0 B7R0.1 C#CCCCCCI CS-0643044 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.1 C#CCCCCCN CS-0104826 [0,0,0,0,0,0|2,0,2]=4 2 B7R0.1 C#CCNCCOC CS-0309134 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.1 C#CCOCCOC CS-0649354 [0,0,0,0,0,0|2,0,1]=3 4 B7R0.1 C=CCSSCCC CS-W013303 [0,0,0,0,0,0|2,1,1]=4 5 B7R0.1 CCCC#CCCO CS-0143649 [0,0,0,0,0,0|1,0,1]=2 6 B7R0.1 CCCCC#CCO CS-0040175 [0,0,0,0,0,0|1,0,1]=2 7 B7R0.1 CCCCCCCF CS-0699236 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCCCNCCN CS-0204694 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.1 CCCCOCCBr CS-0702257 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 CCCCOCCCl CS-0188002 [0,0,0,0,0,0|1,0,0]=1 11 B7R0.1 CCCCSCCO CS-0313179 [0,0,0,0,0,0|0,1,0]=1 12 B7R0.1 CCCNCCC#N CS-0247666 [0,0,0,0,0,0|3,0,1]=4 13 B7R0.1 CCCNCCCO CS-0209795 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 CCCSSCCC CS-0259501 [0,0,0,0,0,0|2,1,0]=3 15 B7R0.1 CCNCCOCC CS-0252490 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.1 CCSCCSCC CS-0236098 [0,0,0,0,0,0|4,0,0]=4 17 B7R0.1 CNCCCCCO CS-0570792 [0,0,0,0,0,0|2,0,0]=2 18 B7R0.1 CNCCNCCN CS-0757275 [0,0,0,0,0,0|3,0,0]=3 19 B7R0.1 CNCCOCCN CS-0245542 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 COCCCCCN CS-0252365 [0,0,0,0,0,0|3,0,0]=3 21 B7R0.1 COCCCCOC CS-0699044 [0,0,0,0,0,0|4,0,0]=4 22 B7R0.1 COCCNCC#N CS-0234183 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.1 COCCNCCO CS-0217039 [0,0,0,0,0,0|2,0,0]=2 24 B7R0.1 COCCOCC#N CS-0539360 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.1 COCCOCCS CS-0115765 [0,0,0,0,0,0|1,1,0]=2 26 B7R0.1 COCCOCCS CS-0115766 [0,0,0,0,0,0|1,1,0]=2 27 B7R0.1 COCOCCC#N CS-0465743 [0,0,0,0,0,0|3,0,1]=4 28 B7R0.1 C\C=C/CCCCC CS-0205053 [0,0,0,0,0,0|2,0,2]=4 29 B7R0.1 ClCCCNCCCl CS-0965060 [0,0,0,0,0,0|3,0,0]=3 30 B7R0.1 N#CCCOCCCl CS-0239038 [0,0,0,0,0,0|2,0,1]=3 31 B7R0.1 NCCSCCCO CS-0724060 [0,0,0,0,0,0|2,1,0]=3 32 B7R0.1 NCCSSCCN CS-W012638 [0,0,0,0,0,0|3,1,0]=4 33 B7R0.1 NOCCOCCO CS-0108836 [0,0,0,0,0,0|2,0,0]=2 34 B7R0.1 NOCCOCCO CS-0115869 [0,0,0,0,0,0|2,0,0]=2 35 B7R0.1 OCCCNCCO CS-0073755 [0,0,0,0,0,0|2,0,0]=2 36 B7R0.1 [NH3+]CCCCCC[NH3+] CS-0468682 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.6 C#CCNCCO CS-0661673 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 C=CCCCCCl CS-0267298 [1,0,0,0,0,0|1,0,2]=4 39 B6R0.6 C=CCCCCN CS-0769784 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 C=COCCOC CS-0238597 [1,0,0,0,0,0|1,0,2]=4 41 B6R0.6 CC#CCCCC CS-0204679 [1,0,0,0,0,0|1,0,1]=3 42 B6R0.6 CC=C=CCCO CS-0260353 [1,0,0,0,0,0|0,0,3]=4 43 B6R0.6 CCCC#CCO CS-0143648 [1,0,0,0,0,0|0,0,2]=3 44 B6R0.6 CCCCCCN CS-0214121 [1,0,0,0,0,0|1,0,0]=2 45 B6R0.6 CCCCCCN CS-0468683 [1,0,0,0,0,0|1,0,0]=2 46 B6R0.6 CCCCCNN CS-0297653 [1,0,0,0,0,0|2,0,0]=3 47 B6R0.6 CCCCOCCl CS-0517473 [1,0,0,0,0,0|1,0,0]=2 48 B6R0.6 CCCCSC#N CS-0238108 [1,0,0,0,0,0|1,1,1]=4 49 B6R0.6 CCCCSCC CS-0206090 [1,0,0,0,0,0|0,1,0]=2 50 B6R0.6 CCCNCCC CS-0515976 [1,0,0,0,0,0|2,0,0]=3 51 B6R0.6 CCCNCCC CS-0621747 [1,0,0,0,0,0|2,0,0]=3 52 B6R0.6 CCCOCC#N CS-0251393 [1,0,0,0,0,0|1,0,1]=3 53 B6R0.6 CCCSCCO CS-0358874 [1,0,0,0,0,0|0,1,0]=2 54 B6R0.6 CCC\C=C/CO CS-0185821 [1,0,0,0,0,0|0,0,2]=3 55 B6R0.6 CCNCCC#N CS-W011332 [1,0,0,0,0,0|2,0,1]=4 56 B6R0.6 CCNCCCO CS-0209413 [1,0,0,0,0,0|1,0,0]=2 57 B6R0.6 CCOCCC#N CS-W011329 [1,0,0,0,0,0|1,0,1]=3 58 B6R0.6 CCOCCCBr CS-0217812 [1,0,0,0,0,0|1,0,0]=2 59 B6R0.6 CCOCCCCl CS-0209053 [1,0,0,0,0,0|1,0,0]=2 60 B6R0.6 CCOCCCI CS-0252970 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.6 CCOCCON CS-0308943 [1,0,0,0,0,0|2,0,0]=3 62 B6R0.6 CCSCCCO CS-0299691 [1,0,0,0,0,0|1,0,0]=2 63 B6R0.6 CC\C=C/CCBr CS-0700616 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.6 CNCCCSC CS-0238668 [1,0,0,0,0,0|3,0,0]=4 65 B6R0.6 COCCCC#N CS-0139387 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 COCCCCN CS-0139373 [1,0,0,0,0,0|2,0,0]=3 67 B6R0.6 COCCCNN CS-0458223 [1,0,0,0,0,0|3,0,0]=4 68 B6R0.6 COCCCOC CS-0696948 [1,0,0,0,0,0|3,0,0]=4 69 B6R0.6 COCOCCBr CS-0146691 [1,0,0,0,0,0|2,0,0]=3 70 B6R0.6 COCOCOC CS-0744407 [1,0,0,0,0,0|3,0,0]=4 71 B6R0.6 CSCCCC#N CS-0240117 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 C\C=C/CCCO CS-0185820 [1,0,0,0,0,0|0,0,2]=3 73 B6R0.6 C\C=C\CCCO CS-0163135 [1,0,0,0,0,0|0,0,2]=3 74 B6R0.6 C\C=C\CCCO CS-0311846 [1,0,0,0,0,0|0,0,2]=3 75 B6R0.6 ClCCNCCCl CS-0662923 [1,0,0,0,0,0|3,0,0]=4 76 B6R0.6 ClCCOCCI CS-0188318 [1,0,0,0,0,0|2,0,0]=3 77 B6R0.6 N#CCCCCI CS-0239840 [1,0,0,0,0,0|2,0,1]=4 78 B6R0.6 N#CCCCCN CS-0199681 [1,0,0,0,0,0|2,0,1]=4 79 B6R0.6 N#CCCCCN CS-0447863 [1,0,0,0,0,0|2,0,1]=4 80 B6R0.6 N#CCCCCO CS-W001265 [1,0,0,0,0,0|1,0,1]=3 81 B6R0.6 NCCOCCO CS-0648204 [1,0,0,0,0,0|1,0,0]=2 82 B8R0.1 CCCNC(=O)CCN CS-0250637 [0,1,0,0,0,0|3,0,0]=4 83 B8R0.1 CCCOC(=O)CCN CS-0258841 [0,1,0,0,0,0|2,0,1]=4 84 B8R0.1 CCNC(=O)NCCO CS-0258450 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.1 CCOC(=O)NCCO CS-0719448 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.1 COCCN(C)CCO CS-0323795 [0,1,0,0,0,0|2,0,0]=3 87 B8R0.4 C#CCCCCCCI CS-0750593 [0,1,0,0,0,0|2,0,1]=4 88 B8R0.4 C=CCCCCCCI CS-0036274 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.4 C=CCCCCCNC CS-0262516 [0,1,0,0,0,0|2,0,1]=4 90 B8R0.4 C=CCCNCCOC CS-1088301 [0,1,0,0,0,0|1,0,2]=4 91 B8R0.4 CCC#CCCCCC CS-0333682 [0,1,0,0,0,0|2,0,1]=4 92 B8R0.4 CCCCCC#CCCl CS-0327102 [0,1,0,0,0,0|2,0,1]=4 93 B8R0.4 CCCCCC#CCO CS-0320711 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.4 CCCCCCCCN CS-0196434 [0,1,0,0,0,0|2,0,0]=3 95 B8R0.4 CCCCCCCSC CS-0336542 [0,1,0,0,0,0|1,1,0]=3 96 B8R0.4 CCCCCNCCN CS-1161793 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.4 CCCCCNCCO CS-0260490 [0,1,0,0,0,0|1,0,0]=2 98 B8R0.4 CCCCCOCCO CS-0454274 [0,1,0,0,0,0|0,0,0]=1 99 B8R0.4 CCCCNCCCC CS-0214086 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.4 CCCCNCCCC CS-0468829 [0,1,0,0,0,0|2,0,0]=3 101 B8R0.4 CCCCNCCCC CS-0516514 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.4 CCCCNCCCC CS-W019062 [0,1,0,0,0,0|2,0,0]=3 103 B8R0.4 CCCCOCCC#N CS-0312643 [0,1,0,0,0,0|1,0,0]=2 104 B8R0.4 CCCCOCCCO CS-0772426 [0,1,0,0,0,0|0,0,0]=1 105 B8R0.4 CCCCOCCOC CS-0196688 [0,1,0,0,0,0|0,0,0]=1 106 B8R0.4 CCCC\C=C/CCO CS-0185640 [0,1,0,0,0,0|1,0,0]=2 107 B8R0.4 CCCNCCCCN CS-0622605 [0,1,0,0,0,0|2,0,0]=3 108 B8R0.4 CCCSSSCCC CS-0622378 [0,1,0,0,0,0|2,1,0]=4 109 B8R0.4 CCC\C=C\C=C\CO CS-0186043 [0,1,0,0,0,0|1,0,2]=4 110 B8R0.4 CCNCCOCCO CS-0238877 [0,1,0,0,0,0|0,0,0]=1 111 B8R0.4 CCOCCOCCBr CS-0186317 [0,1,0,0,0,0|1,0,0]=2 112 B8R0.4 CCOCCOCCCl CS-0243625 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.4 CCOCCOCCN CS-0660255 [0,1,0,0,0,0|1,0,0]=2 114 B8R0.4 CNCCOCCOC CS-0937383 [0,1,0,0,0,0|1,0,0]=2 115 B8R0.4 COCCCCCCBr CS-0162875 [0,1,0,0,0,0|2,0,0]=3 116 B8R0.4 COCCCCCCO CS-0771682 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.4 COCCCCCOC CS-0621638 [0,1,0,0,0,0|2,0,0]=3 118 B8R0.4 COCCCNCCO CS-0235540 [0,1,0,0,0,0|1,0,0]=2 119 B8R0.4 COCCNCCC#N CS-0258112 [0,1,0,0,0,0|2,0,1]=4 120 B8R0.4 COCCNCCCN CS-0234381 [0,1,0,0,0,0|2,0,0]=3 121 B8R0.4 COCCOCCC=O CS-0997536 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.4 COCCOCCCBr CS-0205310 [0,1,0,0,0,0|1,0,0]=2 123 B8R0.4 N#CCCCCCCBr CS-0046366 [0,1,0,0,0,0|2,0,1]=4 124 B8R0.4 OCCCCCCCCl CS-0747527 [0,1,0,0,0,0|1,0,0]=2 125 B8R0.4 OCCCSCCCO CS-0440634 [0,1,0,0,0,0|1,1,0]=3 126 B8R0.4 [N-]=[N+]=NCCOCCO CS-0115785 [0,1,0,0,0,0|2,0,0]=3 127 B8R0.6 BrCCCCC(Br)CBr CS-0568829 [0,1,0,0,0,0|3,0,0]=4 128 B8R0.6 C=CCOC[C@H](O)CO CS-0667469 [0,1,0,0,0,0|2,0,1]=4 129 B8R0.6 C=C[C@@H](O)CCCCC CS-0566736 [0,1,0,0,0,0|2,0,1]=4 130 B8R0.6 CCC(C)NCCOC CS-0303607 [0,1,0,0,0,0|3,0,0]=4 131 B8R0.6 CCCCNC(=O)CBr CS-0573211 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.6 CCCCNC(=O)CC CS-0465067 [0,1,0,0,0,0|2,0,1]=4 133 B8R0.6 CCCCNC(C)CC CS-0238058 [0,1,0,0,0,0|2,0,0]=3 134 B8R0.6 CCCCOC(=O)CF CS-0451760 [0,1,0,0,0,0|1,0,1]=3 135 B8R0.6 CCCNCC(O)CO CS-0697355 [0,1,0,0,0,0|2,0,0]=3 136 B8R0.6 CCCOCC(O)CO CS-0185759 [0,1,0,0,0,0|2,0,0]=3 137 B8R0.6 CC[C@H](C)CCCCO CS-0198804 [0,1,0,0,0,0|1,0,0]=2 138 B8R0.6 COCCOC(=O)CCl CS-0321021 [0,1,0,0,0,0|2,0,1]=4 139 B8R0.6 NCCCCC(N)CO CS-0961428 [0,1,0,0,0,0|2,0,0]=3 140 B8R0.6 NCCCC[C@H](N)CO CS-0158356 [0,1,0,0,0,0|2,0,0]=3 141 B8R0.6 NCCNCC(O)CO CS-0134587 [0,1,0,0,0,0|3,0,0]=4 142 B8R0.6 OCCOCC(O)CO CS-0758146 [0,1,0,0,0,0|1,0,0]=2 143 B8R0.7 C=CCCOCC(=O)O CS-0251653 [0,1,0,0,0,0|0,0,3]=4 144 B8R0.7 CC(=O)OCCCCO CS-0830123 [0,1,0,0,0,0|2,0,1]=4 145 B8R0.7 CC(C)CCNCCO CS-0263334 [0,1,0,0,0,0|1,0,0]=2 146 B8R0.7 CC(C)CCOCCCl CS-0250549 [0,1,0,0,0,0|1,0,0]=2 147 B8R0.7 CC(C)COCCC#N CS-0207850 [0,1,0,0,0,0|2,0,1]=4 148 B8R0.7 CC(C)COCCCN CS-0206527 [0,1,0,0,0,0|2,0,0]=3 149 B8R0.7 CC(C)CSCCCCl CS-0223634 [0,1,0,0,0,0|2,1,0]=4 150 B8R0.7 CC(C)CSCCCN CS-0223830 [0,1,0,0,0,0|2,1,0]=4 151 B8R0.7 CC(O)CCCCCO CS-1161432 [0,1,0,0,0,0|1,0,0]=2 152 B8R0.7 CCCCCCN(C)C CS-0665365 [0,1,0,0,0,0|3,0,0]=4 153 B8R0.7 CCCCCC[C@H](C)N CS-0204693 [0,1,0,0,0,0|2,0,0]=3 154 B8R0.7 CCCCCC[N+](=O)[O-] CS-0466073 [0,1,0,0,0,0|2,0,1]=4 155 B8R0.7 CCCCSCC(=O)O CS-0246194 [0,1,0,0,0,0|0,1,1]=3 156 B8R0.7 CCCNCCN(C)C CS-0262822 [0,1,0,0,0,0|3,0,0]=4 157 B8R0.7 CCCSCCC(=O)O CS-0259094 [0,1,0,0,0,0|2,0,1]=4 158 B8R0.7 CCC\C=C\CC(=O)O CS-0185675 [0,1,0,0,0,0|1,0,2]=4 159 B8R0.7 CCOCCCC(=O)O CS-0248539 [0,1,0,0,0,0|2,0,1]=4 160 B8R0.7 CN(C)CCCCCN CS-0160756 [0,1,0,0,0,0|3,0,0]=4 161 B8R0.7 CN(C)CCNCCN CS-0698089 [0,1,0,0,0,0|3,0,0]=4 162 B8R0.7 CN(C)CCOCCN CS-0232446 [0,1,0,0,0,0|2,0,0]=3 163 B8R0.7 CN(C)CCOCCN CS-0697887 [0,1,0,0,0,0|2,0,0]=3 164 B8R0.7 COCCNCC(C)C CS-0246575 [0,1,0,0,0,0|3,0,0]=4 165 B8R0.7 COCCOCC(C)=O CS-0262929 [0,1,0,0,0,0|1,0,2]=4 166 B8R0.7 COCCSCC(=O)O CS-0246660 [0,1,0,0,0,0|1,1,1]=4 167 B8R0.7 CSCCNCC(=O)O CS-1044942 [0,1,0,0,0,0|2,0,1]=4 168 B8R0.7 NC(=O)CCCCCO CS-0323112 [0,1,0,0,0,0|2,0,1]=4 169 B8R0.7 O=C(O)CCNCCO CS-0161280 [0,1,0,0,0,0|2,0,1]=4 170 B8R0.7 OB(O)CCCCCBr CS-0174891 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.2 C#CC1CCCCN1 CS-0217320 [0,0,0,1,0,0|2,0,1]=4 172 B8R1.2 C#CC1COCCN1 CS-1036548 [0,0,0,1,0,0|1,0,2]=4 173 B8R1.2 CCC1CCCNC1 CS-0216233 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.2 CCC1CCCNC1 CS-0265556 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.2 CCC1CCNCC1 CS-0139274 [0,0,0,1,0,0|3,0,0]=4 176 B8R1.2 CCC1COCCN1 CS-0715614 [0,0,0,1,0,0|1,0,0]=2 177 B8R1.2 CC[C@H]1CCCCN1 CS-0153901 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.2 CNC1CCCOC1 CS-0208750 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.2 COC1CCCCC1 CS-0361650 [0,0,0,1,0,0|3,0,0]=4 180 B8R1.2 CO[C@@H]1CCCNC1 CS-0053324 [0,0,0,1,0,0|3,0,0]=4 181 B8R1.2 CSC1CCCCC1 CS-0455111 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.2 ClCC1CCCCN1 CS-0186441 [0,0,0,1,0,0|2,0,0]=3 183 B8R1.2 ClCC1CCCCO1 CS-0204782 [0,0,0,1,0,0|1,0,0]=2 184 B8R1.2 ClCC1CNCCO1 CS-0692221 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.2 FCC1CCNCC1 CS-0051153 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.2 ICC1COCCO1 CS-0071504 [0,0,0,1,0,0|1,0,0]=2 187 B8R1.2 N#CC1CCCCN1 CS-0048755 [0,0,0,1,0,0|2,0,1]=4 188 B8R1.2 N#CC1CCCCN1 CS-0092627 [0,0,0,1,0,0|2,0,1]=4 189 B8R1.2 N#C[C@@H]1CCCCN1 CS-0184194 [0,0,0,1,0,0|2,0,1]=4 190 B8R1.2 NCC1CCCCC1 CS-0214042 [0,0,0,1,0,0|2,0,0]=3 191 B8R1.2 NCC1CCCCO1 CS-0041578 [0,0,0,1,0,0|1,0,0]=2 192 B8R1.2 NCC1CCCCO1 CS-0205807 [0,0,0,1,0,0|1,0,0]=2 193 B8R1.2 NCC1CCCNC1 CS-0171558 [0,0,0,1,0,0|3,0,0]=4 194 B8R1.2 NCC1CCCOC1 CS-D0477 [0,0,0,1,0,0|2,0,0]=3 195 B8R1.2 NC[C@@H]1CCCNC1 CS-0181018 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.2 NNC1CCCCC1 CS-0047552 [0,0,0,1,0,0|3,0,0]=4 197 B8R1.2 NNC1CCCOC1 CS-0183340 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.2 O=CC1CCCCN1 CS-0171600 [0,0,0,1,0,0|1,0,2]=4 199 B8R1.2 O=CC1CCCCO1 CS-0183379 [0,0,0,1,0,0|0,0,2]=3 200 B8R1.2 O=CC1CCCOC1 CS-W008553 [0,0,0,1,0,0|2,0,1]=4 201 B8R1.2 OC[C@@H]1CCCCN1 CS-0309833 [0,0,0,1,0,0|1,0,0]=2 202 B8R1.2 ONC1CCCCC1 CS-0155322 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.2 SCC1CCCCC1 CS-0252350 [0,0,0,1,0,0|1,1,0]=3 204 B8R1.5 BrC1CCCCC1Br CS-0155357 [0,0,0,1,0,0|3,0,0]=4 205 B8R1.5 Br[C@H]1CCCC[C@@H]1Br CS-0188509 [0,0,0,1,0,0|3,0,0]=4 206 B8R1.5 CC1CCCNC1C CS-0252665 [0,0,0,1,0,0|3,0,0]=4 207 B8R1.5 CC1CCCNC1C CS-0263124 [0,0,0,1,0,0|3,0,0]=4 208 B8R1.5 CC1CCNCC1O CS-0050805 [0,0,0,1,0,0|1,0,0]=2 209 B8R1.5 CC1CNCCC1O CS-W006376 [0,0,0,1,0,0|2,0,0]=3 210 B8R1.5 CC1CNCCN1C CS-0263896 [0,0,0,1,0,0|3,0,0]=4 211 B8R1.5 C[C@@H]1CCCC[C@H]1N CS-0183089 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.5 C[C@@H]1CCCC[C@H]1O CS-0886871 [0,0,0,1,0,0|1,0,0]=2 213 B8R1.5 C[C@@H]1CCCN[C@@H]1C CS-0310253 [0,0,0,1,0,0|3,0,0]=4 214 B8R1.5 C[C@H]1CCCC[C@@H]1C CS-0454933 [0,0,0,1,0,0|2,0,0]=3 215 B8R1.5 FC1CCCCC1Br CS-0314637 [0,0,0,1,0,0|3,0,0]=4 216 B8R1.5 N[C@@H]1COCC[C@H]1O CS-0801126 [0,0,0,1,0,0|2,0,0]=3 217 B8R1.5 N[C@H]1CCCC[C@H]1N CS-0271377 [0,0,0,1,0,0|3,0,0]=4 218 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0030060 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.5 N[C@H]1CCOC[C@@H]1O CS-0053298 [0,0,0,1,0,0|1,0,0]=2 220 B8R1.5 N[C@H]1CCOC[C@H]1F CS-0053232 [0,0,0,1,0,0|2,0,0]=3 221 B8R1.5 N[C@H]1CCOC[C@H]1O CS-0053229 [0,0,0,1,0,0|1,0,0]=2 222 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0047794 [0,0,0,1,0,0|2,0,0]=3 223 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0053233 [0,0,0,1,0,0|2,0,0]=3 224 B8R1.5 N[C@H]1COCC[C@@H]1O CS-0927382 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.5 O[C@@H]1CCCC[C@H]1Br CS-0247917 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101188 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.5 O[C@@H]1CCCC[C@H]1F CS-0101192 [0,0,0,1,0,0|2,0,0]=3 228 B8R1.5 O[C@@H]1CCNC[C@H]1O CS-0047738 [0,0,0,1,0,0|2,0,0]=3 229 B8R1.5 O[C@@H]1CNCC[C@H]1F CS-0863968 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.5 O[C@H]1CCNC[C@@H]1O CS-0491320 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.8 BrCCC1CCCC1 CS-0217808 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.8 BrCCN1CCCC1 CS-0514676 [0,0,0,1,0,0|2,0,0]=3 233 B8R1.8 C#CCC1CCCC1 CS-0230395 [0,0,0,1,0,0|2,0,1]=4 234 B8R1.8 CCCC1=NCCO1 CS-0147317 [0,0,0,1,0,0|1,0,1]=3 235 B8R1.8 CCCC1C=CCN1 CS-0297312 [0,0,0,1,0,0|2,0,1]=4 236 B8R1.8 CCCC1CCNC1 CS-0205315 [0,0,0,1,0,0|3,0,0]=4 237 B8R1.8 CNCC1CCCO1 CS-0145097 [0,0,0,1,0,0|2,0,0]=3 238 B8R1.8 CNCC1OCCO1 CS-0204729 [0,0,0,1,0,0|1,0,0]=2 239 B8R1.8 CNC[C@H]1CCCN1 CS-0184076 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.8 COCC1CCCN1 CS-0036150 [0,0,0,1,0,0|3,0,0]=4 241 B8R1.8 COC[C@H]1CCCN1 CS-0172532 [0,0,0,1,0,0|3,0,0]=4 242 B8R1.8 ClCCN1CCCC1 CS-0134687 [0,0,0,1,0,0|2,0,0]=3 243 B8R1.8 FCCC1CCNC1 CS-0758455 [0,0,0,1,0,0|3,0,0]=4 244 B8R1.8 ICCC1OCCO1 CS-0433339 [0,0,0,1,0,0|1,0,0]=2 245 B8R1.8 N#CCC1CCCO1 CS-0199403 [0,0,0,1,0,0|2,0,1]=4 246 B8R1.8 NCCC1CCCC1 CS-0197300 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.8 NCCC1CCCO1 CS-0286564 [0,0,0,1,0,0|2,0,0]=3 248 B8R1.8 NCCC1CCCO1 CS-0467451 [0,0,0,1,0,0|2,0,0]=3 249 B8R1.8 NCCC1CCOC1 CS-0232608 [0,0,0,1,0,0|3,0,0]=4 250 B8R1.8 NCCC1OCCO1 CS-0205328 [0,0,0,1,0,0|1,0,0]=2 251 B8R1.8 NCCN1CCCC1 CS-0214112 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.8 NNCC1CCCC1 CS-0184467 [0,0,0,1,0,0|3,0,0]=4 253 B8R1.8 OCCC1CCNC1 CS-0052204 [0,0,0,1,0,0|2,0,0]=3 254 B8R1.8 OCCN1CCC=N1 CS-0239628 [0,0,0,1,0,0|2,0,1]=4 255 B8R1.10 C#CCNC1CCC1 CS-0231924 [0,0,0,1,0,0|2,0,1]=4 256 B8R1.10 C=CCOC1COC1 CS-0098953 [0,0,0,1,0,0|2,0,1]=4 257 B8R1.10 NCCCN1CCC1 CS-0308530 [0,0,0,1,0,0|3,0,0]=4 258 B8R1.10 OCCCN1CCC1 CS-D0260 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.11 CC1CCCC1C#N CS-0233204 [0,0,0,1,0,0|2,0,1]=4 260 B8R1.11 CN1CCCC1CCl CS-0453457 [0,0,0,1,0,0|3,0,0]=4 261 B8R1.11 CN1CCC[C@H]1CCl CS-0162088 [0,0,0,1,0,0|3,0,0]=4 262 B8R1.11 CO[C@@H]1CCC[C@H]1O CS-0473355 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.11 CO[C@@H]1CNC[C@H]1F CS-0106644 [0,0,0,1,0,0|3,0,0]=4 264 B8R1.11 CO[C@H]1CCC[C@@H]1O CS-0287097 [0,0,0,1,0,0|2,0,0]=3 265 B8R1.11 CO[C@H]1CNC[C@@H]1O CS-0184524 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.12 NC[C@@H]1CC[C@H]1CN CS-0375732 [0,0,0,1,0,0|3,0,0]=4 267 B8R1.12 OCC1CCC1CO CS-0369550 [0,0,0,1,0,0|2,0,0]=3 268 B8R1.12 OC[C@@H]1CC[C@H]1CO CS-0147675 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.12 OC[C@H]1CC[C@H]1CO CS-0129397 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.22 CC1CCCCCN1 CS-0036910 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.22 CC1CCCCNC1 CS-0038439 [0,0,0,1,0,0|2,0,0]=3 272 B8R1.22 CC1CCCNCC1 CS-0452269 [0,0,0,1,0,0|2,0,0]=3 273 B8R1.22 CC1CCNCCN1 CS-0623042 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.22 CC1CNCCSC1 CS-0237145 [0,0,0,1,0,0|2,1,0]=4 275 B8R1.22 FC1CCCNCC1 CS-0047364 [0,0,0,1,0,0|3,0,0]=4 276 B8R1.22 NC1CCCCNC1 CS-0171603 [0,0,0,1,0,0|2,0,0]=3 277 B8R1.22 NN1CCCCCC1 CS-0204673 [0,0,0,1,0,0|3,0,0]=4 278 B8R1.22 O=C1CCOCCO1 CS-0205374 [0,0,0,1,0,0|1,0,1]=3 279 B8R1.22 OC1CCCNCC1 CS-0053742 [0,0,0,1,0,0|2,0,0]=3 280 B8R1.22 OC1CNCCOC1 CS-0341556 [0,0,0,1,0,0|1,0,0]=2 281 B8R1.22 O[C@@H]1CCCCNC1 CS-0464646 [0,0,0,1,0,0|1,0,0]=2 282 B8R1.22 O[C@@H]1CCCNCC1 CS-0341837 [0,0,0,1,0,0|2,0,0]=3 283 B8R1.22 O[C@H]1CCCCNC1 CS-0340118 [0,0,0,1,0,0|1,0,0]=2 284 B8R1.36 BrCCCCC1CO1 CS-0764850 [0,0,0,1,0,0|2,0,0]=3 285 B8R1.36 CCCCNC1CC1 CS-0246659 [0,0,0,1,0,0|2,0,0]=3 286 B8R1.36 CCCNCC1CC1 CS-0214856 [0,0,0,1,0,0|2,0,0]=3 287 B8R1.36 COCCNC1CC1 CS-0249212 [0,0,0,1,0,0|3,0,0]=4 288 B8R1.36 NCCNCC1CC1 CS-0053535 [0,0,0,1,0,0|2,0,0]=3 289 B8R1.36 NCCOCC1CC1 CS-0259199 [0,0,0,1,0,0|1,0,0]=2 290 B8R1.36 NCCOCC1CC1 CS-0286820 [0,0,0,1,0,0|1,0,0]=2 291 B8R1.36 NCCSCC1CC1 CS-0308151 [0,0,0,1,0,0|1,1,0]=3 292 B8R1.36 OCCNCC1CC1 CS-0251553 [0,0,0,1,0,0|1,0,0]=2 293 B5R0.2 CC#CCCO CS-0143647 [2,0,0,0,0,0|0,0,2]=4 294 B5R0.2 CCCCCF CS-0716626 [2,0,0,0,0,0|1,0,0]=3 295 B5R0.2 CCCCCN CS-0214092 [2,0,0,0,0,0|1,0,0]=3 296 B5R0.2 CCCCNN CS-0667621 [2,0,0,0,0,0|2,0,0]=4 297 B5R0.2 CCCCO[Ti] CS-0111516 [2,0,0,0,0,0|1,0,0]=3 298 B5R0.2 CCNNCC CS-0343044 [2,0,0,0,0,0|2,0,0]=4 299 B5R0.2 CCSCCBr CS-0232073 [2,0,0,0,0,0|1,1,0]=4 300 B5R0.2 CC\C=C/CO CS-0074371 [2,0,0,0,0,0|0,0,2]=4 301 B5R0.2 CNCCOC CS-0250483 [2,0,0,0,0,0|1,0,0]=3 302 B5R0.2 CNOCCN CS-W021370 [2,0,0,0,0,0|2,0,0]=4 303 B5R0.2 COCCCI CS-0236599 [2,0,0,0,0,0|1,0,0]=3 304 B5R0.2 COCCCN CS-0162830 [2,0,0,0,0,0|1,0,0]=3 305 B5R0.2 COCCNN CS-0035845 [2,0,0,0,0,0|2,0,0]=4 306 B5R0.2 COCCOC CS-0835969 [2,0,0,0,0,0|1,0,0]=3 307 B5R0.2 CSCCCN CS-0204914 [2,0,0,0,0,0|1,1,0]=4 308 B5R0.2 CSCCCN CS-0516616 [2,0,0,0,0,0|1,1,0]=4 309 B5R0.2 ClCCOCCl CS-W013455 [2,0,0,0,0,0|2,0,0]=4 310 B5R0.2 NCCCCN CS-0214045 [2,0,0,0,0,0|2,0,0]=4 311 B5R0.2 NCCCCN CS-0468676 [2,0,0,0,0,0|2,0,0]=4 312 B5R0.2 NNCCCO CS-0047562 [2,0,0,0,0,0|2,0,0]=4 313 B5R0.2 OCCCCI CS-0130048 [2,0,0,0,0,0|1,0,0]=3 314 B5R0.2 OCCCCO CS-0637550 [2,0,0,0,0,0|1,0,0]=3 315 B7R0.3 CCC(=O)NCCO CS-0449194 [1,1,0,0,0,0|1,0,1]=4 316 B7R0.3 CCC(C)NCCO CS-0239442 [1,1,0,0,0,0|1,0,0]=3 317 B7R0.3 CCCCC(Br)CC CS-0333705 [1,1,0,0,0,0|1,0,0]=3 318 B7R0.3 CCCCC(C)CO CS-0297350 [1,1,0,0,0,0|0,0,0]=2 319 B7R0.3 CCCCC(O)CC CS-0137777 [1,1,0,0,0,0|1,0,0]=3 320 B7R0.3 CCCC[C@H](N)CO CS-0089877 [1,1,0,0,0,0|0,0,0]=2 321 B7R0.3 CCCOC(=O)CN CS-0727430 [1,1,0,0,0,0|1,0,1]=4 322 B7R0.3 CCN(C)CCCO CS-0215025 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.3 CCOCC(=O)OC CS-0260436 [1,1,0,0,0,0|1,0,1]=4 324 B7R0.3 CCOCC(O)CN CS-0128931 [1,1,0,0,0,0|1,0,0]=3 325 B7R0.3 CC[C@H](C)CCCO CS-0198766 [1,1,0,0,0,0|0,0,0]=2 326 B7R0.3 CNC(=O)OCCO CS-0075093 [1,1,0,0,0,0|1,0,1]=4 327 B7R0.3 COCCC(C)CN CS-0242646 [1,1,0,0,0,0|2,0,0]=4 328 B7R0.3 COCO[C@H](C)CO CS-0732322 [1,1,0,0,0,0|1,0,0]=3 329 B7R0.3 CSCC[C@@H](N)CO CS-0088128 [1,1,0,0,0,0|1,0,0]=3 330 B7R0.3 OCCCC(O)CO CS-0207492 [1,1,0,0,0,0|1,0,0]=3 331 B7R0.4 CC(=O)NCCCO CS-0037159 [1,1,0,0,0,0|1,0,1]=4 332 B7R0.4 CC(=O)OCCCBr CS-0130245 [1,1,0,0,0,0|1,0,1]=4 333 B7R0.4 CC(=O)SCCCO CS-0570855 [1,1,0,0,0,0|1,0,1]=4 334 B7R0.4 CC(C)COCCN CS-0249793 [1,1,0,0,0,0|1,0,0]=3 335 B7R0.4 CC(C)CSCCCl CS-0224003 [1,1,0,0,0,0|1,1,0]=4 336 B7R0.4 CC(C)CSCCN CS-0308387 [1,1,0,0,0,0|1,1,0]=4 337 B7R0.4 CC(C)CSCCO CS-0452430 [1,1,0,0,0,0|0,1,0]=3 338 B7R0.4 CC(C)NCCCN CS-0320337 [1,1,0,0,0,0|2,0,0]=4 339 B7R0.4 CC(C)NCCCO CS-0451363 [1,1,0,0,0,0|1,0,0]=3 340 B7R0.4 CC(C)OCCC#N CS-0223307 [1,1,0,0,0,0|1,0,1]=4 341 B7R0.4 CC(C)OCCCCl CS-0258066 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.4 CC(O)CNCCN CS-0456827 [1,1,0,0,0,0|2,0,0]=4 343 B7R0.4 CC(O)CNCCO CS-M0804 [1,1,0,0,0,0|1,0,0]=3 344 B7R0.4 CCC#CCC(C)O CS-0324057 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.4 CCCCCC(=N)N CS-0239620 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.4 CCCCCC(C)Cl CS-0040143 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.4 CCCCC[N+](=O)[O-] CS-0222574 [1,1,0,0,0,0|1,0,1]=4 348 B7R0.4 CCCCOC(N)=O CS-0152093 [1,1,0,0,0,0|0,0,2]=4 349 B7R0.4 CCCNCC(C)O CS-0465479 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.4 CCOCCC(=O)O CS-0216898 [1,1,0,0,0,0|1,0,1]=4 351 B7R0.4 CCSCCC(=O)O CS-0249654 [1,1,0,0,0,0|1,0,1]=4 352 B7R0.4 CSCCCC(=O)O CS-0261815 [1,1,0,0,0,0|1,0,1]=4 353 B7R0.4 NC(=O)CCCCO CS-0236568 [1,1,0,0,0,0|1,0,1]=4 354 B7R0.4 NCCCCC(=O)O CS-0214159 [1,1,0,0,0,0|1,0,1]=4 355 B7R0.4 NCCOCC(=O)O CS-0162340 [1,1,0,0,0,0|1,0,1]=4 356 B7R0.4 OB(O)CCCCBr CS-0357249 [1,1,0,0,0,0|2,0,0]=4 357 B7R0.4 OCCOCC(F)F CS-0234508 [1,1,0,0,0,0|1,0,0]=3 358 B7R0.7 C=CCC(O)CCC CS-0236276 [1,1,0,0,0,0|1,0,1]=4 359 B7R0.7 CCCC(=O)OCCl CS-0199093 [1,1,0,0,0,0|1,0,1]=4 360 B7R0.7 CCNC(C)CCO CS-0309163 [1,1,0,0,0,0|1,0,0]=3 361 B7R0.7 CCNC(C)COC CS-0248126 [1,1,0,0,0,0|2,0,0]=4 362 B7R0.7 CCOC(=N)CCCl CS-0681393 [1,1,0,0,0,0|1,0,1]=4 363 B7R0.7 CCOC(=S)SCC CS-0238225 [1,1,0,0,0,0|1,0,1]=4 364 B7R0.7 CCOS(=O)OCC CS-0204569 [1,1,0,0,0,0|2,0,0]=4 365 B7R0.7 CN(CCN)CCO CS-0453856 [1,1,0,0,0,0|2,0,0]=4 366 B7R0.7 O=S(CCO)CCO CS-0256472 [1,1,0,0,0,0|1,1,0]=4 367 B9R0.4 CCCCC(C)CC(=O)O CS-0297348 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.4 CCCCC(C)CC(C)C CS-0664693 [0,2,0,0,0,0|2,0,0]=4 369 B9R0.4 CCCCC(N)CC(=O)O CS-0447568 [0,2,0,0,0,0|1,0,1]=4 370 B9R0.5 C=CCOCC(O)CNC CS-0332384 [0,2,0,0,0,0|1,0,1]=4 371 B9R0.5 CCCCCC(=O)CCC CS-0362557 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.5 CCCCCC(C)CCC CS-0196860 [0,2,0,0,0,0|2,0,0]=4 373 B9R0.5 CCCCCC(O)CCC CS-0454124 [0,2,0,0,0,0|2,0,0]=4 374 B9R0.5 CCCCCC(O)CCO CS-0503950 [0,2,0,0,0,0|1,0,0]=3 375 B9R0.5 CCOC(=O)COCCI CS-0510728 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.5 COCCNC(C)COC CS-0250533 [0,2,0,0,0,0|2,0,0]=4 377 B9R0.8 CCCCC(C)C(C)CC CS-0737666 [0,2,0,0,0,0|2,0,0]=4 378 B9R0.18 CCCCC(C)CCCC CS-0360829 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.18 CCCCC(N)CCCC CS-0160725 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.18 CCCCN(C)CCCC CS-0724862 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.18 CCCC[PH](=O)CCCC CS-0749671 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.18 CCCOS(=O)OCCC CS-0207471 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.18 CN(CCCO)CCCO CS-0121048 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.34 CCCC(=O)OC(C)CC CS-0466518 [0,2,0,0,0,0|1,0,1]=4 385 B9R0.34 CCCC(C)CC(C)CC CS-0621787 [0,2,0,0,0,0|2,0,0]=4 386 B9R0.35 CCCC(=O)C(O)CCC CS-W016384 [0,2,0,0,0,0|2,0,0]=4 387 B9R0.40 CCCCN(CC)CCN CS-0217487 [0,2,0,0,0,0|2,0,0]=4 388 B9R0.48 CN(C)CCN(C)CCO CS-0077094 [0,2,0,0,0,0|2,0,0]=4 389 B9R0.2 CC(C)CCCCCCN CS-0238943 [0,2,0,0,0,0|2,0,0]=4 390 B9R0.2 CC(C)CCNCCC#N CS-0258130 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.2 CC(C)CCOCCC#N CS-0236017 [0,2,0,0,0,0|1,0,0]=3 392 B9R0.2 CC(C)NCCCCCO CS-0154182 [0,2,0,0,0,0|1,0,0]=3 393 B9R0.2 CCCCC#CCC(=O)O CS-0758050 [0,2,0,0,0,0|1,0,1]=4 394 B9R0.2 CCCCCCCB(O)O CS-0152295 [0,2,0,0,0,0|1,0,0]=3 395 B9R0.2 CCCCCCCC(=O)[O-] CS-0464184 [0,2,0,0,0,0|1,0,1]=4 396 B9R0.2 CCCCCCCC(C)C CS-0622595 [0,2,0,0,0,0|2,0,0]=4 397 B9R0.2 CCCCCCCC(C)O CS-0319684 [0,2,0,0,0,0|1,0,0]=3 398 B9R0.2 CCCCCCCC(N)=O CS-0206474 [0,2,0,0,0,0|1,0,1]=4 399 B9R0.2 CCCCCCCN(C)C CS-0259349 [0,2,0,0,0,0|2,0,0]=4 400 B9R0.2 CCOCCOCC(=O)O CS-0251305 [0,2,0,0,0,0|0,0,1]=3 401 B9R0.2 COCCCCCC(=O)O CS-0214614 [0,2,0,0,0,0|1,0,1]=4 402 B9R0.2 COCCOCCC(N)=S CS-0242911 [0,2,0,0,0,0|1,0,1]=4 403 B9R0.2 NCCCCCCC(=O)O CS-0160022 [0,2,0,0,0,0|1,0,1]=4 404 B9R0.2 OB(O)CCCCCCBr CS-0174975 [0,2,0,0,0,0|2,0,0]=4 405 B9R0.45 CCCCCC#CCCO CS-0318122 [0,2,0,0,0,0|1,0,0]=3 406 B9R0.45 CCCCCCC#CCO CS-0207359 [0,2,0,0,0,0|1,0,0]=3 407 B9R0.45 CCCCCCCNCC CS-W016409 [0,2,0,0,0,0|2,0,0]=4 408 B9R0.45 CCCCCCNCCO CS-0249334 [0,2,0,0,0,0|1,0,0]=3 409 B9R0.45 CCCCCC\C=C/CO CS-0069710 [0,2,0,0,0,0|1,0,0]=3 410 B9R0.45 CCCCCC\C=C\CO CS-0185681 [0,2,0,0,0,0|1,0,0]=3 411 B9R0.45 CCCCSSCCCC CS-0204839 [0,2,0,0,0,0|1,1,0]=4 412 B9R0.45 CCCC\C=C/CCCC CS-0205118 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.45 CCCC\C=C\CCCC CS-0763834 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.45 CCOCCCCOCC CS-0444651 [0,2,0,0,0,0|2,0,0]=4 415 B9R0.45 CC\C=C\CC\C=C\CO CS-0699000 [0,2,0,0,0,0|1,0,1]=4 416 B9R0.45 CNCCCOCCOC CS-0258923 [0,2,0,0,0,0|0,0,0]=2 417 B9R0.45 COCCCNCCOC CS-0250510 [0,2,0,0,0,0|1,0,0]=3 418 B9R0.45 COCCOCCCC#N CS-0250879 [0,2,0,0,0,0|0,0,1]=3 419 B9R0.45 COCCOCCCCN CS-0252987 [0,2,0,0,0,0|0,0,0]=2 420 B9R0.45 COCCOCCN=[N+]=[N-] CS-0115802 [0,2,0,0,0,0|2,0,0]=4 421 B9R0.45 NCCOCCOCCN CS-0115746 [0,2,0,0,0,0|1,0,0]=3 422 B9R0.45 NCCOCCOCCN CS-0148617 [0,2,0,0,0,0|1,0,0]=3 423 B9R0.45 OCCSCCSCCO CS-W017093 [0,2,0,0,0,0|0,1,0]=3 424 B9R0.46 C=CC(O)CCCCCC CS-0449661 [0,2,0,0,0,0|1,0,0]=3 425 B9R0.46 CCCCCCC(C)CO CS-0210362 [0,2,0,0,0,0|1,0,0]=3 426 B9R0.46 CCOCCOC(=O)CCl CS-0465965 [0,2,0,0,0,0|1,0,1]=4 427 B9R0.46 COC(=O)COCCCBr CS-0503739 [0,2,0,0,0,0|1,0,1]=4 428 B9R0.24 CCC(C)CCC(C)CO CS-0358995 [0,2,0,0,0,0|1,0,0]=3 429 B9R0.24 CC[C@H](O)CC[C@@H](O)CC CS-0109384 [0,2,0,0,0,0|2,0,0]=4 430 B9R0.24 COC(C)COC(C)CO CS-0154037 [0,2,0,0,0,0|1,0,0]=3 431 B9R0.47 CCCCOC(=O)C(C)Cl CS-0262940 [0,2,0,0,0,0|1,0,1]=4 432 B9R0.47 CCCCOC(=O)C(C)O CS-W018230 [0,2,0,0,0,0|0,0,1]=3 433 B9R0.47 CCCCOC(=O)C(F)F CS-0121183 [0,2,0,0,0,0|1,0,1]=4 434 B9R0.47 CCCCSC(C)C(=O)O CS-0250741 [0,2,0,0,0,0|0,1,1]=4 435 B9R0.50 CCCCCC(CO)CO CS-W016353 [0,2,0,0,0,0|1,0,0]=3 436 B9R0.50 CCN(CC)CCCCO CS-0336109 [0,2,0,0,0,0|2,0,0]=4 437 B9R0.38 CC(C)(O)CCCCCBr CS-0227467 [0,2,0,0,0,0|2,0,0]=4 438 B9R0.38 CCCCCCC(C)(C)O CS-0505137 [0,2,0,0,0,0|1,0,0]=3 439 B9R0.38 CCCCNCC(F)(F)F CS-0208264 [0,2,0,0,0,0|2,0,0]=4 440 B9R0.38 COCCOCC(C)(C)O CS-0260218 [0,2,0,0,0,0|1,0,0]=3 441 B9R0.38 CS(=O)(=O)CCOCCN CS-0263169 [0,2,0,0,0,0|2,0,0]=4 442 B9R0.38 FC(F)(F)COCCCCl CS-0251133 [0,2,0,0,0,0|2,0,0]=4 443 B9R0.38 NCCCOCC(F)(F)F CS-0249066 [0,2,0,0,0,0|2,0,0]=4 444 B9R0.55 CC(C)CCCCC(C)C CS-0035264 [0,2,0,0,0,0|2,0,0]=4 445 B9R0.55 CC(C)CCCCC(C)C CS-0757580 [0,2,0,0,0,0|2,0,0]=4 446 B9R0.55 CC(C)CCOCC(=O)O CS-0251874 [0,2,0,0,0,0|0,0,1]=3 447 B9R0.55 CC(C)CCSCC(=O)O CS-0251329 [0,2,0,0,0,0|0,1,1]=4 448 B7R1.1 BrCC1CCCO1 CS-0052243 [1,0,0,1,0,0|1,0,0]=3 449 B7R1.1 C#C[C@@H]1CCCO1 CS-0777989 [1,0,0,1,0,0|0,0,2]=4 450 B7R1.1 CCC1=NCCO1 CS-W009554 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.1 CC[C@H]1CCNC1 CS-0053268 [1,0,0,1,0,0|1,0,0]=3 452 B7R1.1 CNC1CCCC1 CS-0142496 [1,0,0,1,0,0|2,0,0]=4 453 B7R1.1 CNC1CCNC1 CS-0099966 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.1 CNC1CCNC1 CS-0444615 [1,0,0,1,0,0|2,0,0]=4 455 B7R1.1 CNC1CCOC1 CS-0046706 [1,0,0,1,0,0|1,0,0]=3 456 B7R1.1 CNC1CCSC1 CS-0046714 [1,0,0,1,0,0|1,1,0]=4 457 B7R1.1 CN[C@@H]1CCNC1 CS-0035658 [1,0,0,1,0,0|2,0,0]=4 458 B7R1.1 ClC[C@@H]1CCCN1 CS-0215002 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.1 FC[C@H]1CCCN1 CS-0053502 [1,0,0,1,0,0|2,0,0]=4 460 B7R1.1 FC[C@H]1CCNC1 CS-0433415 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.1 ICC1CCCO1 CS-0225833 [1,0,0,1,0,0|1,0,0]=3 462 B7R1.1 N#C[C@@H]1CCOC1 CS-0053250 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.1 N#C[C@H]1CCOC1 CS-0183413 [1,0,0,1,0,0|1,0,1]=4 464 B7R1.1 NCC1CCNC1 CS-0477135 [1,0,0,1,0,0|2,0,0]=4 465 B7R1.1 NCC1CCOC1 CS-0048762 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.1 NCC1OCCO1 CS-D0489 [1,0,0,1,0,0|1,0,0]=3 467 B7R1.1 NC[C@H]1CCCN1 CS-W017562 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.1 NC[C@H]1CCCO1 CS-0469844 [1,0,0,1,0,0|1,0,0]=3 469 B7R1.1 NNC1CCCC1 CS-W000556 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.1 NNC1CCOC1 CS-0183421 [1,0,0,1,0,0|2,0,0]=4 471 B7R1.1 OCC1CCNC1 CS-0048724 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.1 OCC1CCNC1 CS-0155220 [1,0,0,1,0,0|1,0,0]=3 473 B7R1.1 OC[C@@H]1CCCN1 CS-0199747 [1,0,0,1,0,0|1,0,0]=3 474 B7R1.1 OC[C@H]1CCNC1 CS-0053246 [1,0,0,1,0,0|1,0,0]=3 475 B7R1.1 OC[C@H]1CCOC1 CS-0053313 [1,0,0,1,0,0|1,0,0]=3 476 B7R1.1 [C@@H]1(CO)CCNC1 CS-0044035 [1,0,0,1,0,0|1,0,0]=3 477 B7R1.1 [C@H]1(NC)CCNC1 CS-W016650 [1,0,0,1,0,0|2,0,0]=4 478 B7R1.3 BrC1CCNCC1 CS-0683338 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.3 C=C1CCOCC1 CS-W004277 [1,0,0,1,0,0|0,0,2]=4 480 B7R1.3 CB1OCCCO1 CS-0698995 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.3 C[C@@H]1CCCCN1 CS-0146588 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.3 C[C@@H]1CNCCN1 CS-0170840 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.3 NC1CCCCC1 CS-0214048 [1,0,0,1,0,0|1,0,0]=3 484 B7R1.3 NC1CCOCC1 CS-0439638 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.3 NN1CCCCC1 CS-W001609 [1,0,0,1,0,0|2,0,0]=4 486 B7R1.3 N[C@H]1CCCNC1 CS-0310189 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.3 O=S1CCOCC1 CS-0686002 [1,0,0,1,0,0|2,0,0]=4 488 B7R1.3 OC1CCCSC1 CS-0256670 [1,0,0,1,0,0|0,1,0]=3 489 B7R1.3 OC1COCOC1 CS-0249215 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.3 O[C@@H]1CCCOC1 CS-0053086 [1,0,0,1,0,0|0,0,0]=2 491 B7R1.3 SC1CCNCC1 CS-0048752 [1,0,0,1,0,0|1,1,0]=4 492 B7R1.4 BrC1CCCC1Br CS-0310140 [1,0,0,1,0,0|2,0,0]=4 493 B7R1.4 Br[C@@H]1CCC[C@H]1Br CS-0310307 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.4 CC1CCCC1N CS-0145127 [1,0,0,1,0,0|1,0,0]=3 495 B7R1.4 CC1CCCC1O CS-0464755 [1,0,0,1,0,0|0,0,0]=2 496 B7R1.4 CC1CNCC1O CS-0486549 [1,0,0,1,0,0|1,0,0]=3 497 B7R1.4 C[C@@H]1CNC[C@@H]1O CS-0184525 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.4 C[C@H]1CCC[C@@H]1O CS-0036071 [1,0,0,1,0,0|0,0,0]=2 499 B7R1.4 NC1CCCC1O CS-W005452 [1,0,0,1,0,0|1,0,0]=3 500 B7R1.4 NC1CNCC1O CS-0671458 [1,0,0,1,0,0|2,0,0]=4 501 B7R1.4 NC1COCC1O CS-0112323 [1,0,0,1,0,0|1,0,0]=3 502 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0047825 [1,0,0,1,0,0|2,0,0]=4 503 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0047743 [1,0,0,1,0,0|2,0,0]=4 504 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0049679 [1,0,0,1,0,0|1,0,0]=3 505 B7R1.4 N[C@H]1COC[C@@H]1O CS-0037840 [1,0,0,1,0,0|1,0,0]=3 506 B7R1.4 OC1CCCC1Br CS-0527053 [1,0,0,1,0,0|1,0,0]=3 507 B7R1.4 O[C@@H]1CCC[C@H]1F CS-0101190 [1,0,0,1,0,0|1,0,0]=3 508 B7R1.4 O[C@@H]1COC[C@H]1F CS-0309512 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.4 O[C@@H]1COC[C@H]1O CS-0132915 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.4 O[C@H]1CCC[C@H]1Cl CS-0518472 [1,0,0,1,0,0|1,0,0]=3 511 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0047805 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.4 O[C@H]1CNC[C@@H]1O CS-0058679 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.6 CCOC1CNC1 CS-0005432 [1,0,0,1,0,0|1,0,0]=3 514 B7R1.6 CCOC1CNC1 CS-0341275 [1,0,0,1,0,0|1,0,0]=3 515 B7R1.6 CNCC1CCC1 CS-0075317 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.6 COCC1CCN1 CS-0052226 [1,0,0,1,0,0|2,0,0]=4 517 B7R1.6 COCC1CCN1 CS-0184090 [1,0,0,1,0,0|2,0,0]=4 518 B7R1.6 COC[C@@H]1CCN1 CS-0052225 [1,0,0,1,0,0|2,0,0]=4 519 B7R1.6 ClCCN1CCC1 CS-0054781 [1,0,0,1,0,0|2,0,0]=4 520 B7R1.6 ClCOC1CCC1 CS-0239523 [1,0,0,1,0,0|1,0,0]=3 521 B7R1.6 N#CCC1CCC1 CS-0079983 [1,0,0,1,0,0|1,0,1]=4 522 B7R1.6 NNCC1CCC1 CS-0049633 [1,0,0,1,0,0|2,0,0]=4 523 B7R1.6 OCCC1CNC1 CS-0044129 [1,0,0,1,0,0|1,0,0]=3 524 B7R1.7 BrCCCC1CO1 CS-0959492 [1,0,0,1,0,0|1,0,0]=3 525 B7R1.7 C=CCC[C@H]1CO1 CS-0183115 [1,0,0,1,0,0|0,0,2]=4 526 B7R1.7 NCCNC1CC1 CS-0252702 [1,0,0,1,0,0|2,0,0]=4 527 B7R1.7 NCCOC1CC1 CS-0656225 [1,0,0,1,0,0|1,0,0]=3 528 B7R1.8 CN1CCC1CO CS-0343601 [1,0,0,1,0,0|1,0,0]=3 529 B7R1.8 CN1CC[C@H]1CN CS-0053064 [1,0,0,1,0,0|2,0,0]=4 530 B7R1.8 CN1CC[C@H]1CN CS-0745584 [1,0,0,1,0,0|2,0,0]=4 531 B7R1.8 CN1CC[C@H]1CO CS-0172435 [1,0,0,1,0,0|1,0,0]=3 532 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,1,0,0|1,0,1]=4 533 B7R1.24 C1=CCOCOC1 CS-0204459 [1,0,0,1,0,0|0,0,2]=4 534 B7R1.24 C1CNCCSC1 CS-0271950 [1,0,0,1,0,0|1,1,0]=4 535 B9R1.2 CCC1CCCC(=O)C1 CS-0261625 [0,1,0,1,0,0|2,0,0]=4 536 B9R1.2 CCC1CCCC(O)C1 CS-0452622 [0,1,0,1,0,0|1,0,0]=3 537 B9R1.2 CCC1CN(C)CCN1 CS-0259973 [0,1,0,1,0,0|2,0,0]=4 538 B9R1.2 CCC1CN(C)CCN1 CS-0505882 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.2 CCC1COCC(=O)N1 CS-0146685 [0,1,0,1,0,0|0,0,2]=4 540 B9R1.2 CC[C@H]1CN(C)CCN1 CS-0505889 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.2 CN1CCOC(CN)C1 CS-0337992 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.2 CNC1CCCC(O)C1 CS-0340358 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.2 COC1CCCC(O)C1 CS-0051287 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.2 NCC1CCCC(O)C1 CS-0130361 [0,1,0,1,0,0|2,0,0]=4 545 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 CS-0474631 [0,1,0,1,0,0|1,0,0]=3 546 B9R1.2 O=C1CCCC(CO)C1 CS-0216970 [0,1,0,1,0,0|1,0,1]=4 547 B9R1.2 O=C1CCC[C@@H](CO)N1 CS-0199303 [0,1,0,1,0,0|1,0,1]=4 548 B9R1.7 CCCC1CCC(=O)O1 CS-0152400 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.7 CCCN1CCC(N)C1 CS-0713724 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.7 COC[C@H]1C[C@@H](O)CN1 CS-0309966 [0,1,0,1,0,0|2,0,0]=4 551 B9R1.8 C=CCC1CCCCC1 CS-0204332 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.8 CCCN1CCNCC1 CS-0124226 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.8 CCOC1CCCNC1 CS-0200217 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.8 CCOC1CCCNC1 CS-0206966 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.8 CNCC1=CCCOC1 CS-0245136 [0,1,0,1,0,0|1,0,1]=4 556 B9R1.8 CNCC1CCCCO1 CS-0071241 [0,1,0,1,0,0|1,0,0]=3 557 B9R1.8 CNCC1CCCCO1 CS-0328279 [0,1,0,1,0,0|1,0,0]=3 558 B9R1.8 CNCC1COCCO1 CS-0197510 [0,1,0,1,0,0|0,0,0]=2 559 B9R1.8 CNCC1COCCO1 CS-0215339 [0,1,0,1,0,0|0,0,0]=2 560 B9R1.8 COCC1CNCCO1 CS-0217802 [0,1,0,1,0,0|1,0,0]=3 561 B9R1.8 COCC1COCCN1 CS-0166745 [0,1,0,1,0,0|1,0,0]=3 562 B9R1.8 COC[C@@H]1CNCCO1 CS-0302168 [0,1,0,1,0,0|1,0,0]=3 563 B9R1.8 COC[C@@H]1COCCN1 CS-0466213 [0,1,0,1,0,0|1,0,0]=3 564 B9R1.8 COC[C@H]1COCCN1 CS-0309599 [0,1,0,1,0,0|1,0,0]=3 565 B9R1.8 ClCCC1CCCCN1 CS-0260961 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.8 ICCC1CCCCC1 CS-0244784 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.8 N#CCC1CCCCN1 CS-0673290 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.8 N#CCC1CCCOC1 CS-0249593 [0,1,0,1,0,0|1,0,1]=4 569 B9R1.8 NCCC1CCCCO1 CS-0085206 [0,1,0,1,0,0|1,0,0]=3 570 B9R1.8 NCCC1CCCOC1 CS-0249594 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.8 NCCN1CCCCC1 CS-0034662 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.8 NNCC1CCCCC1 CS-0054473 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.8 NOCC1CCCCC1 CS-0287059 [0,1,0,1,0,0|1,0,0]=3 574 B9R1.8 NOCC1CCOCC1 CS-0287060 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.8 OCC=C1CCCCC1 CS-0884166 [0,1,0,1,0,0|1,0,1]=4 576 B9R1.8 OCCN1CCCCC1 CS-0757897 [0,1,0,1,0,0|1,0,0]=3 577 B9R1.8 OCCN1CCSCC1 CS-0158316 [0,1,0,1,0,0|1,0,0]=3 578 B9R1.8 OCC[C@H]1CCCCN1 CS-0155252 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.8 SCCN1CCOCC1 CS-0243247 [0,1,0,1,0,0|1,1,0]=4 580 B9R1.12 BrCCCC1CCCC1 CS-0217087 [0,1,0,1,0,0|2,0,0]=4 581 B9R1.12 BrCCSC1CCCC1 CS-0247604 [0,1,0,1,0,0|1,1,0]=4 582 B9R1.12 C#CCCN1CCCC1 CS-0308541 [0,1,0,1,0,0|2,0,0]=4 583 B9R1.12 CCCCC1CCCN1 CS-0152341 [0,1,0,1,0,0|2,0,0]=4 584 B9R1.12 CCCCC1ccCC1 CS-0069717 [0,1,0,1,0,0|2,0,0]=4 585 B9R1.12 CCNCC1CCCO1 CS-0251093 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.12 CCNCC1CCCO1 CS-0251503 [0,1,0,1,0,0|1,0,0]=3 587 B9R1.12 CNCCC1OCCO1 CS-0320935 [0,1,0,1,0,0|0,0,0]=2 588 B9R1.12 ClCCCN1CCCC1 CS-0052890 [0,1,0,1,0,0|2,0,0]=4 589 B9R1.12 ClCCCN1CCCC1 CS-0054075 [0,1,0,1,0,0|2,0,0]=4 590 B9R1.12 N#CCCN1CCCC1 CS-0073029 [0,1,0,1,0,0|2,0,0]=4 591 B9R1.12 NCCCC1CCCC1 CS-0051389 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.12 NCCCC1CCOC1 CS-0242321 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.12 NCCOC1CCCC1 CS-0216489 [0,1,0,1,0,0|1,0,0]=3 594 B9R1.12 NCCSC1CCCC1 CS-0286832 [0,1,0,1,0,0|1,1,0]=4 595 B9R1.12 OCCCC1CCCC1 CS-0155350 [0,1,0,1,0,0|1,0,0]=3 596 B9R1.12 OCCNC1CCCC1 CS-0072950 [0,1,0,1,0,0|1,0,0]=3 597 B9R1.12 OCCOC1CCCC1 CS-0216197 [0,1,0,1,0,0|0,0,0]=2 598 B9R1.15 CC1CC=CCC1CO CS-0239130 [0,1,0,1,0,0|1,0,1]=4 599 B9R1.15 CC1CCCCC1C#N CS-0257388 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.15 CC1CCCC\C1=N\O CS-0335335 [0,1,0,1,0,0|1,0,1]=4 601 B9R1.15 CCC1CCCCC1C CS-0451806 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.15 CCC1CNCCN1C CS-0217225 [0,1,0,1,0,0|2,0,0]=4 603 B9R1.15 CCN1CCNCC1C CS-0124304 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.15 CCN1CCNC[C@@H]1C CS-0753869 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.15 CC[C@@H]1CNCCN1C CS-0162176 [0,1,0,1,0,0|2,0,0]=4 606 B9R1.15 CN1CCCCC1CBr CS-0216923 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.15 CN1CCOCC1C#N CS-0673069 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.15 CN[C@@H]1CCCC[C@H]1O CS-0151243 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.15 CN[C@H]1CCOC[C@@H]1O CS-1057048 [0,1,0,1,0,0|0,0,0]=2 610 B9R1.15 COC1CCCCC1O CS-0758165 [0,1,0,1,0,0|1,0,0]=3 611 B9R1.15 CO[C@@H]1COCC[C@H]1N CS-0047760 [0,1,0,1,0,0|1,0,0]=3 612 B9R1.15 CO[C@H]1COCC[C@@H]1N CS-0184232 [0,1,0,1,0,0|1,0,0]=3 613 B9R1.15 C[C@H]1NCCC[C@H]1CO CS-0772563 [0,1,0,1,0,0|1,0,0]=3 614 B9R1.15 OC[C@H]1CCNC[C@@H]1O CS-0183396 [0,1,0,1,0,0|1,0,0]=3 615 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O CS-0999983 [0,1,0,1,0,0|1,0,0]=3 616 B9R1.22 OC[C@H]1OC(O)C[C@@H]1O CS-0487014 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.33 CCCC1CCCC1=O CS-0238047 [0,1,0,1,0,0|1,0,1]=4 618 B9R1.33 CN1CCCC1CCCl CS-W017020 [0,1,0,1,0,0|2,0,0]=4 619 B9R1.33 CN1CCC[C@@H]1CCN CS-0184409 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.33 CN1CCC[C@H]1CCN CS-0858459 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.33 OCCC1CCCC1O CS-0161652 [0,1,0,1,0,0|1,0,0]=3 622 B9R1.49 CN1CCCC(O)CC1 CS-0358216 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.49 CN1CCCC(O)CC1 CS-W021358 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.50 ClC1CCCCCCC1 CS-0232089 [0,1,0,1,0,0|2,0,0]=4 625 B9R1.50 OC1C=CCCCCC1 CS-0651087 [0,1,0,1,0,0|1,0,1]=4 626 B9R1.50 SC1CCCCCCC1 CS-0871643 [0,1,0,1,0,0|1,1,0]=4 627 B9R1.69 CC1CCC(C)C(C)C1 CS-0450064 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.69 CC1CCC(C)C(O)C1 CS-0217766 [0,1,0,1,0,0|1,0,0]=3 629 B9R1.69 CC1CCC(O)C(C)C1 CS-0259125 [0,1,0,1,0,0|1,0,0]=3 630 B9R1.69 OC1C[C@H](O)[C@H](O)CO1 CS-0480731 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.69 O[C@H]1C[C@H](O)OC[C@H]1O CS-0180886 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.73 CCCC(=O)C1CCC1 CS-0482832 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.117 OCCCC1(O)CCC1 CS-0052884 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.134 CC1(CCBr)OCCO1 CS-0129439 [0,1,0,1,0,0|1,0,0]=3 635 B9R1.134 CCOP1(=O)OCCO1 CS-0523544 [0,1,0,1,0,0|2,0,0]=4 636 B9R1.134 NC1(CCO)CCCC1 CS-0239189 [0,1,0,1,0,0|1,0,0]=3 637 B9R1.5 O=C1CCCCCC1O CS-0965256 [0,1,0,1,0,0|1,0,1]=4 638 B9R1.14 CO[C@@H]1CNC[C@H]1OC CS-0184081 [0,1,0,1,0,0|2,0,0]=4 639 B9R1.14 CO[C@H]1CNC[C@H]1OC CS-0047099 [0,1,0,1,0,0|2,0,0]=4 640 B9R1.17 CCCOCC1CNC1 CS-1057346 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.17 COCCOC1CNC1 CS-0056898 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.83 COCCNCC1CC1 CS-0713640 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.89 CCN1CCCCCC1 CS-0454776 [0,1,0,1,0,0|2,0,0]=4 644 B9R1.89 CCN1CCCNCC1 CS-0691647 [0,1,0,1,0,0|2,0,0]=4 645 B9R1.89 CNC1CCCCCC1 CS-0213188 [0,1,0,1,0,0|2,0,0]=4 646 B9R1.89 CNC1CCCCNC1 CS-0301419 [0,1,0,1,0,0|2,0,0]=4 647 B9R1.89 COC1CCCNCC1 CS-0050817 [0,1,0,1,0,0|2,0,0]=4 648 B9R1.89 N#CC1CCCCNC1 CS-0494396 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.89 NCC1CCCCCC1 CS-W011142 [0,1,0,1,0,0|2,0,0]=4 650 B9R1.89 NNC1CCCCCC1 CS-0258115 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.89 OCC1CCCCCN1 CS-0235058 [0,1,0,1,0,0|1,0,0]=3 652 B9R1.89 OCC1CNCCCO1 CS-0208043 [0,1,0,1,0,0|0,0,0]=2 653 B9R1.89 OCC1CNCCOC1 CS-1057152 [0,1,0,1,0,0|1,0,0]=3 654 B9R1.89 ON=C1CCCCCC1 CS-0449588 [0,1,0,1,0,0|1,0,1]=4 655 B9R1.103 C1CCCCNCCC1 CS-W016556 [0,1,0,1,0,0|2,0,0]=4 656 B9R1.1 CC1CCC(CO)CC1 CS-0205309 [0,1,0,1,0,0|1,0,0]=3 657 B9R1.1 CC1CCC(CO)CN1 CS-0053127 [0,1,0,1,0,0|2,0,0]=4 658 B9R1.1 CCC1CCC(C)CC1 CS-0451769 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.1 CCC1CCC(C)NC1 CS-0239129 [0,1,0,1,0,0|2,0,0]=4 660 B9R1.1 CCC1CNC(C)CO1 CS-0243443 [0,1,0,1,0,0|1,0,0]=3 661 B9R1.1 CC[C@H]1CC[C@H](O)CC1 CS-0180939 [0,1,0,1,0,0|2,0,0]=4 662 B9R1.1 NCC1CCC(N)CC1 CS-0225319 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.1 N[C@@H]1C=C[C@@H](CO)OC1 CS-0492940 [0,1,0,1,0,0|0,0,2]=4 664 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 CS-0049681 [0,1,0,1,0,0|1,0,0]=3 665 B9R1.1 OC[C@H]1CC[C@@H](O)CC1 CS-0058280 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.3 CC1CCCC(C)C1N CS-0246600 [0,1,0,1,0,0|2,0,0]=4 667 B9R1.3 CC1CCCC(C)C1N CS-0469738 [0,1,0,1,0,0|2,0,0]=4 668 B9R1.3 CC1CCCC(C)C1O CS-0206011 [0,1,0,1,0,0|1,0,0]=3 669 B9R1.11 CC(CN)N1CCCC1 CS-0072076 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.11 CC(CO)N1CCCC1 CS-0308542 [0,1,0,1,0,0|1,0,0]=3 671 B9R1.11 CCC(N)C1CCCC1 CS-0215438 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.11 C[C@H](CO)N1CCCC1 CS-0879703 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.11 NC(CO)C1CCOC1 CS-0230564 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.11 O=C(CO)N1CCCC1 CS-0208507 [0,1,0,1,0,0|1,0,1]=4 675 B9R1.21 NC[C@@H]1CC[C@H](CO)C1 CS-1057493 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.21 OCC1CCC(CO)O1 CS-0217809 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.80 CCC(O)CNC1CC1 CS-0257643 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.118 CC1(CO)CCCCN1 CS-0236420 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.118 CC1(CO)CCNCC1 CS-W003715 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.118 CCC1(C)CCCNC1 CS-0261353 [0,1,0,1,0,0|2,0,0]=4 681 B9R1.118 CCC1(C)CCCNC1 CS-0714594 [0,1,0,1,0,0|2,0,0]=4 682 B9R1.118 NC1(CO)CCCCC1 CS-0090679 [0,1,0,1,0,0|1,0,0]=3 683 B9R1.118 NC1(CO)CCNCC1 CS-0185387 [0,1,0,1,0,0|2,0,0]=4 684 B9R1.118 NC1(CO)CCOCC1 CS-0053211 [0,1,0,1,0,0|2,0,0]=4 685 B9R1.118 NCC1(F)CCCCC1 CS-0038542 [0,1,0,1,0,0|2,0,0]=4 686 B9R1.118 NCC1(O)CCCCC1 CS-0452099 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.118 OCC1(O)CCCNC1 CS-0102298 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.6 CC(=O)C1COCCO1 CS-0231443 [0,1,0,1,0,0|0,0,1]=3 689 B9R1.6 CC(C)C1CCCCN1 CS-0205454 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.6 CC(C)C1CNCCN1 CS-0070911 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.6 CC(C)C1CNCCO1 CS-0186654 [0,1,0,1,0,0|1,0,0]=3 692 B9R1.6 CC(N)C1CCCCC1 CS-0068108 [0,1,0,1,0,0|2,0,0]=4 693 B9R1.6 CC(N)C1CCCCN1 CS-0207656 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.6 CC(O)C1CCNCC1 CS-0213296 [0,1,0,1,0,0|2,0,0]=4 695 B9R1.6 C[C@@H](O)C1CCOCC1 CS-0180990 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.6 C[C@H](O)C1CCCCC1 CS-0113154 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.6 O=C(O)C1CCCCN1 CS-0043825 [0,1,0,1,0,0|1,0,1]=4 698 B9R1.6 O=C(O)C1COCCO1 CS-0067955 [0,1,0,1,0,0|1,0,1]=4 699 B9R1.6 O=C(O)[C@@H]1CCCCO1 CS-0053085 [0,1,0,1,0,0|0,0,1]=3 700 B9R1.13 CC(C)CC1CCCN1 CS-0171947 [0,1,0,1,0,0|2,0,0]=4 701 B9R1.13 CC(C)CC1CCCN1 CS-0206503 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.13 CC(O)CC1CCCN1 CS-0223629 [0,1,0,1,0,0|2,0,0]=4 703 B9R1.13 O=S(O)CC1CCCC1 CS-0950963 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.24 CCC1CNCC1(F)F CS-0753052 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.40 CC1(C)CNCCC1O CS-W019170 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.40 CC1(C)COCCC1N CS-0051616 [0,1,0,1,0,0|2,0,0]=4 707 B9R1.40 CC1CCCCC1(F)F CS-0455406 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.41 CC(C)C1CCCC1O CS-0966848 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O CS-0368703 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.84 O=C(O)COC1CCC1 CS-0183331 [0,1,0,1,0,0|0,0,1]=3 711 B9R1.84 O=C(O)COC1CNC1 CS-0188088 [0,1,0,1,0,0|1,0,1]=4 712 B9R1.85 O=C(O)CNCC1CC1 CS-0346285 [0,1,0,1,0,0|1,0,1]=4 713 B9R1.148 CC1(C)CCNCCS1 CS-0237919 [0,1,0,1,0,0|1,1,0]=4 714 B9R1.148 CC1(N)CCCCCC1 CS-0253298 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.148 CC1(O)CCCCCC1 CS-0309091 [0,1,0,1,0,0|1,0,0]=3 716 B9R1.148 CC1(O)CCCNCC1 CS-0037750 [0,1,0,1,0,0|2,0,0]=4 717 B9R1.148 FC1(F)CNCCOC1 CS-0036323 [0,1,0,1,0,0|2,0,0]=4 718 B9R2.24 BrC1C2CCC1CC2 CS-0107785 [0,0,0,2,0,0|2,0,0]=4 719 B9R2.24 [C@@H]12CO[C@@H](CN1)C2O CS-0056922 [0,0,0,2,0,0|1,0,0]=3 720 B9R2.49 C1CC2CNC1CO2 CS-0051827 [0,0,0,2,0,0|1,0,0]=3 721 B9R2.56 [C@@H]12COC[C@]1(CN)C2 CS-0961784 [0,0,0,2,0,0|2,0,0]=4 722 B9R2.65 OCC1C2COCC12 CS-0183076 [0,0,0,2,0,0|2,0,0]=4 723 B9R2.68 C1CC2CNCC1C2 CS-0217853 [0,0,0,2,0,0|2,0,0]=4 724 B9R2.123 NC1C2CCCCC12 CS-0184380 [0,0,0,2,0,0|2,0,0]=4 725 B9R2.174 C1CNC2(CC2)CN1 CS-0051090 [0,0,0,2,0,0|2,0,0]=4 726 B9R2.174 C1CNC2(CC2)CN1 CS-B0650 [0,0,0,2,0,0|2,0,0]=4 727 B9R2.39 NC1CC2CCC1C2 CS-0063906 [0,0,0,2,0,0|2,0,0]=4 728 B9R2.39 N[C@@H]1C[C@@H]2CC[C@H]1C2 CS-0526930 [0,0,0,2,0,0|2,0,0]=4 729 B9R2.39 [C@@H]12CC[C@@H](C[C@@H]1O)C2 CS-0623502 [0,0,0,2,0,0|1,0,0]=3 730 B9R2.39 [C@H]12C[C@@H](O)[C@H](CN1)C2 CS-0623047 [0,0,0,2,0,0|2,0,0]=4 731 B9R2.2 C1CC(C2CO2)CO1 CS-0237367 [0,0,0,2,0,0|2,0,0]=4 732 B9R2.3 C1CC2CNCC2C1 CS-0183365 [0,0,0,2,0,0|2,0,0]=4 733 B9R2.3 C1NCC2COCC12 CS-0054012 [0,0,0,2,0,0|2,0,0]=4 734 B9R2.3 [C@H]12CCC[C@H]1CNC2 CS-0054955 [0,0,0,2,0,0|2,0,0]=4 735 B9R2.173 C1CNC2(C1)CCC2 CS-0139248 [0,0,0,2,0,0|2,0,0]=4 736 B9R2.21 CC1CCC2OC2C1 CS-0451652 [0,0,0,2,0,0|1,0,0]=3 737 B9R2.52 C1CCC2OC2CC1 CS-0249622 [0,0,0,2,0,0|1,0,0]=3 738 B9R2.5 FC1CNCC12CC2 CS-0504492 [0,0,0,2,0,0|2,0,0]=4 739 B9R2.5 O[C@@H]1CNCC12CC2 CS-1056912 [0,0,0,2,0,0|1,0,0]=3 740 B9R2.69 C1CC1CNC2CC2 CS-0217122 [0,0,0,2,0,0|2,0,0]=4