0 B7R0.1 C#CCNCCCN CS-0523368 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 C#CCOCCNC CS-0308132 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.1 C=CCCCCCN CS-0239363 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 C=CCCCCNC CS-0158388 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.1 CC#CCCCCO CS-0232984 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.1 CCCCCCCCl CS-0204709 [0,0,0,0,0,0|2,0,0]=2 6 B7R0.1 CCCCCCCI CS-0152148 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.1 CCCCCCNO CS-1023249 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.1 CCCCNCC#N CS-0323723 [0,0,0,0,0,0|2,0,1]=3 9 B7R0.1 CCCCOCCN CS-0454484 [0,0,0,0,0,0|1,0,0]=1 10 B7R0.1 CCCC\C=C\CO CS-0185682 [0,0,0,0,0,0|1,0,1]=2 11 B7R0.1 CCCNCCCN CS-0739607 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.1 CCCNNCCC CS-0751063 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.1 CCCOCCCBr CS-0960548 [0,0,0,0,0,0|2,0,0]=2 14 B7R0.1 CCCOCCCO CS-0235577 [0,0,0,0,0,0|2,0,0]=2 15 B7R0.1 CC\C=C/CCCO CS-0185758 [0,0,0,0,0,0|1,0,2]=3 16 B7R0.1 CNCCCCCN CS-0301759 [0,0,0,0,0,0|3,0,0]=3 17 B7R0.1 COCCCCCBr CS-0261752 [0,0,0,0,0,0|3,0,0]=3 18 B7R0.1 COCCOCCCl CS-0700581 [0,0,0,0,0,0|2,0,0]=2 19 B7R0.1 COCCOCCN CS-0115789 [0,0,0,0,0,0|2,0,0]=2 20 B7R0.1 CSCCCCCO CS-0233668 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.1 ClCCSSCCCl CS-0696726 [0,0,0,0,0,0|3,1,0]=4 22 B7R0.1 FCCCCCCBr CS-0451811 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 N#CCCNCCO CS-0158481 [0,0,0,0,0,0|2,0,1]=3 24 B7R0.1 N#CCSCCCCl CS-0262544 [0,0,0,0,0,0|2,1,1]=4 25 B7R0.1 NCCCOCCO CS-0036940 [0,0,0,0,0,0|1,0,0]=1 26 B7R0.1 NCCOCCCO CS-0238974 [0,0,0,0,0,0|2,0,0]=2 27 B7R0.1 NCCOCCCO CS-0376731 [0,0,0,0,0,0|2,0,0]=2 28 B7R0.1 NCCOCCON CS-0528757 [0,0,0,0,0,0|3,0,0]=3 29 B7R0.1 OCCCCCCI CS-0511928 [0,0,0,0,0,0|2,0,0]=2 30 B6R0.6 C#CCCSCC CS-0225448 [1,0,0,0,0,0|0,1,2]=4 31 B6R0.6 C#CCSCCO CS-0215012 [1,0,0,0,0,0|0,1,2]=4 32 B6R0.6 C=CCCCCI CS-0236133 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.6 C=CCNCCO CS-0129478 [1,0,0,0,0,0|1,0,2]=4 34 B6R0.6 C=CCOCCBr CS-0215137 [1,0,0,0,0,0|1,0,2]=4 35 B6R0.6 CC#CCCCBr CS-0244909 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.6 CC#CCCCN CS-0259117 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 CC#CCCCO CS-0047308 [1,0,0,0,0,0|0,0,2]=3 38 B6R0.6 CCCCCCN CS-1055481 [1,0,0,0,0,0|1,0,0]=2 39 B6R0.6 CCCC\C=C\I CS-0752523 [1,0,0,0,0,0|1,0,2]=4 40 B6R0.6 CCCOCCBr CS-0249030 [1,0,0,0,0,0|1,0,0]=2 41 B6R0.6 CCOCCNC CS-0742450 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.6 CNCC#CCO CS-0366443 [1,0,0,0,0,0|1,0,2]=4 43 B6R0.6 CNCCCCN CS-0149907 [1,0,0,0,0,0|2,0,0]=3 44 B6R0.6 COCCCON CS-0892186 [1,0,0,0,0,0|3,0,0]=4 45 B6R0.6 CSCCCCN CS-0808415 [1,0,0,0,0,0|2,0,0]=3 46 B6R0.6 C\C=C/CCCCl CS-0622433 [1,0,0,0,0,0|1,0,2]=4 47 B6R0.6 NCCCCCS CS-0528493 [1,0,0,0,0,0|1,1,0]=3 48 B6R0.6 NCCOCCF CS-0656223 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.6 NCCSCCO CS-0214940 [1,0,0,0,0,0|1,1,0]=3 50 B8R0.1 C#CCCN(C)CCO CS-0248964 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.1 C=CCC(=O)CCCC CS-0250252 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.1 C=CCC(O)CCCC CS-0452194 [0,1,0,0,0,0|2,0,1]=4 53 B8R0.1 CCCC(=O)OCCO CS-0161345 [0,1,0,0,0,0|0,0,1]=2 54 B8R0.1 CCCCC(=O)CCC CS-0297336 [0,1,0,0,0,0|2,0,0]=3 55 B8R0.1 CCCCC(C)CCO CS-0752013 [0,1,0,0,0,0|1,0,0]=2 56 B8R0.1 COCC(=O)NCCO CS-0236163 [0,1,0,0,0,0|2,0,1]=4 57 B8R0.1 COCCC(C)CCBr CS-0257580 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.4 C#CCCCCCCCl CS-0660493 [0,1,0,0,0,0|2,0,1]=4 59 B8R0.4 C=CCCCCCCN CS-0239405 [0,1,0,0,0,0|2,0,1]=4 60 B8R0.4 CCCCCC#CCBr CS-0152339 [0,1,0,0,0,0|2,0,1]=4 61 B8R0.4 CCCCCCCCF CS-0204338 [0,1,0,0,0,0|2,0,0]=3 62 B8R0.4 CCCCCCCC[NH3+] CS-0214077 [0,1,0,0,0,0|2,0,0]=3 63 B8R0.4 CCCCNCCC#N CS-0206432 [0,1,0,0,0,0|2,0,0]=3 64 B8R0.4 CCCCNCCCC CS-0361244 [0,1,0,0,0,0|2,0,0]=3 65 B8R0.4 CCCCNCCCO CS-0232004 [0,1,0,0,0,0|1,0,0]=2 66 B8R0.4 CCCC[NH2+]CCCC CS-0745277 [0,1,0,0,0,0|2,0,0]=3 67 B8R0.4 CCOCCOCCN CS-0973780 [0,1,0,0,0,0|1,0,0]=2 68 B8R0.4 CNCCCCCCN CS-0245393 [0,1,0,0,0,0|2,0,0]=3 69 B8R0.4 CNCCCCCCO CS-0666233 [0,1,0,0,0,0|1,0,0]=2 70 B8R0.4 CNCCOCCNC CS-0301779 [0,1,0,0,0,0|2,0,0]=3 71 B8R0.4 COCCCCCCN CS-0237509 [0,1,0,0,0,0|2,0,0]=3 72 B8R0.4 COCCOCCC#N CS-0209786 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.4 COCCOCCCN CS-0150163 [0,1,0,0,0,0|1,0,0]=2 74 B8R0.4 CSCCCCCCN CS-0233303 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.4 ClCCCCCCCBr CS-0466169 [0,1,0,0,0,0|2,0,0]=3 76 B8R0.4 NCCCCCCCBr CS-0698399 [0,1,0,0,0,0|2,0,0]=3 77 B8R0.4 [N-]=[N+]=NCCOCCN CS-0567265 [0,1,0,0,0,0|3,0,0]=4 78 B8R0.4 [N-]=[N+]=NCCOCCO CS-0644778 [0,1,0,0,0,0|2,0,0]=3 79 B8R0.6 C#C[C@@H](O)CCCCC CS-0204536 [0,1,0,0,0,0|2,0,1]=4 80 B8R0.6 C=CCOCC(O)CO CS-0130745 [0,1,0,0,0,0|2,0,1]=4 81 B8R0.6 CCC(C)CCCCO CS-0831637 [0,1,0,0,0,0|1,0,0]=2 82 B8R0.6 CCCCCC(=O)CBr CS-0186323 [0,1,0,0,0,0|2,0,1]=4 83 B8R0.6 CCCCCC(O)CO CS-0205339 [0,1,0,0,0,0|1,0,0]=2 84 B8R0.6 CCCCNC(=O)CN CS-0667514 [0,1,0,0,0,0|2,0,1]=4 85 B8R0.6 CNC(=O)COCCN CS-0232202 [0,1,0,0,0,0|2,0,1]=4 86 B8R0.6 COC(=O)CSCCO CS-0256430 [0,1,0,0,0,0|1,1,1]=4 87 B8R0.6 COCCCC(C)CBr CS-0257579 [0,1,0,0,0,0|3,0,0]=4 88 B8R0.7 CC(=O)CCCCCBr CS-0648586 [0,1,0,0,0,0|2,0,1]=4 89 B8R0.7 CC(C)COCCCO CS-0264507 [0,1,0,0,0,0|2,0,0]=3 90 B8R0.7 CC(C)OCCCCO CS-0237374 [0,1,0,0,0,0|2,0,0]=3 91 B8R0.7 CCCCC#CC(=O)O CS-0297331 [0,1,0,0,0,0|1,0,2]=4 92 B8R0.7 CCCCCCC(C)N CS-0454973 [0,1,0,0,0,0|2,0,0]=3 93 B8R0.7 CCCCCCC(N)=O CS-0361631 [0,1,0,0,0,0|1,0,2]=4 94 B8R0.7 CCCOCCC(=O)O CS-0489295 [0,1,0,0,0,0|2,0,1]=4 95 B8R0.7 CN(C)CCCCCO CS-0264623 [0,1,0,0,0,0|2,0,0]=3 96 B8R0.7 CN(C)CCOCCCl CS-0222598 [0,1,0,0,0,0|2,0,0]=3 97 B8R0.7 COCCCCB(O)O CS-0177304 [0,1,0,0,0,0|3,0,0]=4 98 B8R0.7 COCCNCC(F)F CS-0253473 [0,1,0,0,0,0|3,0,0]=4 99 B8R0.7 COCCOCC(C)N CS-0263320 [0,1,0,0,0,0|2,0,0]=3 100 B8R0.7 COCCOCC(C)O CS-0234032 [0,1,0,0,0,0|1,0,0]=2 101 B8R0.7 NCCCOCC(F)F CS-0231314 [0,1,0,0,0,0|2,0,0]=3 102 B8R0.7 O=C(O)COCCCBr CS-0852023 [0,1,0,0,0,0|1,0,1]=3 103 B8R1.2 BrCC1=CCCCC1 CS-0052833 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.2 BrCC1CCCNC1 CS-0112575 [0,0,0,1,0,0|3,0,0]=4 105 B8R1.2 BrCC1CCCOC1 CS-D0475 [0,0,0,1,0,0|2,0,0]=3 106 B8R1.2 BrCC1CCNCC1 CS-0466101 [0,0,0,1,0,0|3,0,0]=4 107 B8R1.2 C#CC1CCCCO1 CS-0216262 [0,0,0,1,0,0|1,0,1]=3 108 B8R1.2 C#CC1CCCOC1 CS-0054677 [0,0,0,1,0,0|1,0,2]=4 109 B8R1.2 C#CC1COCCN1 CS-0377036 [0,0,0,1,0,0|1,0,2]=4 110 B8R1.2 CCC1CNCCN1 CS-0665316 [0,0,0,1,0,0|2,0,0]=3 111 B8R1.2 CC[C@@H]1CCCCN1 CS-0153926 [0,0,0,1,0,0|2,0,0]=3 112 B8R1.2 CC[C@H]1CNCCO1 CS-0094360 [0,0,0,1,0,0|1,0,0]=2 113 B8R1.2 CN[C@@H]1CCCOC1 CS-0753047 [0,0,0,1,0,0|2,0,0]=3 114 B8R1.2 CN[C@H]1CCCOC1 CS-0759312 [0,0,0,1,0,0|2,0,0]=3 115 B8R1.2 COC1CNCCO1 CS-0231487 [0,0,0,1,0,0|2,0,0]=3 116 B8R1.2 CO[C@H]1CCCNC1 CS-0053773 [0,0,0,1,0,0|3,0,0]=4 117 B8R1.2 ClCC1CCCOC1 CS-0257569 [0,0,0,1,0,0|2,0,0]=3 118 B8R1.2 ClCC1COCCO1 CS-0308903 [0,0,0,1,0,0|1,0,0]=2 119 B8R1.2 FCC1CCCCN1 CS-0055507 [0,0,0,1,0,0|2,0,0]=3 120 B8R1.2 FC[C@@H]1CCCCN1 CS-0055508 [0,0,0,1,0,0|2,0,0]=3 121 B8R1.2 ICC1CCCOC1 CS-0490610 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.2 N#CC1CCCCO1 CS-0047273 [0,0,0,1,0,0|1,0,1]=3 123 B8R1.2 N#CC1COCCN1 CS-0377056 [0,0,0,1,0,0|2,0,1]=4 124 B8R1.2 N#CC1COCCO1 CS-0358046 [0,0,0,1,0,0|1,0,1]=3 125 B8R1.2 N#CC1CSCCO1 CS-0230155 [0,0,0,1,0,0|1,1,1]=4 126 B8R1.2 N#C[C@@H]1CCCCN1 CS-0049775 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.2 N#C[C@H]1CCCCN1 CS-0782257 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.2 NCC1=CCCCC1 CS-0663244 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.2 NCC1=COCCO1 CS-0286165 [0,0,0,1,0,0|1,0,2]=4 130 B8R1.2 NCC1CCCOC1 CS-0183335 [0,0,0,1,0,0|2,0,0]=3 131 B8R1.2 NCC1CCOCO1 CS-0222075 [0,0,0,1,0,0|2,0,0]=3 132 B8R1.2 NCC1COCCO1 CS-0139722 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.2 NCC1CSCCN1 CS-0482214 [0,0,0,1,0,0|2,1,0]=4 134 B8R1.2 NCC1CSCCS1 CS-0230239 [0,0,0,1,0,0|1,2,0]=4 135 B8R1.2 NC[C@@H]1CCCCO1 CS-0505550 [0,0,0,1,0,0|1,0,0]=2 136 B8R1.2 NC[C@@H]1CCCOC1 CS-0053040 [0,0,0,1,0,0|2,0,0]=3 137 B8R1.2 NC[C@H]1CCCCO1 CS-0505548 [0,0,0,1,0,0|1,0,0]=2 138 B8R1.2 NNC1CCCCC1 CS-0454559 [0,0,0,1,0,0|3,0,0]=4 139 B8R1.2 NOC1CCCCC1 CS-0210389 [0,0,0,1,0,0|3,0,0]=4 140 B8R1.2 OCC1=CCCOC1 CS-0250417 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.2 OCC1=COCCO1 CS-0355043 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.2 OCC1C=CCCC1 CS-0236598 [0,0,0,1,0,0|1,0,1]=3 143 B8R1.2 OCC1CCCCS1 CS-0231221 [0,0,0,1,0,0|0,1,0]=2 144 B8R1.2 OCC1CCCNC1 CS-0210714 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.2 OC[C@@H]1CCCCO1 CS-0136660 [0,0,0,1,0,0|0,0,0]=1 146 B8R1.2 OC[C@@H]1COCCO1 CS-0962537 [0,0,0,1,0,0|1,0,0]=2 147 B8R1.2 OC[C@H]1CCCCO1 CS-0185314 [0,0,0,1,0,0|0,0,0]=1 148 B8R1.2 OC[C@H]1CCCOC1 CS-0185312 [0,0,0,1,0,0|2,0,0]=3 149 B8R1.5 CC1CCCCC1Br CS-0223260 [0,0,0,1,0,0|2,0,0]=3 150 B8R1.5 CC1CCNCC1O CS-0050806 [0,0,0,1,0,0|1,0,0]=2 151 B8R1.5 CC1COCCC1N CS-D0213 [0,0,0,1,0,0|2,0,0]=3 152 B8R1.5 C[C@@H]1CCCC[C@H]1N CS-0782234 [0,0,0,1,0,0|2,0,0]=3 153 B8R1.5 C[C@@H]1CCCC[C@H]1O CS-0256393 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.5 C[C@@H]1CNCC[C@@H]1O CS-0503480 [0,0,0,1,0,0|2,0,0]=3 155 B8R1.5 C[C@H]1CCCC[C@@H]1N CS-0310258 [0,0,0,1,0,0|2,0,0]=3 156 B8R1.5 C[C@H]1CCCC[C@@H]1O CS-0256400 [0,0,0,1,0,0|1,0,0]=2 157 B8R1.5 C[C@H]1CCCC[C@H]1C CS-0158164 [0,0,0,1,0,0|2,0,0]=3 158 B8R1.5 C[C@H]1CCCC[C@H]1O CS-0343026 [0,0,0,1,0,0|1,0,0]=2 159 B8R1.5 C[C@H]1CCNC[C@@H]1O CS-0036436 [0,0,0,1,0,0|1,0,0]=2 160 B8R1.5 C[C@H]1CNCC[C@@H]1O CS-0906736 [0,0,0,1,0,0|2,0,0]=3 161 B8R1.5 C[C@H]1COCC[C@@H]1N CS-0047776 [0,0,0,1,0,0|2,0,0]=3 162 B8R1.5 C[C@H]1COCC[C@H]1N CS-0309721 [0,0,0,1,0,0|2,0,0]=3 163 B8R1.5 F[C@H]1CCNC[C@@H]1F CS-0054840 [0,0,0,1,0,0|3,0,0]=4 164 B8R1.5 F[C@H]1CCNC[C@H]1F CS-0049725 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.5 NC1CCCCC1Cl CS-0221829 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.5 NC1CCOCC1O CS-0104804 [0,0,0,1,0,0|1,0,0]=2 167 B8R1.5 N[C@@H]1CCCC[C@@H]1F CS-0184250 [0,0,0,1,0,0|3,0,0]=4 168 B8R1.5 N[C@@H]1CCCC[C@H]1F CS-0058722 [0,0,0,1,0,0|3,0,0]=4 169 B8R1.5 N[C@@H]1CCOC[C@@H]1F CS-0058693 [0,0,0,1,0,0|2,0,0]=3 170 B8R1.5 N[C@@H]1CCOC[C@H]1F CS-0053241 [0,0,0,1,0,0|2,0,0]=3 171 B8R1.5 N[C@@H]1CCOC[C@H]1O CS-0029597 [0,0,0,1,0,0|1,0,0]=2 172 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0029590 [0,0,0,1,0,0|2,0,0]=3 173 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0058644 [0,0,0,1,0,0|2,0,0]=3 174 B8R1.5 N[C@@H]1COCC[C@@H]1O CS-0184483 [0,0,0,1,0,0|2,0,0]=3 175 B8R1.5 N[C@@H]1COCC[C@H]1F CS-0505931 [0,0,0,1,0,0|2,0,0]=3 176 B8R1.5 N[C@H]1CCCC[C@H]1F CS-0309450 [0,0,0,1,0,0|3,0,0]=4 177 B8R1.5 N[C@H]1CCCC[C@H]1O CS-0655689 [0,0,0,1,0,0|2,0,0]=3 178 B8R1.5 N[C@H]1CCOC[C@@H]1F CS-0058691 [0,0,0,1,0,0|2,0,0]=3 179 B8R1.5 O=C1CCOCC1Cl CS-0340573 [0,0,0,1,0,0|2,0,1]=4 180 B8R1.5 OC1CCCCC1F CS-0205461 [0,0,0,1,0,0|2,0,0]=3 181 B8R1.5 O[C@@H]1CCNC[C@@H]1F CS-0102297 [0,0,0,1,0,0|3,0,0]=4 182 B8R1.5 O[C@@H]1CCNC[C@H]1F CS-0021964 [0,0,0,1,0,0|3,0,0]=4 183 B8R1.5 O[C@@H]1CCOC[C@@H]1F CS-0058688 [0,0,0,1,0,0|2,0,0]=3 184 B8R1.5 O[C@H]1CCCC[C@@H]1O CS-0180922 [0,0,0,1,0,0|2,0,0]=3 185 B8R1.5 O[C@H]1CCNC[C@@H]1F CS-0021965 [0,0,0,1,0,0|3,0,0]=4 186 B8R1.5 O[C@H]1CCNC[C@@H]1F CS-0035996 [0,0,0,1,0,0|3,0,0]=4 187 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0021967 [0,0,0,1,0,0|3,0,0]=4 188 B8R1.5 O[C@H]1CCNC[C@H]1F CS-0039754 [0,0,0,1,0,0|3,0,0]=4 189 B8R1.5 O[C@H]1CCOC[C@@H]1F CS-0172852 [0,0,0,1,0,0|2,0,0]=3 190 B8R1.8 BrCCC1CCOC1 CS-0240277 [0,0,0,1,0,0|3,0,0]=4 191 B8R1.8 CNCC1CCCC1 CS-0252315 [0,0,0,1,0,0|3,0,0]=4 192 B8R1.8 CNCC1CCCO1 CS-0145099 [0,0,0,1,0,0|2,0,0]=3 193 B8R1.8 CNCC1CCCS1 CS-0247457 [0,0,0,1,0,0|2,1,0]=4 194 B8R1.8 COCC1CCCN1 CS-0210541 [0,0,0,1,0,0|3,0,0]=4 195 B8R1.8 COC[C@@H]1CCCN1 CS-0199813 [0,0,0,1,0,0|3,0,0]=4 196 B8R1.8 ClCCC1CCCC1 CS-0466562 [0,0,0,1,0,0|2,0,0]=3 197 B8R1.8 ClCOC1CCCC1 CS-0239460 [0,0,0,1,0,0|3,0,0]=4 198 B8R1.8 N#CCC1OCCO1 CS-0439141 [0,0,0,1,0,0|1,0,1]=3 199 B8R1.8 NCCC1=CCCC1 CS-0223851 [0,0,0,1,0,0|2,0,1]=4 200 B8R1.8 NCCC1CCOC1 CS-0309773 [0,0,0,1,0,0|3,0,0]=4 201 B8R1.8 OCCC1CCCN1 CS-0051801 [0,0,0,1,0,0|2,0,0]=3 202 B8R1.8 OCCC1CCCN1 CS-0068093 [0,0,0,1,0,0|2,0,0]=3 203 B8R1.8 OCCC1OCCO1 CS-0217470 [0,0,0,1,0,0|1,0,0]=2 204 B8R1.9 CC1CC1NCCO CS-0248966 [0,0,0,1,0,0|1,0,0]=2 205 B8R1.10 BrCCOC1CCC1 CS-0239434 [0,0,0,1,0,0|1,0,0]=2 206 B8R1.10 CCCOC1CNC1 CS-0461164 [0,0,0,1,0,0|2,0,0]=3 207 B8R1.10 ClCCOC1CCC1 CS-0231376 [0,0,0,1,0,0|1,0,0]=2 208 B8R1.10 FCCOC1CNC1 CS-0243722 [0,0,0,1,0,0|2,0,0]=3 209 B8R1.10 NCCOC1CCC1 CS-0264601 [0,0,0,1,0,0|1,0,0]=2 210 B8R1.10 OCCCC1CNC1 CS-0309712 [0,0,0,1,0,0|2,0,0]=3 211 B8R1.10 OCCCC1COC1 CS-0183077 [0,0,0,1,0,0|2,0,0]=3 212 B8R1.10 OCCOC1CCC1 CS-0222004 [0,0,0,1,0,0|0,0,0]=1 213 B8R1.11 C#CC1CCCC1O CS-0449997 [0,0,0,1,0,0|1,0,2]=4 214 B8R1.11 C#C[C@@H]1CCC[C@H]1O CS-0525036 [0,0,0,1,0,0|1,0,2]=4 215 B8R1.11 CC1CCCC1CN CS-0235012 [0,0,0,1,0,0|2,0,0]=3 216 B8R1.11 CC1CCNC1CO CS-0236300 [0,0,0,1,0,0|1,0,0]=2 217 B8R1.11 CC1CCOC1CO CS-0623290 [0,0,0,1,0,0|0,0,0]=1 218 B8R1.11 CC1COCC1CCl CS-0199795 [0,0,0,1,0,0|2,0,0]=3 219 B8R1.11 CC1COCC1CO CS-0199773 [0,0,0,1,0,0|2,0,0]=3 220 B8R1.11 CC1OCCC1CBr CS-0238984 [0,0,0,1,0,0|3,0,0]=4 221 B8R1.11 CCC1CCNC1C CS-0235164 [0,0,0,1,0,0|3,0,0]=4 222 B8R1.11 CCC1CNCC1O CS-0224680 [0,0,0,1,0,0|1,0,0]=2 223 B8R1.11 CN1CCCC1CBr CS-0208884 [0,0,0,1,0,0|3,0,0]=4 224 B8R1.11 CN[C@@H]1CCC[C@@H]1O CS-0310334 [0,0,0,1,0,0|2,0,0]=3 225 B8R1.11 CN[C@@H]1CCC[C@H]1O CS-0782269 [0,0,0,1,0,0|2,0,0]=3 226 B8R1.11 CN[C@H]1CCC[C@H]1O CS-0309651 [0,0,0,1,0,0|2,0,0]=3 227 B8R1.11 COC1COCC1=O CS-0590200 [0,0,0,1,0,0|1,0,2]=4 228 B8R1.11 CO[C@@H]1CCC[C@@H]1N CS-0172826 [0,0,0,1,0,0|3,0,0]=4 229 B8R1.11 CO[C@@H]1CNC[C@@H]1O CS-0053237 [0,0,0,1,0,0|2,0,0]=3 230 B8R1.11 CO[C@@H]1CNC[C@H]1O CS-0368617 [0,0,0,1,0,0|2,0,0]=3 231 B8R1.11 CO[C@@H]1COC[C@H]1N CS-0657402 [0,0,0,1,0,0|2,0,0]=3 232 B8R1.11 CO[C@H]1CCC[C@@H]1N CS-0305937 [0,0,0,1,0,0|3,0,0]=4 233 B8R1.11 CO[C@H]1CCC[C@H]1N CS-0184253 [0,0,0,1,0,0|3,0,0]=4 234 B8R1.11 CO[C@H]1CNC[C@@H]1F CS-0047756 [0,0,0,1,0,0|3,0,0]=4 235 B8R1.11 CO[C@H]1CNC[C@@H]1F CS-0782293 [0,0,0,1,0,0|3,0,0]=4 236 B8R1.11 CO[C@H]1CNC[C@@H]1O CS-0469952 [0,0,0,1,0,0|2,0,0]=3 237 B8R1.11 CO[C@H]1CNC[C@H]1F CS-0036147 [0,0,0,1,0,0|3,0,0]=4 238 B8R1.11 CO[C@H]1CNC[C@H]1O CS-0055739 [0,0,0,1,0,0|2,0,0]=3 239 B8R1.11 CSC1CCCC1N CS-0264089 [0,0,0,1,0,0|3,0,0]=4 240 B8R1.11 C[C@H]1CNC[C@@H]1CO CS-W021186 [0,0,0,1,0,0|2,0,0]=3 241 B8R1.11 C[C@H]1OCC[C@H]1CO CS-0037749 [0,0,0,1,0,0|2,0,0]=3 242 B8R1.11 N#C[C@@H]1COC[C@H]1O CS-0781900 [0,0,0,1,0,0|1,0,1]=3 243 B8R1.11 NC1COCC1CO CS-0725617 [0,0,0,1,0,0|2,0,0]=3 244 B8R1.11 NCC1CCCC1N CS-0486203 [0,0,0,1,0,0|3,0,0]=4 245 B8R1.11 NC[C@@H]1COC[C@@H]1O CS-0049693 [0,0,0,1,0,0|1,0,0]=2 246 B8R1.11 OC[C@H]1NCC[C@@H]1O CS-0467460 [0,0,0,1,0,0|2,0,0]=3 247 B8R1.13 COC[C@@H]1CC[C@H]1N CS-0309919 [0,0,0,1,0,0|3,0,0]=4 248 B8R1.13 O=C1CCC1CCO CS-0474220 [0,0,0,1,0,0|2,0,1]=4 249 B8R1.22 BrC1CCCOCC1 CS-0252969 [0,0,0,1,0,0|2,0,0]=3 250 B8R1.22 CC1CCCCCN1 CS-0283284 [0,0,0,1,0,0|2,0,0]=3 251 B8R1.22 CC1CCNCCN1 CS-W022406 [0,0,0,1,0,0|2,0,0]=3 252 B8R1.22 CC1CCOCCN1 CS-0197639 [0,0,0,1,0,0|1,0,0]=2 253 B8R1.22 CC1CCOCCN1 CS-0528792 [0,0,0,1,0,0|1,0,0]=2 254 B8R1.22 CC1CNCCCO1 CS-0038165 [0,0,0,1,0,0|2,0,0]=3 255 B8R1.22 CC1CNCCCO1 CS-0376799 [0,0,0,1,0,0|2,0,0]=3 256 B8R1.22 CC1CNCCNC1 CS-0070493 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.22 CC1CNCCOC1 CS-0443259 [0,0,0,1,0,0|2,0,0]=3 258 B8R1.22 CC1COCCCN1 CS-0308295 [0,0,0,1,0,0|2,0,0]=3 259 B8R1.22 C[C@@H]1CCCCCN1 CS-0310322 [0,0,0,1,0,0|2,0,0]=3 260 B8R1.22 C[C@H]1CCCCCN1 CS-0310323 [0,0,0,1,0,0|2,0,0]=3 261 B8R1.22 FC1CNCCOC1 CS-0802793 [0,0,0,1,0,0|2,0,0]=3 262 B8R1.22 F[C@H]1CCCCNC1 CS-0494405 [0,0,0,1,0,0|2,0,0]=3 263 B8R1.22 NC1CCCOCC1 CS-0136869 [0,0,0,1,0,0|2,0,0]=3 264 B8R1.22 NC1CNCCNC1 CS-0696934 [0,0,0,1,0,0|3,0,0]=4 265 B8R1.22 NC1CNCCOC1 CS-0506029 [0,0,0,1,0,0|2,0,0]=3 266 B8R1.22 O=C1CNCCOC1 CS-0505955 [0,0,0,1,0,0|1,0,2]=4 267 B8R1.22 OC1CCCCNC1 CS-0342050 [0,0,0,1,0,0|1,0,0]=2 268 B8R1.22 OC1CCCOCC1 CS-0136871 [0,0,0,1,0,0|2,0,0]=3 269 B8R1.22 OC1CNCCNC1 CS-0183774 [0,0,0,1,0,0|2,0,0]=3 270 B8R1.22 OC1CNCCNC1 CS-0185374 [0,0,0,1,0,0|2,0,0]=3 271 B8R1.22 OC1CNCCOC1 CS-0215333 [0,0,0,1,0,0|1,0,0]=2 272 B8R1.22 O[C@@H]1CCCCNC1 CS-0491086 [0,0,0,1,0,0|1,0,0]=2 273 B8R1.22 O[C@H]1CCCNCC1 CS-0492739 [0,0,0,1,0,0|2,0,0]=3 274 B8R1.36 BrCCOCC1CC1 CS-0262839 [0,0,0,1,0,0|1,0,0]=2 275 B8R1.36 C#CCNCC1CC1 CS-0223852 [0,0,0,1,0,0|2,0,1]=4 276 B8R1.36 CCNCCC1CC1 CS-0233825 [0,0,0,1,0,0|3,0,0]=4 277 B8R1.36 ClCCCCC1CO1 CS-0971025 [0,0,0,1,0,0|2,0,0]=3 278 B8R1.36 OCCNCC1CC1 CS-0454122 [0,0,0,1,0,0|1,0,0]=2 279 B8R1.49 C1CCOCCNC1 CS-0452743 [0,0,0,1,0,0|1,0,0]=2 280 B8R1.49 C1CNCCCNC1 CS-0664725 [0,0,0,1,0,0|3,0,0]=4 281 B8R1.49 C1COCOCCN1 CS-0231368 [0,0,0,1,0,0|2,0,0]=3 282 B5R0.2 CCCCCN CS-0214107 [2,0,0,0,0,0|1,0,0]=3 283 B5R0.2 CCCCCN CS-0468686 [2,0,0,0,0,0|1,0,0]=3 284 B5R0.2 CCNCCCl CS-0072216 [2,0,0,0,0,0|2,0,0]=4 285 B5R0.2 CCSCCN CS-0140655 [2,0,0,0,0,0|1,1,0]=4 286 B5R0.2 CC[Se][Se]CC CS-0331556 [2,0,0,0,0,0|1,1,0]=4 287 B5R0.2 CNCCCBr CS-0775766 [2,0,0,0,0,0|2,0,0]=4 288 B5R0.2 CNCCSC CS-0039272 [2,0,0,0,0,0|1,1,0]=4 289 B5R0.2 CNCCSC CS-0713670 [2,0,0,0,0,0|1,1,0]=4 290 B5R0.2 COCCON CS-0183776 [2,0,0,0,0,0|2,0,0]=4 291 B5R0.2 CSCCCCl CS-0307998 [2,0,0,0,0,0|1,1,0]=4 292 B5R0.2 NNCCCO CS-0742218 [2,0,0,0,0,0|2,0,0]=4 293 B5R0.2 NOCCCS CS-0308423 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.3 C=CC(O)CCCC CS-0452940 [1,1,0,0,0,0|1,0,1]=4 295 B7R0.3 CC#CCC(O)CC CS-0328395 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.3 CC(CN)CCCN CS-0168135 [1,1,0,0,0,0|2,0,0]=4 297 B7R0.3 CC(CO)CCCN CS-0224450 [1,1,0,0,0,0|1,0,0]=3 298 B7R0.3 CCC(=O)CCCCl CS-0233711 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.3 CCC(=O)OCCO CS-0516698 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.3 CCC(N)CCCO CS-0236618 [1,1,0,0,0,0|0,0,0]=2 301 B7R0.3 CCC(O)CCCN CS-0263098 [1,1,0,0,0,0|1,0,0]=3 302 B7R0.3 CCC(O)CCCN CS-1026727 [1,1,0,0,0,0|1,0,0]=3 303 B7R0.3 CCCCC(=O)CCl CS-0233424 [1,1,0,0,0,0|1,0,1]=4 304 B7R0.3 CCCCC(Br)CBr CS-0297339 [1,1,0,0,0,0|1,0,0]=3 305 B7R0.3 CCCCC(Cl)C#N CS-0231916 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.3 CCCCC(N)CO CS-0091368 [1,1,0,0,0,0|0,0,0]=2 307 B7R0.3 CCCNC(=O)CC CS-0225875 [1,1,0,0,0,0|2,0,0]=4 308 B7R0.3 CCCNC(C)CO CS-0450070 [1,1,0,0,0,0|1,0,0]=3 309 B7R0.3 CCCOC(C)CN CS-0365085 [1,1,0,0,0,0|1,0,0]=3 310 B7R0.3 CCNCC(O)CC CS-0669943 [1,1,0,0,0,0|1,0,0]=3 311 B7R0.3 CCSCC(C)NC CS-0264994 [1,1,0,0,0,0|1,1,0]=4 312 B7R0.3 CNC(=O)CCCO CS-0360420 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.3 COCCC(N)CO CS-0106481 [1,1,0,0,0,0|1,0,0]=3 314 B7R0.3 CSCCC(N)CO CS-0091223 [1,1,0,0,0,0|1,0,0]=3 315 B7R0.3 CSCCC(O)CN CS-0075038 [1,1,0,0,0,0|2,0,0]=4 316 B7R0.3 NCC(Cl)CCCCl CS-0319681 [1,1,0,0,0,0|2,0,0]=4 317 B7R0.3 OC(CCl)CCCCl CS-0224667 [1,1,0,0,0,0|2,0,0]=4 318 B7R0.4 C#CCCCC(C)O CS-0243899 [1,1,0,0,0,0|0,0,2]=4 319 B7R0.4 C=CCCCC(C)O CS-0231877 [1,1,0,0,0,0|0,0,2]=4 320 B7R0.4 CC(=O)CCCCBr CS-0155060 [1,1,0,0,0,0|1,0,1]=4 321 B7R0.4 CC(Br)CCCCO CS-0902597 [1,1,0,0,0,0|0,0,0]=2 322 B7R0.4 CC(C)CCCCN CS-0262512 [1,1,0,0,0,0|1,0,0]=3 323 B7R0.4 CC(C)CNCCO CS-0961264 [1,1,0,0,0,0|1,0,0]=3 324 B7R0.4 CC(C)COCCO CS-0308916 [1,1,0,0,0,0|0,0,0]=2 325 B7R0.4 CC(C)NCCCO CS-0715621 [1,1,0,0,0,0|1,0,0]=3 326 B7R0.4 CC(C)OCCCO CS-0258072 [1,1,0,0,0,0|1,0,0]=3 327 B7R0.4 CC(C)SCCCN CS-0365787 [1,1,0,0,0,0|1,1,0]=4 328 B7R0.4 CCCCSC(C)=O CS-0330240 [1,1,0,0,0,0|0,1,1]=4 329 B7R0.4 CCCNCC(=O)O CS-0297938 [1,1,0,0,0,0|1,0,1]=4 330 B7R0.4 CCCNCC(F)F CS-0075467 [1,1,0,0,0,0|2,0,0]=4 331 B7R0.4 CCOCCC(C)=O CS-0622377 [1,1,0,0,0,0|0,0,1]=3 332 B7R0.4 CN(C)CCCCBr CS-0263668 [1,1,0,0,0,0|2,0,0]=4 333 B7R0.4 CNCCCC(C)O CS-0242809 [1,1,0,0,0,0|1,0,0]=3 334 B7R0.4 COCCCB(O)O CS-0234676 [1,1,0,0,0,0|2,0,0]=4 335 B7R0.4 CONCCC(C)C CS-0222126 [1,1,0,0,0,0|2,0,0]=4 336 B7R0.4 NCCCCC(=O)O CS-0214080 [1,1,0,0,0,0|1,0,1]=4 337 B7R0.4 NCCCOC(F)F CS-0638895 [1,1,0,0,0,0|2,0,0]=4 338 B7R0.4 O=C(O)CCCCO CS-W022392 [1,1,0,0,0,0|1,0,1]=4 339 B7R0.7 CCCC(=N)OCC CS-0124516 [1,1,0,0,0,0|0,0,1]=3 340 B7R0.7 CCCC(C)CCO CS-0216041 [1,1,0,0,0,0|0,0,0]=2 341 B7R0.7 CCCC(N)CCC CS-0206199 [1,1,0,0,0,0|1,0,0]=3 342 B7R0.7 CCCC(O)CCN CS-0241763 [1,1,0,0,0,0|1,0,0]=3 343 B7R0.7 CCCC(O)CNC CS-0237618 [1,1,0,0,0,0|2,0,0]=4 344 B7R0.7 CCC\C(C)=C\CO CS-0258444 [1,1,0,0,0,0|0,0,2]=4 345 B7R0.7 CCOC(=O)CCN CS-0343396 [1,1,0,0,0,0|1,0,1]=4 346 B7R0.7 CCOC(C)CCO CS-0523568 [1,1,0,0,0,0|1,0,0]=3 347 B7R0.7 CN(CCO)CCO CS-0510507 [1,1,0,0,0,0|2,0,0]=4 348 B7R0.7 CNCC(C)CCO CS-0239160 [1,1,0,0,0,0|1,0,0]=3 349 B7R0.7 COCC(N)CCO CS-0217710 [1,1,0,0,0,0|1,0,0]=3 350 B7R0.7 CSCC(N)CCO CS-0262815 [1,1,0,0,0,0|1,0,0]=3 351 B7R0.7 O=C(CCO)CCO CS-0139423 [1,1,0,0,0,0|1,0,1]=4 352 B9R0.4 CC(C)CC(C)CCCO CS-0539593 [0,2,0,0,0,0|1,0,0]=3 353 B9R0.4 CCCCC(=O)CC(C)C CS-0207487 [0,2,0,0,0,0|2,0,0]=4 354 B9R0.4 CCCCN(C)CC(C)N CS-0239601 [0,2,0,0,0,0|2,0,0]=4 355 B9R0.5 C=CCC(O)CCCCC CS-0358223 [0,2,0,0,0,0|2,0,0]=4 356 B9R0.5 CCCCNC(=O)CCC CS-0221888 [0,2,0,0,0,0|2,0,0]=4 357 B9R0.5 COCCCN(C)CCN CS-0263351 [0,2,0,0,0,0|2,0,0]=4 358 B9R0.8 CCC(C)C(C)NCCO CS-0235952 [0,2,0,0,0,0|1,0,0]=3 359 B9R0.8 CCN(C)C(=O)OCCO CS-0249419 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.18 COCCN(C)CCCN CS-0248143 [0,2,0,0,0,0|2,0,0]=4 361 B9R0.18 O=C(CCCO)NCCO CS-0083610 [0,2,0,0,0,0|1,0,1]=4 362 B9R0.40 CCCCC(CN)CCC CS-0230441 [0,2,0,0,0,0|2,0,0]=4 363 B9R0.2 C=C(C)CCCCCCC CS-0450639 [0,2,0,0,0,0|2,0,0]=4 364 B9R0.2 CC(=O)OCCOCCCl CS-0196781 [0,2,0,0,0,0|1,0,1]=4 365 B9R0.2 CC(O)COCC#CCO CS-0731966 [0,2,0,0,0,0|0,0,2]=4 366 B9R0.2 CCCCOCCC(=O)O CS-0098419 [0,2,0,0,0,0|0,0,0]=2 367 B9R0.2 CCCC\C=C\CC(=O)O CS-0160238 [0,2,0,0,0,0|1,0,1]=4 368 B9R0.2 CCOCCCCC(=O)O CS-0757873 [0,2,0,0,0,0|1,0,1]=4 369 B9R0.2 CCOCCOCC(C)O CS-0263904 [0,2,0,0,0,0|0,0,0]=2 370 B9R0.2 CN(C)CCCCCCN CS-0214706 [0,2,0,0,0,0|2,0,0]=4 371 B9R0.2 CN(C)CCCNCCN CS-0258639 [0,2,0,0,0,0|2,0,0]=4 372 B9R0.2 CNCCCCCC(=O)O CS-0432651 [0,2,0,0,0,0|1,0,1]=4 373 B9R0.2 COCCCOCC(=O)O CS-0231896 [0,2,0,0,0,0|0,0,1]=3 374 B9R0.2 NC(=O)NCCOCCO CS-0242506 [0,2,0,0,0,0|1,0,1]=4 375 B9R0.2 O=C(O)CCCNCCO CS-0236766 [0,2,0,0,0,0|1,0,1]=4 376 B9R0.2 O=C(O)CNCCCCO CS-0318442 [0,2,0,0,0,0|1,0,1]=4 377 B9R0.45 C#CCOCCOCCI CS-0617893 [0,2,0,0,0,0|1,0,1]=4 378 B9R0.45 C=CCCCCCCCCl CS-0187294 [0,2,0,0,0,0|2,0,0]=4 379 B9R0.45 CC#CCCCCCCC CS-0213303 [0,2,0,0,0,0|2,0,0]=4 380 B9R0.45 CCCC#CCCCCC CS-0660331 [0,2,0,0,0,0|2,0,0]=4 381 B9R0.45 CCCCCCCCC#N CS-0204913 [0,2,0,0,0,0|2,0,0]=4 382 B9R0.45 CCCCCCCCCCl CS-0198808 [0,2,0,0,0,0|2,0,0]=4 383 B9R0.45 CCCCCCNCCN CS-0341400 [0,2,0,0,0,0|2,0,0]=4 384 B9R0.45 CCCCC\C=C/CCO CS-0185562 [0,2,0,0,0,0|1,0,0]=3 385 B9R0.45 CCCCOCCCCO CS-0217821 [0,2,0,0,0,0|0,0,0]=2 386 B9R0.45 CCOCCOCCCBr CS-0262360 [0,2,0,0,0,0|1,0,0]=3 387 B9R0.45 CCOCCOCCNC CS-0236693 [0,2,0,0,0,0|1,0,0]=3 388 B9R0.45 CC\C=C/CC\C=C\CO CS-0187695 [0,2,0,0,0,0|1,0,1]=4 389 B9R0.45 COCCCOCCCO CS-0878149 [0,2,0,0,0,0|0,0,0]=2 390 B9R0.45 C\C=C/CCCCCCC CS-0449480 [0,2,0,0,0,0|2,0,0]=4 391 B9R0.45 ClCCCCCCCCCl CS-0204527 [0,2,0,0,0,0|2,0,0]=4 392 B9R0.45 NCCCCCCCCN CS-0503782 [0,2,0,0,0,0|2,0,0]=4 393 B9R0.45 NCCCCNCCCN CS-0204880 [0,2,0,0,0,0|2,0,0]=4 394 B9R0.45 NCCCCNCCCN CS-0660083 [0,2,0,0,0,0|2,0,0]=4 395 B9R0.45 NCCNCCNCCN CS-W013989 [0,2,0,0,0,0|2,0,0]=4 396 B9R0.45 NCCNCCOCCO CS-0240164 [0,2,0,0,0,0|0,0,0]=2 397 B9R0.45 NCCOCCOCCO CS-0147803 [0,2,0,0,0,0|0,0,0]=2 398 B9R0.45 OCCCCCCC#CI CS-0516509 [0,2,0,0,0,0|1,0,1]=4 399 B9R0.45 OCCNCCOCCO CS-0215480 [0,2,0,0,0,0|0,0,0]=2 400 B9R0.45 OCCOCCOCCF CS-0112644 [0,2,0,0,0,0|0,0,0]=2 401 B9R0.45 OCCOCCSCCO CS-0237965 [0,2,0,0,0,0|0,0,0]=2 402 B9R0.46 CCC(C)CCCCCO CS-0203503 [0,2,0,0,0,0|1,0,0]=3 403 B9R0.46 CCCCCCC(C)C#N CS-0260222 [0,2,0,0,0,0|2,0,0]=4 404 B9R0.46 CCCCCCC(O)CBr CS-0517029 [0,2,0,0,0,0|1,0,0]=3 405 B9R0.46 CCN(C)CCCCCN CS-0250497 [0,2,0,0,0,0|2,0,0]=4 406 B9R0.46 CCN(C)CCOCCO CS-0163387 [0,2,0,0,0,0|0,0,0]=2 407 B9R0.46 CC[C@H](C)CCCCCO CS-0198781 [0,2,0,0,0,0|1,0,0]=3 408 B9R0.46 COC(=O)CCOCCO CS-0114946 [0,2,0,0,0,0|0,0,1]=3 409 B9R0.1 CCC(C)CCCC(=O)O CS-0237501 [0,2,0,0,0,0|1,0,1]=4 410 B9R0.1 CCC(C)CCCC(C)C CS-0621899 [0,2,0,0,0,0|2,0,0]=4 411 B9R0.20 COCCNC(C)(C)CO CS-0933789 [0,2,0,0,0,0|2,0,0]=4 412 B9R0.24 CCC(O)CCC(O)CC CS-0725814 [0,2,0,0,0,0|2,0,0]=4 413 B9R0.47 CCCCCC(O)C(C)C CS-0450523 [0,2,0,0,0,0|2,0,0]=4 414 B9R0.47 CCCCOC(=O)C(C)Br CS-0365346 [0,2,0,0,0,0|1,0,1]=4 415 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0033702 [0,2,0,0,0,0|1,0,1]=4 416 B9R0.38 CS(=O)(=O)CCCCCO CS-0235873 [0,2,0,0,0,0|2,0,0]=4 417 B9R0.38 FC(F)(F)COCCCBr CS-0262654 [0,2,0,0,0,0|2,0,0]=4 418 B9R0.55 CC(=O)CCOCC(C)C CS-0450930 [0,2,0,0,0,0|1,0,1]=4 419 B9R0.55 CC(O)CCCCN(C)C CS-0232890 [0,2,0,0,0,0|2,0,0]=4 420 B9R0.55 CN(C)CCOCC(=O)O CS-0346336 [0,2,0,0,0,0|1,0,1]=4 421 B7R1.1 C#C[C@H]1CCCO1 CS-0681741 [1,0,0,1,0,0|0,0,2]=4 422 B7R1.1 CCC1=CCCC1 CS-0449911 [1,0,0,1,0,0|1,0,1]=4 423 B7R1.1 CCC1CCCC1 CS-0634975 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.1 CCC1CCNC1 CS-0230617 [1,0,0,1,0,0|1,0,0]=3 425 B7R1.1 CCC1CCNC1 CS-0455557 [1,0,0,1,0,0|1,0,0]=3 426 B7R1.1 CNC1CCOC1 CS-0048784 [1,0,0,1,0,0|1,0,0]=3 427 B7R1.1 CN[C@@H]1CCOC1 CS-0053318 [1,0,0,1,0,0|1,0,0]=3 428 B7R1.1 CN[C@@H]1CCOC1 CS-0057591 [1,0,0,1,0,0|1,0,0]=3 429 B7R1.1 CN[C@H]1CCOC1 CS-0057592 [1,0,0,1,0,0|1,0,0]=3 430 B7R1.1 CSC1CCNC1 CS-0184100 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.1 FCC1CCCN1 CS-0184179 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.1 FC[C@@H]1CCNC1 CS-0085105 [1,0,0,1,0,0|2,0,0]=4 433 B7R1.1 NCC1CCCS1 CS-0230826 [1,0,0,1,0,0|1,1,0]=4 434 B7R1.1 NCC1CCSC1 CS-0238070 [1,0,0,1,0,0|1,1,0]=4 435 B7R1.1 NC[C@H]1CCCN1 CS-0466272 [1,0,0,1,0,0|2,0,0]=4 436 B7R1.1 NC[C@H]1CCOC1 CS-0053314 [1,0,0,1,0,0|1,0,0]=3 437 B7R1.1 NOC1CCCC1 CS-0634531 [1,0,0,1,0,0|2,0,0]=4 438 B7R1.1 OCC1=CCCC1 CS-0234175 [1,0,0,1,0,0|0,0,2]=4 439 B7R1.1 OCC1C=CCC1 CS-0341069 [1,0,0,1,0,0|0,0,2]=4 440 B7R1.1 OCC1COCO1 CS-W019304 [1,0,0,1,0,0|1,0,0]=3 441 B7R1.1 [C@@H]1(CN)CCCN1 CS-W016651 [1,0,0,1,0,0|2,0,0]=4 442 B7R1.3 BrC1CCSCC1 CS-0309064 [1,0,0,1,0,0|1,1,0]=4 443 B7R1.3 CC1CCCCN1 CS-0666428 [1,0,0,1,0,0|1,0,0]=3 444 B7R1.3 CC1CNCCS1 CS-0006426 [1,0,0,1,0,0|1,1,0]=4 445 B7R1.3 CN1CCNCC1 CS-0229495 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.3 CN1CCOCC1 CS-0151062 [1,0,0,1,0,0|1,0,0]=3 447 B7R1.3 CN1CCSCC1 CS-0667426 [1,0,0,1,0,0|1,1,0]=4 448 B7R1.3 ClC1CCNCC1 CS-0453479 [1,0,0,1,0,0|2,0,0]=4 449 B7R1.3 F[C@H]1CCCNC1 CS-0053267 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.3 IC1CCSCC1 CS-0045981 [1,0,0,1,0,0|1,1,0]=4 451 B7R1.3 NC1CCCNC1 CS-W005316 [1,0,0,1,0,0|2,0,0]=4 452 B7R1.3 N[C@@H]1CCCOC1 CS-0183316 [1,0,0,1,0,0|1,0,0]=3 453 B7R1.3 N[C@H]1CCCOC1 CS-0046122 [1,0,0,1,0,0|1,0,0]=3 454 B7R1.3 O[C@H]1C=CCCC1 CS-0263308 [1,0,0,1,0,0|0,0,2]=4 455 B7R1.3 SC1CCCNC1 CS-0048753 [1,0,0,1,0,0|1,1,0]=4 456 B7R1.3 SC1CCSCC1 CS-0232823 [1,0,0,1,0,0|1,1,0]=4 457 B7R1.3 [C@H]1(O)CCCOC1 CS-W007290 [1,0,0,1,0,0|0,0,0]=2 458 B7R1.4 CC1CNCC1C CS-0172207 [1,0,0,1,0,0|2,0,0]=4 459 B7R1.4 CC1COCC1=O CS-0566067 [1,0,0,1,0,0|0,0,2]=4 460 B7R1.4 C[C@@H]1CCC[C@@H]1N CS-0197543 [1,0,0,1,0,0|1,0,0]=3 461 B7R1.4 C[C@@H]1CNC[C@@H]1N CS-0310325 [1,0,0,1,0,0|2,0,0]=4 462 B7R1.4 C[C@@H]1NCC[C@@H]1O CS-0501476 [1,0,0,1,0,0|1,0,0]=3 463 B7R1.4 C[C@H]1CCC[C@H]1O CS-0036366 [1,0,0,1,0,0|0,0,0]=2 464 B7R1.4 C[C@H]1COC[C@@H]1N CS-0184287 [1,0,0,1,0,0|1,0,0]=3 465 B7R1.4 C[C@H]1OCC[C@@H]1N CS-1057343 [1,0,0,1,0,0|1,0,0]=3 466 B7R1.4 ClC1CCOC1Cl CS-0451541 [1,0,0,1,0,0|2,0,0]=4 467 B7R1.4 NC1CCCC1Br CS-0230543 [1,0,0,1,0,0|2,0,0]=4 468 B7R1.4 NC1CCCC1Cl CS-0230256 [1,0,0,1,0,0|2,0,0]=4 469 B7R1.4 NC1CCCC1N CS-0197792 [1,0,0,1,0,0|2,0,0]=4 470 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-0368662 [1,0,0,1,0,0|1,0,0]=3 471 B7R1.4 N[C@@H]1CCC[C@@H]1O CS-0513808 [1,0,0,1,0,0|1,0,0]=3 472 B7R1.4 N[C@@H]1CCC[C@H]1F CS-0311814 [1,0,0,1,0,0|2,0,0]=4 473 B7R1.4 N[C@@H]1CCC[C@H]1N CS-0356557 [1,0,0,1,0,0|2,0,0]=4 474 B7R1.4 N[C@@H]1COC[C@@H]1N CS-0049723 [1,0,0,1,0,0|2,0,0]=4 475 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0029555 [1,0,0,1,0,0|1,0,0]=3 476 B7R1.4 N[C@@H]1COC[C@H]1N CS-0053226 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.4 N[C@@H]1COC[C@H]1O CS-0046712 [1,0,0,1,0,0|1,0,0]=3 478 B7R1.4 N[C@H]1COC[C@@H]1N CS-0058692 [1,0,0,1,0,0|2,0,0]=4 479 B7R1.4 N[C@H]1COC[C@@H]1O CS-0184532 [1,0,0,1,0,0|1,0,0]=3 480 B7R1.4 N[C@H]1COC[C@H]1F CS-0092759 [1,0,0,1,0,0|2,0,0]=4 481 B7R1.4 OC1CCCC1O CS-0451973 [1,0,0,1,0,0|1,0,0]=3 482 B7R1.4 OC1CNCC1O CS-0083889 [1,0,0,1,0,0|2,0,0]=4 483 B7R1.4 OC1CNCC1O CS-0496937 [1,0,0,1,0,0|2,0,0]=4 484 B7R1.4 OC1COCC1Br CS-0487203 [1,0,0,1,0,0|1,0,0]=3 485 B7R1.4 O[C@@H]1CCC[C@H]1O CS-0782195 [1,0,0,1,0,0|1,0,0]=3 486 B7R1.4 O[C@@H]1CNC[C@@H]1F CS-0058738 [1,0,0,1,0,0|2,0,0]=4 487 B7R1.4 O[C@H]1CCC[C@@H]1O CS-0058322 [1,0,0,1,0,0|1,0,0]=3 488 B7R1.4 O[C@H]1CNC[C@H]1F CS-0502667 [1,0,0,1,0,0|2,0,0]=4 489 B7R1.4 O[C@H]1COC[C@@H]1O CS-0173155 [1,0,0,1,0,0|1,0,0]=3 490 B7R1.4 [C@@H]1(N)CCC[C@H]1O CS-0031413 [1,0,0,1,0,0|1,0,0]=3 491 B7R1.6 BrCCC1CCC1 CS-0623989 [1,0,0,1,0,0|1,0,0]=3 492 B7R1.6 CCNC1CCC1 CS-0436117 [1,0,0,1,0,0|1,0,0]=3 493 B7R1.6 CCNC1COC1 CS-0045508 [1,0,0,1,0,0|2,0,0]=4 494 B7R1.6 CCOC1CNC1 CS-0137902 [1,0,0,1,0,0|1,0,0]=3 495 B7R1.6 COC[C@@H]1CCN1 CS-0053449 [1,0,0,1,0,0|2,0,0]=4 496 B7R1.6 COC[C@H]1CCN1 CS-0053501 [1,0,0,1,0,0|2,0,0]=4 497 B7R1.6 NCCC1CCC1 CS-0135451 [1,0,0,1,0,0|1,0,0]=3 498 B7R1.6 NCCC1CCO1 CS-0052220 [1,0,0,1,0,0|1,0,0]=3 499 B7R1.6 NCCC1COC1 CS-0052217 [1,0,0,1,0,0|2,0,0]=4 500 B7R1.6 OCC=C1CCC1 CS-0232584 [1,0,0,1,0,0|0,0,2]=4 501 B7R1.6 OCCC1CCC1 CS-0054337 [1,0,0,1,0,0|0,0,0]=2 502 B7R1.6 OCCC1CCO1 CS-0052219 [1,0,0,1,0,0|1,0,0]=3 503 B7R1.6 OCCC1CNC1 CS-0052250 [1,0,0,1,0,0|1,0,0]=3 504 B7R1.6 OCC[C@@H]1CCO1 CS-0623027 [1,0,0,1,0,0|1,0,0]=3 505 B7R1.7 CCCNC1CC1 CS-0506986 [1,0,0,1,0,0|2,0,0]=4 506 B7R1.7 CCCNC1CC1 CS-0670952 [1,0,0,1,0,0|2,0,0]=4 507 B7R1.7 CNCCC1CC1 CS-0223210 [1,0,0,1,0,0|2,0,0]=4 508 B7R1.7 ClCCOC1CC1 CS-0074137 [1,0,0,1,0,0|1,0,0]=3 509 B7R1.7 NCCCC1CC1 CS-0700627 [1,0,0,1,0,0|1,0,0]=3 510 B7R1.7 OCCCC1CC1 CS-0224534 [1,0,0,1,0,0|0,0,0]=2 511 B7R1.8 CN1CC[C@H]1CN CS-0745585 [1,0,0,1,0,0|2,0,0]=4 512 B7R1.8 COC1CCC1N CS-0654190 [1,0,0,1,0,0|2,0,0]=4 513 B7R1.8 CO[C@@H]1CC[C@@H]1N CS-0476856 [1,0,0,1,0,0|2,0,0]=4 514 B7R1.8 CO[C@@H]1CC[C@H]1N CS-0309645 [1,0,0,1,0,0|2,0,0]=4 515 B7R1.8 NCC1CCC1F CS-0045560 [1,0,0,1,0,0|2,0,0]=4 516 B7R1.8 OCC1CCC1F CS-0045492 [1,0,0,1,0,0|1,0,0]=3 517 B7R1.8 OC[C@H]1CC[C@H]1O CS-0499615 [1,0,0,1,0,0|1,0,0]=3 518 B7R1.9 N#CC1CC1CO CS-0654804 [1,0,0,1,0,0|1,0,1]=4 519 B7R1.9 NCC1CC1CO CS-0056025 [1,0,0,1,0,0|1,0,0]=3 520 B7R1.9 NC[C@@H]1C[C@H]1CN CS-0623167 [1,0,0,1,0,0|2,0,0]=4 521 B7R1.9 NC[C@H]1C[C@H]1CO CS-0444092 [1,0,0,1,0,0|1,0,0]=3 522 B9R1.2 CC1CC(CO)CCO1 CS-0232577 [0,1,0,1,0,0|2,0,0]=4 523 B9R1.2 CC1CCCC(CN)C1 CS-0251202 [0,1,0,1,0,0|2,0,0]=4 524 B9R1.2 CC1CCCC(CO)C1 CS-0487356 [0,1,0,1,0,0|1,0,0]=3 525 B9R1.2 CC1CCCC(CO)N1 CS-0055515 [0,1,0,1,0,0|1,0,0]=3 526 B9R1.2 CCC1CC(=O)CCO1 CS-0061467 [0,1,0,1,0,0|1,0,0]=3 527 B9R1.2 CCC1CC(N)CCO1 CS-0285451 [0,1,0,1,0,0|1,0,0]=3 528 B9R1.2 CCC1CCCC(C)C1 CS-0451768 [0,1,0,1,0,0|2,0,0]=4 529 B9R1.2 CN1CCNC(CO)C1 CS-0146603 [0,1,0,1,0,0|2,0,0]=4 530 B9R1.2 CO[C@H]1CCC[C@@H](O)C1 CS-0058288 [0,1,0,1,0,0|2,0,0]=4 531 B9R1.2 C[C@@H]1CNC[C@H](CO)O1 CS-0147344 [0,1,0,1,0,0|1,0,0]=3 532 B9R1.2 NC1CCOC(CO)C1 CS-0858519 [0,1,0,1,0,0|0,0,0]=2 533 B9R1.2 NC[C@H]1CCC[C@@H](O)C1 CS-0858481 [0,1,0,1,0,0|2,0,0]=4 534 B9R1.2 N[C@@H]1CCC[C@@H](CO)C1 CS-0622954 [0,1,0,1,0,0|1,0,0]=3 535 B9R1.2 O=C1CCC[C@H](CO)N1 CS-0214865 [0,1,0,1,0,0|1,0,1]=4 536 B9R1.7 CC1CCN(CCN)C1 CS-0265067 [0,1,0,1,0,0|2,0,0]=4 537 B9R1.7 CC1CCN(CCO)C1 CS-0308270 [0,1,0,1,0,0|1,0,0]=3 538 B9R1.7 CN1CCC(CCO)C1 CS-0052315 [0,1,0,1,0,0|2,0,0]=4 539 B9R1.7 CN1CC[C@H](CCO)C1 CS-0476254 [0,1,0,1,0,0|2,0,0]=4 540 B9R1.7 NCCN1CC[C@H](O)C1 CS-0119944 [0,1,0,1,0,0|2,0,0]=4 541 B9R1.7 O[C@@H]1CCN(CCCl)C1 CS-0622862 [0,1,0,1,0,0|2,0,0]=4 542 B9R1.7 O[C@H]1CCN(CCCl)C1 CS-0471153 [0,1,0,1,0,0|2,0,0]=4 543 B9R1.8 BrCCC1CCCCN1 CS-0208298 [0,1,0,1,0,0|2,0,0]=4 544 B9R1.8 BrCCC1COCCO1 CS-0719836 [0,1,0,1,0,0|0,0,0]=2 545 B9R1.8 BrCCN1CCOCC1 CS-0207526 [0,1,0,1,0,0|2,0,0]=4 546 B9R1.8 C=CC[C@@H]1CCCCN1 CS-0162050 [0,1,0,1,0,0|2,0,0]=4 547 B9R1.8 C=CC[C@H]1CCCCN1 CS-0538783 [0,1,0,1,0,0|2,0,0]=4 548 B9R1.8 C=COC1CCCCO1 CS-0167843 [0,1,0,1,0,0|1,0,1]=4 549 B9R1.8 CCCC1CCNCC1 CS-0206254 [0,1,0,1,0,0|2,0,0]=4 550 B9R1.8 CCCC1COCCN1 CS-0713513 [0,1,0,1,0,0|1,0,0]=3 551 B9R1.8 CCCN1CCOCC1 CS-0517736 [0,1,0,1,0,0|2,0,0]=4 552 B9R1.8 CCC[C@@H]1CCCCN1 CS-0475592 [0,1,0,1,0,0|2,0,0]=4 553 B9R1.8 CCC[C@H]1CCCCN1 CS-0197282 [0,1,0,1,0,0|2,0,0]=4 554 B9R1.8 CNCC1CCCCC1 CS-0301630 [0,1,0,1,0,0|2,0,0]=4 555 B9R1.8 CNC[C@@H]1COCCO1 CS-0052976 [0,1,0,1,0,0|0,0,0]=2 556 B9R1.8 CNC[C@@H]1COCCO1 CS-0184077 [0,1,0,1,0,0|0,0,0]=2 557 B9R1.8 CNC[C@H]1COCCO1 CS-0052975 [0,1,0,1,0,0|0,0,0]=2 558 B9R1.8 COCC1CCCCN1 CS-0242411 [0,1,0,1,0,0|1,0,0]=3 559 B9R1.8 COCC1CCCNC1 CS-0071359 [0,1,0,1,0,0|2,0,0]=4 560 B9R1.8 COC[C@H]1CCCNC1 CS-0926406 [0,1,0,1,0,0|2,0,0]=4 561 B9R1.8 CSCC1CCCCN1 CS-0303960 [0,1,0,1,0,0|1,1,0]=4 562 B9R1.8 CSCC1CCCNC1 CS-0689943 [0,1,0,1,0,0|2,0,0]=4 563 B9R1.8 ClCCC1CCCCC1 CS-0440494 [0,1,0,1,0,0|2,0,0]=4 564 B9R1.8 ClCCC1CCOCC1 CS-0215147 [0,1,0,1,0,0|2,0,0]=4 565 B9R1.8 ClCOC1CCCCC1 CS-0451637 [0,1,0,1,0,0|2,0,0]=4 566 B9R1.8 FCCC1CCCNC1 CS-0245247 [0,1,0,1,0,0|2,0,0]=4 567 B9R1.8 ICCC1CCOCC1 CS-0244783 [0,1,0,1,0,0|2,0,0]=4 568 B9R1.8 ICCN1CCOCC1 CS-0776186 [0,1,0,1,0,0|2,0,0]=4 569 B9R1.8 N#CCC1CCCCC1 CS-W018366 [0,1,0,1,0,0|2,0,0]=4 570 B9R1.8 N#CCC1CCCCO1 CS-0232560 [0,1,0,1,0,0|1,0,0]=3 571 B9R1.8 NCCC1CCCCC1 CS-0018750 [0,1,0,1,0,0|2,0,0]=4 572 B9R1.8 NCCC1CCCNC1 CS-0461182 [0,1,0,1,0,0|2,0,0]=4 573 B9R1.8 NCCC1CCNCC1 CS-0671510 [0,1,0,1,0,0|2,0,0]=4 574 B9R1.8 NCCC1CCSCC1 CS-0443990 [0,1,0,1,0,0|2,0,0]=4 575 B9R1.8 NCCN1CCCCO1 CS-0038431 [0,1,0,1,0,0|1,0,0]=3 576 B9R1.8 NCCN1CCSCC1 CS-0179160 [0,1,0,1,0,0|2,0,0]=4 577 B9R1.8 NNCC1CCCCC1 CS-0211734 [0,1,0,1,0,0|2,0,0]=4 578 B9R1.8 NNCC1CCCCO1 CS-0256882 [0,1,0,1,0,0|1,0,0]=3 579 B9R1.8 OCCC1CCCCN1 CS-0691341 [0,1,0,1,0,0|1,0,0]=3 580 B9R1.8 OCCC1CNCCO1 CS-0307946 [0,1,0,1,0,0|1,0,0]=3 581 B9R1.8 OCCC1CNCCO1 CS-0315539 [0,1,0,1,0,0|1,0,0]=3 582 B9R1.8 OCCC1COCCO1 CS-0375670 [0,1,0,1,0,0|0,0,0]=2 583 B9R1.8 OCCC1CSCCN1 CS-0230523 [0,1,0,1,0,0|1,1,0]=4 584 B9R1.8 OCC[C@H]1COCCN1 CS-0146957 [0,1,0,1,0,0|1,0,0]=3 585 B9R1.12 BrCCCC1CCCO1 CS-0266152 [0,1,0,1,0,0|1,0,0]=3 586 B9R1.12 BrCCCC1CCOC1 CS-0242906 [0,1,0,1,0,0|2,0,0]=4 587 B9R1.12 BrCCOC1CCOC1 CS-0256708 [0,1,0,1,0,0|1,0,0]=3 588 B9R1.12 C#CCCC1OCCO1 CS-0523871 [0,1,0,1,0,0|0,0,1]=3 589 B9R1.12 C=CCOC1CCNC1 CS-0233372 [0,1,0,1,0,0|1,0,1]=4 590 B9R1.12 C=CCO[C@@H]1CCNC1 CS-0751775 [0,1,0,1,0,0|1,0,1]=4 591 B9R1.12 CCCCC1CCCN1 CS-0297439 [0,1,0,1,0,0|2,0,0]=4 592 B9R1.12 CCCNC1CCCC1 CS-0714457 [0,1,0,1,0,0|2,0,0]=4 593 B9R1.12 CNCCN1CCCC1 CS-0045186 [0,1,0,1,0,0|2,0,0]=4 594 B9R1.12 CNCCN1CCCC1 CS-0076461 [0,1,0,1,0,0|2,0,0]=4 595 B9R1.12 COCCC1CCCN1 CS-0052298 [0,1,0,1,0,0|2,0,0]=4 596 B9R1.12 COCCC1CCNC1 CS-0233999 [0,1,0,1,0,0|2,0,0]=4 597 B9R1.12 ClCCCC1CCCC1 CS-0264770 [0,1,0,1,0,0|2,0,0]=4 598 B9R1.12 ICCCC1CCCC1 CS-0416115 [0,1,0,1,0,0|2,0,0]=4 599 B9R1.12 NCCCC1CCCC1 CS-0058004 [0,1,0,1,0,0|2,0,0]=4 600 B9R1.12 NCCCC1CCCO1 CS-0286651 [0,1,0,1,0,0|1,0,0]=3 601 B9R1.12 NCCCC1CCOC1 CS-0266462 [0,1,0,1,0,0|2,0,0]=4 602 B9R1.12 OCCCC1CCCO1 CS-0116649 [0,1,0,1,0,0|1,0,0]=3 603 B9R1.15 CC1CCCCC1NN CS-0251729 [0,1,0,1,0,0|2,0,0]=4 604 B9R1.15 CC1CCCNC1CN CS-0236285 [0,1,0,1,0,0|2,0,0]=4 605 B9R1.15 CC1NCCCC1CO CS-0463088 [0,1,0,1,0,0|1,0,0]=3 606 B9R1.15 CCC1CCCCC1Br CS-0245703 [0,1,0,1,0,0|2,0,0]=4 607 B9R1.15 CCC1CCCCC1N CS-0247815 [0,1,0,1,0,0|2,0,0]=4 608 B9R1.15 CCC1CCCCC1O CS-0204697 [0,1,0,1,0,0|1,0,0]=3 609 B9R1.15 CCN1CCNC[C@H]1C CS-0519129 [0,1,0,1,0,0|2,0,0]=4 610 B9R1.15 CC[C@H]1CNCCN1C CS-0162049 [0,1,0,1,0,0|2,0,0]=4 611 B9R1.15 CN1CCCCC1CN CS-0216741 [0,1,0,1,0,0|2,0,0]=4 612 B9R1.15 CN1CCNCC1CO CS-0570637 [0,1,0,1,0,0|2,0,0]=4 613 B9R1.15 CN1CCOCC1CN CS-0210905 [0,1,0,1,0,0|2,0,0]=4 614 B9R1.15 CN1CCOC[C@@H]1CN CS-0342062 [0,1,0,1,0,0|2,0,0]=4 615 B9R1.15 CN1CCOC[C@H]1CN CS-0468800 [0,1,0,1,0,0|2,0,0]=4 616 B9R1.15 CN1CCOC[C@H]1CO CS-0103636 [0,1,0,1,0,0|1,0,0]=3 617 B9R1.15 CN[C@@H]1CCCC[C@H]1O CS-0650428 [0,1,0,1,0,0|1,0,0]=3 618 B9R1.15 CN[C@@H]1CCOC[C@H]1O CS-1057081 [0,1,0,1,0,0|0,0,0]=2 619 B9R1.15 COC1CCCCC1N CS-0139375 [0,1,0,1,0,0|2,0,0]=4 620 B9R1.15 CO[C@@H]1CCCC[C@@H]1N CS-0505384 [0,1,0,1,0,0|2,0,0]=4 621 B9R1.15 CO[C@@H]1CCCC[C@H]1N CS-0309582 [0,1,0,1,0,0|2,0,0]=4 622 B9R1.15 CO[C@@H]1CCNC[C@H]1F CS-0502170 [0,1,0,1,0,0|2,0,0]=4 623 B9R1.15 CO[C@@H]1CCNC[C@H]1F CS-0834317 [0,1,0,1,0,0|2,0,0]=4 624 B9R1.15 CO[C@@H]1COCC[C@H]1N CS-0053240 [0,1,0,1,0,0|1,0,0]=3 625 B9R1.15 CO[C@H]1CCCC[C@@H]1N CS-0309580 [0,1,0,1,0,0|2,0,0]=4 626 B9R1.15 CO[C@H]1CCCC[C@@H]1O CS-0256442 [0,1,0,1,0,0|1,0,0]=3 627 B9R1.15 CO[C@H]1CCCC[C@H]1N CS-0309581 [0,1,0,1,0,0|2,0,0]=4 628 B9R1.15 CO[C@H]1CCCC[C@H]1N CS-0784758 [0,1,0,1,0,0|2,0,0]=4 629 B9R1.15 CO[C@H]1CCNC[C@@H]1F CS-0502171 [0,1,0,1,0,0|2,0,0]=4 630 B9R1.15 CO[C@H]1CCNC[C@@H]1O CS-0047751 [0,1,0,1,0,0|1,0,0]=3 631 B9R1.15 CO[C@H]1CCNC[C@@H]1O CS-0047752 [0,1,0,1,0,0|1,0,0]=3 632 B9R1.15 CO[C@H]1CCNC[C@H]1F CS-0502285 [0,1,0,1,0,0|2,0,0]=4 633 B9R1.15 CO[C@H]1CCOC[C@@H]1N CS-1057059 [0,1,0,1,0,0|1,0,0]=3 634 B9R1.15 CO[C@H]1CNCC[C@H]1O CS-0519121 [0,1,0,1,0,0|2,0,0]=4 635 B9R1.15 CO[C@H]1COCC[C@@H]1N CS-0058690 [0,1,0,1,0,0|1,0,0]=3 636 B9R1.15 N#C[C@H]1CCCC[C@@H]1O CS-0242159 [0,1,0,1,0,0|1,0,1]=4 637 B9R1.15 NCC1CCCCC1O CS-0139277 [0,1,0,1,0,0|1,0,0]=3 638 B9R1.15 NC[C@@H]1CCCC[C@@H]1O CS-0356778 [0,1,0,1,0,0|1,0,0]=3 639 B9R1.15 NC[C@@H]1CCNC[C@@H]1O CS-0049692 [0,1,0,1,0,0|1,0,0]=3 640 B9R1.15 NC[C@@H]1CCNC[C@H]1O CS-0047768 [0,1,0,1,0,0|1,0,0]=3 641 B9R1.15 N[C@@H]1CCCC[C@@H]1CO CS-0139614 [0,1,0,1,0,0|1,0,0]=3 642 B9R1.15 N[C@@H]1CCCC[C@@H]1CO CS-0667650 [0,1,0,1,0,0|1,0,0]=3 643 B9R1.15 N[C@@H]1CCCC[C@H]1CO CS-0139608 [0,1,0,1,0,0|1,0,0]=3 644 B9R1.15 N[C@@H]1CCCC[C@H]1CO CS-0139612 [0,1,0,1,0,0|1,0,0]=3 645 B9R1.15 N[C@H]1CCCC[C@H]1CO CS-0135573 [0,1,0,1,0,0|1,0,0]=3 646 B9R1.15 OCC1=C(Br)CCCC1 CS-0491146 [0,1,0,1,0,0|1,0,1]=4 647 B9R1.15 OCC1CCNCC1O CS-0039725 [0,1,0,1,0,0|1,0,0]=3 648 B9R1.15 OC[C@@H]1CCNC[C@@H]1F CS-0506253 [0,1,0,1,0,0|2,0,0]=4 649 B9R1.15 OC[C@@H]1CCNC[C@@H]1O CS-0049686 [0,1,0,1,0,0|1,0,0]=3 650 B9R1.22 CN1C[C@H](N)C[C@H]1CO CS-0357063 [0,1,0,1,0,0|2,0,0]=4 651 B9R1.22 CO[C@@H]1CN(C)C[C@H]1O CS-0309983 [0,1,0,1,0,0|2,0,0]=4 652 B9R1.33 CCO[C@H]1COC[C@@H]1N CS-0443435 [0,1,0,1,0,0|1,0,0]=3 653 B9R1.33 CCSC1CCCC1N CS-0265491 [0,1,0,1,0,0|2,0,0]=4 654 B9R1.33 CN1CCCC1CCBr CS-0222749 [0,1,0,1,0,0|2,0,0]=4 655 B9R1.33 CN1CCC[C@@H]1CCO CS-0341913 [0,1,0,1,0,0|1,0,0]=3 656 B9R1.33 CN1CCC[C@H]1CCN CS-0054115 [0,1,0,1,0,0|2,0,0]=4 657 B9R1.33 O=C1CCCN1CCO CS-W009539 [0,1,0,1,0,0|1,0,1]=4 658 B9R1.48 CN1CCCCC(N)C1 CS-0336679 [0,1,0,1,0,0|2,0,0]=4 659 B9R1.50 OC1CCC=CCCC1 CS-0884630 [0,1,0,1,0,0|1,0,1]=4 660 B9R1.50 OC1CCC=CCCC1 CS-0884672 [0,1,0,1,0,0|1,0,1]=4 661 B9R1.50 O[C@H]1C=CCCCCC1 CS-0651205 [0,1,0,1,0,0|1,0,1]=4 662 B9R1.69 CC1CCC(=O)CC1C CS-0217764 [0,1,0,1,0,0|2,0,0]=4 663 B9R1.69 CC1CCC(N)CC1C CS-0262840 [0,1,0,1,0,0|2,0,0]=4 664 B9R1.73 NCCC(O)C1CCC1 CS-0241634 [0,1,0,1,0,0|2,0,0]=4 665 B9R1.117 CC1(OCCN)CCC1 CS-0223364 [0,1,0,1,0,0|1,0,0]=3 666 B9R1.134 CC1(CCO)OCCO1 CS-0153760 [0,1,0,1,0,0|1,0,0]=3 667 B9R1.134 CNCC1(C)OCCO1 CS-0323152 [0,1,0,1,0,0|1,0,0]=3 668 B9R1.134 NC1(CCO)CCOC1 CS-0635828 [0,1,0,1,0,0|2,0,0]=4 669 B9R1.134 NCCC1(O)CCCC1 CS-0433340 [0,1,0,1,0,0|2,0,0]=4 670 B9R1.5 CC1CCNCCC1=O CS-0038168 [0,1,0,1,0,0|1,0,1]=4 671 B9R1.5 N[C@@H]1CCCCC[C@H]1N CS-0246549 [0,1,0,1,0,0|2,0,0]=4 672 B9R1.5 N[C@@H]1CCCCC[C@H]1O CS-0472520 [0,1,0,1,0,0|1,0,0]=3 673 B9R1.14 CCN1CCC[C@@H]1CN CS-0159969 [0,1,0,1,0,0|2,0,0]=4 674 B9R1.14 COC1CCCC1CN CS-0232083 [0,1,0,1,0,0|2,0,0]=4 675 B9R1.14 CO[C@H]1CNC[C@@H]1OC CS-0495773 [0,1,0,1,0,0|2,0,0]=4 676 B9R1.14 CO[C@H]1CNC[C@@H]1OC CS-0505864 [0,1,0,1,0,0|2,0,0]=4 677 B9R1.14 OCC1CNCC1CO CS-0947935 [0,1,0,1,0,0|2,0,0]=4 678 B9R1.17 NCCOCC1CCC1 CS-0482489 [0,1,0,1,0,0|1,0,0]=3 679 B9R1.17 OCCCNC1COC1 CS-0236750 [0,1,0,1,0,0|2,0,0]=4 680 B9R1.83 CCCCOCC1CO1 CS-0238021 [0,1,0,1,0,0|0,0,0]=2 681 B9R1.83 COCCOCC1CO1 CS-0893108 [0,1,0,1,0,0|1,0,0]=3 682 B9R1.83 N#CCCNCC1CC1 CS-0258143 [0,1,0,1,0,0|2,0,0]=4 683 B9R1.83 N#CCCOCC1CC1 CS-0209866 [0,1,0,1,0,0|1,0,0]=3 684 B9R1.83 NCCCOCC1CC1 CS-0213145 [0,1,0,1,0,0|1,0,0]=3 685 B9R1.83 OCCCOCC1CO1 CS-0746634 [0,1,0,1,0,0|1,0,0]=3 686 B9R1.89 CCC1CCCCCN1 CS-0482557 [0,1,0,1,0,0|2,0,0]=4 687 B9R1.89 CCC1CCCNCC1 CS-0453585 [0,1,0,1,0,0|2,0,0]=4 688 B9R1.89 CCC1CNCCCN1 CS-0244936 [0,1,0,1,0,0|2,0,0]=4 689 B9R1.89 CNC1CCCCCC1 CS-0245333 [0,1,0,1,0,0|2,0,0]=4 690 B9R1.89 CNC1CCCNCC1 CS-0224035 [0,1,0,1,0,0|2,0,0]=4 691 B9R1.89 CSC1CCCCNC1 CS-0222995 [0,1,0,1,0,0|1,1,0]=4 692 B9R1.89 N#CC1CCCOCC1 CS-0238115 [0,1,0,1,0,0|1,0,1]=4 693 B9R1.89 NCC1CCCCNC1 CS-0482699 [0,1,0,1,0,0|2,0,0]=4 694 B9R1.89 NCC1CCCOCC1 CS-0238220 [0,1,0,1,0,0|1,0,0]=3 695 B9R1.89 NNC1CCCCCC1 CS-0315588 [0,1,0,1,0,0|2,0,0]=4 696 B9R1.89 OCC1CCCCCN1 CS-0482623 [0,1,0,1,0,0|1,0,0]=3 697 B9R1.89 OCC1CNCCNC1 CS-0735219 [0,1,0,1,0,0|2,0,0]=4 698 B9R1.89 OCC1CNCCOC1 CS-0676179 [0,1,0,1,0,0|1,0,0]=3 699 B9R1.89 OCC1COCCCN1 CS-0675718 [0,1,0,1,0,0|1,0,0]=3 700 B9R1.103 C1CSCCSCCS1 CS-0435388 [0,1,0,1,0,0|0,2,0]=4 701 B9R1.1 CC1CCC(CN)CC1 CS-0072647 [0,1,0,1,0,0|2,0,0]=4 702 B9R1.1 CC1COC(CO)CN1 CS-0468810 [0,1,0,1,0,0|1,0,0]=3 703 B9R1.1 CCC1CCC(Br)CC1 CS-0242496 [0,1,0,1,0,0|2,0,0]=4 704 B9R1.1 C[C@@H]1CC[C@@H](CO)CN1 CS-0058674 [0,1,0,1,0,0|2,0,0]=4 705 B9R1.1 C[C@@H]1CN[C@@H](CO)CN1 CS-0090256 [0,1,0,1,0,0|2,0,0]=4 706 B9R1.1 C[C@H]1CC[C@@H](CO)CC1 CS-0185316 [0,1,0,1,0,0|1,0,0]=3 707 B9R1.1 C[C@H]1CC[C@@H](CO)CN1 CS-0053045 [0,1,0,1,0,0|2,0,0]=4 708 B9R1.1 C[C@H]1CC[C@H](CO)CC1 CS-0035799 [0,1,0,1,0,0|1,0,0]=3 709 B9R1.1 C[C@H]1CN[C@@H](CO)CO1 CS-1057069 [0,1,0,1,0,0|2,0,0]=4 710 B9R1.1 NCC1CCC(F)CC1 CS-0215519 [0,1,0,1,0,0|2,0,0]=4 711 B9R1.1 NCC1CCC(N)CC1 CS-0285493 [0,1,0,1,0,0|2,0,0]=4 712 B9R1.1 NCC1CCC(O)CC1 CS-0137462 [0,1,0,1,0,0|2,0,0]=4 713 B9R1.1 NCC1CCC(O)CC1 CS-0142285 [0,1,0,1,0,0|2,0,0]=4 714 B9R1.1 NC[C@H]1CC[C@H](O)CC1 CS-0047769 [0,1,0,1,0,0|2,0,0]=4 715 B9R1.1 NC[C@H]1CC[C@H](O)CC1 CS-0184515 [0,1,0,1,0,0|2,0,0]=4 716 B9R1.1 N[C@@H]1CC[C@@H](CO)OC1 CS-0309934 [0,1,0,1,0,0|0,0,0]=2 717 B9R1.1 N[C@H]1CC[C@H](CF)CC1 CS-0501204 [0,1,0,1,0,0|2,0,0]=4 718 B9R1.3 CC1CCCC(O)C1C CS-0196810 [0,1,0,1,0,0|1,0,0]=3 719 B9R1.11 CC(CCl)N1CCCC1 CS-0357569 [0,1,0,1,0,0|2,0,0]=4 720 B9R1.11 CC(CN)C1CCCC1 CS-0225481 [0,1,0,1,0,0|2,0,0]=4 721 B9R1.11 NC(CO)C1CCOC1 CS-0088139 [0,1,0,1,0,0|2,0,0]=4 722 B9R1.11 NCC(O)C1CCCC1 CS-0261936 [0,1,0,1,0,0|2,0,0]=4 723 B9R1.11 N[C@@H](CO)C1CCCC1 CS-0682668 [0,1,0,1,0,0|1,0,0]=3 724 B9R1.11 N[C@H](CO)C1CCCC1 CS-0436842 [0,1,0,1,0,0|1,0,0]=3 725 B9R1.21 CCN1CCC(CO)C1 CS-0514887 [0,1,0,1,0,0|2,0,0]=4 726 B9R1.21 NC[C@@H]1CC[C@H](CO)C1 CS-1229855 [0,1,0,1,0,0|2,0,0]=4 727 B9R1.21 OCC1CCC(CO)N1 CS-0453628 [0,1,0,1,0,0|2,0,0]=4 728 B9R1.79 NC(CO)CC1CCC1 CS-0906812 [0,1,0,1,0,0|1,0,0]=3 729 B9R1.80 NCC(=O)OCC1CC1 CS-0253532 [0,1,0,1,0,0|1,0,1]=4 730 B9R1.118 CC1(C#N)CCCCO1 CS-0726416 [0,1,0,1,0,0|1,0,1]=4 731 B9R1.118 CC1(CBr)CCCCC1 CS-0452212 [0,1,0,1,0,0|2,0,0]=4 732 B9R1.118 CC1(CBr)CCCOC1 CS-0245964 [0,1,0,1,0,0|2,0,0]=4 733 B9R1.118 CC1(CN)CCCCC1 CS-0452016 [0,1,0,1,0,0|2,0,0]=4 734 B9R1.118 CC1(CN)CCCOC1 CS-0223513 [0,1,0,1,0,0|2,0,0]=4 735 B9R1.118 CC1(CO)CCCNC1 CS-0054669 [0,1,0,1,0,0|2,0,0]=4 736 B9R1.118 CC1(CO)CCCOC1 CS-0245778 [0,1,0,1,0,0|2,0,0]=4 737 B9R1.118 CCC1(N)CCCCC1 CS-0461396 [0,1,0,1,0,0|2,0,0]=4 738 B9R1.118 CCC1(O)CCCNC1 CS-0441740 [0,1,0,1,0,0|2,0,0]=4 739 B9R1.118 C[C@@]1(CO)CCCNC1 CS-0479257 [0,1,0,1,0,0|2,0,0]=4 740 B9R1.118 C[C@]1(CO)CCCNC1 CS-0479255 [0,1,0,1,0,0|2,0,0]=4 741 B9R1.118 NC1(CO)CCCOC1 CS-0244935 [0,1,0,1,0,0|2,0,0]=4 742 B9R1.118 NCC1(F)CCCOC1 CS-0867628 [0,1,0,1,0,0|2,0,0]=4 743 B9R1.118 NCC1(O)CCCCC1 CS-0094543 [0,1,0,1,0,0|2,0,0]=4 744 B9R1.118 OCC1(F)CCCCC1 CS-0199548 [0,1,0,1,0,0|1,0,0]=3 745 B9R1.118 OCC1(F)CCCNC1 CS-0446277 [0,1,0,1,0,0|2,0,0]=4 746 B9R1.118 OCC1(F)CCCOC1 CS-0055692 [0,1,0,1,0,0|2,0,0]=4 747 B9R1.118 OCC1(F)CCOCC1 CS-0053200 [0,1,0,1,0,0|2,0,0]=4 748 B9R1.118 OCC1(O)CCCNC1 CS-0051682 [0,1,0,1,0,0|2,0,0]=4 749 B9R1.202 CC1(CO)CCCC1N CS-0354871 [0,1,0,1,0,0|2,0,0]=4 750 B9R1.202 CN1CCC[C@@]1(C)CO CS-0648697 [0,1,0,1,0,0|2,0,0]=4 751 B9R1.6 CC(Br)C1CCCCC1 CS-0217325 [0,1,0,1,0,0|2,0,0]=4 752 B9R1.6 CC(C)C1CCCNC1 CS-0207926 [0,1,0,1,0,0|2,0,0]=4 753 B9R1.6 CC(C)C1CNCCS1 CS-0264877 [0,1,0,1,0,0|1,1,0]=4 754 B9R1.6 CC(N)C1CCCCO1 CS-0232521 [0,1,0,1,0,0|1,0,0]=3 755 B9R1.6 CC(O)C1CCNCC1 CS-0714472 [0,1,0,1,0,0|2,0,0]=4 756 B9R1.6 CC(O)C1CCNCC1 CS-0769813 [0,1,0,1,0,0|2,0,0]=4 757 B9R1.6 C[C@@H](O)C1CCNCC1 CS-0170847 [0,1,0,1,0,0|2,0,0]=4 758 B9R1.6 C[C@@H](O)C1CCNCC1 CS-0373061 [0,1,0,1,0,0|2,0,0]=4 759 B9R1.6 C[C@H](O)C1CCOCC1 CS-0012240 [0,1,0,1,0,0|2,0,0]=4 760 B9R1.6 O=C(O)[C@H]1CCCCO1 CS-0053479 [0,1,0,1,0,0|0,0,1]=3 761 B9R1.13 CC(=O)CC1CCCO1 CS-0256509 [0,1,0,1,0,0|1,0,1]=4 762 B9R1.13 CC(N)CN1CCCC1 CS-0250370 [0,1,0,1,0,0|2,0,0]=4 763 B9R1.13 CC(O)CC1CCCO1 CS-0237384 [0,1,0,1,0,0|1,0,0]=3 764 B9R1.13 CC(O)CC1CCOC1 CS-0237308 [0,1,0,1,0,0|2,0,0]=4 765 B9R1.13 CC(O)CN1CCCC1 CS-0723801 [0,1,0,1,0,0|1,0,0]=3 766 B9R1.13 C[C@H](N)CN1CCCC1 CS-0245018 [0,1,0,1,0,0|2,0,0]=4 767 B9R1.24 CC1(C)CCCC1CBr CS-0279227 [0,1,0,1,0,0|2,0,0]=4 768 B9R1.24 CC1(C)CCCC1CN CS-0073238 [0,1,0,1,0,0|2,0,0]=4 769 B9R1.24 CC1(C)CCCC1CO CS-0021772 [0,1,0,1,0,0|1,0,0]=3 770 B9R1.24 CC1(C)CCOC1CI CS-0891777 [0,1,0,1,0,0|1,0,0]=3 771 B9R1.24 CC1(C)CNCC1CO CS-0467886 [0,1,0,1,0,0|2,0,0]=4 772 B9R1.24 CC1(C)OCCC1CO CS-0664422 [0,1,0,1,0,0|2,0,0]=4 773 B9R1.40 CC1(F)CNCCC1O CS-0254227 [0,1,0,1,0,0|2,0,0]=4 774 B9R1.40 CC1(O)CCCCC1N CS-0353220 [0,1,0,1,0,0|2,0,0]=4 775 B9R1.40 CC1CCCCC1(C)N CS-0242485 [0,1,0,1,0,0|2,0,0]=4 776 B9R1.40 CC1CCNCC1(F)F CS-0051632 [0,1,0,1,0,0|2,0,0]=4 777 B9R1.40 C[C@@]1(O)CNCC[C@H]1O CS-0519137 [0,1,0,1,0,0|2,0,0]=4 778 B9R1.40 NC1CCOCC1(F)F CS-0611912 [0,1,0,1,0,0|2,0,0]=4 779 B9R1.40 NC1COCCC1(F)F CS-0133649 [0,1,0,1,0,0|2,0,0]=4 780 B9R1.40 OC1(O)CCOCC1F CS-0051354 [0,1,0,1,0,0|2,0,0]=4 781 B9R1.40 OC1CCCCC1(F)F CS-0504716 [0,1,0,1,0,0|2,0,0]=4 782 B9R1.40 OC1CNCCC1(F)F CS-W001315 [0,1,0,1,0,0|2,0,0]=4 783 B9R1.41 CC(O)[C@@H]1CCCN1C CS-0159083 [0,1,0,1,0,0|2,0,0]=4 784 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O CS-0225346 [0,1,0,1,0,0|2,0,0]=4 785 B9R1.41 CN(C)[C@@H]1CCC[C@H]1O CS-0858589 [0,1,0,1,0,0|2,0,0]=4 786 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O CS-0089000 [0,1,0,1,0,0|1,0,1]=4 787 B9R1.84 CC(C)COC1CNC1 CS-0265381 [0,1,0,1,0,0|2,0,0]=4 788 B9R1.84 FC(F)CNC1CCC1 CS-0230747 [0,1,0,1,0,0|2,0,0]=4 789 B9R1.84 FC(F)COC1CNC1 CS-0311366 [0,1,0,1,0,0|2,0,0]=4 790 B9R1.85 CC(C)CCNC1CC1 CS-0245877 [0,1,0,1,0,0|2,0,0]=4 791 B9R1.85 O=C(O)CCCC1CC1 CS-0262959 [0,1,0,1,0,0|1,0,1]=4 792 B9R1.85 O=C(O)COCC1CC1 CS-0216339 [0,1,0,1,0,0|0,0,1]=3 793 B9R1.85 O=C(O)CSCC1CC1 CS-0316785 [0,1,0,1,0,0|0,1,1]=4 794 B9R1.86 CCC1CC1CC(=O)O CS-0451400 [0,1,0,1,0,0|1,0,1]=4 795 B9R1.96 CCC1CCC1C(=O)O CS-0045490 [0,1,0,1,0,0|1,0,1]=4 796 B9R1.148 CC1(C)CCCCCN1 CS-0235695 [0,1,0,1,0,0|2,0,0]=4 797 B9R1.148 CC1(C)CCCCNC1 CS-0467501 [0,1,0,1,0,0|2,0,0]=4 798 B9R1.148 CC1(C)CCCNCC1 CS-0047363 [0,1,0,1,0,0|2,0,0]=4 799 B9R1.148 CC1(C)CCCNCC1 CS-0482535 [0,1,0,1,0,0|2,0,0]=4 800 B9R1.148 CC1(F)CCCCNC1 CS-0482716 [0,1,0,1,0,0|2,0,0]=4 801 B9R1.148 CC1(N)CCCCNC1 CS-0879659 [0,1,0,1,0,0|2,0,0]=4 802 B9R1.148 CC1(O)CCCCNC1 CS-0622978 [0,1,0,1,0,0|1,0,0]=3 803 B9R1.148 CC1(O)CCCNCC1 CS-0055162 [0,1,0,1,0,0|2,0,0]=4 804 B9R1.148 CC1(O)CCCOCC1 CS-0231129 [0,1,0,1,0,0|1,0,0]=3 805 B9R1.148 CC1(O)CNCCOC1 CS-0502979 [0,1,0,1,0,0|1,0,0]=3 806 B9R1.148 FC1(F)CCCCNC1 CS-0036374 [0,1,0,1,0,0|2,0,0]=4 807 B9R1.148 FC1(F)CNCCOC1 CS-0343259 [0,1,0,1,0,0|2,0,0]=4 808 B9R2.47 NCC1CC2CC2C1 CS-0497462 [0,0,0,2,0,0|2,0,0]=4 809 B9R2.47 [C@H]12C[C@H]1C[C@H](CO)N2 CS-1056904 [0,0,0,2,0,0|1,0,0]=3 810 B9R2.49 C1CC2CCC1CN2 CS-0054718 [0,0,0,2,0,0|2,0,0]=4 811 B9R2.49 C1CC2CCC1NO2 CS-0726164 [0,0,0,2,0,0|2,0,0]=4 812 B9R2.49 C1CC2CNC1CN2 CS-0132932 [0,0,0,2,0,0|2,0,0]=4 813 B9R2.50 C1CN2CCC2CN1 CS-0057244 [0,0,0,2,0,0|2,0,0]=4 814 B9R2.50 [C@H]12CC[C@H]1NCCN2 CS-0887546 [0,0,0,2,0,0|2,0,0]=4 815 B9R2.53 [C@@H]12CNC[C@@H](C1)[C@@H]2O CS-0310291 [0,0,0,2,0,0|2,0,0]=4 816 B9R2.56 CCC12CNCC1C2 CS-0772611 [0,0,0,2,0,0|2,0,0]=4 817 B9R2.56 NCC12COCC1C2 CS-0623083 [0,0,0,2,0,0|2,0,0]=4 818 B9R2.56 OCC12COCC1C2 CS-0120233 [0,0,0,2,0,0|2,0,0]=4 819 B9R2.56 OC[C@]12CNC[C@H]1C2 CS-0267862 [0,0,0,2,0,0|2,0,0]=4 820 B9R2.65 OCC1C2CCOC12 CS-0726246 [0,0,0,2,0,0|2,0,0]=4 821 B9R2.65 [C@@H]12CNC[C@@H]1[C@@H]2CO CS-0049601 [0,0,0,2,0,0|2,0,0]=4 822 B9R2.65 [C@H]12COC[C@@H]1C2CO CS-0047773 [0,0,0,2,0,0|2,0,0]=4 823 B9R2.68 C1CC2CCC(C2)N1 CS-0130658 [0,0,0,2,0,0|2,0,0]=4 824 B9R2.68 C1CC2CNCC1C2 CS-0057902 [0,0,0,2,0,0|2,0,0]=4 825 B9R2.68 C1CC2CNCC1N2 CS-0155361 [0,0,0,2,0,0|2,0,0]=4 826 B9R2.68 C1CC2CSCC1N2 CS-0134038 [0,0,0,2,0,0|1,1,0]=4 827 B9R2.68 C1CN2CCC(C2)N1 CS-0046684 [0,0,0,2,0,0|2,0,0]=4 828 B9R2.68 C1CN2CC[C@H](C2)N1 CS-0053599 [0,0,0,2,0,0|2,0,0]=4 829 B9R2.68 C1NCC2CC1CO2 CS-0133615 [0,0,0,2,0,0|2,0,0]=4 830 B9R2.70 [C@@H]12CN[C@H](CO)[C@@H]1C2 CS-0053080 [0,0,0,2,0,0|1,0,0]=3 831 B9R2.70 [C@H]12C[C@H]1CN[C@@H]2CO CS-0053567 [0,0,0,2,0,0|1,0,0]=3 832 B9R2.123 NC1C2CCCCC12 CS-0183372 [0,0,0,2,0,0|2,0,0]=4 833 B9R2.6 CC12CCNCC1C2 CS-0050165 [0,0,0,2,0,0|2,0,0]=4 834 B9R2.39 NC1CC2CCC1C2 CS-0119836 [0,0,0,2,0,0|2,0,0]=4 835 B9R2.39 OC1CC2CC1CN2 CS-0052047 [0,0,0,2,0,0|2,0,0]=4 836 B9R2.39 OC1CC2CC1CN2 CS-0055416 [0,0,0,2,0,0|2,0,0]=4 837 B9R2.39 OC1CC2CCC1O2 CS-0825043 [0,0,0,2,0,0|2,0,0]=4 838 B9R2.39 OC1CC2CNC1C2 CS-0052046 [0,0,0,2,0,0|2,0,0]=4 839 B9R2.39 OC1CN2CCC1C2 CS-0264979 [0,0,0,2,0,0|1,0,0]=3 840 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 CS-0053632 [0,0,0,2,0,0|2,0,0]=4 841 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 CS-0053625 [0,0,0,2,0,0|2,0,0]=4 842 B9R2.39 O[C@H]1C[C@@H]2CN[C@H]1C2 CS-0309642 [0,0,0,2,0,0|2,0,0]=4 843 B9R2.39 [C@@H]12CCN(C[C@@H]1O)C2 CS-0104756 [0,0,0,2,0,0|1,0,0]=3 844 B9R2.39 [C@@H]12CC[C@@H](C[C@H]1O)C2 CS-0927583 [0,0,0,2,0,0|1,0,0]=3 845 B9R2.39 [C@@H]12C[C@@H](CN1)C[C@@H]2O CS-0878876 [0,0,0,2,0,0|2,0,0]=4 846 B9R2.39 [C@H]12C[C@H](O)[C@H](CN1)C2 CS-0623048 [0,0,0,2,0,0|2,0,0]=4 847 B9R2.2 C1CCC(C2CO2)C1 CS-0233727 [0,0,0,2,0,0|1,0,0]=3 848 B9R2.2 C1CNC(C2CC2)C1 CS-0340051 [0,0,0,2,0,0|2,0,0]=4 849 B9R2.3 C1CC2CNCC2O1 CS-0057664 [0,0,0,2,0,0|1,0,0]=3 850 B9R2.3 C1NC[C@@H]2COC[C@@H]12 CS-0183065 [0,0,0,2,0,0|2,0,0]=4 851 B9R2.3 [C@@H]12CCC[C@H]1CNC2 CS-0495746 [0,0,0,2,0,0|2,0,0]=4 852 B9R2.3 [C@@H]12CCO[C@@H]1CCN2 CS-0092761 [0,0,0,2,0,0|2,0,0]=4 853 B9R2.3 [C@@H]12CNC[C@@H]1COC2 CS-0049661 [0,0,0,2,0,0|2,0,0]=4 854 B9R2.7 [C@H]12C[C@H](N)[C@H]1CCO2 CS-0760087 [0,0,0,2,0,0|2,0,0]=4 855 B9R2.173 C1CC2(CCO2)CN1 CS-0102307 [0,0,0,2,0,0|2,0,0]=4 856 B9R2.173 C1CC2(CCO2)CN1 CS-0183401 [0,0,0,2,0,0|2,0,0]=4 857 B9R2.173 C1CCC2(C1)CCN2 CS-0052637 [0,0,0,2,0,0|2,0,0]=4 858 B9R2.173 C1CNC2(C1)CCC2 CS-0074098 [0,0,0,2,0,0|2,0,0]=4 859 B9R2.173 C1CNC2(C1)CCC2 CS-0139249 [0,0,0,2,0,0|2,0,0]=4 860 B9R2.140 NC1CCC12CCC2 CS-0048692 [0,0,0,2,0,0|2,0,0]=4 861 B9R2.140 NC1COC12CCC2 CS-1057245 [0,0,0,2,0,0|1,0,0]=3 862 B9R2.140 OC1CCC12CNC2 CS-0185305 [0,0,0,2,0,0|2,0,0]=4 863 B9R2.157 C1CC1OC2CNC2 CS-0147661 [0,0,0,2,0,0|2,0,0]=4 864 B9R2.5 NC1CCCC12CC2 CS-0505616 [0,0,0,2,0,0|2,0,0]=4 865 B9R2.5 OC1CNCC12CC2 CS-0050674 [0,0,0,2,0,0|1,0,0]=3 866 B9R2.5 OC1CNCC12CC2 CS-0185371 [0,0,0,2,0,0|1,0,0]=3 867 B9R2.5 O[C@H]1CNCC12CC2 CS-0801230 [0,0,0,2,0,0|1,0,0]=3 868 B9R2.14 FC12CCC1CNC2 CS-0504590 [0,0,0,2,0,0|2,0,0]=4