC1C Z3752925195 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.6 CCCC1CNC1 Z2310679174 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.6 CCNC1CCC1 Z2144245483 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.6 CNCC1CCC1 Z1692482598 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.6 COCC1CCN1 Z2213893372 [0,0,0,1,0,0|2,0,0]=3 261 B7R1.6 N#CCC1CCC1 Z1198184443 [0,0,0,1,0,0|1,0,2]=4 262 B7R1.6 NCCC1CCC1 Z1405445718 [0,0,0,1,0,0|1,0,0]=2 263 B7R1.6 NCCN1CCC1 Z1203582961 [0,0,0,1,0,0|2,0,0]=3 264 B7R1.6 O=CCC1CCC1 Z1198184444 [0,0,0,1,0,0|2,0,1]=4 265 B7R1.7 C=CCCC1CO1 Z1255485443 [0,0,0,1,0,0|2,0,1]=4 266 B7R1.7 CCCCC1CO1 Z1020679810 [0,0,0,1,0,0|2,0,0]=3 267 B7R1.7 CCNCC1CC1 Z1692483163 [0,0,0,1,0,0|3,0,0]=4 268 B7R1.7 CCOCC1CO1 Z271128258 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.7 CNCCC1CC1 Z1480642691 [0,0,0,1,0,0|3,0,0]=4 270 B7R1.7 COCCC1CO1 Z1495386141 [0,0,0,1,0,0|3,0,0]=4 271 B7R1.7 FCCNC1CC1 Z5629279666 [0,0,0,1,0,0|3,0,0]=4 272 B7R1.7 NCC#CC1CC1 Z3016946155 [0,0,0,1,0,0|1,0,2]=4 273 B7R1.7 NCCCC1CC1 Z2465611603 [0,0,0,1,0,0|1,0,0]=2 274 B7R1.7 NCCNC1CC1 Z756920128 [0,0,0,1,0,0|2,0,0]=3 275 B7R1.7 NCCOC1CC1 Z2786559006 [0,0,0,1,0,0|2,0,0]=3 276 B7R1.7 O=CCCC1CC1 Z1233208002 [0,0,0,1,0,0|2,0,1]=4 277 B7R1.7 OCCNC1CC1 Z285050134 [0,0,0,1,0,0|3,0,0]=4 278 B7R1.8 CN[C@@H]1CC[C@H]1O Z2678247023 [0,0,0,1,0,0|3,0,0]=4 279 B7R1.8 CO[C@@H]1CC[C@H]1N Z2311224799 [0,0,0,1,0,0|2,0,0]=3 280 B7R1.9 CCC1CC1C=O Z1513989944 [0,0,0,1,0,0|2,0,1]=4 281 B7R1.9 CC[C@@H]1C[C@H]1C=O Z3300760890 [0,0,0,1,0,0|2,0,1]=4 282 B7R1.9 CC[C@@H]1C[C@H]1CN Z2235810238 [0,0,0,1,0,0|1,0,0]=2 283 B7R1.9 ClC[C@H]1O[C@H]1CCl Z1205660922 [0,0,0,1,0,0|3,0,0]=4 284 B7R1.24 C1=CCCNCC1 Z1255363448 [0,0,0,1,0,0|1,0,2]=4 285 B7R1.24 C1CCCNCC1 Z57127566 [0,0,0,1,0,0|1,0,0]=2 286 B7R1.24 C1CCNOCC1 Z1824482753 [0,0,0,1,0,0|1,0,0]=2 287 B7R1.24 C1CNCCOC1 Z359510198 [0,0,0,1,0,0|2,0,0]=3 288 B7R1.24 C1CNCCSC1 Z1954803255 [0,0,0,1,0,0|2,0,0]=3 289 B7R1.24 C1CSSCCN1 Z1203735354 [0,0,0,1,0,0|3,0,0]=4 290 B4R0.2 C#CCCN Z1267881669 [2,0,0,0,0,0|0,0,2]=4 291 B4R0.2 CC#CCN Z1713595498 [2,0,0,0,0,0|0,0,2]=4 292 B4R0.2 CCCC#N Z238878246 [2,0,0,0,0,0|0,0,2]=4 293 B4R0.2 CCCCN Z104474314 [2,0,0,0,0,0|0,0,0]=2 294 B4R0.2 CCCCO Z104473488 [2,0,0,0,0,0|1,0,0]=3 295 B4R0.2 CCCNN Z415728048 [2,0,0,0,0,0|1,0,0]=3 296 B4R0.2 COCCO Z104473522 [2,0,0,0,0,0|2,0,0]=4 297 B4R0.2 CSCCO Z149154880 [2,0,0,0,0,0|2,0,0]=4 298 B4R0.2 N#CCCN Z1895741700 [2,0,0,0,0,0|0,0,2]=4 299 B4R0.2 NCCCN Z104478068 [2,0,0,0,0,0|0,0,0]=2 300 B4R0.2 NCCCO Z56771034 [2,0,0,0,0,0|1,0,0]=3 301 B6R0.1 C#CCC(N)CC Z969111798 [1,1,0,0,0,0|1,0,1]=4 302 B6R0.1 C#CCC(O)CN Z2491498074 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.1 C=CCC(N)CC Z1981870426 [1,1,0,0,0,0|1,0,1]=4 304 B6R0.1 C=CCC(O)CC Z808662120 [1,1,0,0,0,0|1,0,1]=4 305 B6R0.1 CC(CN)CCO Z1203581915 [1,1,0,0,0,0|1,0,0]=3 306 B6R0.1 CC(CO)CCN Z5410631465 [1,1,0,0,0,0|1,0,0]=3 307 B6R0.1 CCC(C)CNC Z1266854907 [1,1,0,0,0,0|2,0,0]=4 308 B6R0.1 CCC(N)CCO Z1258578227 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.1 CCC(N)COC Z825742260 [1,1,0,0,0,0|2,0,0]=4 310 B6R0.1 CCC(O)CCN Z406342052 [1,1,0,0,0,0|0,0,0]=2 311 B6R0.1 CCC(O)CCO Z1198157972 [1,1,0,0,0,0|1,0,0]=3 312 B6R0.1 CCCC(=O)CN Z1203579017 [1,1,0,0,0,0|0,0,1]=3 313 B6R0.1 CCCC(C)C#N Z415654768 [1,1,0,0,0,0|0,0,2]=4 314 B6R0.1 CCCC(C)NC Z394693580 [1,1,0,0,0,0|2,0,0]=4 315 B6R0.1 CCCC(N)C#N Z398513448 [1,1,0,0,0,0|0,0,2]=4 316 B6R0.1 CCCC(N)CC Z1642389626 [1,1,0,0,0,0|1,0,0]=3 317 B6R0.1 CCCC(N)CN Z425861040 [1,1,0,0,0,0|0,0,0]=2 318 B6R0.1 CCCC(O)CN Z419084742 [1,1,0,0,0,0|0,0,0]=2 319 B6R0.1 CCNC(=O)CN Z54747476 [1,1,0,0,0,0|1,0,1]=4 320 B6R0.1 CCNC(C)CC Z2509351098 [1,1,0,0,0,0|2,0,0]=4 321 B6R0.1 CCOC(=O)CN Z594038186 [1,1,0,0,0,0|1,0,1]=4 322 B6R0.1 CCOC(C)CN Z844631802 [1,1,0,0,0,0|1,0,0]=3 323 B6R0.1 CCS(=O)CCN Z1266854910 [1,1,0,0,0,0|1,0,0]=3 324 B6R0.1 CNC(=O)CCN Z425449754 [1,1,0,0,0,0|1,0,1]=4 325 B6R0.1 CNC(C)CCO Z1198266877 [1,1,0,0,0,0|2,0,0]=4 326 B6R0.1 CNC[C@H](O)CO Z600533638 [1,1,0,0,0,0|2,0,0]=4 327 B6R0.1 COC(C)CCN Z802903932 [1,1,0,0,0,0|1,0,0]=3 328 B6R0.1 COCC(C)CO Z1192375999 [1,1,0,0,0,0|2,0,0]=4 329 B6R0.1 COCC(N)CN Z1203580237 [1,1,0,0,0,0|1,0,0]=3 330 B6R0.1 COCC(N)CO Z1945984156 [1,1,0,0,0,0|2,0,0]=4 331 B6R0.1 COCC(O)CN Z271097108 [1,1,0,0,0,0|1,0,0]=3 332 B6R0.1 CSC(C)CCN Z732208464 [1,1,0,0,0,0|1,0,0]=3 333 B6R0.1 CSC(C)CCO Z1262258908 [1,1,0,0,0,0|2,0,0]=4 334 B6R0.1 CSCC(C)CN Z732208434 [1,1,0,0,0,0|1,0,0]=3 335 B6R0.1 CSCC(C)CO Z1270310211 [1,1,0,0,0,0|2,0,0]=4 336 B6R0.1 CSCC(O)CO Z1126770422 [1,1,0,0,0,0|2,0,0]=4 337 B6R0.1 NCC[C@H](F)CN Z4607150940 [1,1,0,0,0,0|0,0,0]=2 338 B6R0.4 C#CCCC(C)O Z854048672 [1,1,0,0,0,0|1,0,1]=4 339 B6R0.4 C=CCCC(C)N Z3681295487 [1,1,0,0,0,0|0,0,2]=4 340 B6R0.4 CC#CCC(C)N Z975788700 [1,1,0,0,0,0|0,0,2]=4 341 B6R0.4 CC(=O)OCCN Z1973465551 [1,1,0,0,0,0|1,0,1]=4 342 B6R0.4 CC(C)CCCN Z992716898 [1,1,0,0,0,0|0,0,0]=2 343 B6R0.4 CC(C)NCCN Z3375885739 [1,1,0,0,0,0|1,0,0]=3 344 B6R0.4 CC(C)NCCO Z137800940 [1,1,0,0,0,0|2,0,0]=4 345 B6R0.4 CC(C)OCCN Z1688198421 [1,1,0,0,0,0|1,0,0]=3 346 B6R0.4 CC(C)OCCO Z104478444 [1,1,0,0,0,0|2,0,0]=4 347 B6R0.4 CC(C)SCCN Z2092369402 [1,1,0,0,0,0|1,0,0]=3 348 B6R0.4 CC(N)CCCN Z2230911100 [1,1,0,0,0,0|0,0,0]=2 349 B6R0.4 CC(N)CCCO Z1203578676 [1,1,0,0,0,0|1,0,0]=3 350 B6R0.4 CC(O)CCCN Z1198178891 [1,1,0,0,0,0|0,0,0]=2 351 B6R0.4 CCCCB(O)O Z1147227739 [1,1,0,0,0,0|2,0,0]=4 352 B6R0.4 CCCCC(=N)N Z1723418909 [1,1,0,0,0,0|0,0,1]=3 353 B6R0.4 CCCCC(=O)N Z104476278 [1,1,0,0,0,0|0,0,1]=3 354 B6R0.4 CCCCC(=O)O Z104473312 [1,1,0,0,0,0|1,0,1]=4 355 B6R0.4 CCCCC(C)N Z3300506318 [1,1,0,0,0,0|0,0,0]=2 356 B6R0.4 CCCNC(=S)N Z56930715 [1,1,0,0,0,0|1,0,1]=4 357 B6R0.4 CCCOC(=O)N Z1198148877 [1,1,0,0,0,0|1,0,1]=4 358 B6R0.4 CCNCC(=O)N Z1459435506 [1,1,0,0,0,0|1,0,1]=4 359 B6R0.4 CCNCC(C)C Z380844664 [1,1,0,0,0,0|2,0,0]=4 360 B6R0.4 CCNCC(C)O Z138692768 [1,1,0,0,0,0|2,0,0]=4 361 B6R0.4 CCNCC(F)F Z1691545150 [1,1,0,0,0,0|2,0,0]=4 362 B6R0.4 CCOCC(C)N Z839575202 [1,1,0,0,0,0|1,0,0]=3 363 B6R0.4 CCSCC(C)N Z1203641186 [1,1,0,0,0,0|1,0,0]=3 364 B6R0.4 CNCCC(C)C Z607822512 [1,1,0,0,0,0|2,0,0]=4 365 B6R0.4 CNCCC(C)O Z1203731868 [1,1,0,0,0,0|2,0,0]=4 366 B6R0.4 COCCC(=N)N Z1592042674 [1,1,0,0,0,0|1,0,1]=4 367 B6R0.4 COCCC(=O)N Z394696458 [1,1,0,0,0,0|1,0,1]=4 368 B6R0.4 COCCC(C)N Z361881180 [1,1,0,0,0,0|1,0,0]=3 369 B6R0.4 COCCC(C)O Z818738042 [1,1,0,0,0,0|2,0,0]=4 370 B6R0.4 CSCCC(=N)N Z1266823407 [1,1,0,0,0,0|1,0,1]=4 371 B6R0.4 N=C(N)NCCN Z2235813444 [1,1,0,0,0,0|1,0,1]=4 372 B6R0.4 NC(=O)CCCO Z1203578394 [1,1,0,0,0,0|1,0,1]=4 373 B6R0.4 NCCCC(=O)N Z398513418 [1,1,0,0,0,0|0,0,1]=3 374 B6R0.4 NCCCC(=O)O Z104475620 [1,1,0,0,0,0|1,0,1]=4 375 B6R0.4 NCCCC(F)F Z1198165810 [1,1,0,0,0,0|1,0,0]=3 376 B6R0.4 NCCCS(=O)O Z1203579399 [1,1,0,0,0,0|2,0,0]=4 377 B6R0.4 NCCNC(=O)N Z1268152381 [1,1,0,0,0,0|1,0,1]=4 378 B6R0.4 NCCOC(=O)N Z1587257433 [1,1,0,0,0,0|1,0,1]=4 379 B6R0.4 NCCSC(F)F Z2681247712 [1,1,0,0,0,0|2,0,0]=4 380 B8R0.1 CNCCN(C)CCO Z2526438856 [0,2,0,0,0,0|2,0,0]=4 381 B8R0.1 COCCN(C)CCN Z415691186 [0,2,0,0,0,0|2,0,0]=4 382 B8R0.1 COCCS(=O)CCN Z4500883985 [0,2,0,0,0,0|2,0,0]=4 383 B8R0.4 C#CCCCCCCN Z3847490647 [0,2,0,0,0,0|1,0,0]=3 384 B8R0.4 C#CCCCCCCO Z1198157198 [0,2,0,0,0,0|2,0,0]=4 385 B8R0.4 C=CCCCCCCN Z1198263320 [0,2,0,0,0,0|1,0,0]=3 386 B8R0.4 CCCCCCCCO Z104473500 [0,2,0,0,0,0|2,0,0]=4 387 B8R0.4 CCCCCNCCO Z137800944 [0,2,0,0,0,0|2,0,0]=4 388 B8R0.4 CCCCNCCCC Z102766286 [0,2,0,0,0,0|2,0,0]=4 389 B8R0.4 CCCCNCCCO Z102766210 [0,2,0,0,0,0|2,0,0]=4 390 B8R0.4 CCNCCOCCN Z1323539868 [0,2,0,0,0,0|1,0,0]=3 391 B8R0.4 CCOCCOCCN Z2900987685 [0,2,0,0,0,0|1,0,0]=3 392 B8R0.4 COCCCNCCO Z382722010 [0,2,0,0,0,0|2,0,0]=4 393 B8R0.4 COCCNCCCN Z970105370 [0,2,0,0,0,0|1,0,0]=3 394 B8R0.4 COCCOCCCO Z1080358808 [0,2,0,0,0,0|2,0,0]=4 395 B8R0.4 NCCCCCCCN Z275166586 [0,2,0,0,0,0|0,0,0]=2 396 B8R0.4 NCCCCCCCO Z3016956569 [0,2,0,0,0,0|1,0,0]=3 397 B8R0.4 NCCCNCCCN Z1203577926 [0,2,0,0,0,0|0,0,0]=2 398 B8R0.4 OCCCNCCCO Z104684334 [0,2,0,0,0,0|2,0,0]=4 399 B8R0.6 CC(CO)CSCCO Z1270309408 [0,2,0,0,0,0|2,0,0]=4 400 B8R0.6 CCCCCC(=O)NO Z59181978 [0,2,0,0,0,0|1,0,1]=4 401 B8R0.6 CCCCOC(=O)CN Z1266823221 [0,2,0,0,0,0|1,0,1]=4 402 B8R0.6 CCSCCC(C)NC Z1238713350 [0,2,0,0,0,0|2,0,0]=4 403 B8R0.6 CNC(=O)CCCCN Z5282835224 [0,2,0,0,0,0|0,0,1]=3 404 B8R0.6 CNC(=O)COCCN Z1457935024 [0,2,0,0,0,0|1,0,1]=4 405 B8R0.6 CNC(=O)NCCCN Z3475808324 [0,2,0,0,0,0|1,0,1]=4 406 B8R0.6 CNC(=O)OCCCN Z3465972444 [0,2,0,0,0,0|1,0,1]=4 407 B8R0.6 COC(=O)CCCCN Z854942764 [0,2,0,0,0,0|1,0,1]=4 408 B8R0.7 CC(=O)NCCCCN Z600498842 [0,2,0,0,0,0|1,0,1]=4 409 B8R0.7 CC(C)CCCCCO Z1198149583 [0,2,0,0,0,0|2,0,0]=4 410 B8R0.7 CC(C)CCNCCO Z102766092 [0,2,0,0,0,0|2,0,0]=4 411 B8R0.7 CC(C)CCOCCO Z608482468 [0,2,0,0,0,0|2,0,0]=4 412 B8R0.7 CC(C)COCCCO Z1080358758 [0,2,0,0,0,0|2,0,0]=4 413 B8R0.7 CC(C)CSCCCN Z57970257 [0,2,0,0,0,0|1,0,0]=3 414 B8R0.7 CC(C)OCCCCO Z993012606 [0,2,0,0,0,0|2,0,0]=4 415 B8R0.7 CCCCCCC(=N)N Z4088236340 [0,2,0,0,0,0|1,0,0]=3 416 B8R0.7 CCCCCCC(=O)O Z104474412 [0,2,0,0,0,0|2,0,0]=4 417 B8R0.7 CCCCCCC(C)N Z104477186 [0,2,0,0,0,0|1,0,0]=3 418 B8R0.7 CCCCCNC(=N)N Z1090000368 [0,2,0,0,0,0|1,0,1]=4 419 B8R0.7 CCCCNCC(=O)N Z398513412 [0,2,0,0,0,0|1,0,1]=4 420 B8R0.7 CCCNCCN(C)C Z1250222486 [0,2,0,0,0,0|2,0,0]=4 421 B8R0.7 CCSCCCC(=N)N Z1861964086 [0,2,0,0,0,0|1,0,1]=4 422 B8R0.7 CN(C)CCCCCN Z3247604067 [0,2,0,0,0,0|0,0,0]=2 423 B8R0.7 CN(C)CCCCCO Z968555516 [0,2,0,0,0,0|1,0,0]=3 424 B8R0.7 CN(C)CCNCCO Z137800968 [0,2,0,0,0,0|2,0,0]=4 425 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,2,0,0,0,0|1,0,1]=4 426 B8R0.7 CNCCCCC(C)C Z5530305220 [0,2,0,0,0,0|1,0,0]=3 427 B8R0.7 CNCCCCN(C)C Z594229344 [0,2,0,0,0,0|2,0,0]=4 428 B8R0.7 COCCOCC(C)N Z1262237318 [0,2,0,0,0,0|2,0,0]=4 429 B8R0.7 N=C(N)NCCCCN Z2472857139 [0,2,0,0,0,0|0,0,1]=3 430 B8R0.7 N=C(N)SCCCCN Z4741653362 [0,2,0,0,0,0|0,0,1]=3 431 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,2,0,0,0,0|1,0,0]=3 432 B8R0.7 NCCCOCC(=O)O Z3178895188 [0,2,0,0,0,0|1,0,1]=4 433 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,2,0,0,0,0|1,0,1]=4 434 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,2,0,0,0,0|2,0,0]=4 435 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,2,0,0,0,0|2,0,0]=4 436 B8R0.7 OCCCOCC(F)F Z1532734938 [0,2,0,0,0,0|2,0,0]=4 437 B8R0.3 CCC(C)N(C)CCN Z409206004 [0,2,0,0,0,0|2,0,0]=4 438 B8R0.3 CCCC(C)C(N)CO Z2379035176 [0,2,0,0,0,0|2,0,0]=4 439 B8R0.8 CC(N)C(=O)NCCN Z1080379186 [0,2,0,0,0,0|1,0,1]=4 440 B8R0.8 CCCCC(N)C(C)O Z2453175125 [0,2,0,0,0,0|2,0,0]=4 441 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,2,0,0,0,0|1,0,1]=4 442 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,2,0,0,0,0|1,0,1]=4 443 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,2,0,0,0,0|1,0,1]=4 444 B8R0.9 CC(C)CCC(N)CO Z1198179431 [0,2,0,0,0,0|2,0,0]=4 445 B8R0.9 CC(C)CCC(O)CO Z1617994519 [0,2,0,0,0,0|2,0,0]=4 446 B8R0.9 CC(CN)CCC(=O)O Z1739254655 [0,2,0,0,0,0|1,0,1]=4 447 B8R0.9 CCC(O)CCC(C)C Z838962512 [0,2,0,0,0,0|2,0,0]=4 448 B8R0.9 C[C@@H](CN)NCC(F)F Z1881598209 [0,2,0,0,0,0|2,0,0]=4 449 B8R0.9 NCC(N)CCC(=O)O Z1259335825 [0,2,0,0,0,0|1,0,1]=4 450 B8R0.11 CCC(CC)CCCN Z4958827133 [0,2,0,0,0,0|1,0,0]=3 451 B8R0.11 CCC(CC)CCCO Z1198265454 [0,2,0,0,0,0|2,0,0]=4 452 B8R0.11 CCC(CC)NCCN Z600492708 [0,2,0,0,0,0|2,0,0]=4 453 B8R0.11 COC(CN)CCSC Z4918222120 [0,2,0,0,0,0|2,0,0]=4 454 B8R0.19 CC(CO)CC(C)CO Z1509057634 [0,2,0,0,0,0|2,0,0]=4 455 B8R0.19 CCC(C)CC(N)CO Z1198179422 [0,2,0,0,0,0|2,0,0]=4 456 B8R0.19 CCC(N)CC(C)CO Z1270456881 [0,2,0,0,0,0|2,0,0]=4 457 B8R0.25 CC(C)(CN)CCCO Z1251362804 [0,2,0,0,0,0|1,0,0]=3 458 B8R0.25 CC(C)(CN)OCCO Z4912053140 [0,2,0,0,0,0|2,0,0]=4 459 B8R0.25 CC(C)(CO)CCCN Z1203160200 [0,2,0,0,0,0|1,0,0]=3 460 B8R0.25 CCCCC(C)(N)CO Z2379804923 [0,2,0,0,0,0|2,0,0]=4 461 B8R0.25 CCOCC(C)(C)CN Z1335969590 [0,2,0,0,0,0|2,0,0]=4 462 B8R0.25 CCS(=O)(=O)CCCN Z2310679163 [0,2,0,0,0,0|2,0,0]=4 463 B8R0.25 COCCC(C)(O)CN Z879074216 [0,2,0,0,0,0|2,0,0]=4 464 B8R0.5 CC(C)CC(N)CCO Z223025192 [0,2,0,0,0,0|2,0,0]=4 465 B8R0.5 CC(CCN)CC(=O)O Z1442184827 [0,2,0,0,0,0|1,0,1]=4 466 B8R0.21 CC(C)(C)NCCCN Z56979399 [0,2,0,0,0,0|2,0,0]=4 467 B8R0.21 CC(C)(C)SCCCN Z4381083105 [0,2,0,0,0,0|2,0,0]=4 468 B8R0.21 CC(C)(O)CCCCO Z1725965028 [0,2,0,0,0,0|2,0,0]=4 469 B8R0.21 CC(C)(O)COCCN Z1262687778 [0,2,0,0,0,0|2,0,0]=4 470 B8R0.21 CCCCCS(=O)(=O)N Z734461490 [0,2,0,0,0,0|2,0,0]=4 471 B8R0.21 CS(=O)(=O)CCCCN Z2379802695 [0,2,0,0,0,0|2,0,0]=4 472 B8R0.21 NCCCCC(F)(F)F Z1198178580 [0,2,0,0,0,0|1,0,0]=3 473 B8R0.21 NCCCCS(=O)(=O)N Z2216303047 [0,2,0,0,0,0|1,0,0]=3 474 B8R0.21 NCCCCS(=O)(=O)O Z1262622810 [0,2,0,0,0,0|2,0,0]=4 475 B8R0.21 NCCCNS(=O)(=O)N Z3410788631 [0,2,0,0,0,0|2,0,0]=4 476 B8R0.21 NCCCOC(F)(F)F Z3071128954 [0,2,0,0,0,0|2,0,0]=4 477 B8R0.21 NCCCSC(F)(F)F Z3236100962 [0,2,0,0,0,0|2,0,0]=4 478 B8R0.21 OCCCCC(F)(F)F Z991547650 [0,2,0,0,0,0|2,0,0]=4 479 B8R0.28 CC(C)COCC(C)N Z1262398413 [0,2,0,0,0,0|2,0,0]=4 480 B8R0.28 CC(N)CCCC(=O)O Z1551469174 [0,2,0,0,0,0|1,0,1]=4 481 B8R0.22 CCCC(CN)CCO Z1269766401 [0,2,0,0,0,0|2,0,0]=4 482 B8R0.22 CCCN(CC)CCN Z409194874 [0,2,0,0,0,0|2,0,0]=4 483 B8R0.22 COCC(CCN)OC Z2491464155 [0,2,0,0,0,0|2,0,0]=4 484 B8R0.30 NCCS(=O)(=O)CCO Z4368903179 [0,2,0,0,0,0|2,0,0]=4 485 B6R1.1 C1=CCCCC1 Z104474726 [1,0,0,1,0,0|1,0,1]=4 486 B6R1.1 C1=CCNCC1 Z1623864216 [1,0,0,1,0,0|0,0,2]=4 487 B6R1.1 C1=NCCCN1 Z1198163087 [1,0,0,1,0,0|1,0,1]=4 488 B6R1.1 C1CCONC1 Z1787355355 [1,0,0,1,0,0|1,0,0]=3 489 B6R1.1 C1CNCCN1 Z1245537944 [1,0,0,1,0,0|1,0,0]=3 490 B6R1.1 C1COCCN1 Z57127568 [1,0,0,1,0,0|1,0,0]=3 491 B6R1.1 C1CSCCN1 Z352252014 [1,0,0,1,0,0|1,0,0]=3 492 B6R1.2 CC1=NCCN1 Z204020260 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.2 CC1CCCN1 Z1274177652 [1,0,0,1,0,0|0,0,0]=2 494 B6R1.2 CC1CCNC1 Z729771722 [1,0,0,1,0,0|2,0,0]=4 495 B6R1.2 FC1CCNC1 Z1139751347 [1,0,0,1,0,0|2,0,0]=4 496 B6R1.2 N=C1CCCN1 Z204007506 [1,0,0,1,0,0|0,0,2]=4 497 B6R1.2 NC1C=CCC1 Z2679312470 [1,0,0,1,0,0|0,0,2]=4 498 B6R1.2 NC1CC=CC1 Z1416200863 [1,0,0,1,0,0|0,0,2]=4 499 B6R1.2 NC1CCOC1 Z802544198 [1,0,0,1,0,0|1,0,0]=3 500 B6R1.2 NC1CCSC1 Z1267885911 [1,0,0,1,0,0|1,0,0]=3 501 B6R1.2 N[C@@H]1C=CCC1 Z1203585093 [1,0,0,1,0,0|0,0,2]=4 502 B6R1.2 O=C1CCCN1 Z104472846 [1,0,0,1,0,0|1,0,1]=4 503 B6R1.2 O=S1CCCC1 Z278052312 [1,0,0,1,0,0|2,0,0]=4 504 B6R1.2 OC1CCOC1 Z1124541349 [1,0,0,1,0,0|2,0,0]=4 505 B6R1.2 OC1CCSC1 Z335244836 [1,0,0,1,0,0|2,0,0]=4 506 B6R1.2 O[C@@H]1CCNC1 Z1263714129 [1,0,0,1,0,0|2,0,0]=4 507 B6R1.2 O[C@H]1CCNC1 Z1263714116 [1,0,0,1,0,0|2,0,0]=4 508 B6R1.3 ClCCC1CO1 Z1205657512 [1,0,0,1,0,0|2,0,0]=4 509 B6R1.3 NCCC1CC1 Z1267773823 [1,0,0,1,0,0|0,0,0]=2 510 B6R1.3 O=CCC1CC1 Z905066058 [1,0,0,1,0,0|1,0,1]=4 511 B6R1.3 OCCC1CC1 Z826525694 [1,0,0,1,0,0|1,0,0]=3 512 B6R1.4 CC1CCC1N Z2082999653 [1,0,0,1,0,0|0,0,0]=2 513 B6R1.6 CCC1CNC1 Z1203733931 [1,0,0,1,0,0|2,0,0]=4 514 B6R1.6 CNC1CCC1 Z1263820270 [1,0,0,1,0,0|2,0,0]=4 515 B6R1.6 N#CC1CCC1 Z406694072 [1,0,0,1,0,0|0,0,2]=4 516 B6R1.6 NCC1CCC1 Z381061564 [1,0,0,1,0,0|0,0,0]=2 517 B6R1.6 NCC1CNC1 Z1198274908 [1,0,0,1,0,0|1,0,0]=3 518 B6R1.6 O=CC1CCC1 Z1079442452 [1,0,0,1,0,0|1,0,1]=4 519 B6R1.8 C=C1CC1CN Z3454021936 [1,0,0,1,0,0|0,0,2]=4 520 B6R1.8 CC1CC1C#N Z1079178904 [1,0,0,1,0,0|0,0,2]=4 521 B6R1.8 CC1CC1C=O Z1079442440 [1,0,0,1,0,0|1,0,1]=4 522 B6R1.8 CC1CC1CN Z415636622 [1,0,0,1,0,0|0,0,0]=2 523 B6R1.8 CC1CC1CO Z397587430 [1,0,0,1,0,0|1,0,0]=3 524 B6R1.8 CC1OC1CCl Z1205657581 [1,0,0,1,0,0|2,0,0]=4 525 B6R1.8 C[C@H]1C[C@@H]1C=O Z1511765506 [1,0,0,1,0,0|1,0,1]=4 526 B6R1.8 C[C@H]1C[C@H]1C=O Z1511760860 [1,0,0,1,0,0|1,0,1]=4 527 B6R1.8 N[C@@H]1C[C@H]1CF Z3085640372 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.2 BrCC1CCCCO1 Z104484248 [0,1,0,1,0,0|2,0,0]=4 529 B8R1.2 C#CC1CCCCC1 Z1255457380 [0,1,0,1,0,0|2,0,0]=4 530 B8R1.2 C#CC1CCCCN1 Z2940715353 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.2 C#CC1CCCNC1 Z1741980183 [0,1,0,1,0,0|1,0,1]=4 532 B8R1.2 C#CC1COCCN1 Z2235775085 [0,1,0,1,0,0|1,0,1]=4 533 B8R1.2 C=CC1CCCCN1 Z2142036752 [0,1,0,1,0,0|1,0,0]=3 534 B8R1.2 C=CC1CCCNC1 Z2740400893 [0,1,0,1,0,0|1,0,1]=4 535 B8R1.2 CCC1CCCCN1 Z839028612 [0,1,0,1,0,0|1,0,0]=3 536 B8R1.2 CCC1CCCNC1 Z381019246 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.2 CCC1CCNCC1 Z1198394219 [0,1,0,1,0,0|2,0,0]=4 538 B8R1.2 CCC1CNCCN1 Z3234914816 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.2 CCC1CNCCO1 Z283724556 [0,1,0,1,0,0|2,0,0]=4 540 B8R1.2 CCC1CNCCS1 Z1203735378 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.2 CCC1COCCN1 Z405749950 [0,1,0,1,0,0|1,0,0]=3 542 B8R1.2 CNC1=NCCCC1 Z1744713171 [0,1,0,1,0,0|0,0,2]=4 543 B8R1.2 CNC1CCCSC1 Z1873867368 [0,1,0,1,0,0|2,0,0]=4 544 B8R1.2 CNC1CCNCC1 Z1511513954 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.2 CNC1CCOCC1 Z440603550 [0,1,0,1,0,0|2,0,0]=4 546 B8R1.2 CNC1CCSCC1 Z3234882084 [0,1,0,1,0,0|2,0,0]=4 547 B8R1.2 ClCC1CCOCO1 Z56932992 [0,1,0,1,0,0|2,0,0]=4 548 B8R1.2 ClCC1CNCCO1 Z1198749808 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.2 FCC1CCCNC1 Z2768770399 [0,1,0,1,0,0|1,0,0]=3 550 B8R1.2 FCC1CNCCO1 Z1262569974 [0,1,0,1,0,0|2,0,0]=4 551 B8R1.2 N#CC1CCCCC1 Z210803886 [0,1,0,1,0,0|1,0,1]=4 552 B8R1.2 N#CC1CCCCN1 Z205012332 [0,1,0,1,0,0|0,0,1]=3 553 B8R1.2 N#CC1CCCCS1 Z1413800329 [0,1,0,1,0,0|1,0,1]=4 554 B8R1.2 N#CC1CCCNC1 Z1198184383 [0,1,0,1,0,0|0,0,2]=4 555 B8R1.2 N#CC1CNCCN1 Z1741976055 [0,1,0,1,0,0|0,0,2]=4 556 B8R1.2 N#CC1COCCN1 Z1198234963 [0,1,0,1,0,0|0,0,2]=4 557 B8R1.2 NCC1=CCCCC1 Z2230911155 [0,1,0,1,0,0|1,0,0]=3 558 B8R1.2 NCC1=CCCOC1 Z2096659348 [0,1,0,1,0,0|1,0,1]=4 559 B8R1.2 NCC1=CCOCC1 Z2234185641 [0,1,0,1,0,0|1,0,1]=4 560 B8R1.2 NCC1=NCCCN1 Z994488026 [0,1,0,1,0,0|0,0,1]=3 561 B8R1.2 NCC1CCCCC1 Z235354645 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.2 NCC1CCCCO1 Z839575544 [0,1,0,1,0,0|1,0,0]=3 563 B8R1.2 NCC1CCCCS1 Z1318217220 [0,1,0,1,0,0|1,0,0]=3 564 B8R1.2 NCC1CCOCC1 Z440605454 [0,1,0,1,0,0|1,0,0]=3 565 B8R1.2 NCC1CCOCO1 Z1431005851 [0,1,0,1,0,0|1,0,0]=3 566 B8R1.2 NCC1COCCN1 Z2768165249 [0,1,0,1,0,0|0,0,0]=2 567 B8R1.2 NCC1CSCCN1 Z1203585142 [0,1,0,1,0,0|0,0,0]=2 568 B8R1.2 NCC1CSCCS1 Z1198167851 [0,1,0,1,0,0|1,0,0]=3 569 B8R1.2 NC[C@H]1CCCNC1 Z2686452674 [0,1,0,1,0,0|0,0,0]=2 570 B8R1.2 NOC1CCCCO1 Z968560364 [0,1,0,1,0,0|1,0,0]=3 571 B8R1.2 O=CC1CCCCC1 Z104478974 [0,1,0,1,0,0|2,0,0]=4 572 B8R1.2 O=CC1CCCCO1 Z1079442734 [0,1,0,1,0,0|2,0,0]=4 573 B8R1.2 OCC1C=CCCN1 Z4430264645 [0,1,0,1,0,0|1,0,1]=4 574 B8R1.2 OCC1CCCCC1 Z104503428 [0,1,0,1,0,0|2,0,0]=4 575 B8R1.2 OCC1CCCCN1 Z104476610 [0,1,0,1,0,0|1,0,0]=3 576 B8R1.2 OCC1CCCCO1 Z104479808 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.2 OCC1CCCNC1 Z104479614 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.2 OCC1CCCOC1 Z445213352 [0,1,0,1,0,0|2,0,0]=4 579 B8R1.2 OCC1CCNCC1 Z380864362 [0,1,0,1,0,0|2,0,0]=4 580 B8R1.2 OCC1CCOCC1 Z979753218 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.2 OCC1CCSCC1 Z1198266791 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.2 OCC1CNCCO1 Z1235945999 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.2 OCC1COCCN1 Z2513335525 [0,1,0,1,0,0|1,0,0]=3 584 B8R1.2 OCC1COCCO1 Z1020816972 [0,1,0,1,0,0|2,0,0]=4 585 B8R1.2 OCC1CSCCN1 Z1203733048 [0,1,0,1,0,0|1,0,0]=3 586 B8R1.2 OC[C@H]1CCCCN1 Z1203731003 [0,1,0,1,0,0|1,0,0]=3 587 B8R1.5 CC1CCCCC1=O Z104477192 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.5 CC1CCCCC1O Z104478402 [0,1,0,1,0,0|2,0,0]=4 589 B8R1.5 CC1CCCNC1=O Z1013766916 [0,1,0,1,0,0|1,0,1]=4 590 B8R1.5 CC1CCCNC1C Z959345762 [0,1,0,1,0,0|1,0,0]=3 591 B8R1.5 CC1CCNCC1N Z4351244628 [0,1,0,1,0,0|1,0,0]=3 592 B8R1.5 CC1CCOCC1N Z3035821495 [0,1,0,1,0,0|1,0,0]=3 593 B8R1.5 CC1CNCCC1O Z1742055068 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.5 CC1CNCCN1C Z2408371461 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.5 CC1COCCC1N Z1868316869 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.5 CC1COCCC1O Z1255390393 [0,1,0,1,0,0|2,0,0]=4 597 B8R1.5 CC1NCCCC1O Z2235409289 [0,1,0,1,0,0|1,0,0]=3 598 B8R1.5 CC1NCCNC1C Z1255428000 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.5 CC1NCCOC1C Z1187835063 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.5 CN1CCCN=C1N Z2865417319 [0,1,0,1,0,0|1,0,1]=4 601 B8R1.5 C[C@@H]1CC=CC[C@H]1N Z2935743479 [0,1,0,1,0,0|1,0,1]=4 602 B8R1.5 C[C@@H]1CCCC[C@H]1O Z1896168809 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.5 C[C@@H]1CCNC[C@@H]1O Z2307368538 [0,1,0,1,0,0|2,0,0]=4 604 B8R1.5 C[C@@H]1NCCC[C@@H]1N Z5041247026 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.5 C[C@@H]1NCCC[C@@H]1O Z2568757708 [0,1,0,1,0,0|1,0,0]=3 606 B8R1.5 C[C@@H]1NCCO[C@@H]1C Z2412195478 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.5 C[C@@H]1NCCO[C@H]1C Z4524514028 [0,1,0,1,0,0|2,0,0]=4 608 B8R1.5 C[C@H]1CCCC[C@@H]1O Z1255486326 [0,1,0,1,0,0|2,0,0]=4 609 B8R1.5 C[C@H]1CCCC[C@H]1N Z3244401660 [0,1,0,1,0,0|1,0,0]=3 610 B8R1.5 NC1CCCCC1=O Z2186882796 [0,1,0,1,0,0|1,0,0]=3 611 B8R1.5 NC1CCCCC1N Z104474510 [0,1,0,1,0,0|0,0,0]=2 612 B8R1.5 NC1CCCNC1=O Z993991168 [0,1,0,1,0,0|1,0,1]=4 613 B8R1.5 NC1CCOCC1O Z2688974552 [0,1,0,1,0,0|1,0,0]=3 614 B8R1.5 NN1CCCCC1=O Z976663668 [0,1,0,1,0,0|1,0,1]=4 615 B8R1.5 N[C@@H]1CCCC[C@@H]1F Z2724313717 [0,1,0,1,0,0|1,0,0]=3 616 B8R1.5 N[C@@H]1CCCC[C@@H]1O Z2235399143 [0,1,0,1,0,0|1,0,0]=3 617 B8R1.5 N[C@@H]1COCC[C@H]1N Z4745609917 [0,1,0,1,0,0|0,0,0]=2 618 B8R1.5 N[C@@H]1COCC[C@H]1O Z2309916421 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.5 N[C@H]1CCCC[C@@H]1N Z1147137780 [0,1,0,1,0,0|0,0,0]=2 620 B8R1.5 N[C@H]1CCCC[C@H]1N Z1203577984 [0,1,0,1,0,0|0,0,0]=2 621 B8R1.5 O=C1CCCCC1Cl Z94598693 [0,1,0,1,0,0|2,0,0]=4 622 B8R1.5 O=C1NCCCC1F Z1203749514 [0,1,0,1,0,0|1,0,1]=4 623 B8R1.5 OC1CCCCC1O Z600453486 [0,1,0,1,0,0|2,0,0]=4 624 B8R1.5 OC1CCNCC1F Z1416168950 [0,1,0,1,0,0|2,0,0]=4 625 B8R1.5 OC1NCCCC1F Z3995268169 [0,1,0,1,0,0|1,0,0]=3 626 B8R1.5 O[C@@H]1CCCC[C@H]1O Z2240998867 [0,1,0,1,0,0|2,0,0]=4 627 B8R1.5 O[C@@H]1CNCC[C@H]1F Z2307343627 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.8 CCCC1CCNC1 Z940902738 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.8 CCCC1NCCS1 Z2144245754 [0,1,0,1,0,0|1,0,0]=3 630 B8R1.8 CCCN1CCCC1 Z4634999686 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.8 CCNC1CCCC1 Z90513159 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.8 CNCC1CCCC1 Z1162448850 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.8 CNCC1CCCO1 Z137696198 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.8 CNCC1CCOC1 Z239629088 [0,1,0,1,0,0|2,0,0]=4 635 B8R1.8 COCC1CCCN1 Z1342208414 [0,1,0,1,0,0|1,0,0]=3 636 B8R1.8 CSCC1CCCN1 Z839514412 [0,1,0,1,0,0|1,0,0]=3 637 B8R1.8 CSCC1CCNC1 Z1250132642 [0,1,0,1,0,0|2,0,0]=4 638 B8R1.8 ClCCN1CCCC1 Z104489566 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.8 N#CCC1CCCC1 Z804898574 [0,1,0,1,0,0|1,0,1]=4 640 B8R1.8 N#CCC1CCCO1 Z94601183 [0,1,0,1,0,0|1,0,1]=4 641 B8R1.8 N#CCC1CCNC1 Z2509351232 [0,1,0,1,0,0|0,0,2]=4 642 B8R1.8 NCCC1CC=CC1 Z2310699161 [0,1,0,1,0,0|1,0,1]=4 643 B8R1.8 NCCC1CCCC1 Z398556750 [0,1,0,1,0,0|1,0,0]=3 644 B8R1.8 NCCC1CCCO1 Z1245635808 [0,1,0,1,0,0|1,0,0]=3 645 B8R1.8 NCCC1CCCS1 Z2681242377 [0,1,0,1,0,0|1,0,0]=3 646 B8R1.8 NCCN1CCCC1 Z812516900 [0,1,0,1,0,0|1,0,0]=3 647 B8R1.8 O=CCC1CCCC1 Z993017732 [0,1,0,1,0,0|2,0,0]=4 648 B8R1.8 O=CCC1CCCO1 Z1183458964 [0,1,0,1,0,0|2,0,0]=4 649 B8R1.8 OCCC1CCCC1 Z397587408 [0,1,0,1,0,0|2,0,0]=4 650 B8R1.8 OCCC1CCCN1 Z1198148537 [0,1,0,1,0,0|1,0,0]=3 651 B8R1.8 OCCC1CCCO1 Z1183459210 [0,1,0,1,0,0|2,0,0]=4 652 B8R1.8 OCCC1CCNC1 Z1198184196 [0,1,0,1,0,0|1,0,0]=3 653 B8R1.8 OCCC1CCOC1 Z1138844344 [0,1,0,1,0,0|2,0,0]=4 654 B8R1.8 OCCN1CCCC1 Z104477730 [0,1,0,1,0,0|2,0,0]=4 655 B8R1.9 C[C@@H]1C[C@@H]1CCC=O Z4130582680 [0,1,0,1,0,0|2,0,0]=4 656 B8R1.9 C[C@@H]1C[C@H]1CCCN Z4081421787 [0,1,0,1,0,0|1,0,0]=3 657 B8R1.10 CCNCC1CCC1 Z1947443776 [0,1,0,1,0,0|2,0,0]=4 658 B8R1.10 NCCCC1CCC1 Z2522552643 [0,1,0,1,0,0|1,0,0]=3 659 B8R1.10 NCCOC1CCC1 Z959310784 [0,1,0,1,0,0|1,0,0]=3 660 B8R1.10 O=CCCC1CCC1 Z1717769279 [0,1,0,1,0,0|2,0,0]=4 661 B8R1.10 O=CCCC1CCO1 Z2327124310 [0,1,0,1,0,0|2,0,0]=4 662 B8R1.10 OCCOC1CCC1 Z959313250 [0,1,0,1,0,0|2,0,0]=4 663 B8R1.11 C#CC1CCCN1C Z3668963393 [0,1,0,1,0,0|1,0,1]=4 664 B8R1.11 C=C[C@@H]1CCC[C@H]1O Z3015056914 [0,1,0,1,0,0|2,0,0]=4 665 B8R1.11 CC1CCCC1C#N Z1258611152 [0,1,0,1,0,0|1,0,1]=4 666 B8R1.11 CC1CCCC1C=O Z1268606470 [0,1,0,1,0,0|2,0,0]=4 667 B8R1.11 CC1CCNC1CO Z1203831515 [0,1,0,1,0,0|1,0,0]=3 668 B8R1.11 CC1NCCC1CO Z1255464335 [0,1,0,1,0,0|2,0,0]=4 669 B8R1.11 CCC1CCCC1=O Z813018310 [0,1,0,1,0,0|2,0,0]=4 670 B8R1.11 CCC1CCCC1N Z813018518 [0,1,0,1,0,0|1,0,0]=3 671 B8R1.11 CCC1CCNC1C Z1723849126 [0,1,0,1,0,0|2,0,0]=4 672 B8R1.11 CCC1CNCC1O Z1509030677 [0,1,0,1,0,0|2,0,0]=4 673 B8R1.11 CCC1NCCC1C Z1723849174 [0,1,0,1,0,0|1,0,0]=3 674 B8R1.11 CN1CCCC1CN Z326202522 [0,1,0,1,0,0|0,0,0]=2 675 B8R1.11 COC1CCCC1O Z854223428 [0,1,0,1,0,0|2,0,0]=4 676 B8R1.11 CO[C@@H]1CCC[C@@H]1N Z3847443224 [0,1,0,1,0,0|1,0,0]=3 677 B8R1.11 CO[C@@H]1CCC[C@H]1N Z2235777878 [0,1,0,1,0,0|1,0,0]=3 678 B8R1.11 CO[C@@H]1CCC[C@H]1O Z2286637815 [0,1,0,1,0,0|2,0,0]=4 679 B8R1.11 CO[C@H]1CCC[C@@H]1N Z905269870 [0,1,0,1,0,0|1,0,0]=3 680 B8R1.11 CO[C@H]1CCC[C@@H]1O Z1162417007 [0,1,0,1,0,0|2,0,0]=4 681 B8R1.11 CSC1CCCC1N Z1203642543 [0,1,0,1,0,0|1,0,0]=3 682 B8R1.11 C[C@@H]1CNC[C@H]1CO Z1955350046 [0,1,0,1,0,0|2,0,0]=4 683 B8R1.11 N#CC1CCCC1N Z985148518 [0,1,0,1,0,0|0,0,1]=3 684 B8R1.11 N#CC1CCCC1O Z409438998 [0,1,0,1,0,0|1,0,1]=4 685 B8R1.11 NCC1CCCC1N Z951173802 [0,1,0,1,0,0|0,0,0]=2 686 B8R1.11 NCC1CCCC1O Z409444212 [0,1,0,1,0,0|1,0,0]=3 687 B8R1.11 NC[C@@H]1COC[C@@H]1O Z2828229275 [0,1,0,1,0,0|1,0,0]=3 688 B8R1.11 NN[C@@H]1CCC[C@H]1O Z2350387396 [0,1,0,1,0,0|1,0,0]=3 689 B8R1.11 N[C@@H]1COC[C@@H]1CO Z2568674574 [0,1,0,1,0,0|1,0,0]=3 690 B8R1.11 N[C@H]1CCC[C@H]1CO Z1198220662 [0,1,0,1,0,0|1,0,0]=3 691 B8R1.11 OC[C@@H]1CNC[C@H]1F Z3069557183 [0,1,0,1,0,0|2,0,0]=4 692 B8R1.12 CNC1CCC1OC Z2868220149 [0,1,0,1,0,0|2,0,0]=4 693 B8R1.12 CN[C@@H]1CC[C@H]1OC Z4997554839 [0,1,0,1,0,0|2,0,0]=4 694 B8R1.12 CO[C@@H]1CC[C@H]1CN Z4643457562 [0,1,0,1,0,0|1,0,0]=3 695 B8R1.17 CCC[C@@H]1C[C@H]1CN Z3247491743 [0,1,0,1,0,0|1,0,0]=3 696 B8R1.22 CC1CCCCNC1 Z1723849152 [0,1,0,1,0,0|1,0,0]=3 697 B8R1.22 CC1CCCNCC1 Z425362298 [0,1,0,1,0,0|1,0,0]=3 698 B8R1.22 CC1CCNCCN1 Z3006266627 [0,1,0,1,0,0|1,0,0]=3 699 B8R1.22 CC1CCNCCO1 Z2855997854 [0,1,0,1,0,0|2,0,0]=4 700 B8R1.22 CC1CCNCCS1 Z1270499064 [0,1,0,1,0,0|2,0,0]=4 701 B8R1.22 CC1CCOCCN1 Z2940715295 [0,1,0,1,0,0|1,0,0]=3 702 B8R1.22 CC1CCSCCN1 Z1839475384 [0,1,0,1,0,0|1,0,0]=3 703 B8R1.22 CC1CNCCCN1 Z1203732447 [0,1,0,1,0,0|1,0,0]=3 704 B8R1.22 CC1CNCCCO1 Z425722880 [0,1,0,1,0,0|2,0,0]=4 705 B8R1.22 CC1CNCCOC1 Z1216819166 [0,1,0,1,0,0|2,0,0]=4 706 B8R1.22 CC1CNCCSC1 Z1270496770 [0,1,0,1,0,0|2,0,0]=4 707 B8R1.22 CC1COCCCN1 Z1216819161 [0,1,0,1,0,0|1,0,0]=3 708 B8R1.22 CC1CSCCCN1 Z2895198847 [0,1,0,1,0,0|1,0,0]=3 709 B8R1.22 CN1CCCNCC1 Z104479254 [0,1,0,1,0,0|2,0,0]=4 710 B8R1.22 FC1CCCNCC1 Z1255416656 [0,1,0,1,0,0|1,0,0]=3 711 B8R1.22 FC1CNCCOC1 Z4924614783 [0,1,0,1,0,0|2,0,0]=4 712 B8R1.22 NC1CCC=CCC1 Z2824346881 [0,1,0,1,0,0|1,0,1]=4 713 B8R1.22 NC1CCCCCC1 Z104477488 [0,1,0,1,0,0|1,0,0]=3 714 B8R1.22 NC1CCCSCC1 Z3102941972 [0,1,0,1,0,0|1,0,0]=3 715 B8R1.22 NC1COCCOC1 Z1463350443 [0,1,0,1,0,0|2,0,0]=4 716 B8R1.22 NC1CSCCSC1 Z4628238517 [0,1,0,1,0,0|2,0,0]=4 717 B8R1.22 O=C1CCCCCC1 Z104473100 [0,1,0,1,0,0|2,0,0]=4 718 B8R1.22 O=C1CCNCCN1 Z119989554 [0,1,0,1,0,0|1,0,1]=4 719 B8R1.22 O=C1CCOCCN1 Z821098578 [0,1,0,1,0,0|1,0,1]=4 720 B8R1.22 O=C1CCSCCN1 Z1198315286 [0,1,0,1,0,0|1,0,1]=4 721 B8R1.22 O=C1CNCCCN1 Z2756332573 [0,1,0,1,0,0|1,0,1]=4 722 B8R1.22 O=C1COCCCN1 Z1203733065 [0,1,0,1,0,0|1,0,1]=4 723 B8R1.22 OC1CCCNCC1 Z1198309797 [0,1,0,1,0,0|1,0,0]=3 724 B8R1.22 OC1CNCCOC1 Z2234631219 [0,1,0,1,0,0|2,0,0]=4 725 B8R1.36 BrCCOCC1CO1 Z3038215664 [0,1,0,1,0,0|2,0,0]=4 726 B8R1.36 CCCCNC1CC1 Z361993970 [0,1,0,1,0,0|2,0,0]=4 727 B8R1.36 CCNCCC1CC1 Z826524836 [0,1,0,1,0,0|2,0,0]=4 728 B8R1.36 CCOCCC1CO1 Z1495386137 [0,1,0,1,0,0|2,0,0]=4 729 B8R1.36 NCCCOC1CC1 Z5593566245 [0,1,0,1,0,0|1,0,0]=3 730 B8R1.36 NCCNCC1CC1 Z2941505334 [0,1,0,1,0,0|1,0,0]=3 731 B8R1.36 NCCOCC1CC1 Z1266854848 [0,1,0,1,0,0|1,0,0]=3 732 B8R1.36 NCCSCC1CC1 Z431958616 [0,1,0,1,0,0|1,0,0]=3 733 B8R1.36 O=CCCCC1CC1 Z1511869605 [0,1,0,1,0,0|2,0,0]=4 734 B8R1.36 OCCCNC1CC1 Z138414456 [0,1,0,1,0,0|2,0,0]=4 735 B8R1.36 OCCNCC1CC1 Z335251956 [0,1,0,1,0,0|2,0,0]=4 736 B8R1.36 OCCOCC1CC1 Z854231442 [0,1,0,1,0,0|2,0,0]=4 737 B8R1.36 OCCOCC1CO1 Z332379868 [0,1,0,1,0,0|2,0,0]=4 738 B8R1.49 C1CCCNCCC1 Z104480232 [0,1,0,1,0,0|1,0,0]=3 739 B8R1.1 C#CC1CCC(C1)N Z3215421078 [0,1,0,1,0,0|1,0,1]=4 740 B8R1.1 C#C[C@H]1CC[C@H](C1)N Z4607393601 [0,1,0,1,0,0|1,0,1]=4 741 B8R1.1 CC1CCC(O1)CN Z1438307598 [0,1,0,1,0,0|1,0,0]=3 742 B8R1.1 CCC1CC(CN1)C Z1203749385 [0,1,0,1,0,0|1,0,0]=3 743 B8R1.1 CCC1CCC(=O)N1 Z1203731077 [0,1,0,1,0,0|1,0,1]=4 744 B8R1.1 CCC1CCC(N1)C Z1582263727 [0,1,0,1,0,0|1,0,0]=3 745 B8R1.1 CCN1CCC(C1)N Z415647776 [0,1,0,1,0,0|2,0,0]=4 746 B8R1.1 CN1CCC(C1)CN Z317026942 [0,1,0,1,0,0|2,0,0]=4 747 B8R1.1 CO[C@@H]1CC[C@H](C1)N Z3282728045 [0,1,0,1,0,0|2,0,0]=4 748 B8R1.1 CSC1CCC(C1)N Z1245790495 [0,1,0,1,0,0|2,0,0]=4 749 B8R1.1 N#C[C@H]1CC[C@H](C1)N Z2375429659 [0,1,0,1,0,0|0,0,2]=4 750 B8R1.1 NCC1CCC(=O)N1 Z1171481666 [0,1,0,1,0,0|0,0,1]=3 751 B8R1.1 NCC1CCC(=O)O1 Z1262632907 [0,1,0,1,0,0|1,0,1]=4 752 B8R1.1 NCC1CCC(C1)F Z3074473433 [0,1,0,1,0,0|1,0,0]=3 753 B8R1.1 NCC1COC(=O)N1 Z2130644119 [0,1,0,1,0,0|1,0,1]=4 754 B8R1.1 O=C1CCC(N1)CO Z235344363 [0,1,0,1,0,0|1,0,1]=4 755 B8R1.1 O=C1CC[C@H](N1)CO Z235344345 [0,1,0,1,0,0|1,0,1]=4 756 B8R1.1 OCC1CC(CN1)F Z1753033006 [0,1,0,1,0,0|1,0,0]=3 757 B8R1.3 CC1CCC(=O)NC1 Z969194082 [0,1,0,1,0,0|1,0,1]=4 758 B8R1.3 CC1CCC(CC1)O Z104476106 [0,1,0,1,0,0|2,0,0]=4 759 B8R1.3 CC1CCC(CN1)N Z3544167688 [0,1,0,1,0,0|1,0,0]=3 760 B8R1.3 CC1CCC(CN1)O Z2350906968 [0,1,0,1,0,0|1,0,0]=3 761 B8R1.3 CC1CCC(CO1)O Z1898581838 [0,1,0,1,0,0|2,0,0]=4 762 B8R1.3 CC1CN=C(NC1)N Z1203586632 [0,1,0,1,0,0|1,0,1]=4 763 B8R1.3 CC1CNC(CN1)C Z1255523274 [0,1,0,1,0,0|2,0,0]=4 764 B8R1.3 CC1COC(CN1)C Z327218388 [0,1,0,1,0,0|2,0,0]=4 765 B8R1.3 CN1CCC(CC1)N Z89283296 [0,1,0,1,0,0|2,0,0]=4 766 B8R1.3 C[C@@H]1CC[C@@H](CN1)O Z2309899176 [0,1,0,1,0,0|1,0,0]=3 767 B8R1.3 C[C@@H]1CC[C@H](CN1)O Z2327179252 [0,1,0,1,0,0|1,0,0]=3 768 B8R1.3 C[C@H]1CC[C@@H](CC1)N Z1150306734 [0,1,0,1,0,0|1,0,0]=3 769 B8R1.3 NC1CCC(=O)CC1 Z1198169628 [0,1,0,1,0,0|1,0,1]=4 770 B8R1.3 NC1CCC(=O)NC1 Z992717028 [0,1,0,1,0,0|1,0,1]=4 771 B8R1.3 NC1CCC(CC1)N Z104477550 [0,1,0,1,0,0|1,0,0]=3 772 B8R1.3 OC1CCC(CC1)O Z1178486717 [0,1,0,1,0,0|2,0,0]=4 773 B8R1.38 CC(CN)C1CCC1 Z4670691728 [0,1,0,1,0,0|1,0,0]=3 774 B8R1.38 CC(CO)C1CCC1 Z1717769985 [0,1,0,1,0,0|2,0,0]=4 775 B8R1.38 CCC(N)C1CCC1 Z2941715980 [0,1,0,1,0,0|2,0,0]=4 776 B8R1.38 CCC(O)C1CCC1 Z1255407680 [0,1,0,1,0,0|2,0,0]=4 777 B8R1.38 NCC(=O)C1CCC1 Z2568737813 [0,1,0,1,0,0|1,0,1]=4 778 B8R1.38 NCC(N)C1CCC1 Z1925930579 [0,1,0,1,0,0|1,0,0]=3 779 B8R1.38 NCC(O)C1CCC1 Z2238624890 [0,1,0,1,0,0|1,0,0]=3 780 B8R1.40 NC(CO)CC1CC1 Z1198179456 [0,1,0,1,0,0|2,0,0]=4 781 B8R1.40 NCC(O)CC1CC1 Z2310701824 [0,1,0,1,0,0|1,0,0]=3 782 B8R1.41 CCCCC1(CC1)N Z2888996734 [0,1,0,1,0,0|2,0,0]=4 783 B8R1.47 CCC1CC(C1)CN Z4165836124 [0,1,0,1,0,0|1,0,0]=3 784 B8R1.47 CO[C@H]1C[C@@H](C1)CN Z2787245739 [0,1,0,1,0,0|2,0,0]=4 785 B8R1.47 CSC1CC(C1)CN Z4387307771 [0,1,0,1,0,0|2,0,0]=4 786 B8R1.47 CS[C@H]1C[C@@H](C1)CN Z4282599613 [0,1,0,1,0,0|2,0,0]=4 787 B8R1.47 CS[C@H]1C[C@H](C1)CN Z4433645218 [0,1,0,1,0,0|2,0,0]=4 788 B8R1.50 CC1CCC(C1N)C Z1357774290 [0,1,0,1,0,0|1,0,0]=3 789 B8R1.52 CC1(CCCC1)CN Z56757289 [0,1,0,1,0,0|1,0,0]=3 790 B8R1.52 CC1(CCCC1)CO Z1255466752 [0,1,0,1,0,0|2,0,0]=4 791 B8R1.52 CC1(CCCO1)CN Z1198218662 [0,1,0,1,0,0|1,0,0]=3 792 B8R1.52 CC1(CCCO1)CO Z1389059207 [0,1,0,1,0,0|2,0,0]=4 793 B8R1.52 CC1(CCCS1)CN Z1268152236 [0,1,0,1,0,0|1,0,0]=3 794 B8R1.52 CC1(CCNC1)CN Z1993522731 [0,1,0,1,0,0|2,0,0]=4 795 B8R1.52 CC1(CCOC1)CN Z995185734 [0,1,0,1,0,0|2,0,0]=4 796 B8R1.52 CC1(OCCO1)CN Z1198278649 [0,1,0,1,0,0|2,0,0]=4 797 B8R1.52 CCC1(CCCC1)N Z2235330317 [0,1,0,1,0,0|2,0,0]=4 798 B8R1.52 NC1(CCCC1)CO Z734150968 [0,1,0,1,0,0|2,0,0]=4 799 B8R1.52 NCC1(CCCC1)Cl Z1262684076 [0,1,0,1,0,0|1,0,0]=3 800 B8R1.52 NCC1(CCCC1)N Z1198107484 [0,1,0,1,0,0|1,0,0]=3 801 B8R1.52 NCC1(CCCC1)O Z330827814 [0,1,0,1,0,0|1,0,0]=3 802 B8R1.52 NCC1(CCOC1)F Z2830496127 [0,1,0,1,0,0|2,0,0]=4 803 B8R1.52 NCC1(CCOC1)O Z1124555593 [0,1,0,1,0,0|2,0,0]=4 804 B8R1.52 NCC1(CCSC1)O Z1333761731 [0,1,0,1,0,0|2,0,0]=4 805 B8R1.52 OCC1(CCCC1)O Z1258947137 [0,1,0,1,0,0|2,0,0]=4 806 B8R1.4 CC1=CC(CCC1)N Z3895215954 [0,1,0,1,0,0|1,0,1]=4 807 B8R1.4 CC1CC(=O)CCN1 Z2900188073 [0,1,0,1,0,0|1,0,1]=4 808 B8R1.4 CC1CC(CCN1)N Z3950506166 [0,1,0,1,0,0|1,0,0]=3 809 B8R1.4 CC1CCCC(=O)N1 Z1198150789 [0,1,0,1,0,0|1,0,1]=4 810 B8R1.4 CC1CCCC(C1)N Z367450918 [0,1,0,1,0,0|1,0,0]=3 811 B8R1.4 CC1CCCC(N1)C Z104474330 [0,1,0,1,0,0|1,0,0]=3 812 B8R1.4 CC1CCN=C(N1)N Z3512513301 [0,1,0,1,0,0|1,0,1]=4 813 B8R1.4 CC1CCNC(=O)C1 Z1203731366 [0,1,0,1,0,0|1,0,1]=4 814 B8R1.4 CC1CN(CCN1)C Z1162470821 [0,1,0,1,0,0|2,0,0]=4 815 B8R1.4 CC1CNCC(N1)C Z916970166 [0,1,0,1,0,0|2,0,0]=4 816 B8R1.4 CC1COCC(N1)C Z1255523283 [0,1,0,1,0,0|2,0,0]=4 817 B8R1.4 CC1CS(=O)CCN1 Z1227754708 [0,1,0,1,0,0|2,0,0]=4 818 B8R1.4 CN1CCCC(C1)N Z600584196 [0,1,0,1,0,0|2,0,0]=4 819 B8R1.4 C[C@@H]1CCC[C@H](N1)C Z1925930354 [0,1,0,1,0,0|1,0,0]=3 820 B8R1.4 C[C@@H]1CCN[C@@H](C1)C Z2309899803 [0,1,0,1,0,0|1,0,0]=3 821 B8R1.4 C[C@@H]1CN(CCN1)C Z3379438692 [0,1,0,1,0,0|2,0,0]=4 822 B8R1.4 C[C@@H]1C[C@@H](CCN1)O Z2568671386 [0,1,0,1,0,0|1,0,0]=3 823 B8R1.4 C[C@@H]1C[C@H](CCO1)N Z4121905902 [0,1,0,1,0,0|2,0,0]=4 824 B8R1.4 C[C@H]1CCC[C@H](N1)C Z1203730759 [0,1,0,1,0,0|1,0,0]=3 825 B8R1.4 C[C@H]1CNC[C@H](N1)C Z1203730758 [0,1,0,1,0,0|2,0,0]=4 826 B8R1.4 NC1CCCC(C1)O Z2724335128 [0,1,0,1,0,0|1,0,0]=3 827 B8R1.4 NC1CNCC(C1)O Z4465943159 [0,1,0,1,0,0|2,0,0]=4 828 B8R1.4 N[C@@H]1CNC[C@@H](C1)N Z3175310488 [0,1,0,1,0,0|1,0,0]=3 829 B8R1.4 N[C@H]1CCC[C@H](C1)O Z1203578804 [0,1,0,1,0,0|1,0,0]=3 830 B8R1.4 O=C1CC(CCN1)O Z1198221829 [0,1,0,1,0,0|1,0,1]=4 831 B8R1.6 CC1CC(C1)CCN Z4810246631 [0,1,0,1,0,0|1,0,0]=3 832 B8R1.6 CCCC1CC(=O)N1 Z1198168176 [0,1,0,1,0,0|1,0,1]=4 833 B8R1.6 CN1CC(C1)CCN Z2943477997 [0,1,0,1,0,0|2,0,0]=4 834 B8R1.6 CSCC1CC(C1)N Z3679305264 [0,1,0,1,0,0|2,0,0]=4 835 B8R1.6 N#CCC1CC(C1)N Z3766273422 [0,1,0,1,0,0|0,0,2]=4 836 B8R1.6 NCCC1CC(=O)C1 Z2681245722 [0,1,0,1,0,0|1,0,1]=4 837 B8R1.6 NCCC1CC(C1)O Z1868316842 [0,1,0,1,0,0|1,0,0]=3 838 B8R1.6 NCC[C@H]1C[C@H](C1)O Z2310717957 [0,1,0,1,0,0|1,0,0]=3 839 B8R1.7 CC(N)C1=NCCN1 Z2754060679 [0,1,0,1,0,0|1,0,1]=4 840 B8R1.7 CC(N)C1CCCC1 Z513797688 [0,1,0,1,0,0|1,0,0]=3 841 B8R1.7 CC(N)C1CCCN1 Z742893600 [0,1,0,1,0,0|0,0,0]=2 842 B8R1.7 CC(N)C1CCCO1 Z318730550 [0,1,0,1,0,0|1,0,0]=3 843 B8R1.7 CC(N)C1CCOC1 Z1982494014 [0,1,0,1,0,0|2,0,0]=4 844 B8R1.7 CC(O)[C@@H]1CCCN1 Z1203825201 [0,1,0,1,0,0|1,0,0]=3 845 B8R1.7 FC(F)[C@@H]1CCCN1 Z1692482620 [0,1,0,1,0,0|1,0,0]=3 846 B8R1.7 N=C(N)C1CCCC1 Z1266823290 [0,1,0,1,0,0|1,0,1]=4 847 B8R1.7 N=C(N)C1CCCO1 Z1582263149 [0,1,0,1,0,0|1,0,1]=4 848 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,1,0,1,0,0|1,0,1]=4 849 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,1,0,1,0,0|0,0,1]=3 850 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,1,0,1,0,0|1,0,1]=4 851 B8R1.7 NC(=O)C1CSCN1 Z316101160 [0,1,0,1,0,0|1,0,1]=4 852 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,1,0,1,0,0|1,0,1]=4 853 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,1,0,1,0,0|1,0,1]=4 854 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,1,0,1,0,0|1,0,1]=4 855 B8R1.19 CC1CCCC1(C)N Z1509036056 [0,1,0,1,0,0|1,0,0]=3 856 B8R1.19 C[C@]1(CCC[C@H]1O)O Z3037315217 [0,1,0,1,0,0|2,0,0]=4 857 B8R1.19 NC1COCC1(F)F Z4184667162 [0,1,0,1,0,0|2,0,0]=4 858 B8R1.20 CC(C)C[C@@H]1C[C@H]1N Z2286708089 [0,1,0,1,0,0|1,0,0]=3 859 B8R1.27 NCCC1CC1(Br)Br Z4924558261 [0,1,0,1,0,0|1,0,0]=3 860 B8R1.27 NCCC1CC1(Cl)Cl Z2592744050 [0,1,0,1,0,0|1,0,0]=3 861 B8R1.27 NCCC1CC1(F)F Z2310670931 [0,1,0,1,0,0|1,0,0]=3 862 B8R1.31 CN(C)[C@@H]1CC[C@H]1N Z2568757699 [0,1,0,1,0,0|2,0,0]=4 863 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O Z2471604870 [0,1,0,1,0,0|1,0,1]=4 864 B8R1.34 CC(N)CC1CCC1 Z2724375312 [0,1,0,1,0,0|1,0,0]=3 865 B8R1.34 N=C(N)CC1CCC1 Z1642389696 [0,1,0,1,0,0|1,0,1]=4 866 B8R1.35 CC(C)CCC1CO1 Z1495386123 [0,1,0,1,0,0|2,0,0]=4 867 B8R1.43 CC(C)[C@@H]1C[C@H]1CN Z2235814456 [0,1,0,1,0,0|1,0,0]=3 868 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O Z3718352401 [0,1,0,1,0,0|1,0,1]=4 869 B8R1.43 NC[C@@H]1C[C@H]1C(F)F Z3481839763 [0,1,0,1,0,0|1,0,0]=3 870 B8R1.72 CC1(CCCCC1)N Z752370810 [0,1,0,1,0,0|1,0,0]=3 871 B8R1.72 CC1(CCCCC1)O Z449370586 [0,1,0,1,0,0|2,0,0]=4 872 B8R1.72 CC1(CCCCN1)C Z3243651326 [0,1,0,1,0,0|1,0,0]=3 873 B8R1.72 CC1(CCCOC1)N Z1582263087 [0,1,0,1,0,0|2,0,0]=4 874 B8R1.72 CC1(CSCCN1)C Z1203747824 [0,1,0,1,0,0|2,0,0]=4 875 B8R1.72 O=S1(=O)CCCCN1 Z1201622708 [0,1,0,1,0,0|2,0,0]=4 876 B8R1.16 CO[C@@H]1C(C[C@H]1O)N Z4766028345 [0,1,0,1,0,0|2,0,0]=4 877 B8R1.18 CC1CC(C(O1)C)N Z2719326610 [0,1,0,1,0,0|2,0,0]=4 878 B8R1.18 NC1C[C@@H]([C@@H](C1)O)O Z2830494512 [0,1,0,1,0,0|2,0,0]=4 879 B8R1.18 N[C@@H]1C[C@@H](C[C@H]1O)O Z3576076783 [0,1,0,1,0,0|1,0,0]=3 880 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)N)N Z4512888469 [0,1,0,1,0,0|0,0,0]=2 881 B8R1.18 N[C@H]1C[C@@H]([C@@H](C1)O)O Z1262685736 [0,1,0,1,0,0|2,0,0]=4 882 B8R1.37 NC(CCO)C1CC1 Z1255523331 [0,1,0,1,0,0|2,0,0]=4 883 B8R1.66 CC1(CCC1)CCN Z1203642381 [0,1,0,1,0,0|1,0,0]=3 884 B8R1.66 NC1(CCC1)CCO Z1335657821 [0,1,0,1,0,0|2,0,0]=4 885 B8R1.66 NCCC1(CNC1)O Z1953526125 [0,1,0,1,0,0|2,0,0]=4 886 B8R2.11 NC1[C@@H]2[C@H]1CCC2 Z1891701563 [0,0,0,2,0,0|1,0,0]=3 887 B8R2.22 C1CC2CNC2C1 Z372839324 [0,0,0,2,0,0|1,0,0]=3 888 B8R2.22 C1C[C@@H]2CC[C@@H]2N1 Z2568680274 [0,0,0,2,0,0|1,0,0]=3 889 B8R2.22 C1C[C@@H]2[C@H]1CNC2 Z2310727771 [0,0,0,2,0,0|1,0,0]=3 890 B8R2.34 C1=CC2CC1CN2 Z2677505952 [0,0,0,2,0,0|1,0,1]=4 891 B8R2.34 C1CC2CC1CN2 Z744843462 [0,0,0,2,0,0|1,0,0]=3 892 B8R2.34 C1CC2CCC1N2 Z235340117 [0,0,0,2,0,0|1,0,0]=3 893 B8R2.34 C1NC2CNC1C2 Z2466331627 [0,0,0,2,0,0|0,0,0]=2 894 B8R2.34 C1O[C@@H]2CN[C@H]1C2 Z1198157093 [0,0,0,2,0,0|1,0,0]=3 895 B8R2.55 C1CCC2(C1)CO2 Z1020680028 [0,0,0,2,0,0|2,0,0]=4 896 B8R2.55 C1CNC2(C1)CC2 Z3243649141 [0,0,0,2,0,0|1,0,0]=3 897 B8R2.2 C[C@]12CCC[C@H]1O2 Z4597543898 [0,0,0,2,0,0|2,0,0]=4 898 B8R2.2 NC12CSCC1C2 Z5976232934 [0,0,0,2,0,0|2,0,0]=4 899 B8R2.2 N[C@@]12CCC[C@@H]1C2 Z2896162962 [0,0,0,2,0,0|1,0,0]=3 900 B8R2.2 N[C@@]12COC[C@@H]1C2 Z2755982948 [0,0,0,2,0,0|2,0,0]=4 901 B8R2.5 NC1CC2C1CC2 Z4081406539 [0,0,0,2,0,0|1,0,0]=3 902 B8R2.5 O=C1N[C@H]2[C@@H]1CC2 Z3977166567 [0,0,0,2,0,0|1,0,1]=4 903 B8R2.25 C1CC2CC2CN1 Z2568751757 [0,0,0,2,0,0|1,0,0]=3 904 B8R2.25 C1CCC2OC2C1 Z239871664 [0,0,0,2,0,0|2,0,0]=4 905 B8R2.25 C1CNC2CC2C1 Z2429425564 [0,0,0,2,0,0|1,0,0]=3 906 B8R2.25 C1COC2CC2N1 Z2238336531 [0,0,0,2,0,0|2,0,0]=4 907 B8R2.38 N[C@@H]1CC[C@H]2[C@@H]1C2 Z5104202649 [0,0,0,2,0,0|1,0,0]=3 908 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 Z2871939424 [0,0,0,2,0,0|1,0,1]=4 909 B8R2.26 N[C@@H]1C[C@H]1C2CC2 Z2298098021 [0,0,0,2,0,0|1,0,0]=3 910 B8R2.45 NC1CC12CCC2 Z2944330172 [0,0,0,2,0,0|1,0,0]=3 911 B8R2.1 C1CC(C1)C2CO2 Z1407119362 [0,0,0,2,0,0|2,0,0]=4 912 B8R2.42 C1CC2(C1)CCN2 Z1258976716 [0,0,0,2,0,0|1,0,0]=3 913 B8R2.19 NC1CCC12CC2 Z3153432543 [0,0,0,2,0,0|1,0,0]=3 914 B8R2.24 C1CC1C[C@@H]2CO2 Z3271410540 [0,0,0,2,0,0|2,0,0]=4