0 B8R0.6 C#CC(O)CCCCC CS-W011154 [0,0,0,0,0,0|0,0,4]=4 1 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,0,0,0,0,0|1,0,2]=3 2 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,0,0,0,0,0|0,0,2]=2 3 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,0,0,0,0,0|1,0,2]=3 4 B8R0.6 C=CC(O)CCCCC CS-W011126 [0,0,0,0,0,0|0,0,4]=4 5 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,0,0,0,0,0|1,0,2]=3 6 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,0,0,0,0,0|2,0,0]=2 7 B8R0.6 CCCCCC(O)CC CS-0152331 [0,0,0,0,0,0|0,0,2]=2 8 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,0,0,0,0,0|0,0,2]=2 9 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,0,0,0,0,0|2,0,0]=2 10 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,0,0,0,0,0|2,0,0]=2 11 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,0,0,0,0,0|2,0,0]=2 12 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,0,0,0,0,0|1,0,2]=3 13 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,0,0,0,0,0|2,0,1]=3 15 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.6 COC(=O)CCCCN CS-0018002 [0,0,0,0,0,0|2,0,0]=2 18 B8R0.6 COC(=O)CCCCO CS-0021769 [0,0,0,0,0,0|2,0,0]=2 19 B8R0.6 COC(=O)COCCCl CS-0209481 [0,0,0,0,0,0|3,0,0]=3 20 B8R0.6 COCCCC(=O)OC CS-W011093 [0,0,0,0,0,0|2,0,0]=2 21 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,0,0,0,0,0|2,0,2]=4 22 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.1 BrCCCCCCBr CS-0015831 [1,0,0,0,0,0|2,0,1]=4 24 B7R0.1 CCCCCCCBr CS-W017293 [1,0,0,0,0,0|1,0,1]=3 25 B7R0.1 CCCCCCCO CS-0152146 [1,0,0,0,0,0|1,0,1]=3 26 B7R0.1 CCCCNCCO CS-0077079 [1,0,0,0,0,0|2,0,1]=4 27 B7R0.1 CCCC\C=C\C=O CS-0185633 [1,0,0,0,0,0|1,0,2]=4 28 B7R0.1 CCCOCCCN CS-0213493 [1,0,0,0,0,0|2,0,1]=4 29 B7R0.1 CCNCCCCO CS-0206547 [1,0,0,0,0,0|2,0,0]=3 30 B7R0.1 ClCCCCCCBr CS-W010503 [1,0,0,0,0,0|2,0,1]=4 31 B7R0.1 ClCCCCCCCl CS-W016259 [1,0,0,0,0,0|2,0,1]=4 32 B7R0.1 ClCCCCCCI CS-0059200 [1,0,0,0,0,0|2,0,1]=4 33 B7R0.1 ICCCCCCI CS-W011914 [1,0,0,0,0,0|2,0,1]=4 34 B7R0.1 NCCCCCCBr CS-0158390 [1,0,0,0,0,0|2,0,1]=4 35 B7R0.1 NCCCCCCN CS-W015964 [1,0,0,0,0,0|2,0,1]=4 36 B7R0.1 NCCCCCCO CS-W007957 [1,0,0,0,0,0|2,0,1]=4 37 B7R0.1 NCCCCCCS CS-D0506 [1,0,0,0,0,0|2,0,1]=4 38 B7R0.1 OCCCCCCBr CS-0654104 [1,0,0,0,0,0|2,0,1]=4 39 B7R0.1 OCCCCCCBr CS-W017171 [1,0,0,0,0,0|2,0,1]=4 40 B7R0.1 OCCCCCCCl CS-B1599 [1,0,0,0,0,0|2,0,1]=4 41 B7R0.1 OCCCCCCO CS-W011221 [1,0,0,0,0,0|2,0,1]=4 42 B7R0.3 C#CCCC(=O)OC CS-0137200 [1,0,0,0,0,0|1,0,2]=4 43 B7R0.3 C=CCCC(=O)OC CS-0187527 [1,0,0,0,0,0|1,0,2]=4 44 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [1,0,0,0,0,0|2,0,0]=3 45 B7R0.3 CCCCC(O)CO CS-W013596 [1,0,0,0,0,0|1,0,2]=4 46 B7R0.3 CCCC[C@@H](N)CO CS-0089933 [1,0,0,0,0,0|2,0,1]=4 47 B7R0.3 CCCC[C@@H](N)CO CS-0162184 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.3 CCCC\C(O)=N\N CS-W013606 [1,0,0,0,0,0|2,0,1]=4 49 B7R0.3 CCCNC(=O)CCl CS-0074801 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.3 CCCOC(=O)OC CS-0111112 [1,0,0,0,0,0|2,0,0]=3 51 B7R0.3 CNCCC(=O)OC CS-0150994 [1,0,0,0,0,0|2,0,0]=3 52 B7R0.3 COC(=O)CCC#N CS-W009546 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.3 COC(=O)CCCBr CS-W004701 [1,0,0,0,0,0|2,0,0]=3 54 B7R0.3 COC(=O)CCCCl CS-0001466 [1,0,0,0,0,0|2,0,0]=3 55 B7R0.3 COC(=O)CCCI CS-0001467 [1,0,0,0,0,0|2,0,0]=3 56 B7R0.3 COC(=O)CCCN CS-W019991 [1,0,0,0,0,0|2,0,0]=3 57 B7R0.3 COC(=O)CCSC CS-0128902 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.3 COCCC(=O)OC CS-0072438 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.3 NCCNC(=O)CCl CS-0697880 [1,0,0,0,0,0|3,0,0]=4 60 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|1,0,0]=2 63 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|2,0,0]=3 64 B7R0.4 CC(=O)OCCCI CS-0166646 [1,0,0,0,0,0|2,0,0]=3 65 B7R0.4 CC(C)CCCCBr CS-0154231 [1,0,0,0,0,0|2,0,1]=4 66 B7R0.4 CC(C)CCCCO CS-W011227 [1,0,0,0,0,0|2,0,1]=4 67 B7R0.4 CC(O)CCCCO CS-0572924 [1,0,0,0,0,0|1,0,2]=4 68 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,1]=4 69 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|0,0,2]=3 70 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|0,0,2]=3 71 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|0,0,2]=3 72 B7R0.4 CCCCNC(N)=O CS-0071736 [1,0,0,0,0,0|2,0,0]=3 73 B7R0.4 CCCCNC(N)=S CS-0132422 [1,0,0,0,0,0|2,1,0]=4 74 B7R0.4 CCCCOC(=S)[S-] CS-0187867 [1,0,0,0,0,0|2,1,0]=4 75 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|2,0,0]=3 78 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,0,0,0,0,0|1,0,2]=4 79 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,0,0,0,0,0|0,0,2]=3 80 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,0,0,0,0,0|1,0,2]=4 81 B7R0.4 CN(C)CCCCCl CS-0059660 [1,0,0,0,0,0|3,0,0]=4 82 B7R0.4 CN(C)CCCCN CS-0206346 [1,0,0,0,0,0|3,0,0]=4 83 B7R0.4 CN(C)CCCCN CS-0669419 [1,0,0,0,0,0|3,0,0]=4 84 B7R0.4 CN(C)CCCCO CS-W022016 [1,0,0,0,0,0|3,0,0]=4 85 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|2,0,0]=3 86 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|2,0,0]=3 87 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|2,0,0]=3 88 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,0,0,0,0|1,0,2]=4 89 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,0,0,0,0|2,0,1]=4 90 B7R0.4 NC(=O)COCCCl CS-0149936 [1,0,0,0,0,0|3,0,0]=4 91 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|2,0,0]=3 92 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|2,0,0]=3 93 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,0,0,0,0|3,0,0]=4 94 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,0,0,0,0|3,0,0]=4 95 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,0,0,0,0|3,0,0]=4 96 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,0,0,0,0|3,0,0]=4 97 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,0]=3 98 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,0]=3 99 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,0,0,0,0|3,0,0]=4 100 B7R0.4 O=C(O)COCCBr CS-0105329 [1,0,0,0,0,0|3,0,0]=4 101 B7R0.4 O=C(O)COCCCl CS-W006556 [1,0,0,0,0,0|3,0,0]=4 102 B7R0.4 O=C(O)COCCS CS-0115755 [1,0,0,0,0,0|3,0,0]=4 103 B7R0.4 O=C(O)COCCS CS-0115757 [1,0,0,0,0,0|3,0,0]=4 104 B7R0.4 O=C([O-])COCCO CS-0158309 [1,0,0,0,0,0|3,0,0]=4 105 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,0,0,0,0|2,0,1]=4 106 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,1]=3 107 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,1,0,0,0,0|3,0,0]=4 108 B9R0.5 C#CCCCC(=O)OCC CS-0532490 [0,1,0,0,0,0|0,0,2]=3 109 B9R0.5 CCCCOC(=O)CC#N CS-W016439 [0,1,0,0,0,0|1,0,1]=3 110 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [0,1,0,0,0,0|0,0,2]=3 111 B9R0.5 CCOC(=O)CCCC#N CS-0151586 [0,1,0,0,0,0|1,0,1]=3 112 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,1,0,0,0,0|2,0,0]=3 115 B9R0.5 CCOCCC(=O)OCC CS-W013312 [0,1,0,0,0,0|1,0,0]=2 116 B9R0.5 CCO\C=C\C(=O)OCC CS-0046174 [0,1,0,0,0,0|1,0,2]=4 117 B9R0.5 CCO\C=C\C(=O)OCC CS-W002052 [0,1,0,0,0,0|1,0,2]=4 118 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,1,0,0,0,0|1,0,0]=2 119 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [0,1,0,0,0,0|1,0,0]=2 120 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [0,1,0,0,0,0|1,0,0]=2 121 B9R0.8 COC(=O)C(Br)CCCBr CS-0150917 [0,1,0,0,0,0|2,0,0]=3 122 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [0,1,0,0,0,0|2,0,0]=3 123 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [0,1,0,0,0,0|2,0,0]=3 124 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [0,1,0,0,0,0|2,0,0]=3 125 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [0,1,0,0,0,0|2,0,0]=3 126 B9R0.20 CCCCCC(C)(C)CC CS-0128828 [0,1,0,0,0,0|1,0,1]=3 127 B9R0.20 CCCCCS(=O)(=O)O[Na] CS-W017507 [0,1,0,0,0,0|3,0,0]=4 128 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,1,0,0,0,0|0,0,1]=2 129 B9R0.24 CC[C@@H](O)CC[C@H](O)CC CS-0106832 [0,1,0,0,0,0|0,0,2]=3 130 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,1,0,0,0,0|2,0,1]=4 131 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,1,0,0,0,0|2,0,1]=4 132 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,1,0,0,0,0|2,0,1]=4 133 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|1,0,1]=3 134 B9R0.34 CCOC(=O)CC(=O)CC CS-W019881 [0,1,0,0,0,0|1,0,1]=3 135 B9R0.34 CCOC(=O)CC(=O)CCl CS-D1440 [0,1,0,0,0,0|2,0,1]=4 136 B9R0.34 CCOC(=O)CC(=O)NC CS-0151538 [0,1,0,0,0,0|2,0,1]=4 137 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,1,0,0,0,0|2,0,1]=4 138 B9R0.46 C=CC(=O)OCCCCO CS-0167368 [0,1,0,0,0,0|1,0,2]=4 139 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,1,0,0,0,0|0,0,0]=1 140 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,1,0,0,0,0|2,0,0]=3 141 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,1,0,0,0,0|1,0,0]=2 142 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,1,0,0,0,0|2,0,0]=3 143 B9R0.46 CCCCCCC(O)CC CS-0199187 [0,1,0,0,0,0|0,0,2]=3 144 B9R0.46 CCCCCCC(O)CO CS-W018222 [0,1,0,0,0,0|1,0,2]=4 145 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,0]=2 146 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,1,0,0,0,0|1,0,0]=2 147 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,1,0,0,0,0|1,0,0]=2 148 B9R0.46 NCCCCNC(=O)CCl CS-0224033 [0,1,0,0,0,0|2,0,0]=3 149 B9R0.47 C=C(C)C(=O)NCCCN CS-W002334 [0,1,0,0,0,0|2,0,1]=4 150 B9R0.47 C=C(C)C(=O)OCCOC CS-W016392 [0,1,0,0,0,0|2,0,1]=4 151 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0523493 [0,1,0,0,0,0|1,0,0]=2 152 B9R0.47 CCCCOC(=O)[C@H](C)O CS-0451298 [0,1,0,0,0,0|1,0,0]=2 153 B9R1.1 C#CC1CCC(=O)CC1 CS-0132033 [0,0,0,1,0,0|0,0,2]=3 154 B9R1.1 C=C1CCC(CO)CC1 CS-0034131 [0,0,0,1,0,0|2,0,0]=3 155 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,0,0,1,0,0|0,0,0]=1 156 B9R1.1 CCC1CCC(N)CC1 CS-0216065 [0,0,0,1,0,0|1,0,1]=3 157 B9R1.1 CCC1CCC(O)CC1 CS-0152471 [0,0,0,1,0,0|0,0,2]=3 158 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,0,0,1,0,0|1,0,0]=2 159 B9R1.1 CCN1CCC(N)CC1 CS-0069841 [0,0,0,1,0,0|2,0,1]=4 160 B9R1.1 CCN1CCC(O)CC1 CS-M1296 [0,0,0,1,0,0|1,0,2]=4 161 B9R1.1 CN1CCC(CCl)CC1 CS-0075760 [0,0,0,1,0,0|3,0,0]=4 162 B9R1.1 CN1CCC(CN)CC1 CS-0205823 [0,0,0,1,0,0|3,0,0]=4 163 B9R1.1 CN1CCC(CN)CC1 CS-W016551 [0,0,0,1,0,0|3,0,0]=4 164 B9R1.1 CN1CCC(CO)CC1 CS-D1113 [0,0,0,1,0,0|3,0,0]=4 165 B9R1.1 CNC1CCC(N)CC1 CS-0151020 [0,0,0,1,0,0|2,0,1]=4 166 B9R1.1 CNC1CCN(C)CC1 CS-W002005 [0,0,0,1,0,0|3,0,0]=4 167 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-0159400 [0,0,0,1,0,0|1,0,2]=4 168 B9R1.1 CN[C@H]1CC[C@H](O)CC1 CS-W019271 [0,0,0,1,0,0|1,0,2]=4 169 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,0,0,1,0,0|1,0,0]=2 170 B9R1.1 COC1CCC(N)CC1 CS-W003887 [0,0,0,1,0,0|2,0,1]=4 171 B9R1.1 COC1CCC(O)CC1 CS-W005092 [0,0,0,1,0,0|1,0,2]=4 172 B9R1.1 CO[C@H]1CC[C@@H](N)CC1 CS-0150980 [0,0,0,1,0,0|2,0,1]=4 173 B9R1.1 CO[C@H]1CC[C@H](N)CC1 CS-0094718 [0,0,0,1,0,0|2,0,1]=4 174 B9R1.1 CO[C@H]1CC[C@H](O)CC1 CS-0187696 [0,0,0,1,0,0|1,0,2]=4 175 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,0,0,1,0,0|1,0,1]=3 176 B9R1.1 N#CN1CCC(=O)CC1 CS-0609486 [0,0,0,1,0,0|2,0,1]=4 177 B9R1.1 NCC1CNC(=O)CO1 CS-0311050 [0,0,0,1,0,0|3,0,0]=4 178 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0011345 [0,0,0,1,0,0|2,0,1]=4 179 B9R1.1 N[C@H]1CC[C@H](CO)CC1 CS-0047758 [0,0,0,1,0,0|2,0,1]=4 180 B9R1.1 O=C1CCC(CO)CC1 CS-W005330 [0,0,0,1,0,0|1,0,0]=2 181 B9R1.1 O=C1COC(CO)CN1 CS-W022434 [0,0,0,1,0,0|3,0,0]=4 182 B9R1.1 O=C1CO[C@@H](CO)CN1 CS-0183833 [0,0,0,1,0,0|3,0,0]=4 183 B9R1.1 O=C1CO[C@H](CO)CN1 CS-0036959 [0,0,0,1,0,0|3,0,0]=4 184 B9R1.1 OCC1CCC(O)CC1 CS-W013434 [0,0,0,1,0,0|1,0,2]=4 185 B9R1.1 OC[C@H]1CC[C@H](O)CC1 CS-0058281 [0,0,0,1,0,0|1,0,2]=4 186 B9R1.2 CCN1CCCC(O)C1 CS-0075008 [0,0,0,1,0,0|3,0,0]=4 187 B9R1.2 CCN1CCC[C@@H](N)C1 CS-0311909 [0,0,0,1,0,0|3,0,0]=4 188 B9R1.3 CC1C(=O)CCCC1=O CS-W019564 [0,0,0,1,0,0|1,0,1]=3 189 B9R1.3 CN1C(=O)CCCC1=O CS-0151200 [0,0,0,1,0,0|2,0,1]=4 190 B9R1.3 O=C1CCCC(=O)C1Br CS-0071714 [0,0,0,1,0,0|2,0,1]=4 191 B9R1.5 NC1CCCCNC1=O CS-W002296 [0,0,0,1,0,0|2,0,0]=3 192 B9R1.5 N[C@@H]1CCCCNC1=O CS-0112895 [0,0,0,1,0,0|2,0,0]=3 193 B9R1.5 N[C@H]1CCCCNC1=O CS-W002297 [0,0,0,1,0,0|2,0,0]=3 194 B9R1.5 N[C@H]1CCCCNC1=O CS-W016082 [0,0,0,1,0,0|2,0,0]=3 195 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,0,0,1,0,0|1,0,0]=2 196 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,0,0,1,0,0|2,0,0]=3 197 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,0,0,1,0,0|1,0,0]=2 198 B9R1.7 CCOC1=CC(=O)CC1 CS-0039741 [0,0,0,1,0,0|1,0,2]=4 199 B9R1.11 CNC(=O)C1CCNC1 CS-0188103 [0,0,0,1,0,0|2,0,0]=3 200 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,0,0,1,0,0|2,0,0]=3 201 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,0,0,1,0,0|1,0,2]=4 202 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,0,0,1,0,0|1,0,2]=4 203 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [0,0,0,1,0,0|1,0,0]=2 204 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,0,0,1,0,0|2,0,0]=3 205 B9R1.11 COC(=O)C1CCCO1 CS-0096501 [0,0,0,1,0,0|2,0,0]=3 206 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [0,0,0,1,0,0|2,0,0]=3 207 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [0,0,0,1,0,0|2,0,0]=3 208 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,0,0,1,0,0|2,0,0]=3 209 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [0,0,0,1,0,0|2,0,0]=3 210 B9R1.11 NCC(=O)N1CCCC1 CS-0055114 [0,0,0,1,0,0|2,0,0]=3 211 B9R1.11 O=C(CBr)N1CCCC1 CS-0461588 [0,0,0,1,0,0|2,0,0]=3 212 B9R1.11 O=C(CCl)N1CCCC1 CS-0037280 [0,0,0,1,0,0|2,0,0]=3 213 B9R1.11 O=C(O[Na])[C@@H]1CCCN1 CS-0091626 [0,0,0,1,0,0|3,0,0]=4 214 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,0,0,1,0,0|2,0,0]=3 215 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [0,0,0,1,0,0|2,0,0]=3 216 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,0,0,1,0,0|1,0,0]=2 217 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,0,0,1,0,0|2,0,0]=3 218 B9R1.50 NC1CCCCCCC1 CS-0155298 [0,0,0,1,0,0|1,0,1]=3 219 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,0,0,1,0,0|0,0,0]=1 220 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|1,0,0]=2 221 B9R1.79 COC(=O)CC1COC1 CS-0049199 [0,0,0,1,0,0|2,0,0]=3 222 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380678 [0,0,0,1,0,0|1,0,2]=4 223 B9R1.88 COC(=O)C1CC1C#N CS-0514359 [0,0,0,1,0,0|2,0,1]=4 224 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO CS-0078750 [0,0,0,1,0,0|2,0,0]=3 225 B9R1.89 BrCC1CCCCCC1 CS-0144558 [0,0,0,1,0,0|2,0,1]=4 226 B9R1.89 CCN1CCCNCC1 CS-0124385 [0,0,0,1,0,0|3,0,0]=4 227 B9R1.89 NCC1CCCCCC1 CS-0155299 [0,0,0,1,0,0|2,0,1]=4 228 B9R1.89 OCC1CCCCCC1 CS-0144557 [0,0,0,1,0,0|2,0,1]=4 229 B9R1.89 ONC1=NCCCCC1 CS-0449006 [0,0,0,1,0,0|3,0,0]=4 230 B9R1.118 CC1(CO)CCCCC1 CS-0433278 [0,0,0,1,0,0|2,0,1]=4 231 B9R1.118 CCC1(O)CCCCC1 CS-0032047 [0,0,0,1,0,0|0,0,2]=3 232 B9R1.118 CCC1(O)CCNCC1 CS-0047072 [0,0,0,1,0,0|1,0,2]=4 233 B9R1.118 NC1(CO)CCCCC1 CS-0146523 [0,0,0,1,0,0|2,0,1]=4 234 B9R1.118 NCC1(N)CCCCC1 CS-0064736 [0,0,0,1,0,0|2,0,1]=4 235 B9R1.132 CN1C(=O)CCC1CO CS-W001672 [0,0,0,1,0,0|2,0,0]=3 236 B6R0.6 BrCCCCCBr CS-W019956 [2,0,0,0,0,0|2,0,0]=4 237 B6R0.6 C(CC)=CCCO CS-W009552 [2,0,0,0,0,0|1,0,1]=4 238 B6R0.6 C(CO)=CCCC CS-W016652 [2,0,0,0,0,0|1,0,1]=4 239 B6R0.6 C=CCCCCBr CS-W008939 [2,0,0,0,0,0|1,0,1]=4 240 B6R0.6 C=CCCCCN CS-0210385 [2,0,0,0,0,0|1,0,1]=4 241 B6R0.6 C=CCCCCO CS-W013711 [2,0,0,0,0,0|1,0,1]=4 242 B6R0.6 CCCCCCI CS-0132388 [2,0,0,0,0,0|1,0,0]=3 243 B6R0.6 CCCCCCN CS-0196786 [2,0,0,0,0,0|1,0,0]=3 244 B6R0.6 CCCNCCC CS-0187381 [2,0,0,0,0,0|1,0,0]=3 245 B6R0.6 CCCNCCC CS-0214120 [2,0,0,0,0,0|1,0,0]=3 246 B6R0.6 CCCNCCO CS-0105782 [2,0,0,0,0,0|2,0,0]=4 247 B6R0.6 CCCOCCCl CS-0200392 [2,0,0,0,0,0|2,0,0]=4 248 B6R0.6 CCC\C=C\C=O CS-0099263 [2,0,0,0,0,0|0,0,2]=4 249 B6R0.6 CCNCCCN CS-0151962 [2,0,0,0,0,0|2,0,0]=4 250 B6R0.6 CCOCCCO CS-W013685 [2,0,0,0,0,0|2,0,0]=4 251 B6R0.6 CC\C=C/CCO CS-W011323 [2,0,0,0,0,0|1,0,1]=4 252 B6R0.6 CNCCCCBr CS-0163109 [2,0,0,0,0,0|2,0,0]=4 253 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|2,0,0]=4 254 B6R0.6 COCCCCBr CS-W021313 [2,0,0,0,0,0|2,0,0]=4 255 B6R0.6 COCCCCCl CS-0039726 [2,0,0,0,0,0|2,0,0]=4 256 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|2,0,0]=4 257 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|2,0,0]=4 258 B6R0.6 ClCCCCCBr CS-W016940 [2,0,0,0,0,0|2,0,0]=4 259 B6R0.6 ClCCCCCI CS-0135342 [2,0,0,0,0,0|2,0,0]=4 260 B6R0.6 FCCCCCBr CS-W005161 [2,0,0,0,0,0|2,0,0]=4 261 B6R0.6 ICCCCCI CS-0041009 [2,0,0,0,0,0|2,0,0]=4 262 B6R0.6 NCCCCCBr CS-0006784 [2,0,0,0,0,0|2,0,0]=4 263 B6R0.6 NCCCCCN CS-W017466 [2,0,0,0,0,0|2,0,0]=4 264 B6R0.6 NCCCCCO CS-W013687 [2,0,0,0,0,0|2,0,0]=4 265 B6R0.6 OCCCCCBr CS-0905394 [2,0,0,0,0,0|2,0,0]=4 266 B6R0.6 OCCCCCBr CS-W007393 [2,0,0,0,0,0|2,0,0]=4 267 B6R0.6 OCCCCCCl CS-0095410 [2,0,0,0,0,0|2,0,0]=4 268 B6R0.6 OCCCCCI CS-0252955 [2,0,0,0,0,0|2,0,0]=4 269 B6R0.6 OCCCCCO CS-W020635 [2,0,0,0,0,0|2,0,0]=4 270 B6R0.1 CCC(=O)COC CS-0213932 [2,0,0,0,0,0|1,0,0]=3 271 B6R0.1 CCCC(=O)NN CS-0152447 [2,0,0,0,0,0|2,0,0]=4 272 B6R0.1 CCCC(Cl)CC CS-0102884 [2,0,0,0,0,0|1,0,1]=4 273 B6R0.1 CCNC(=O)CBr CS-0239382 [2,0,0,0,0,0|2,0,0]=4 274 B6R0.1 CCOC(=O)CN CS-W020007 [2,0,0,0,0,0|2,0,0]=4 275 B6R0.1 CCOC(=O)CO CS-W019892 [2,0,0,0,0,0|2,0,0]=4 276 B6R0.1 CNC(=O)CCCl CS-0143787 [2,0,0,0,0,0|2,0,0]=4 277 B6R0.1 CNC(=O)CCO CS-0188403 [2,0,0,0,0,0|2,0,0]=4 278 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|2,0,0]=4 279 B6R0.1 COC(=O)CCCl CS-0131786 [2,0,0,0,0,0|2,0,0]=4 280 B6R0.1 COC(=O)CCI CS-0615889 [2,0,0,0,0,0|2,0,0]=4 281 B6R0.1 COC(=O)CCN CS-W007648 [2,0,0,0,0,0|2,0,0]=4 282 B6R0.1 COC(=O)CCO CS-0022864 [2,0,0,0,0,0|2,0,0]=4 283 B6R0.1 COC(=O)CCS CS-0000049 [2,0,0,0,0,0|2,0,0]=4 284 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3 285 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|1,0,0]=3 286 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|2,0,0]=4 287 B6R0.4 CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4 288 B6R0.4 CC(=O)OCCN CS-0657679 [2,0,0,0,0,0|2,0,0]=4 289 B6R0.4 CC(=O)OCCO CS-0154995 [2,0,0,0,0,0|2,0,0]=4 290 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 291 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 292 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|2,0,0]=4 293 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|0,0,2]=4 294 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|0,0,2]=4 295 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|1,0,0]=3 296 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 297 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|2,0,0]=4 298 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|2,0,0]=4 299 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|2,0,0]=4 300 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|2,0,0]=4 301 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|2,0,0]=4 302 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 303 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|2,0,0]=4 304 B6R0.4 CS(=O)CCCN CS-0286765 [2,0,0,0,0,0|2,0,0]=4 305 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|2,0,0]=4 306 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|1,0,0]=3 307 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|2,0,0]=4 308 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 309 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|2,0,0]=4 310 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|2,0,0]=4 311 B8R0.1 CCCCC(O)CCC CS-0362569 [1,1,0,0,0,0|0,0,1]=3 312 B8R0.4 BrCCCCCCCBr CS-W010166 [1,1,0,0,0,0|1,0,1]=4 313 B8R0.4 CCCC=C=CCCO CS-1173689 [1,1,0,0,0,0|0,0,2]=4 314 B8R0.4 CCCCC#CCCO CS-0315148 [1,1,0,0,0,0|0,0,2]=4 315 B8R0.4 CCCCCCCC=O CS-0138976 [1,1,0,0,0,0|0,0,2]=4 316 B8R0.4 CCCCCCCCBr CS-0076039 [1,1,0,0,0,0|0,0,1]=3 317 B8R0.4 CCCCCCCCI CS-0188391 [1,1,0,0,0,0|0,0,1]=3 318 B8R0.4 CCCCCCCCN CS-0076038 [1,1,0,0,0,0|0,0,1]=3 319 B8R0.4 CCCCCCCCN CS-0179378 [1,1,0,0,0,0|0,0,1]=3 320 B8R0.4 CCCCCCCCO CS-0076037 [1,1,0,0,0,0|0,0,1]=3 321 B8R0.4 CCCCC\C=C\C=O CS-0200283 [1,1,0,0,0,0|0,0,2]=4 322 B8R0.4 CCCCC\C=C\CO CS-0152366 [1,1,0,0,0,0|0,0,1]=3 323 B8R0.4 CCCCOCCCN CS-0130475 [1,1,0,0,0,0|1,0,1]=4 324 B8R0.4 CCCCSCCCC CS-0255960 [1,1,0,0,0,0|0,0,1]=3 325 B8R0.4 NCCCCCCCN CS-W009537 [1,1,0,0,0,0|1,0,1]=4 326 B8R0.4 NCCCCCCCO CS-0088962 [1,1,0,0,0,0|1,0,1]=4 327 B8R0.4 OCCCCCCCBr CS-W008425 [1,1,0,0,0,0|1,0,1]=4 328 B8R0.4 OCCCCCCCO CS-W013404 [1,1,0,0,0,0|1,0,1]=4 329 B8R0.7 CC(C)CCCCCO CS-0210352 [1,1,0,0,0,0|1,0,1]=4 330 B8R0.7 CC(C)CCCCCO CS-0641181 [1,1,0,0,0,0|1,0,1]=4 331 B8R0.7 CC(C)NCCCCO CS-M3069 [1,1,0,0,0,0|2,0,0]=4 332 B8R0.7 CCCCCCC(C)=O CS-W011125 [1,1,0,0,0,0|0,0,2]=4 333 B8R0.7 CCCCCCC(C)Br CS-0182749 [1,1,0,0,0,0|0,0,1]=3 334 B8R0.7 CCCCCCC(C)O CS-W011107 [1,1,0,0,0,0|0,0,1]=3 335 B8R0.7 CCCCCC[C@@H](C)N CS-0204339 [1,1,0,0,0,0|0,0,1]=3 336 B8R0.7 CCCCCC[C@@H](C)O CS-0140572 [1,1,0,0,0,0|0,0,1]=3 337 B8R0.7 CCCCCC[C@H](C)O CS-0140577 [1,1,0,0,0,0|0,0,1]=3 338 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [1,1,0,0,0,0|1,0,0]=3 339 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [1,1,0,0,0,0|1,0,0]=3 340 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [1,1,0,0,0,0|1,0,1]=4 341 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [1,1,0,0,0,0|2,0,0]=4 342 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [1,1,0,0,0,0|2,0,0]=4 343 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [1,1,0,0,0,0|2,0,0]=4 344 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|1,0,1]=4 345 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,1,0,0,0,0|1,0,1]=4 346 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [1,1,0,0,0,0|1,0,0]=3 347 B8R0.9 COC(=O)CNC(C)C CS-0200417 [1,1,0,0,0,0|2,0,0]=4 348 B8R0.11 CCCCC(CC)CBr CS-W004392 [1,1,0,0,0,0|1,0,1]=4 349 B8R0.11 CCCCC(CC)CCl CS-W016329 [1,1,0,0,0,0|1,0,1]=4 350 B8R0.11 CCCCC(CC)CO CS-0016002 [1,1,0,0,0,0|0,0,2]=4 351 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|0,0,1]=3 352 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [1,1,0,0,0,0|1,0,1]=4 353 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [1,1,0,0,0,0|1,0,0]=3 354 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [1,1,0,0,0,0|2,0,0]=4 355 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|1,0,0]=3 356 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|1,0,0]=3 357 B8R0.5 CCOC(=O)CC(C)=O CS-0016216 [1,1,0,0,0,0|1,0,1]=4 358 B8R0.5 COCC(C)OC(C)=O CS-0198137 [1,1,0,0,0,0|2,0,0]=4 359 B8R0.21 CCCCOS(C)(=O)=O CS-W018582 [1,1,0,0,0,0|2,0,0]=4 360 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [1,1,0,0,0,0|0,0,2]=4 361 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,1,0,0,0,0|1,0,1]=4 362 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,1,0,0,0,0|0,0,0]=2 363 B8R0.28 CC(=O)\C=C\CC(C)C CS-0657803 [1,1,0,0,0,0|0,0,2]=4 364 B8R0.28 CC(C)=CCC[C@@H](C)O CS-0726318 [1,1,0,0,0,0|1,0,1]=4 365 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,1,0,0,0,0|2,0,0]=4 366 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,1,0,0,0,0|1,0,0]=3 367 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,1,0,0,0,0|2,0,0]=4 368 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|2,0,0]=4 369 B10R0.3 CC(C)CCCC(C)CCBr CS-W014739 [0,2,0,0,0,0|1,0,1]=4 370 B10R0.3 CC(C)CCCC(C)CCO CS-W010892 [0,2,0,0,0,0|1,0,1]=4 371 B10R0.3 CC(C)CCC[C@H](C)CCO CS-0695932 [0,2,0,0,0,0|1,0,1]=4 372 B10R0.3 CCCC(=O)CCCC(=O)O CS-0323350 [0,2,0,0,0,0|1,0,1]=4 373 B10R0.3 CCOC(=O)CCCC(=O)O CS-0151584 [0,2,0,0,0,0|1,0,1]=4 374 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|0,0,1]=3 375 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] CS-0158610 [0,2,0,0,0,0|2,0,0]=4 376 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [0,2,0,0,0,0|1,0,1]=4 377 B10R0.44 COC(=O)C[C@@H](N)CC(C)C CS-0498519 [0,2,0,0,0,0|1,0,0]=3 378 B10R0.59 COC(=O)CCCC(=O)OC CS-0130885 [0,2,0,0,0,0|1,0,1]=4 379 B10R0.98 CC(C)CCOC(=O)C(C)C CS-0128834 [0,2,0,0,0,0|1,0,0]=3 380 B10R0.1 C=CCCCCC(=O)OCC CS-0159602 [0,2,0,0,0,0|0,0,1]=3 381 B10R0.1 C=CCNCCC(=O)OCC CS-0124769 [0,2,0,0,0,0|0,0,2]=4 382 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [0,2,0,0,0,0|0,0,0]=2 383 B10R0.1 CCCCCCC(O)CCC CS-0320716 [0,2,0,0,0,0|0,0,2]=4 384 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|0,0,0]=2 385 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|0,0,0]=2 386 B10R0.1 CCOC(=O)COCCCCl CS-0163231 [0,2,0,0,0,0|1,0,0]=3 387 B10R0.1 CCOCCCC(=O)OCC CS-0904341 [0,2,0,0,0,0|0,0,0]=2 388 B10R0.2 CCCC(=O)CC(=O)OCC CS-W016203 [0,2,0,0,0,0|0,0,1]=3 389 B10R0.2 CCCC(O)CC(=O)OCC CS-W013272 [0,2,0,0,0,0|0,0,0]=2 390 B10R0.2 CCC[C@H](O)CC(=O)OCC CS-0834508 [0,2,0,0,0,0|0,0,0]=2 391 B10R0.2 CCOC(=N)CC(=O)OCC CS-W019993 [0,2,0,0,0,0|1,0,1]=4 392 B10R0.2 CCOC(=O)CC(=O)COC CS-W022693 [0,2,0,0,0,0|1,0,1]=4 393 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|1,0,1]=4 394 B10R0.19 CCCCC(=O)C(=O)OCC CS-0049501 [0,2,0,0,0,0|0,0,1]=3 395 B10R0.19 CCOC(=O)C(N)CCSC CS-0169308 [0,2,0,0,0,0|1,0,0]=3 396 B10R0.19 CCOC(=O)[C@@H](N)CCCN CS-0101217 [0,2,0,0,0,0|1,0,0]=3 397 B10R0.19 CCOC(=O)[C@@H](N)CCSC CS-0044991 [0,2,0,0,0,0|1,0,0]=3 398 B10R0.83 CCCCC[C@H](N)C(=O)NC CS-0310534 [0,2,0,0,0,0|1,0,0]=3 399 B10R0.83 CCCCOC(=O)[C@@H](O)CC CS-0148545 [0,2,0,0,0,0|1,0,0]=3 400 B10R0.83 COC(=O)C(N)CCCCN CS-0201761 [0,2,0,0,0,0|1,0,0]=3 401 B10R0.83 COC(=O)[C@H](N)CCCCN CS-W016710 [0,2,0,0,0,0|1,0,0]=3 402 B10R0.83 [C@H](N)(CCCCN)C(=O)OC CS-W010347 [0,2,0,0,0,0|1,0,0]=3 403 B10R0.91 C#CCOC(=O)NCCCC CS-0152104 [0,2,0,0,0,0|1,0,1]=4 404 B10R0.91 C=CCOC(=O)CCCCC CS-W014336 [0,2,0,0,0,0|0,0,1]=3 405 B10R0.91 CCCCOC(=O)CCCC CS-W016199 [0,2,0,0,0,0|1,0,0]=3 406 B10R0.156 CCCCCC(C)(O)CCC CS-0128343 [0,2,0,0,0,0|0,0,2]=4 407 B10R0.35 CCOC(=O)C(C)C(=O)CC CS-0121777 [0,2,0,0,0,0|1,0,1]=4 408 B10R0.35 CCOC(=O)C(F)C(=O)CC CS-0020726 [0,2,0,0,0,0|1,0,1]=4 409 B10R0.85 CCCCC(CC)C(=O)O[Ag] CS-0111247 [0,2,0,0,0,0|2,0,0]=4 410 B10R0.124 COC(=O)C(C)(C)CCCBr CS-0437398 [0,2,0,0,0,0|2,0,0]=4 411 B10R0.124 COC(=O)C(C)(C)CCCCl CS-0130127 [0,2,0,0,0,0|2,0,0]=4 412 B10R0.45 COC(=O)CCC(OC)OC CS-WAA0013 [0,2,0,0,0,0|2,0,0]=4 413 B10R0.18 CCCCC(=O)CC(=O)OC CS-0152392 [0,2,0,0,0,0|1,0,0]=3 414 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [0,2,0,0,0,0|1,0,1]=4 415 B10R0.18 COCCC(=O)CC(=O)OC CS-0187518 [0,2,0,0,0,0|1,0,1]=4 416 B10R0.26 CCOC(=O)CC(=O)C(C)C CS-W016205 [0,2,0,0,0,0|1,0,1]=4 417 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,2,0,0,0,0|1,0,1]=4 418 B10R0.55 COC(=O)CCCCC(C)=O CS-W022881 [0,2,0,0,0,0|1,0,0]=3 419 B10R0.74 C=CC(=O)OCCCCCC CS-0167366 [0,2,0,0,0,0|0,0,2]=4 420 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [0,2,0,0,0,0|1,0,0]=3 421 B10R0.74 CCCCCCCC(=O)NN CS-W002067 [0,2,0,0,0,0|2,0,0]=4 422 B10R0.74 CCCCCCCC(=O)NO CS-W001857 [0,2,0,0,0,0|2,0,0]=4 423 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [0,2,0,0,0,0|1,0,0]=3 424 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [0,2,0,0,0,0|2,0,0]=4 425 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [0,2,0,0,0,0|1,0,0]=3 426 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [0,2,0,0,0,0|1,0,0]=3 427 B10R0.74 COC(=O)CCCCCCN CS-W004807 [0,2,0,0,0,0|1,0,0]=3 428 B10R0.74 COC(=O)CCCCCCO CS-0059718 [0,2,0,0,0,0|1,0,0]=3 429 B10R0.75 C=C(C)C(=O)OCCOCC CS-0167821 [0,2,0,0,0,0|1,0,1]=4 430 B8R1.2 BrCC1CCCCC1 CS-W007517 [1,0,0,1,0,0|1,0,1]=4 431 B8R1.2 BrCC1CCNCC1 CS-W001304 [1,0,0,1,0,0|2,0,0]=4 432 B8R1.2 BrCC1CCOCC1 CS-W003105 [1,0,0,1,0,0|2,0,0]=4 433 B8R1.2 CCC1CCNCC1 CS-0147296 [1,0,0,1,0,0|1,0,0]=3 434 B8R1.2 CNC1CCNCC1 CS-0048783 [1,0,0,1,0,0|2,0,0]=4 435 B8R1.2 CNC1CCOCC1 CS-D1570 [1,0,0,1,0,0|2,0,0]=4 436 B8R1.2 COC1=NCCCC1 CS-0150206 [1,0,0,1,0,0|2,0,0]=4 437 B8R1.2 COC1CCNCC1 CS-0040128 [1,0,0,1,0,0|2,0,0]=4 438 B8R1.2 COC1CCNCC1 CS-W005038 [1,0,0,1,0,0|2,0,0]=4 439 B8R1.2 CSC1CCNCC1 CS-0051141 [1,0,0,1,0,0|2,0,0]=4 440 B8R1.2 ClCC1CCNCC1 CS-0051167 [1,0,0,1,0,0|2,0,0]=4 441 B8R1.2 ClCC1CCOCC1 CS-0069602 [1,0,0,1,0,0|2,0,0]=4 442 B8R1.2 ICC1CCCCC1 CS-0155327 [1,0,0,1,0,0|1,0,1]=4 443 B8R1.2 ICC1CCOCC1 CS-W001910 [1,0,0,1,0,0|2,0,0]=4 444 B8R1.2 NCC1CCNCC1 CS-W011241 [1,0,0,1,0,0|2,0,0]=4 445 B8R1.2 NCC1CCOCC1 CS-0036420 [1,0,0,1,0,0|2,0,0]=4 446 B8R1.2 NCC1CCOCC1 CS-W008973 [1,0,0,1,0,0|2,0,0]=4 447 B8R1.2 NCC1CCSCC1 CS-0045666 [1,0,0,1,0,0|2,0,0]=4 448 B8R1.2 OCC1CC=CCC1 CS-W013655 [1,0,0,1,0,0|1,0,1]=4 449 B8R1.2 OCC1CCCCC1 CS-W011242 [1,0,0,1,0,0|1,0,1]=4 450 B8R1.2 OCC1CCNCC1 CS-0185406 [1,0,0,1,0,0|2,0,0]=4 451 B8R1.2 OCC1CCNCC1 CS-W002476 [1,0,0,1,0,0|2,0,0]=4 452 B8R1.2 OCC1CCOCC1 CS-D1227 [1,0,0,1,0,0|2,0,0]=4 453 B8R1.2 OCC1CCSCC1 CS-0053969 [1,0,0,1,0,0|2,0,0]=4 454 B8R1.5 CC1CCCCC1N CS-W013646 [1,0,0,1,0,0|1,0,1]=4 455 B8R1.5 C[C@@H]1CCCC[C@@H]1N CS-0158236 [1,0,0,1,0,0|1,0,1]=4 456 B8R1.5 C[C@H]1CCCC[C@H]1N CS-0162390 [1,0,0,1,0,0|1,0,1]=4 457 B8R1.8 CCO[C@@H]1CCNC1 CS-0053329 [1,0,0,1,0,0|2,0,0]=4 458 B8R1.8 CNCC1CCOC1 CS-0048865 [1,0,0,1,0,0|2,0,0]=4 459 B8R1.8 COCC1CCNC1 CS-0058668 [1,0,0,1,0,0|2,0,0]=4 460 B8R1.8 NCCC1CCCC1 CS-W006125 [1,0,0,1,0,0|1,0,1]=4 461 B8R1.8 OCCC1CCCC1 CS-0055010 [1,0,0,1,0,0|1,0,1]=4 462 B8R1.8 OCCC1CCOC1 CS-0240119 [1,0,0,1,0,0|2,0,0]=4 463 B8R1.22 BrC1=CCCCCC1 CS-0448697 [1,0,0,1,0,0|1,0,1]=4 464 B8R1.22 BrC1CCCCCC1 CS-0146614 [1,0,0,1,0,0|1,0,1]=4 465 B8R1.22 CC1CCCNCC1 CS-0199646 [1,0,0,1,0,0|1,0,0]=3 466 B8R1.22 CN1CCCNCC1 CS-W013631 [1,0,0,1,0,0|2,0,0]=4 467 B8R1.22 ClC1CCCCCC1 CS-0155300 [1,0,0,1,0,0|1,0,1]=4 468 B8R1.22 NC1CCCCCC1 CS-0071927 [1,0,0,1,0,0|1,0,1]=4 469 B8R1.22 NC1CCCNCC1 CS-0271304 [1,0,0,1,0,0|2,0,0]=4 470 B8R1.22 OC1CCCCCC1 CS-W013633 [1,0,0,1,0,0|1,0,1]=4 471 B8R1.22 OC1CCCNCC1 CS-0038201 [1,0,0,1,0,0|2,0,0]=4 472 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|1,0,1]=4 473 B8R1.49 C1=CCCCCCC1 CS-0035172 [1,0,0,1,0,0|0,0,1]=3 474 B8R1.49 C1CCCNCCC1 CS-0204387 [1,0,0,1,0,0|1,0,0]=3 475 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|1,0,0]=3 476 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,1,0,0|2,0,0]=4 477 B8R1.1 CCC1COC(=O)O1 CS-0187002 [1,0,0,1,0,0|2,0,0]=4 478 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|2,0,0]=4 479 B8R1.1 N#C[C@@H]1CCC(=O)C1 CS-0056414 [1,0,0,1,0,0|1,0,1]=4 480 B8R1.1 NCC1CCC(=O)N1 CS-0029734 [1,0,0,1,0,0|2,0,0]=4 481 B8R1.1 NCC1CCC(=O)N1 CS-0075962 [1,0,0,1,0,0|2,0,0]=4 482 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 483 B8R1.1 NC[C@@H]1CCC(=O)N1 CS-0144990 [1,0,0,1,0,0|2,0,0]=4 484 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [1,0,0,1,0,0|2,0,0]=4 485 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|2,0,0]=4 486 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|2,0,0]=4 487 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,1,0,0|1,0,0]=3 488 B8R1.1 O=C1CCC(CO)N1 CS-W001608 [1,0,0,1,0,0|2,0,0]=4 489 B8R1.1 O=C1CCC(CO)O1 CS-0113560 [1,0,0,1,0,0|2,0,0]=4 490 B8R1.1 O=C1CC[C@@H](CBr)N1 CS-B0460 [1,0,0,1,0,0|2,0,0]=4 491 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [1,0,0,1,0,0|2,0,0]=4 492 B8R1.1 O=C1CC[C@H](CO)N1 CS-W001840 [1,0,0,1,0,0|2,0,0]=4 493 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [1,0,0,1,0,0|0,0,0]=2 494 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [1,0,0,1,0,0|1,0,0]=3 495 B8R1.3 CC1CCC(O)CC1 CS-0059254 [1,0,0,1,0,0|0,0,2]=4 496 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [1,0,0,1,0,0|2,0,0]=4 497 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|1,0,0]=3 498 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [1,0,0,1,0,0|2,0,0]=4 499 B8R1.3 C[C@H]1CC[C@@H](N)CC1 CS-0170852 [1,0,0,1,0,0|1,0,1]=4 500 B8R1.3 C[C@H]1CC[C@@H](O)CC1 CS-0180937 [1,0,0,1,0,0|0,0,2]=4 501 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W003376 [1,0,0,1,0,0|1,0,1]=4 502 B8R1.3 C[C@H]1CC[C@H](N)CC1 CS-W011254 [1,0,0,1,0,0|1,0,1]=4 503 B8R1.3 C[C@H]1CC[C@H](O)CC1 CS-0180938 [1,0,0,1,0,0|0,0,2]=4 504 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [1,0,0,1,0,0|2,0,0]=4 505 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|1,0,0]=3 506 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|2,0,0]=4 507 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [1,0,0,1,0,0|2,0,0]=4 508 B8R1.3 O=C1CCC(=O)CC1 CS-W011270 [1,0,0,1,0,0|1,0,1]=4 509 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [1,0,0,1,0,0|1,0,0]=3 510 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [1,0,0,1,0,0|2,0,0]=4 511 B8R1.3 O=C1CCS(=O)CC1 CS-0188184 [1,0,0,1,0,0|2,0,0]=4 512 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|2,0,0]=4 513 B8R1.38 CCC(N)C1CCC1 CS-0655543 [1,0,0,1,0,0|1,0,1]=4 514 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [1,0,0,1,0,0|2,0,0]=4 515 B8R1.38 COC(=O)C1CCC1 CS-W013640 [1,0,0,1,0,0|1,0,0]=3 516 B8R1.38 COC(=O)C1CNC1 CS-D1541 [1,0,0,1,0,0|2,0,0]=4 517 B8R1.38 COC(=O)C1COC1 CS-0045513 [1,0,0,1,0,0|2,0,0]=4 518 B8R1.38 O=C(CCl)N1CCC1 CS-0054578 [1,0,0,1,0,0|2,0,0]=4 519 B8R1.40 NCC(=O)NC1CC1 CS-0077363 [1,0,0,1,0,0|2,0,0]=4 520 B8R1.40 O=C(CBr)NC1CC1 CS-0627309 [1,0,0,1,0,0|2,0,0]=4 521 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [1,0,0,1,0,0|1,0,1]=4 522 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [1,0,0,1,0,0|1,0,1]=4 523 B8R1.52 CCC1(O)CCCC1 CS-W013632 [1,0,0,1,0,0|0,0,2]=4 524 B8R1.52 CC[N+]1(C)CCCC1 CS-0185898 [1,0,0,1,0,0|2,0,0]=4 525 B8R1.52 CC[N+]1(C)CCCC1 CS-W015752 [1,0,0,1,0,0|2,0,0]=4 526 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|0,0,2]=4 527 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|1,0,0]=3 528 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|1,0,0]=3 529 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|1,0,0]=3 530 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|1,0,0]=3 531 B8R1.4 CC1CCCC(N)C1 CS-D0430 [1,0,0,1,0,0|1,0,1]=4 532 B8R1.4 CC1COCC(=O)N1 CS-0146686 [1,0,0,1,0,0|2,0,0]=4 533 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 534 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|2,0,0]=4 535 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|1,0,0]=3 536 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|1,0,0]=3 537 B8R1.4 C[C@@H]1COCC(=O)N1 CS-0059832 [1,0,0,1,0,0|2,0,0]=4 538 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|1,0,0]=3 539 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0015754 [1,0,0,1,0,0|1,0,1]=4 540 B8R1.4 C[C@H]1CCC[C@@H](C)N1 CS-0995219 [1,0,0,1,0,0|1,0,1]=4 541 B8R1.4 C[C@H]1COCC(=O)N1 CS-W023097 [1,0,0,1,0,0|2,0,0]=4 542 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 543 B8R1.4 O=C1CC(O)CCN1 CS-W003628 [1,0,0,1,0,0|2,0,0]=4 544 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|1,0,1]=4 545 B8R1.4 O=C1C[C@@H](O)CCN1 CS-W021175 [1,0,0,1,0,0|2,0,0]=4 546 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 547 B8R1.6 COCC1CC(=O)C1 CS-0416147 [1,0,0,1,0,0|1,0,0]=3 548 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|0,0,0]=2 549 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [1,0,0,1,0,0|1,0,0]=3 550 B8R1.7 CC(N)C1CCCC1 CS-0052581 [1,0,0,1,0,0|1,0,1]=4 551 B8R1.7 CC(O)C1CCCC1 CS-0144924 [1,0,0,1,0,0|0,0,2]=4 552 B8R1.7 C[C@H](N)C1CCCC1 CS-0135384 [1,0,0,1,0,0|1,0,1]=4 553 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|1,0,0]=3 554 B8R1.7 NC(=O)C1CCCN1 CS-0450473 [1,0,0,1,0,0|2,0,0]=4 555 B8R1.7 NC(=O)C1CCCN1 CS-W005850 [1,0,0,1,0,0|2,0,0]=4 556 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-D1209 [1,0,0,1,0,0|2,0,0]=4 557 B8R1.7 NC(=O)[C@@H]1CCCN1 CS-W018129 [1,0,0,1,0,0|2,0,0]=4 558 B8R1.7 NC(=O)[C@H]1CCCN1 CS-W013637 [1,0,0,1,0,0|2,0,0]=4 559 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [1,0,0,1,0,0|2,0,0]=4 560 B8R1.7 NC(=S)C1CCCC1 CS-0468896 [1,0,0,1,0,0|1,1,0]=4 561 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 562 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|2,0,0]=4 563 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|2,0,0]=4 564 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|2,0,0]=4 565 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|2,0,0]=4 566 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|2,0,0]=4 567 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|2,0,0]=4 568 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|2,0,0]=4 569 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|2,0,0]=4 570 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|2,0,0]=4 571 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|2,0,0]=4 572 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|2,0,0]=4 573 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|2,0,0]=4 574 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|2,0,0]=4 575 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|2,0,0]=4 576 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|2,0,0]=4 577 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|2,0,0]=4 578 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|2,0,0]=4 579 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [1,0,0,1,0,0|2,0,0]=4 580 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,0]=3 581 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|2,0,0]=4 582 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|1,0,0]=3 583 B8R1.72 CC1(O)CCCCC1 CS-W013634 [1,0,0,1,0,0|0,0,2]=4 584 B8R1.72 C[N+]1(C)CCCCC1 CS-W018164 [1,0,0,1,0,0|2,0,0]=4 585 B8R1.72 N=S1(=O)CCCCC1 CS-0134127 [1,0,0,1,0,0|2,0,0]=4 586 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|0,0,0]=2 587 B10R1.13 CC(C)N1CCC(=O)CC1 CS-0028222 [0,1,0,1,0,0|1,0,0]=3 588 B10R1.13 CC1CCC(C(C)C)CC1 CS-0742316 [0,1,0,1,0,0|1,0,1]=4 589 B10R1.13 CN(C)C1CCC(=O)CC1 CS-W003582 [0,1,0,1,0,0|1,0,0]=3 590 B10R1.13 NC(=O)C1CCC(=O)CC1 CS-W022230 [0,1,0,1,0,0|1,0,1]=4 591 B10R1.13 O=C1CCC(C(=O)O)CC1 CS-W004786 [0,1,0,1,0,0|1,0,1]=4 592 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,1,0,0|1,0,1]=4 593 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|1,0,0]=3 594 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,1,0,0|1,0,0]=3 595 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,1,0,1,0,0|2,0,0]=4 596 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,1,0,0|1,0,1]=4 597 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,1,0,1,0,0|1,0,0]=3 598 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,1,0,0|1,0,0]=3 599 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,1,0,0|1,0,0]=3 600 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,1,0,1,0,0|1,0,0]=3 601 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112554 [0,1,0,1,0,0|2,0,0]=4 602 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|2,0,0]=4 603 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 CS-0049284 [0,1,0,1,0,0|2,0,0]=4 604 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|2,0,0]=4 605 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,1,0,1,0,0|1,0,0]=3 606 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,1,0,0|1,0,0]=3 607 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 CS-0049291 [0,1,0,1,0,0|2,0,0]=4 608 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|2,0,0]=4 609 B10R1.14 COC(=O)[C@H]1C[C@H](F)CN1 CS-0112546 [0,1,0,1,0,0|2,0,0]=4 610 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 CS-W006629 [0,1,0,1,0,0|2,0,0]=4 611 B10R1.54 CC(C)CC1CNC(=O)C1 CS-0154054 [0,1,0,1,0,0|1,0,0]=3 612 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,1,0,1,0,0|1,0,0]=3 613 B10R1.54 CC(C)C[C@H]1COC(=O)N1 CS-0316426 [0,1,0,1,0,0|2,0,0]=4 614 B10R1.54 O=C(O)CC1CCC(=O)C1 CS-0145408 [0,1,0,1,0,0|1,0,1]=4 615 B10R1.150 COC(=O)CC1CC(=O)C1 CS-W006735 [0,1,0,1,0,0|1,0,1]=4 616 B10R1.150 COC(=O)CC1CC(O)C1 CS-0049208 [0,1,0,1,0,0|1,0,0]=3 617 B10R1.10 CCCC1CCCC(=O)O1 CS-W018288 [0,1,0,1,0,0|1,0,0]=3 618 B10R1.11 CCNC(=O)[C@@H]1CCCN1 CS-0151982 [0,1,0,1,0,0|1,0,0]=3 619 B10R1.11 CCOC(=O)C1=CCCC1 CS-0199679 [0,1,0,1,0,0|0,0,2]=4 620 B10R1.11 CCOC(=O)C1CCCC1 CS-0235375 [0,1,0,1,0,0|0,0,0]=2 621 B10R1.11 CCOC(=O)C1CCCO1 CS-0109401 [0,1,0,1,0,0|1,0,0]=3 622 B10R1.11 CCOC(=O)C1CCNC1 CS-W003865 [0,1,0,1,0,0|1,0,0]=3 623 B10R1.11 CCOC(=O)[C@@H]1CCCN1 CS-0120026 [0,1,0,1,0,0|1,0,0]=3 624 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CS-0187945 [0,1,0,1,0,0|1,0,0]=3 625 B10R1.11 CCOC(=O)[C@@H]1CSCN1 CS-0043107 [0,1,0,1,0,0|2,0,0]=4 626 B10R1.11 CCOC(=O)[C@H]1CCCN1 CS-0120429 [0,1,0,1,0,0|1,0,0]=3 627 B10R1.11 N#CCC(=O)C1CCCC1 CS-0053864 [0,1,0,1,0,0|0,0,1]=3 628 B10R1.11 N#CCC(=O)N1CCCC1 CS-0309205 [0,1,0,1,0,0|1,0,1]=4 629 B10R1.19 CCN1CCCCCC1=O CS-0999264 [0,1,0,1,0,0|0,0,0]=2 630 B10R1.29 CCCCN1CCCC1=O CS-W016436 [0,1,0,1,0,0|1,0,0]=3 631 B10R1.29 N#CCCC1CCCC1=O CS-0511196 [0,1,0,1,0,0|1,0,1]=4 632 B10R1.29 NCCCN1CCCC1=O CS-0071095 [0,1,0,1,0,0|2,0,0]=4 633 B10R1.29 O=C1CCCN1CCCO CS-W013319 [0,1,0,1,0,0|2,0,0]=4 634 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|0,0,0]=2 635 B10R1.85 ClCCN1CCCCCC1 CS-0008534 [0,1,0,1,0,0|2,0,0]=4 636 B10R1.85 NCCN1CCCCCC1 CS-0112526 [0,1,0,1,0,0|2,0,0]=4 637 B10R1.85 OCCN1CCCCCC1 CS-B0251 [0,1,0,1,0,0|2,0,0]=4 638 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|1,0,1]=4 639 B10R1.135 CCOC(=O)C1CC1C=O CS-0106625 [0,1,0,1,0,0|1,0,1]=4 640 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N CS-0049662 [0,1,0,1,0,0|1,0,1]=4 641 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N CS-0054373 [0,1,0,1,0,0|1,0,1]=4 642 B10R1.137 CCOC(=O)C=C1CCC1 CS-0038534 [0,1,0,1,0,0|0,0,2]=4 643 B10R1.137 CCOC(=O)CC1COC1 CS-W000466 [0,1,0,1,0,0|1,0,0]=3 644 B10R1.138 CCCC(=O)OC[C@@H]1CO1 CS-0135409 [0,1,0,1,0,0|2,0,0]=4 645 B10R1.138 CCCC(=O)OC[C@H]1CO1 CS-D1790 [0,1,0,1,0,0|2,0,0]=4 646 B10R1.138 CCOC(=O)CNC1CC1 CS-0249130 [0,1,0,1,0,0|1,0,0]=3 647 B10R1.138 CCOC(=O)\C=C\C1CC1 CS-0198295 [0,1,0,1,0,0|0,0,2]=4 648 B10R1.377 CCC[N+]1(C)CCCCC1 CS-0152568 [0,1,0,1,0,0|2,0,0]=4 649 B10R1.15 C=CC(=O)N1CCCCC1 CS-0159790 [0,1,0,1,0,0|0,0,2]=4 650 B10R1.15 CCC(=O)C1CCCCC1 CS-0069673 [0,1,0,1,0,0|0,0,0]=2 651 B10R1.15 CCC(=O)C1CCNCC1 CS-0152647 [0,1,0,1,0,0|0,0,0]=2 652 B10R1.15 CCC(=O)C1CCOCC1 CS-0069622 [0,1,0,1,0,0|0,0,0]=2 653 B10R1.15 CCC(O)C1CCNCC1 CS-0083895 [0,1,0,1,0,0|0,0,2]=4 654 B10R1.15 CC[C@H](N)C1CCCCC1 CS-0153930 [0,1,0,1,0,0|1,0,1]=4 655 B10R1.15 CNC(=O)C1CCCNC1 CS-0094687 [0,1,0,1,0,0|1,0,0]=3 656 B10R1.15 CNC(=O)C1CCNCC1 CS-0141261 [0,1,0,1,0,0|1,0,0]=3 657 B10R1.15 COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|1,0,1]=4 658 B10R1.15 COC(=O)C1CC=CCC1 CS-W014366 [0,1,0,1,0,0|1,0,1]=4 659 B10R1.15 COC(=O)C1CCCCN1 CS-0043132 [0,1,0,1,0,0|1,0,0]=3 660 B10R1.15 COC(=O)C1CCCCN1 CS-W003366 [0,1,0,1,0,0|1,0,0]=3 661 B10R1.15 COC(=O)C1CCCCO1 CS-W001905 [0,1,0,1,0,0|1,0,0]=3 662 B10R1.15 COC(=O)C1CCCNC1 CS-0042814 [0,1,0,1,0,0|1,0,0]=3 663 B10R1.15 COC(=O)C1CCCNC1 CS-W005063 [0,1,0,1,0,0|1,0,0]=3 664 B10R1.15 COC(=O)C1CCCOC1 CS-W001863 [0,1,0,1,0,0|1,0,0]=3 665 B10R1.15 COC(=O)C1CCNCC1 CS-W002947 [0,1,0,1,0,0|1,0,0]=3 666 B10R1.15 COC(=O)C1CCNCC1 CS-W016419 [0,1,0,1,0,0|1,0,0]=3 667 B10R1.15 COC(=O)C1CCOCC1 CS-D1156 [0,1,0,1,0,0|1,0,0]=3 668 B10R1.15 COC(=O)C1CNCCN1 CS-0094441 [0,1,0,1,0,0|2,0,0]=4 669 B10R1.15 COC(=O)C1CNCCO1 CS-0036148 [0,1,0,1,0,0|2,0,0]=4 670 B10R1.15 COC(=O)C1COCCN1 CS-D1697 [0,1,0,1,0,0|2,0,0]=4 671 B10R1.15 COC(=O)N1CCCCC1 CS-0200219 [0,1,0,1,0,0|1,0,0]=3 672 B10R1.15 COC(=O)N1CCNCC1 CS-0069574 [0,1,0,1,0,0|2,0,0]=4 673 B10R1.15 COC(=O)[C@@H]1CC=CCC1 CS-0051390 [0,1,0,1,0,0|1,0,1]=4 674 B10R1.15 COC(=O)[C@@H]1CCCCN1 CS-W001485 [0,1,0,1,0,0|1,0,0]=3 675 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-0040391 [0,1,0,1,0,0|1,0,0]=3 676 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-M0789 [0,1,0,1,0,0|1,0,0]=3 677 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159658 [0,1,0,1,0,0|2,0,0]=4 678 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159659 [0,1,0,1,0,0|2,0,0]=4 679 B10R1.15 COC(=O)[C@@H]1CNCCO1 CS-0042560 [0,1,0,1,0,0|2,0,0]=4 680 B10R1.15 COC(=O)[C@@H]1COCCN1 CS-W003693 [0,1,0,1,0,0|2,0,0]=4 681 B10R1.15 COC(=O)[C@H]1CCCCN1 CS-D1721 [0,1,0,1,0,0|1,0,0]=3 682 B10R1.15 COC(=O)[C@H]1CCCNC1 CS-M2670 [0,1,0,1,0,0|1,0,0]=3 683 B10R1.15 COC(=O)[C@H]1CNCCN1 CS-0049294 [0,1,0,1,0,0|2,0,0]=4 684 B10R1.15 COC(=O)[C@H]1CNCCO1 CS-0103649 [0,1,0,1,0,0|2,0,0]=4 685 B10R1.15 COC(=O)[C@H]1COCCN1 CS-0109445 [0,1,0,1,0,0|2,0,0]=4 686 B10R1.15 COC(=O)[C@H]1COCCN1 CS-W004178 [0,1,0,1,0,0|2,0,0]=4 687 B10R1.15 NCC(=O)N1CCCCC1 CS-0186529 [0,1,0,1,0,0|1,0,0]=3 688 B10R1.15 NCC(=O)N1CCOCC1 CS-0155196 [0,1,0,1,0,0|2,0,0]=4 689 B10R1.15 NCC(=O)N1CCOCC1 CS-0199378 [0,1,0,1,0,0|2,0,0]=4 690 B10R1.15 O=C(CBr)C1CCCCC1 CS-W020448 [0,1,0,1,0,0|1,0,0]=3 691 B10R1.15 O=C(CBr)C1CCOCC1 CS-0045281 [0,1,0,1,0,0|1,0,0]=3 692 B10R1.15 O=C(CBr)N1CCOCC1 CS-0139505 [0,1,0,1,0,0|2,0,0]=4 693 B10R1.15 O=C(CCl)N1CCCCC1 CS-W021632 [0,1,0,1,0,0|1,0,0]=3 694 B10R1.15 O=C(CCl)N1CCOCC1 CS-W021985 [0,1,0,1,0,0|2,0,0]=4 695 B10R1.15 O=C(CO)N1CCOCC1 CS-0028591 [0,1,0,1,0,0|2,0,0]=4 696 B10R1.15 [C@@H]1(C(=O)OC)COCCN1 CS-0044006 [0,1,0,1,0,0|2,0,0]=4 697 B10R1.182 COC(=O)[C@@H](N)C1CCC1 CS-D0197 [0,1,0,1,0,0|1,0,0]=3 698 B10R1.184 COC(=O)[C@@H](N)CC1CC1 CS-0162013 [0,1,0,1,0,0|1,0,0]=3 699 B10R1.184 COC(=O)[C@H](O)CC1CC1 CS-0137761 [0,1,0,1,0,0|1,0,0]=3 700 B10R1.275 CN1CCCC[C@H](N)C1=O CS-0151092 [0,1,0,1,0,0|1,0,0]=3 701 B10R1.411 COC(=O)C1(F)CCNC1 CS-0035887 [0,1,0,1,0,0|2,0,0]=4 702 B10R1.411 COC(=O)C1(N)CCCC1 CS-B0437 [0,1,0,1,0,0|1,0,0]=3 703 B10R1.411 COC(=O)C1(N)CCOC1 CS-0029612 [0,1,0,1,0,0|2,0,0]=4 704 B10R1.411 COC(=O)[C@@]1(C)CCCN1 CS-0047071 [0,1,0,1,0,0|2,0,0]=4 705 B10R1.411 COC(=O)[C@]1(C)CCCN1 CS-0049287 [0,1,0,1,0,0|2,0,0]=4 706 B10R1.300 O=C1NCCCCC1(Br)Br CS-0036593 [0,1,0,1,0,0|2,0,0]=4 707 B10R1.473 CC[N+]1(C)CCC(=O)CC1 CS-0029582 [0,1,0,1,0,0|1,0,0]=3 708 B10R1.27 COC(=O)CC1CCOC1 CS-0104771 [0,1,0,1,0,0|1,0,0]=3 709 B10R1.27 COC(=O)C[C@@H]1CCCN1 CS-W021179 [0,1,0,1,0,0|1,0,0]=3 710 B10R1.27 COC(=O)C[C@@H]1CCNC1 CS-0187829 [0,1,0,1,0,0|1,0,0]=3 711 B10R1.27 COC(=O)C[C@H]1CCNC1 CS-0187993 [0,1,0,1,0,0|1,0,0]=3 712 B10R1.27 O=C(CCl)NC1CCCC1 CS-B1572 [0,1,0,1,0,0|1,0,0]=3 713 B10R1.134 COC(=O)CC(=O)C1CC1 CS-W007911 [0,1,0,1,0,0|1,0,1]=4 714 B10R1.149 COC(=O)C1CCCC1=O CS-0007582 [0,1,0,1,0,0|1,0,1]=4 715 B10R1.149 COC(=O)[C@@H]1CCCN1C CS-0450221 [0,1,0,1,0,0|1,0,0]=3 716 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N CS-0375992 [0,1,0,1,0,0|1,0,0]=3 717 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O CS-0049292 [0,1,0,1,0,0|2,0,0]=4 718 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C CS-0645794 [0,1,0,1,0,0|1,0,0]=3 719 B10R1.149 COC(=O)[C@H]1COC[C@H]1N CS-0341507 [0,1,0,1,0,0|2,0,0]=4 720 B10R1.1 C#CCN1CCC(=O)CC1 CS-0540006 [0,1,0,1,0,0|0,0,2]=4 721 B10R1.1 CCCC1CCC(=O)CC1 CS-W002273 [0,1,0,1,0,0|0,0,0]=2 722 B10R1.1 CCO[C@H]1CC[C@H](N)CC1 CS-0434286 [0,1,0,1,0,0|1,0,1]=4 723 B10R1.1 CN1CCC(CCO)CC1 CS-0052318 [0,1,0,1,0,0|2,0,0]=4 724 B10R1.1 N#CCC1CCC(=O)CC1 CS-0127778 [0,1,0,1,0,0|0,0,1]=3 725 B10R1.1 O=C1CCC(CCO)CC1 CS-0054946 [0,1,0,1,0,0|0,0,0]=2 726 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [0,1,0,1,0,0|0,0,0]=2 727 B10R1.161 OCC1CCCCCCC1 CS-0072541 [0,1,0,1,0,0|0,0,2]=4 728 B10R1.161 ON=C1CCCCCCC1 CS-0368253 [0,1,0,1,0,0|0,0,1]=3 729 B10R1.175 O=C(O[Na])C1CCC1CO CS-0433319 [0,1,0,1,0,0|2,0,0]=4 730 B10R1.23 C[C@H](O)C(=O)N1CCCC1 CS-0059827 [0,1,0,1,0,0|1,0,0]=3 731 B10R1.114 CC1(C)C(=O)CCCC1=O CS-0052186 [0,1,0,1,0,0|1,0,1]=4 732 B10R1.262 CCOC1CC(=O)C1(C)C CS-0057631 [0,1,0,1,0,0|1,0,0]=3 733 B10R1.363 CC(C)C1(O)CCCCC1 CS-0069571 [0,1,0,1,0,0|0,0,2]=4 734 B10R2.178 O=C1CCC2CCC1N2 CS-0049978 [0,0,0,2,0,0|1,0,0]=3 735 B10R2.335 NC1CCC2(CC1)CC2 CS-0058015 [0,0,0,2,0,0|1,0,1]=4 736 B10R2.335 O=C1CCC2(CC1)CC2 CS-0038018 [0,0,0,2,0,0|0,0,0]=2 737 B10R2.335 O=C1COC2(CC2)CN1 CS-0128636 [0,0,0,2,0,0|2,0,0]=4 738 B10R2.2 NN1CC2CCCC2C1 CS-W010850 [0,0,0,2,0,0|2,0,0]=4 739 B10R2.14 O=C1CC(C2CC2)CN1 CS-0006071 [0,0,0,2,0,0|1,0,0]=3 740 B10R2.32 O=C1CCN2CCCC12 CS-0628873 [0,0,0,2,0,0|1,0,0]=3 741 B10R2.332 O=C1CC2(CCC2)CN1 CS-0067407 [0,0,0,2,0,0|1,0,0]=3 742 B10R2.332 O=C1CC2(CN1)COC2 CS-W000315 [0,0,0,2,0,0|2,0,0]=4 743 B10R2.332 O=C1CCC2(CCC2)N1 CS-0197449 [0,0,0,2,0,0|1,0,0]=3 744 B10R2.18 C1CCCC2OC2CC1 CS-0450617 [0,0,0,2,0,0|0,0,2]=4