0 B8R0.6 C#CCCCC(=O)OC CS-0127624 [0,0,0,0,0,0|1,0,1]=2 1 B8R0.6 C=CC(=O)CCCCC CS-0168504 [0,0,0,0,0,0|2,0,1]=3 2 B8R0.6 C=CC(=O)NCCCC CS-0152107 [0,0,0,0,0,0|3,0,1]=4 3 B8R0.6 C=CCCCC(=O)OC CS-0015919 [0,0,0,0,0,0|1,0,1]=2 4 B8R0.6 CCCCCC(=O)NN CS-0152328 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.6 CCCCCC(O)CC CS-0152331 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.6 CCCCC[C@@H](O)CC CS-0464840 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.6 CCCCNC(=O)CCl CS-0116592 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.6 CCCCOC(=O)CN CS-0571899 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.6 CCCCOC(=O)CS CS-0297731 [0,0,0,0,0,0|4,0,0]=4 10 B8R0.6 CCC\C=C\C(=O)OC CS-W013465 [0,0,0,0,0,0|1,0,2]=3 11 B8R0.6 CNCCCC(=O)OC CS-0112438 [0,0,0,0,0,0|1,0,0]=1 12 B8R0.6 COC(=O)CCCC#N CS-0216788 [0,0,0,0,0,0|2,0,0]=2 13 B8R0.6 COC(=O)CCCCBr CS-W022866 [0,0,0,0,0,0|2,0,0]=2 14 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,0,0,0,0,0|2,0,0]=2 15 B8R0.6 COC(=O)CCCCN CS-0018002 [0,0,0,0,0,0|2,0,0]=2 16 B8R0.6 COC(=O)CCCCO CS-0021769 [0,0,0,0,0,0|2,0,0]=2 17 B8R0.6 COC(=O)COCCCl CS-0209481 [0,0,0,0,0,0|3,0,0]=3 18 B8R0.6 COCCCC(=O)OC CS-W011093 [0,0,0,0,0,0|0,1,0]=1 19 B8R0.6 COC\C=C\C(=O)OC CS-0528723 [0,0,0,0,0,0|0,1,2]=3 20 B8R0.6 C\C=C\C=C\C(=O)OC CS-0069857 [0,0,0,0,0,0|1,0,3]=4 21 B8R0.6 C\C=C\C=C\C(=O)OC CS-0898360 [0,0,0,0,0,0|1,0,3]=4 22 B8R0.6 O=C(CCCCO)O[Na] CS-0047732 [0,0,0,0,0,0|3,0,0]=3 23 B7R0.3 C#CCCC(=O)OC CS-0137200 [1,0,0,0,0,0|0,0,2]=3 24 B7R0.3 C=CCCC(=O)OC CS-0187527 [1,0,0,0,0,0|0,0,2]=3 25 B7R0.3 C=CCOC(=O)OC CS-0040098 [1,0,0,0,0,0|1,0,2]=4 26 B7R0.3 CCCCC(=O)O[Na] CS-W007087 [1,0,0,0,0,0|1,0,0]=2 27 B7R0.3 CCCC\C(O)=N\N CS-W013606 [1,0,0,0,0,0|2,0,1]=4 28 B7R0.3 CCCNC(=O)CCl CS-0074801 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.3 CCCOC(=O)OC CS-0111112 [1,0,0,0,0,0|1,0,0]=2 30 B7R0.3 CNCCC(=O)OC CS-0150994 [1,0,0,0,0,0|1,0,0]=2 31 B7R0.3 COC(=O)C#CCO CS-0029743 [1,0,0,0,0,0|0,1,2]=4 32 B7R0.3 COC(=O)CCC#N CS-W009546 [1,0,0,0,0,0|1,0,1]=3 33 B7R0.3 COC(=O)CCCBr CS-W004701 [1,0,0,0,0,0|1,0,0]=2 34 B7R0.3 COC(=O)CCCCl CS-0001466 [1,0,0,0,0,0|1,0,0]=2 35 B7R0.3 COC(=O)CCCI CS-0001467 [1,0,0,0,0,0|1,0,0]=2 36 B7R0.3 COC(=O)CCCN CS-W019991 [1,0,0,0,0,0|1,0,0]=2 37 B7R0.3 COC(=O)CCSC CS-0128902 [1,0,0,0,0,0|0,0,0]=1 38 B7R0.3 COC(=O)CNC=O CS-0187476 [1,0,0,0,0,0|1,1,1]=4 39 B7R0.3 COC(=O)\C=C\CBr CS-0146524 [1,0,0,0,0,0|1,0,2]=4 40 B7R0.3 COC(=O)\C=C\CBr CS-W008761 [1,0,0,0,0,0|1,0,2]=4 41 B7R0.3 COC(=O)\C=C\CN CS-0187948 [1,0,0,0,0,0|1,0,2]=4 42 B7R0.3 COCCC(=O)OC CS-0072438 [1,0,0,0,0,0|0,1,0]=2 43 B7R0.3 CO\C=C\C(=O)OC CS-0076974 [1,0,0,0,0,0|0,1,2]=4 44 B7R0.3 CO\C=C\C(=O)OC CS-W007972 [1,0,0,0,0,0|0,1,2]=4 45 B7R0.3 O=C(CNCO)O[Na] CS-W019206 [1,0,0,0,0,0|2,1,0]=4 46 B7R0.4 C#CCCCC(=O)O CS-W009272 [1,0,0,0,0,0|1,0,1]=3 47 B7R0.4 C#CCOCC(=O)O CS-0070099 [1,0,0,0,0,0|2,0,1]=4 48 B7R0.4 C=CCCCC(=O)O CS-0113496 [1,0,0,0,0,0|1,0,1]=3 49 B7R0.4 CC(=O)CCCCCl CS-W013363 [1,0,0,0,0,0|2,0,0]=3 50 B7R0.4 CC(=O)OCCCCl CS-W017752 [1,0,0,0,0,0|3,0,0]=4 51 B7R0.4 CC(=O)OCCCI CS-0166646 [1,0,0,0,0,0|3,0,0]=4 52 B7R0.4 CCCCCB(O)O CS-W018820 [1,0,0,0,0,0|2,0,1]=4 53 B7R0.4 CCCCCC(C)O CS-W016595 [1,0,0,0,0,0|1,0,2]=4 54 B7R0.4 CCCCC[C@@H](C)O CS-0152365 [1,0,0,0,0,0|1,0,2]=4 55 B7R0.4 CCCCC[C@H](C)O CS-0179417 [1,0,0,0,0,0|1,0,2]=4 56 B7R0.4 CCCCNC(N)=O CS-0071736 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.4 CCCNCC(=O)O CS-0250530 [1,0,0,0,0,0|2,0,0]=3 58 B7R0.4 CCCOCC(=O)O CS-0152048 [1,0,0,0,0,0|2,0,0]=3 59 B7R0.4 CCCSCC(=O)O CS-0651549 [1,0,0,0,0,0|2,0,0]=3 60 B7R0.4 CCC\C=C\C(=O)O CS-W011247 [1,0,0,0,0,0|1,0,2]=4 61 B7R0.4 CCC\C=C\C(C)=O CS-0152429 [1,0,0,0,0,0|1,0,2]=4 62 B7R0.4 CC\C=C\CC(=O)O CS-W011248 [1,0,0,0,0,0|1,0,2]=4 63 B7R0.4 CNCCCC(=O)O CS-0096860 [1,0,0,0,0,0|1,0,0]=2 64 B7R0.4 CNCCCC(=O)O CS-0133777 [1,0,0,0,0,0|1,0,0]=2 65 B7R0.4 COCCCC(=O)O CS-W001021 [1,0,0,0,0,0|0,1,0]=2 66 B7R0.4 COC\C=C\C(=O)O CS-0100437 [1,0,0,0,0,0|0,1,2]=4 67 B7R0.4 C\C=C\CCC(=O)O CS-0232064 [1,0,0,0,0,0|1,0,1]=3 68 B7R0.4 N#CCCCC(=O)O CS-W018817 [1,0,0,0,0,0|2,0,0]=3 69 B7R0.4 NCCCCC(=O)O CS-0181832 [1,0,0,0,0,0|2,0,0]=3 70 B7R0.4 NCCCCC(=O)O CS-W016594 [1,0,0,0,0,0|2,0,0]=3 71 B7R0.4 NCCNCC(=O)O CS-W013599 [1,0,0,0,0,0|3,0,0]=4 72 B7R0.4 NCCOCC(=O)O CS-0115741 [1,0,0,0,0,0|3,0,0]=4 73 B7R0.4 NCCOCC(=O)O CS-0115743 [1,0,0,0,0,0|3,0,0]=4 74 B7R0.4 NCCOCC(=O)O CS-0127947 [1,0,0,0,0,0|3,0,0]=4 75 B7R0.4 O=C(O)CCCCBr CS-W017172 [1,0,0,0,0,0|2,0,0]=3 76 B7R0.4 O=C(O)CCCCCl CS-W022362 [1,0,0,0,0,0|2,0,0]=3 77 B7R0.4 O=C(O)CNCCO CS-0158315 [1,0,0,0,0,0|3,0,0]=4 78 B7R0.4 O=C(O)COCCBr CS-0105329 [1,0,0,0,0,0|3,0,0]=4 79 B7R0.4 O=C(O)COCCCl CS-W006556 [1,0,0,0,0,0|3,0,0]=4 80 B7R0.4 O=C(O)COCCS CS-0115755 [1,0,0,0,0,0|3,0,0]=4 81 B7R0.4 O=C(O)COCCS CS-0115757 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.1 COC(=O)CCCC(=O)O CS-W018239 [0,1,0,0,0,0|2,0,0]=3 83 B9R0.1 COC(=O)CCCC(C)=O CS-0090564 [0,1,0,0,0,0|1,0,0]=2 84 B9R0.1 COC(=O)CCC[N+](=O)[O-] CS-0039131 [0,1,0,0,0,0|2,0,0]=3 85 B9R0.5 C#CCCCC(=O)OCC CS-0532490 [0,1,0,0,0,0|1,0,1]=3 86 B9R0.5 CCC\C=C\C(=O)OCC CS-W018283 [0,1,0,0,0,0|1,0,2]=4 87 B9R0.5 CCOC(=O)CCCC#N CS-0151586 [0,1,0,0,0,0|2,0,0]=3 88 B9R0.5 CCOC(=O)CCCCBr CS-W008658 [0,1,0,0,0,0|2,0,0]=3 89 B9R0.5 CCOC(=O)CCCCN CS-W022699 [0,1,0,0,0,0|2,0,0]=3 90 B9R0.5 CCOC(=O)COCCCl CS-W018917 [0,1,0,0,0,0|3,0,0]=4 91 B9R0.5 CCOCCC(=O)OCC CS-W013312 [0,1,0,0,0,0|2,0,0]=3 92 B9R0.8 CCCCC(Br)C(=O)OC CS-M2020 [0,1,0,0,0,0|1,0,0]=2 93 B9R0.8 CCCCC(N)C(=O)OC CS-W017144 [0,1,0,0,0,0|1,0,0]=2 94 B9R0.8 CCCC[C@H](N)C(=O)OC CS-0152444 [0,1,0,0,0,0|1,0,0]=2 95 B9R0.8 COC(=O)C(Br)CCCBr CS-0150917 [0,1,0,0,0,0|2,0,0]=3 96 B9R0.8 COC(=O)C(N)CCSC CS-0169307 [0,1,0,0,0,0|0,0,0]=1 97 B9R0.8 COC(=O)[C@@H](N)CCCN CS-W010477 [0,1,0,0,0,0|2,0,0]=3 98 B9R0.8 COC(=O)[C@@H](N)CCSC CS-W015632 [0,1,0,0,0,0|0,0,0]=1 99 B9R0.8 COC(=O)[C@H](N)CCSC CS-W015633 [0,1,0,0,0,0|0,0,0]=1 100 B9R0.20 CCCCCS(=O)(=O)O[Na] CS-W017507 [0,1,0,0,0,0|3,0,0]=4 101 B9R0.24 CCC(=O)CCC(=O)CC CS-0152646 [0,1,0,0,0,0|2,0,1]=4 102 B9R0.24 COC(=O)CCC(=O)CBr CS-0042170 [0,1,0,0,0,0|2,0,1]=4 103 B9R0.24 COC(=O)CCC(=O)CN CS-W009212 [0,1,0,0,0,0|2,0,1]=4 104 B9R0.24 COC(=O)CCC(=O)OC CS-0015787 [0,1,0,0,0,0|0,1,1]=3 105 B9R0.34 CCCC(=O)CC(=O)OC CS-W005176 [0,1,0,0,0,0|1,0,1]=3 106 B9R0.34 COCC(=O)CC(=O)OC CS-W007767 [0,1,0,0,0,0|0,1,1]=3 107 B9R0.46 CCCCCCC(=O)CC CS-0330265 [0,1,0,0,0,0|2,0,0]=3 108 B9R0.46 CCCCCCC(=O)NN CS-0215224 [0,1,0,0,0,0|3,0,0]=4 109 B9R0.46 CCCCCCC(=O)OC CS-0182587 [0,1,0,0,0,0|1,0,0]=2 110 B9R0.46 CCCCCCC(=O)O[Na] CS-0182616 [0,1,0,0,0,0|2,0,0]=3 111 B9R0.46 COC(=O)CCCCCBr CS-W015176 [0,1,0,0,0,0|1,0,0]=2 112 B9R0.46 COC(=O)CCCCCN CS-W008066 [0,1,0,0,0,0|1,0,0]=2 113 B9R0.46 COC(=O)CCCCCO CS-0187523 [0,1,0,0,0,0|1,0,0]=2 114 B9R0.47 C=C(C)C(=O)OCCOC CS-W016392 [0,1,0,0,0,0|2,1,0]=4 115 B9R0.47 CCCCOC(=O)[C@H](C)N CS-0523493 [0,1,0,0,0,0|3,0,0]=4 116 B9R0.47 CCCCOC(=O)[C@H](C)O CS-0451298 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.1 C#CC1CCC(=O)CC1 CS-0132033 [0,0,0,1,0,0|2,0,1]=4 118 B9R1.1 CCC1CCC(=O)CC1 CS-0226152 [0,0,0,1,0,0|2,0,0]=3 119 B9R1.1 CCN1CCC(=O)CC1 CS-0046794 [0,0,0,1,0,0|3,0,0]=4 120 B9R1.1 COC1CCC(=O)CC1 CS-W004809 [0,0,0,1,0,0|1,1,0]=3 121 B9R1.1 N#CC1CCC(=O)CC1 CS-D0281 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.1 O=C1CCC(CO)CC1 CS-W005330 [0,0,0,1,0,0|3,0,0]=4 123 B9R1.2 COC1=CC(=O)CCC1 CS-0100011 [0,0,0,1,0,0|3,0,0]=4 124 B9R1.3 CC1C(=O)CCCC1=O CS-W019564 [0,0,0,1,0,0|3,0,0]=4 125 B9R1.3 CN1C(=O)CCCC1=O CS-0151200 [0,0,0,1,0,0|3,0,0]=4 126 B9R1.7 CCCC1CNC(=O)C1 CS-0061478 [0,0,0,1,0,0|2,0,0]=3 127 B9R1.7 CCCC1COC(=O)O1 CS-0134586 [0,0,0,1,0,0|2,0,0]=3 128 B9R1.7 CCC[C@@H]1COC(=O)C1 CS-0188536 [0,0,0,1,0,0|1,0,0]=2 129 B9R1.11 CNC(=O)C1CCNC1 CS-0188103 [0,0,0,1,0,0|2,0,0]=3 130 B9R1.11 CNC(=O)[C@@H]1CCCN1 CS-WAA0154 [0,0,0,1,0,0|3,0,0]=4 131 B9R1.11 COC(=O)C1=CCCC1 CS-D0999 [0,0,0,1,0,0|1,0,2]=4 132 B9R1.11 COC(=O)C1CC=CC1 CS-W003142 [0,0,0,1,0,0|1,0,1]=3 133 B9R1.11 COC(=O)C1CCCC1 CS-W005310 [0,0,0,1,0,0|1,0,0]=2 134 B9R1.11 COC(=O)C1CCCN1 CS-W004744 [0,0,0,1,0,0|2,0,0]=3 135 B9R1.11 COC(=O)C1CCCO1 CS-0096501 [0,0,0,1,0,0|2,0,0]=3 136 B9R1.11 COC(=O)C1CCNC1 CS-W001842 [0,0,0,1,0,0|1,0,0]=2 137 B9R1.11 COC(=O)C1CCOC1 CS-W004271 [0,0,0,1,0,0|0,1,0]=2 138 B9R1.11 COC(=O)[C@@H]1CCCN1 CS-M0706 [0,0,0,1,0,0|2,0,0]=3 139 B9R1.11 COC(=O)[C@@H]1CCNC1 CS-B0685 [0,0,0,1,0,0|1,0,0]=2 140 B9R1.11 O=C(O[Na])[C@@H]1CCCN1 CS-0091626 [0,0,0,1,0,0|3,0,0]=4 141 B9R1.11 O=S(O[Na])C1CCOC1 CS-0530358 [0,0,0,1,0,0|2,1,0]=4 142 B9R1.11 [C@H]1(C(=O)OC)CCCN1 CS-W010818 [0,0,0,1,0,0|2,0,0]=3 143 B9R1.11 [C@H]1(C(=O)OC)CCNC1 CS-W005089 [0,0,0,1,0,0|1,0,0]=2 144 B9R1.49 CN1CCCC(=O)CC1 CS-W003427 [0,0,0,1,0,0|2,0,0]=3 145 B9R1.49 O=C1CCCC(O)CN1 CS-0187220 [0,0,0,1,0,0|3,0,0]=4 146 B9R1.50 O=C1CCCCCCC1 CS-W007564 [0,0,0,1,0,0|2,0,0]=3 147 B9R1.50 O=C1CCCCCCN1 CS-W022575 [0,0,0,1,0,0|2,0,0]=3 148 B9R1.79 COC(=O)C=C1COC1 CS-0049198 [0,0,0,1,0,0|0,1,2]=4 149 B9R1.79 COC(=O)CC1COC1 CS-0049199 [0,0,0,1,0,0|0,1,0]=2 150 B9R1.80 COC(=O)\C=C\C1CC1 CS-0380678 [0,0,0,1,0,0|1,0,2]=4 151 B9R1.88 COC(=O)C1CC1C#N CS-0514359 [0,0,0,1,0,0|2,0,0]=3 152 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO CS-0078750 [0,0,0,1,0,0|2,0,0]=3 153 B9R1.132 CN1C(=O)CCC1CO CS-W001672 [0,0,0,1,0,0|3,0,0]=4 154 B6R0.6 CNCCCCO CS-W006493 [2,0,0,0,0,0|1,0,1]=4 155 B6R0.6 COCCCCBr CS-W021313 [2,0,0,0,0,0|1,0,1]=4 156 B6R0.6 COCCCCCl CS-0039726 [2,0,0,0,0,0|1,0,1]=4 157 B6R0.6 COCCCCO CS-0150179 [2,0,0,0,0,0|0,1,1]=4 158 B6R0.6 CSCCCCO CS-0204406 [2,0,0,0,0,0|0,0,1]=3 159 B6R0.1 C=CCC(=O)OC CS-0158011 [2,0,0,0,0,0|0,0,2]=4 160 B6R0.1 CC#CC(=O)OC CS-0066219 [2,0,0,0,0,0|0,0,2]=4 161 B6R0.1 CCC(=O)COC CS-0213932 [2,0,0,0,0,0|1,1,0]=4 162 B6R0.1 CCCC(=O)NN CS-0152447 [2,0,0,0,0,0|2,0,0]=4 163 B6R0.1 CNC(=O)CCCl CS-0143787 [2,0,0,0,0,0|2,0,0]=4 164 B6R0.1 CNC(=O)CCO CS-0188403 [2,0,0,0,0,0|1,1,0]=4 165 B6R0.1 CNCC(=O)O[Na] CS-0077129 [2,0,0,0,0,0|2,0,0]=4 166 B6R0.1 COC(=O)CC#N CS-W016657 [2,0,0,0,0,0|1,0,1]=4 167 B6R0.1 COC(=O)CCBr CS-W008728 [2,0,0,0,0,0|1,0,0]=3 168 B6R0.1 COC(=O)CCCl CS-0131786 [2,0,0,0,0,0|1,0,0]=3 169 B6R0.1 COC(=O)CCI CS-0615889 [2,0,0,0,0,0|1,0,0]=3 170 B6R0.1 COC(=O)CCN CS-W007648 [2,0,0,0,0,0|1,0,0]=3 171 B6R0.1 COC(=O)CCO CS-0022864 [2,0,0,0,0,0|0,1,0]=3 172 B6R0.1 COC(=O)CCS CS-0000049 [2,0,0,0,0,0|0,0,0]=2 173 B6R0.1 COC(=O)OCCl CS-0067504 [2,0,0,0,0,0|2,0,0]=4 174 B6R0.1 NNC(=O)CCS CS-0513962 [2,0,0,0,0,0|2,0,0]=4 175 B6R0.4 C#CCCC(=O)O CS-W008784 [2,0,0,0,0,0|0,0,2]=4 176 B6R0.4 C=CCCC(=O)O CS-W009138 [2,0,0,0,0,0|0,0,2]=4 177 B6R0.4 CC(=O)CCCCl CS-W013569 [2,0,0,0,0,0|1,0,0]=3 178 B6R0.4 CC(=O)CCCO CS-0020001 [2,0,0,0,0,0|0,1,0]=3 179 B6R0.4 CC(=O)NCCO CS-W013689 [2,0,0,0,0,0|1,1,0]=4 180 B6R0.4 CC(=O)OCCBr CS-W007598 [2,0,0,0,0,0|2,0,0]=4 181 B6R0.4 CC(=O)OCCN CS-0657679 [2,0,0,0,0,0|2,0,0]=4 182 B6R0.4 CC(=O)OCCO CS-0154995 [2,0,0,0,0,0|1,1,0]=4 183 B6R0.4 CCC#CC(=O)O CS-W013726 [2,0,0,0,0,0|0,0,2]=4 184 B6R0.4 CCCCB(O)O CS-W000932 [2,0,0,0,0,0|1,0,1]=4 185 B6R0.4 CCCCC(=N)N CS-0122242 [2,0,0,0,0,0|2,0,0]=4 186 B6R0.4 CCCCC(N)=S CS-0248646 [2,0,0,0,0,0|1,1,0]=4 187 B6R0.4 CCCCS(=O)[O-] CS-0851776 [2,0,0,0,0,0|1,0,1]=4 188 B6R0.4 CCCC[C@@H](C)O CS-0179419 [2,0,0,0,0,0|0,0,2]=4 189 B6R0.4 CCCC[C@H](C)O CS-0179420 [2,0,0,0,0,0|0,0,2]=4 190 B6R0.4 CCCNC(C)=O CS-0246738 [2,0,0,0,0,0|1,0,0]=3 191 B6R0.4 CCCOC(N)=O CS-W019060 [2,0,0,0,0,0|2,0,0]=4 192 B6R0.4 CCNCC(=O)O CS-0201673 [2,0,0,0,0,0|1,0,0]=3 193 B6R0.4 CCOCC(=O)O CS-0071579 [2,0,0,0,0,0|1,0,0]=3 194 B6R0.4 CCSCC(=O)O CS-0197336 [2,0,0,0,0,0|1,0,0]=3 195 B6R0.4 CC\C=C\C(=O)O CS-0053528 [2,0,0,0,0,0|0,0,2]=4 196 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|1,0,0]=3 197 B6R0.4 CNCCC(=O)O CS-0169148 [2,0,0,0,0,0|1,0,0]=3 198 B6R0.4 CNCCC(N)=O CS-0214971 [2,0,0,0,0,0|2,0,0]=4 199 B6R0.4 COCCC(=O)O CS-W009112 [2,0,0,0,0,0|0,1,0]=3 200 B6R0.4 CS(=O)CCCN CS-0286765 [2,0,0,0,0,0|2,0,0]=4 201 B6R0.4 CSCCC(=O)O CS-6296 [2,0,0,0,0,0|0,0,0]=2 202 B6R0.4 CSCCC(C)=O CS-0206726 [2,0,0,0,0,0|0,0,0]=2 203 B6R0.4 C\C=C\CC(=O)O CS-0129103 [2,0,0,0,0,0|0,0,2]=4 204 B6R0.4 N#CCCC(=O)O CS-W018565 [2,0,0,0,0,0|1,0,1]=4 205 B6R0.4 NCCCC(=O)O CS-W020704 [2,0,0,0,0,0|1,0,0]=3 206 B6R0.4 NCCCC(N)=O CS-0103894 [2,0,0,0,0,0|2,0,0]=4 207 B6R0.4 O=C(O)CCCBr CS-W016047 [2,0,0,0,0,0|1,0,0]=3 208 B6R0.4 O=C(O)CCCCl CS-W013545 [2,0,0,0,0,0|1,0,0]=3 209 B8R0.4 CCCCC\C=C\CO CS-0152366 [1,1,0,0,0,0|2,0,0]=4 210 B8R0.4 COCCNCCOC CS-D1692 [1,1,0,0,0,0|0,1,1]=4 211 B8R0.4 COCCOCCOC CS-0017205 [1,1,0,0,0,0|0,1,1]=4 212 B8R0.4 COCCOCCOC CS-0099019 [1,1,0,0,0,0|0,1,1]=4 213 B8R0.3 C#CC[C@H](N)C(=O)OC CS-0180948 [1,1,0,0,0,0|0,0,2]=4 214 B8R0.3 CCCC(N)C(=O)OC CS-0152454 [1,1,0,0,0,0|0,0,0]=2 215 B8R0.3 CCC[C@H](N)C(=O)OC CS-0152592 [1,1,0,0,0,0|0,0,0]=2 216 B8R0.3 COC(=O)C(C)CCCl CS-0205287 [1,1,0,0,0,0|1,0,0]=3 217 B8R0.3 COC(=O)[C@@H](N)CSC CS-0654810 [1,1,0,0,0,0|0,0,0]=2 218 B8R0.3 COC[C@@H](N)C(=O)OC CS-0162497 [1,1,0,0,0,0|0,1,0]=3 219 B8R0.8 CCCCC(=O)C(=O)O CS-0069654 [1,1,0,0,0,0|2,0,0]=4 220 B8R0.9 COC(=O)CCC(=O)O CS-W011096 [1,1,0,0,0,0|0,1,1]=4 221 B8R0.9 COC(=O)CCC(C)=O CS-0023754 [1,1,0,0,0,0|0,0,1]=3 222 B8R0.9 COC(=O)CCC(N)=O CS-0453315 [1,1,0,0,0,0|0,1,1]=4 223 B8R0.9 COC(=O)CCS(=O)[O-] CS-W008508 [1,1,0,0,0,0|1,0,1]=4 224 B8R0.9 COC(=O)CC[C@H](C)N CS-0572078 [1,1,0,0,0,0|0,0,0]=2 225 B8R0.9 COC(=O)CNC(C)=O CS-W013428 [1,1,0,0,0,0|1,0,1]=4 226 B8R0.9 COC(=O)CNC(C)C CS-0200417 [1,1,0,0,0,0|1,0,0]=3 227 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [1,1,0,0,0,0|1,0,1]=4 228 B8R0.19 CCC(=O)CC(=O)OC CS-W011110 [1,1,0,0,0,0|0,0,1]=3 229 B8R0.19 CC[C@@H](O)CC(=O)OC CS-0852565 [1,1,0,0,0,0|0,0,0]=2 230 B8R0.19 CNC(C)CC(=O)OC CS-0124917 [1,1,0,0,0,0|1,0,0]=3 231 B8R0.19 COC(=O)CC(=O)CCl CS-0044248 [1,1,0,0,0,0|1,0,1]=4 232 B8R0.19 COC(=O)CC(=O)OC CS-0019394 [1,1,0,0,0,0|0,1,1]=4 233 B8R0.19 COC(=O)N[C@@H](C)CN CS-0010956 [1,1,0,0,0,0|2,0,0]=4 234 B8R0.25 CCCCS(=O)(=O)O[Na] CS-W017940 [1,1,0,0,0,0|2,0,0]=4 235 B8R0.5 CCC[C@H](N)CC(=O)O CS-0152590 [1,1,0,0,0,0|1,0,0]=3 236 B8R0.5 CCC[C@H](N)CC(=O)O CS-0678068 [1,1,0,0,0,0|1,0,0]=3 237 B8R0.5 COCC(C)OC(C)=O CS-0198137 [1,1,0,0,0,0|1,1,0]=4 238 B8R0.28 CC(=O)CCC=C(C)C CS-W011151 [1,1,0,0,0,0|1,0,1]=4 239 B8R0.28 CC(=O)CCCC(=O)O CS-W001957 [1,1,0,0,0,0|1,0,0]=3 240 B8R0.28 CC(=O)CCCC(C)C CS-0154232 [1,1,0,0,0,0|1,0,0]=3 241 B8R0.28 CC(=O)NCCC(=O)O CS-0005652 [1,1,0,0,0,0|2,0,0]=4 242 B8R0.28 CC(=O)SCCC(=O)O CS-W018187 [1,1,0,0,0,0|2,0,0]=4 243 B8R0.28 CC(C)OCCC(=O)O CS-0247110 [1,1,0,0,0,0|2,0,0]=4 244 B8R0.28 CC(O)CCCC(=O)[O-] CS-0263549 [1,1,0,0,0,0|1,0,1]=4 245 B8R0.28 CN(C)CCCC(=O)O CS-0117583 [1,1,0,0,0,0|1,0,0]=3 246 B8R0.28 CN(C)CCCC(=O)O CS-W007989 [1,1,0,0,0,0|1,0,0]=3 247 B8R0.28 O=C(O)CCCC(=O)O CS-W009536 [1,1,0,0,0,0|2,0,0]=4 248 B8R0.28 O=C(O)CCC[N+](=O)[O-] CS-0198123 [1,1,0,0,0,0|2,0,0]=4 249 B10R0.3 CCOC(=O)CCCC(=O)O CS-0151584 [0,2,0,0,0,0|2,0,0]=4 250 B10R0.3 CCOC(=O)CCCC(C)=O CS-W010896 [0,2,0,0,0,0|1,0,0]=3 251 B10R0.3 CCOC(=O)CCC[N+](=O)[O-] CS-0158610 [0,2,0,0,0,0|2,0,0]=4 252 B10R0.44 COC(=O)CC(=O)CC(C)=O CS-0137250 [0,2,0,0,0,0|1,0,1]=4 253 B10R0.44 COC(=O)CC(=O)CC(C)C CS-W000361 [0,2,0,0,0,0|1,0,1]=4 254 B10R0.44 COC(=O)C[C@@H](N)CC(C)C CS-0498519 [0,2,0,0,0,0|1,0,0]=3 255 B10R0.57 COC(=O)[C@@H](N)CCC(=O)O CS-W016141 [0,2,0,0,0,0|2,0,0]=4 256 B10R0.57 COC(=O)[C@@H](N)CCC(N)=O CS-0139688 [0,2,0,0,0,0|2,0,0]=4 257 B10R0.57 COC(=O)[C@H](N)CCC(=O)O CS-0150946 [0,2,0,0,0,0|2,0,0]=4 258 B10R0.59 COC(=O)CCCC(=O)OC CS-0130885 [0,2,0,0,0,0|0,1,0]=3 259 B10R0.59 COC(=O)CNCC(=O)OC CS-0128929 [0,2,0,0,0,0|0,1,1]=4 260 B10R0.59 COC(=O)CSCC(=O)OC CS-0150674 [0,2,0,0,0,0|0,1,1]=4 261 B10R0.82 COC(=O)CCC(N)C(=O)O CS-0150702 [0,2,0,0,0,0|2,0,0]=4 262 B10R0.82 COC(=O)CCC(N)C(N)=O CS-0036442 [0,2,0,0,0,0|2,0,0]=4 263 B10R0.82 COC(=O)CC[C@@H](N)C(=O)O CS-W022740 [0,2,0,0,0,0|2,0,0]=4 264 B10R0.82 COC(=O)CC[C@H](N)C(=O)O CS-W014394 [0,2,0,0,0,0|2,0,0]=4 265 B10R0.82 COC(=O)CC[C@H](N)C(N)=O CS-0132203 [0,2,0,0,0,0|2,0,0]=4 266 B10R0.1 C=CCCCCC(=O)OCC CS-0159602 [0,2,0,0,0,0|1,0,1]=4 267 B10R0.1 C=CCNCCC(=O)OCC CS-0124769 [0,2,0,0,0,0|1,0,1]=4 268 B10R0.1 CCCCCCC(=O)OCC CS-W010893 [0,2,0,0,0,0|1,0,0]=3 269 B10R0.1 CCOC(=O)CCCCCBr CS-W022710 [0,2,0,0,0,0|1,0,0]=3 270 B10R0.1 CCOC(=O)CCCCCO CS-W023138 [0,2,0,0,0,0|1,0,0]=3 271 B10R0.1 CCOC(=O)COCCCCl CS-0163231 [0,2,0,0,0,0|2,0,0]=4 272 B10R0.1 CCOCCCC(=O)OCC CS-0904341 [0,2,0,0,0,0|0,1,0]=3 273 B10R0.2 CCCC(=O)CC(=O)OCC CS-W016203 [0,2,0,0,0,0|1,0,1]=4 274 B10R0.2 CCCC(O)CC(=O)OCC CS-W013272 [0,2,0,0,0,0|1,0,0]=3 275 B10R0.2 CCC[C@H](O)CC(=O)OCC CS-0834508 [0,2,0,0,0,0|1,0,0]=3 276 B10R0.2 CCOC(=O)CC(=O)COC CS-W022693 [0,2,0,0,0,0|0,1,1]=4 277 B10R0.2 CCOC(=O)C[C@H](O)CC#N CS-W002591 [0,2,0,0,0,0|2,0,0]=4 278 B10R0.19 CCCCC(=O)C(=O)OCC CS-0049501 [0,2,0,0,0,0|1,0,1]=4 279 B10R0.19 CCOC(=O)C(N)CCSC CS-0169308 [0,2,0,0,0,0|0,0,0]=2 280 B10R0.19 CCOC(=O)[C@@H](N)CCCN CS-0101217 [0,2,0,0,0,0|2,0,0]=4 281 B10R0.19 CCOC(=O)[C@@H](N)CCSC CS-0044991 [0,2,0,0,0,0|0,0,0]=2 282 B10R0.83 CCCCC[C@H](N)C(=O)NC CS-0310534 [0,2,0,0,0,0|2,0,0]=4 283 B10R0.83 COC(=O)C(N)CCCCN CS-0201761 [0,2,0,0,0,0|1,0,0]=3 284 B10R0.83 COC(=O)[C@H](N)CCCCN CS-W016710 [0,2,0,0,0,0|1,0,0]=3 285 B10R0.83 [C@H](N)(CCCCN)C(=O)OC CS-W010347 [0,2,0,0,0,0|1,0,0]=3 286 B10R0.91 C#CCOC(=O)NCCCC CS-0152104 [0,2,0,0,0,0|2,0,0]=4 287 B10R0.91 C=CCOC(=O)CCCCC CS-W014336 [0,2,0,0,0,0|1,0,0]=3 288 B10R0.46 COC(=O)CC(C)C(=O)OC CS-0204877 [0,2,0,0,0,0|0,1,1]=4 289 B10R0.46 COC(=O)CC(N)C(=O)OC CS-0059285 [0,2,0,0,0,0|0,1,1]=4 290 B10R0.46 COC(=O)C[C@@H](N)C(=O)OC CS-W022739 [0,2,0,0,0,0|0,1,1]=4 291 B10R0.46 [C@H](O)(CC(=O)OC)C(=O)OC CS-W007994 [0,2,0,0,0,0|0,1,1]=4 292 B10R0.85 CCCCC(CC)C(=O)O[Ag] CS-0111247 [0,2,0,0,0,0|2,0,0]=4 293 B10R0.124 COC(=O)C(C)(C)CCCBr CS-0437398 [0,2,0,0,0,0|2,0,0]=4 294 B10R0.124 COC(=O)C(C)(C)CCCCl CS-0130127 [0,2,0,0,0,0|2,0,0]=4 295 B10R0.45 COC(=O)CCC(OC)OC CS-WAA0013 [0,2,0,0,0,0|0,1,0]=3 296 B10R0.18 C#CCCC(=O)CC(=O)OC CS-0038476 [0,2,0,0,0,0|1,0,1]=4 297 B10R0.18 CCCCC(=O)CC(=O)OC CS-0152392 [0,2,0,0,0,0|1,0,0]=3 298 B10R0.18 CCOCC(=O)CC(=O)OC CS-0043415 [0,2,0,0,0,0|0,1,1]=4 299 B10R0.18 COCCC(=O)CC(=O)OC CS-0187518 [0,2,0,0,0,0|0,1,0]=3 300 B10R0.55 COC(=O)CCCCC(=O)O CS-W017938 [0,2,0,0,0,0|1,0,1]=4 301 B10R0.55 COC(=O)CCCCC(C)=O CS-W022881 [0,2,0,0,0,0|1,0,0]=3 302 B10R0.74 CCCCCC#CC(=O)OC CS-W014292 [0,2,0,0,0,0|1,0,0]=3 303 B10R0.74 CCCCCCCC(=O)OC CS-0128781 [0,2,0,0,0,0|1,0,0]=3 304 B10R0.74 CCCCCCCC(=O)O[Na] CS-W016055 [0,2,0,0,0,0|2,0,0]=4 305 B10R0.74 CCCCC\C=C\C(=O)OC CS-0097187 [0,2,0,0,0,0|1,0,0]=3 306 B10R0.74 COC(=O)CCCCCCBr CS-W004688 [0,2,0,0,0,0|1,0,0]=3 307 B10R0.74 COC(=O)CCCCCCN CS-W004807 [0,2,0,0,0,0|1,0,0]=3 308 B10R0.74 COC(=O)CCCCCCO CS-0059718 [0,2,0,0,0,0|1,0,0]=3 309 B8R1.2 COC1=NCCCC1 CS-0150206 [1,0,0,1,0,0|2,0,0]=4 310 B8R1.2 COC1CCCNC1 CS-0051284 [1,0,0,1,0,0|1,0,1]=4 311 B8R1.2 COC1CCCNC1 CS-0150202 [1,0,0,1,0,0|1,0,1]=4 312 B8R1.2 CO[C@@H]1CCCNC1 CS-0053772 [1,0,0,1,0,0|1,0,1]=4 313 B8R1.2 CO[C@H]1CCCNC1 CS-0053262 [1,0,0,1,0,0|1,0,1]=4 314 B8R1.2 CSC1CCNCC1 CS-0051141 [1,0,0,1,0,0|2,0,0]=4 315 B8R1.8 CNCC1CCOC1 CS-0048865 [1,0,0,1,0,0|1,0,1]=4 316 B8R1.8 COCC1CCNC1 CS-0058668 [1,0,0,1,0,0|1,0,1]=4 317 B8R1.36 CCCCCC1CO1 CS-0205209 [1,0,0,1,0,0|1,0,1]=4 318 B8R1.49 C1=CCCCCCC1 CS-0035172 [1,0,0,1,0,0|2,0,0]=4 319 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [1,0,0,1,0,0|0,0,2]=4 320 B8R1.1 C=C[C@H]1COC(=O)C1 CS-0001483 [1,0,0,1,0,0|0,0,2]=4 321 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|2,0,0]=4 322 B8R1.1 CCC1COC(=O)N1 CS-0447690 [1,0,0,1,0,0|1,0,0]=3 323 B8R1.1 CCC1COC(=O)O1 CS-0187002 [1,0,0,1,0,0|1,0,0]=3 324 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|1,0,0]=3 325 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 326 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|1,1,0]=4 327 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|0,1,0]=3 328 B8R1.1 O=C1CCC(CO)C1 CS-0315717 [1,0,0,1,0,0|1,1,0]=4 329 B8R1.1 O=C1NC(CO)CO1 CS-0309754 [1,0,0,1,0,0|1,1,0]=4 330 B8R1.1 O=C1N[C@@H](CF)CO1 CS-0256092 [1,0,0,1,0,0|2,0,0]=4 331 B8R1.1 O=C1N[C@@H](CI)CO1 CS-0149725 [1,0,0,1,0,0|2,0,0]=4 332 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [1,0,0,1,0,0|1,1,0]=4 333 B8R1.1 O=C1N[C@H](CO)CO1 CS-0216909 [1,0,0,1,0,0|1,1,0]=4 334 B8R1.1 O=C1OCC(CO)O1 CS-0158426 [1,0,0,1,0,0|1,1,0]=4 335 B8R1.3 CC1CCC(=O)CC1 CS-W013656 [1,0,0,1,0,0|1,0,0]=3 336 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [1,0,0,1,0,0|1,0,0]=3 337 B8R1.3 CC1CNC(=O)CO1 CS-0444103 [1,0,0,1,0,0|2,0,0]=4 338 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [1,0,0,1,0,0|2,0,0]=4 339 B8R1.3 C[C@@H]1CNC(=O)CO1 CS-0478990 [1,0,0,1,0,0|2,0,0]=4 340 B8R1.3 C[C@H]1CNC(=O)CO1 CS-0478989 [1,0,0,1,0,0|2,0,0]=4 341 B8R1.3 NC1CCC(=O)CC1 CS-W005034 [1,0,0,1,0,0|2,0,0]=4 342 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [1,0,0,1,0,0|2,0,0]=4 343 B8R1.3 N[C@H]1CCC(=O)NC1 CS-0185259 [1,0,0,1,0,0|2,0,0]=4 344 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [1,0,0,1,0,0|1,1,0]=4 345 B8R1.3 O=C1CCC(O)CN1 CS-D0057 [1,0,0,1,0,0|1,1,0]=4 346 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [1,0,0,1,0,0|1,1,0]=4 347 B8R1.38 CNC(=O)C1CNC1 CS-0184861 [1,0,0,1,0,0|2,0,0]=4 348 B8R1.38 COC(=O)C1CCC1 CS-W013640 [1,0,0,1,0,0|0,0,0]=2 349 B8R1.38 COC(=O)C1CNC1 CS-D1541 [1,0,0,1,0,0|1,0,0]=3 350 B8R1.38 COC(=O)C1COC1 CS-0045513 [1,0,0,1,0,0|0,1,0]=3 351 B8R1.50 CC1CCC(=O)C1=O CS-W011271 [1,0,0,1,0,0|2,0,0]=4 352 B8R1.4 CC1=CC(=O)CCC1 CS-0128362 [1,0,0,1,0,0|1,0,1]=4 353 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|2,0,0]=4 354 B8R1.4 CC1CC(=O)CCO1 CS-W004274 [1,0,0,1,0,0|2,0,0]=4 355 B8R1.4 CC1CCCC(=O)N1 CS-0009358 [1,0,0,1,0,0|2,0,0]=4 356 B8R1.4 CC1CCCC(=O)O1 CS-0015920 [1,0,0,1,0,0|1,0,0]=3 357 B8R1.4 CN1CCNC(=O)C1 CS-W003814 [1,0,0,1,0,0|2,0,0]=4 358 B8R1.4 CN1CCOC(=O)C1 CS-W001837 [1,0,0,1,0,0|2,0,0]=4 359 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|2,0,0]=4 360 B8R1.4 C[C@@H]1CCCC(=O)N1 CS-0312406 [1,0,0,1,0,0|2,0,0]=4 361 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|2,0,0]=4 362 B8R1.4 O=C1CCCC(=O)C1 CS-W007466 [1,0,0,1,0,0|2,0,0]=4 363 B8R1.6 COCC1CC(=O)C1 CS-0416147 [1,0,0,1,0,0|0,1,0]=3 364 B8R1.7 CC(=O)C1CCCC1 CS-W020214 [1,0,0,1,0,0|1,0,0]=3 365 B8R1.7 CC(=O)N1CCCC1 CS-0055117 [1,0,0,1,0,0|2,0,0]=4 366 B8R1.7 NC(=O)C1CCCC1 CS-0205277 [1,0,0,1,0,0|2,0,0]=4 367 B8R1.7 NC(=O)[C@H]1CCNC1 CS-0053244 [1,0,0,1,0,0|2,0,0]=4 368 B8R1.7 O=C(O)C1CC=CC1 CS-W002373 [1,0,0,1,0,0|1,0,1]=4 369 B8R1.7 O=C(O)C1CCCC1 CS-W007448 [1,0,0,1,0,0|1,0,0]=3 370 B8R1.7 O=C(O)C1CCCN1 CS-W013624 [1,0,0,1,0,0|2,0,0]=4 371 B8R1.7 O=C(O)C1CCCO1 CS-W018496 [1,0,0,1,0,0|2,0,0]=4 372 B8R1.7 O=C(O)C1CCCS1 CS-W000375 [1,0,0,1,0,0|2,0,0]=4 373 B8R1.7 O=C(O)C1CCNC1 CS-0040176 [1,0,0,1,0,0|1,0,0]=3 374 B8R1.7 O=C(O)C1CCNC1 CS-W019683 [1,0,0,1,0,0|1,0,0]=3 375 B8R1.7 O=C(O)C1CCOC1 CS-W004096 [1,0,0,1,0,0|0,1,0]=3 376 B8R1.7 O=C(O)C1CSCN1 CS-8024 [1,0,0,1,0,0|1,0,0]=3 377 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-W019861 [1,0,0,1,0,0|2,0,0]=4 378 B8R1.7 O=C(O)[C@@H]1CCCN1 CS-WAA0253 [1,0,0,1,0,0|2,0,0]=4 379 B8R1.7 O=C(O)[C@@H]1CCCO1 CS-W004117 [1,0,0,1,0,0|2,0,0]=4 380 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-0053309 [1,0,0,1,0,0|1,0,0]=3 381 B8R1.7 O=C(O)[C@@H]1CCNC1 CS-D1771 [1,0,0,1,0,0|1,0,0]=3 382 B8R1.7 O=C(O)[C@@H]1CSCN1 CS-W013392 [1,0,0,1,0,0|1,0,0]=3 383 B8R1.7 O=C(O)[C@H]1CCCN1 CS-W020557 [1,0,0,1,0,0|2,0,0]=4 384 B8R1.7 O=C(O)[C@H]1CCCO1 CS-W005223 [1,0,0,1,0,0|2,0,0]=4 385 B8R1.7 O=C(O)[C@H]1CCNC1 CS-0053243 [1,0,0,1,0,0|1,0,0]=3 386 B8R1.7 O=C(O)[C@H]1CCNC1 CS-D0752 [1,0,0,1,0,0|1,0,0]=3 387 B8R1.7 O=C(O)[C@H]1CCOC1 CS-0053249 [1,0,0,1,0,0|0,1,0]=3 388 B8R1.7 O=C(O)[C@H]1CSCN1 CS-0097362 [1,0,0,1,0,0|1,0,0]=3 389 B8R1.7 [C@@H]1(C(=O)O)CCOC1 CS-W006196 [1,0,0,1,0,0|0,1,0]=3 390 B8R1.34 CC(=O)NC1CNC1 CS-0048846 [1,0,0,1,0,0|2,0,0]=4 391 B8R1.34 O=C(O)CC1CCC1 CS-D0460 [1,0,0,1,0,0|1,0,0]=3 392 B8R1.34 O=C(O)CC1COC1 CS-0045509 [1,0,0,1,0,0|0,1,0]=3 393 B8R1.35 O=C(O)CCC1CC1 CS-D0289 [1,0,0,1,0,0|1,0,0]=3 394 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O CS-0047826 [1,0,0,1,0,0|2,0,0]=4 395 B10R1.13 CC(C)C1CCC(=O)CC1 CS-W011030 [0,1,0,1,0,0|2,0,0]=4 396 B10R1.13 CN(C)C1CCC(=O)CC1 CS-W003582 [0,1,0,1,0,0|2,0,0]=4 397 B10R1.14 C=C1CN[C@H](C(=O)OC)C1 CS-0130584 [0,1,0,1,0,0|2,0,0]=4 398 B10R1.14 COC(=O)C1CCC(=O)C1 CS-W019720 [0,1,0,1,0,0|1,0,0]=3 399 B10R1.14 COC(=O)C1CCC(=O)N1 CS-D0636 [0,1,0,1,0,0|2,0,0]=4 400 B10R1.14 COC(=O)C1CCC(=O)O1 CS-0435430 [0,1,0,1,0,0|2,0,0]=4 401 B10R1.14 COC(=O)C1CCC(N)C1 CS-W006920 [0,1,0,1,0,0|1,0,0]=3 402 B10R1.14 COC(=O)C1CCC(O)C1 CS-0150733 [0,1,0,1,0,0|1,0,0]=3 403 B10R1.14 COC(=O)C1CCN(C)C1 CS-0151107 [0,1,0,1,0,0|1,0,0]=3 404 B10R1.14 COC(=O)C1CNC(=O)C1 CS-W003494 [0,1,0,1,0,0|1,0,1]=4 405 B10R1.14 COC(=O)[C@@H]1C=C[C@H](N)C1 CS-M2482 [0,1,0,1,0,0|1,0,1]=4 406 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 CS-0049313 [0,1,0,1,0,0|1,0,0]=3 407 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 CS-D0637 [0,1,0,1,0,0|2,0,0]=4 408 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 CS-0336442 [0,1,0,1,0,0|2,0,0]=4 409 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0048878 [0,1,0,1,0,0|1,0,0]=3 410 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,1,0,0|1,0,0]=3 411 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,1,0,0|1,0,0]=3 412 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0159612 [0,1,0,1,0,0|1,0,0]=3 413 B10R1.14 COC(=O)[C@@H]1C[C@@H](F)CN1 CS-0112554 [0,1,0,1,0,0|2,0,0]=4 414 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 CS-M0623 [0,1,0,1,0,0|2,0,0]=4 415 B10R1.14 COC(=O)[C@@H]1C[C@H](F)CN1 CS-0049284 [0,1,0,1,0,0|2,0,0]=4 416 B10R1.14 COC(=O)[C@@H]1C[C@H](O)CN1 CS-W017145 [0,1,0,1,0,0|2,0,0]=4 417 B10R1.14 COC(=O)[C@H]1C=C[C@@H](N)C1 CS-0185449 [0,1,0,1,0,0|1,0,1]=4 418 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 CS-0097285 [0,1,0,1,0,0|2,0,0]=4 419 B10R1.14 COC(=O)[C@H]1CC[C@@H](N)C1 CS-0042523 [0,1,0,1,0,0|1,0,0]=3 420 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,1,0,0|1,0,0]=3 421 B10R1.14 COC(=O)[C@H]1C[C@@H](F)CN1 CS-0049291 [0,1,0,1,0,0|2,0,0]=4 422 B10R1.14 COC(=O)[C@H]1C[C@@H](O)CN1 CS-M0680 [0,1,0,1,0,0|2,0,0]=4 423 B10R1.14 COC(=O)[C@H]1C[C@H](F)CN1 CS-0112546 [0,1,0,1,0,0|2,0,0]=4 424 B10R1.14 COC(=O)[C@H]1C[C@H](O)CN1 CS-W006629 [0,1,0,1,0,0|2,0,0]=4 425 B10R1.54 CC(C)CC1CNC(=O)C1 CS-0154054 [0,1,0,1,0,0|2,0,0]=4 426 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,1,0,1,0,0|2,0,0]=4 427 B10R1.54 CC(C)C[C@H]1COC(=O)N1 CS-0316426 [0,1,0,1,0,0|2,0,0]=4 428 B10R1.150 COC(=O)CC1CC(=O)C1 CS-W006735 [0,1,0,1,0,0|1,0,0]=3 429 B10R1.150 COC(=O)CC1CC(O)C1 CS-0049208 [0,1,0,1,0,0|1,0,0]=3 430 B10R1.408 COC(=O)C1CC1C(=O)O CS-0047564 [0,1,0,1,0,0|2,0,0]=4 431 B10R1.408 COC(=O)[C@@H]1C[C@@H]1C(=O)O CS-0053578 [0,1,0,1,0,0|2,0,0]=4 432 B10R1.408 COC(=O)[C@@H]1C[C@H]1C(=O)O CS-B1755 [0,1,0,1,0,0|2,0,0]=4 433 B10R1.11 CCOC(=O)C1CCCC1 CS-0235375 [0,1,0,1,0,0|1,0,0]=3 434 B10R1.11 CCOC(=O)C1CCCO1 CS-0109401 [0,1,0,1,0,0|2,0,0]=4 435 B10R1.11 CCOC(=O)C1CCNC1 CS-W003865 [0,1,0,1,0,0|1,0,0]=3 436 B10R1.11 CCOC(=O)[C@@H]1CCCN1 CS-0120026 [0,1,0,1,0,0|2,0,0]=4 437 B10R1.11 CCOC(=O)[C@@H]1CCNC1 CS-0187945 [0,1,0,1,0,0|1,0,0]=3 438 B10R1.11 CCOC(=O)[C@@H]1CSCN1 CS-0043107 [0,1,0,1,0,0|1,0,0]=3 439 B10R1.11 CCOC(=O)[C@H]1CCCN1 CS-0120429 [0,1,0,1,0,0|2,0,0]=4 440 B10R1.19 CCN1CCCCCC1=O CS-0999264 [0,1,0,1,0,0|2,0,0]=4 441 B10R1.78 O=C1CCCCCCCN1 CS-0090258 [0,1,0,1,0,0|2,0,0]=4 442 B10R1.135 CCOC(=O)C1CC1C#N CS-0049506 [0,1,0,1,0,0|2,0,0]=4 443 B10R1.135 CCOC(=O)C1CC1C=O CS-0106625 [0,1,0,1,0,0|2,0,0]=4 444 B10R1.135 CCOC(=O)[C@@H]1C[C@@H]1C#N CS-0049662 [0,1,0,1,0,0|2,0,0]=4 445 B10R1.135 CCOC(=O)[C@@H]1C[C@H]1C#N CS-0054373 [0,1,0,1,0,0|2,0,0]=4 446 B10R1.137 CCOC(=O)C=C1CSC1 CS-0056274 [0,1,0,1,0,0|0,0,2]=4 447 B10R1.137 CCOC(=O)CC1COC1 CS-W000466 [0,1,0,1,0,0|0,1,0]=3 448 B10R1.138 CCOC(=O)CNC1CC1 CS-0249130 [0,1,0,1,0,0|2,0,0]=4 449 B10R1.15 CCC(=O)C1CCCCC1 CS-0069673 [0,1,0,1,0,0|2,0,0]=4 450 B10R1.15 CCC(=O)C1CCNCC1 CS-0152647 [0,1,0,1,0,0|2,0,0]=4 451 B10R1.15 CCC(=O)C1CCOCC1 CS-0069622 [0,1,0,1,0,0|1,1,0]=4 452 B10R1.15 CNC(=O)C1CCCNC1 CS-0094687 [0,1,0,1,0,0|2,0,0]=4 453 B10R1.15 CNC(=O)C1CCNCC1 CS-0141261 [0,1,0,1,0,0|2,0,0]=4 454 B10R1.15 COC(=O)C1=CCCCC1 CS-W009174 [0,1,0,1,0,0|1,0,1]=4 455 B10R1.15 COC(=O)C1=CCNCC1 CS-0150771 [0,1,0,1,0,0|1,0,1]=4 456 B10R1.15 COC(=O)C1CC=CCC1 CS-W014366 [0,1,0,1,0,0|1,0,0]=3 457 B10R1.15 COC(=O)C1CCCCN1 CS-0043132 [0,1,0,1,0,0|1,0,0]=3 458 B10R1.15 COC(=O)C1CCCCN1 CS-W003366 [0,1,0,1,0,0|1,0,0]=3 459 B10R1.15 COC(=O)C1CCCCO1 CS-W001905 [0,1,0,1,0,0|1,0,0]=3 460 B10R1.15 COC(=O)C1CCCNC1 CS-0042814 [0,1,0,1,0,0|1,0,0]=3 461 B10R1.15 COC(=O)C1CCCNC1 CS-W005063 [0,1,0,1,0,0|1,0,0]=3 462 B10R1.15 COC(=O)C1CCCOC1 CS-W001863 [0,1,0,1,0,0|0,1,0]=3 463 B10R1.15 COC(=O)C1CCNCC1 CS-W002947 [0,1,0,1,0,0|1,0,0]=3 464 B10R1.15 COC(=O)C1CCNCC1 CS-W016419 [0,1,0,1,0,0|1,0,0]=3 465 B10R1.15 COC(=O)C1CCOCC1 CS-D1156 [0,1,0,1,0,0|0,1,0]=3 466 B10R1.15 COC(=O)C1CNCCN1 CS-0094441 [0,1,0,1,0,0|1,0,0]=3 467 B10R1.15 COC(=O)C1CNCCO1 CS-0036148 [0,1,0,1,0,0|1,0,0]=3 468 B10R1.15 COC(=O)C1COCCN1 CS-D1697 [0,1,0,1,0,0|0,1,0]=3 469 B10R1.15 COC(=O)N1CCCCC1 CS-0200219 [0,1,0,1,0,0|1,0,0]=3 470 B10R1.15 COC(=O)N1CCNCC1 CS-0069574 [0,1,0,1,0,0|2,0,0]=4 471 B10R1.15 COC(=O)[C@@H]1CC=CCC1 CS-0051390 [0,1,0,1,0,0|1,0,0]=3 472 B10R1.15 COC(=O)[C@@H]1CCCCN1 CS-W001485 [0,1,0,1,0,0|1,0,0]=3 473 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-0040391 [0,1,0,1,0,0|1,0,0]=3 474 B10R1.15 COC(=O)[C@@H]1CCCNC1 CS-M0789 [0,1,0,1,0,0|1,0,0]=3 475 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159658 [0,1,0,1,0,0|2,0,0]=4 476 B10R1.15 COC(=O)[C@@H]1CCCNN1 CS-0159659 [0,1,0,1,0,0|2,0,0]=4 477 B10R1.15 COC(=O)[C@@H]1CNCCO1 CS-0042560 [0,1,0,1,0,0|1,0,0]=3 478 B10R1.15 COC(=O)[C@@H]1COCCN1 CS-W003693 [0,1,0,1,0,0|0,1,0]=3 479 B10R1.15 COC(=O)[C@H]1CCCCN1 CS-D1721 [0,1,0,1,0,0|1,0,0]=3 480 B10R1.15 COC(=O)[C@H]1CCCNC1 CS-M2670 [0,1,0,1,0,0|1,0,0]=3 481 B10R1.15 COC(=O)[C@H]1CNCCN1 CS-0049294 [0,1,0,1,0,0|1,0,0]=3 482 B10R1.15 COC(=O)[C@H]1CNCCO1 CS-0103649 [0,1,0,1,0,0|1,0,0]=3 483 B10R1.15 COC(=O)[C@H]1COCCN1 CS-0109445 [0,1,0,1,0,0|0,1,0]=3 484 B10R1.15 COC(=O)[C@H]1COCCN1 CS-W004178 [0,1,0,1,0,0|0,1,0]=3 485 B10R1.15 [C@@H]1(C(=O)OC)COCCN1 CS-0044006 [0,1,0,1,0,0|0,1,0]=3 486 B10R1.182 COC(=O)[C@@H](N)C1CCC1 CS-D0197 [0,1,0,1,0,0|1,0,0]=3 487 B10R1.184 COC(=O)[C@@H](N)CC1CC1 CS-0162013 [0,1,0,1,0,0|1,0,0]=3 488 B10R1.184 COC(=O)[C@H](O)CC1CC1 CS-0137761 [0,1,0,1,0,0|1,0,0]=3 489 B10R1.275 CN1CCCC[C@H](N)C1=O CS-0151092 [0,1,0,1,0,0|2,0,0]=4 490 B10R1.411 COC(=O)C1(F)CCNC1 CS-0035887 [0,1,0,1,0,0|1,0,0]=3 491 B10R1.411 COC(=O)C1(N)CCCC1 CS-B0437 [0,1,0,1,0,0|1,0,0]=3 492 B10R1.411 COC(=O)C1(N)CCOC1 CS-0029612 [0,1,0,1,0,0|0,1,0]=3 493 B10R1.411 COC(=O)[C@@]1(C)CCCN1 CS-0047071 [0,1,0,1,0,0|2,0,0]=4 494 B10R1.411 COC(=O)[C@]1(C)CCCN1 CS-0049287 [0,1,0,1,0,0|2,0,0]=4 495 B10R1.27 COC(=O)CC1CCOC1 CS-0104771 [0,1,0,1,0,0|0,1,0]=3 496 B10R1.27 COC(=O)C[C@@H]1CCCN1 CS-W021179 [0,1,0,1,0,0|1,0,0]=3 497 B10R1.27 COC(=O)C[C@@H]1CCNC1 CS-0187829 [0,1,0,1,0,0|1,0,0]=3 498 B10R1.27 COC(=O)C[C@H]1CCNC1 CS-0187993 [0,1,0,1,0,0|1,0,0]=3 499 B10R1.134 COC(=O)CC(=O)C1CC1 CS-W007911 [0,1,0,1,0,0|1,0,1]=4 500 B10R1.149 COC(=O)C1CCCC1=O CS-0007582 [0,1,0,1,0,0|1,0,1]=4 501 B10R1.149 COC(=O)C1CCOC1=O CS-0077660 [0,1,0,1,0,0|0,1,1]=4 502 B10R1.149 COC(=O)C1COCC1=O CS-D0559 [0,1,0,1,0,0|0,1,1]=4 503 B10R1.149 COC(=O)C1CSCC1=O CS-0106054 [0,1,0,1,0,0|0,0,1]=3 504 B10R1.149 COC(=O)C1SCCC1=O CS-W014330 [0,1,0,1,0,0|2,0,0]=4 505 B10R1.149 COC(=O)[C@@H]1CCCN1C CS-0450221 [0,1,0,1,0,0|1,0,0]=3 506 B10R1.149 COC(=O)[C@@H]1CCC[C@@H]1N CS-0375992 [0,1,0,1,0,0|1,0,0]=3 507 B10R1.149 COC(=O)[C@@H]1NCC[C@@H]1O CS-0049292 [0,1,0,1,0,0|2,0,0]=4 508 B10R1.149 COC(=O)[C@H]1CNC[C@@H]1C CS-0645794 [0,1,0,1,0,0|1,0,0]=3 509 B10R1.149 COC(=O)[C@H]1COC[C@H]1N CS-0341507 [0,1,0,1,0,0|0,1,0]=3 510 B10R1.1 CCCC1CCC(=O)CC1 CS-W002273 [0,1,0,1,0,0|2,0,0]=4 511 B10R1.1 O=C1CCC(CCO)CC1 CS-0054946 [0,1,0,1,0,0|2,0,0]=4 512 B10R1.16 CCCCC1CCC(=O)O1 CS-W018278 [0,1,0,1,0,0|2,0,0]=4 513 B10R1.175 O=C(O[Na])C1CCC1CO CS-0433319 [0,1,0,1,0,0|2,0,0]=4 514 B10R2.335 O=C1CCC2(CC1)CC2 CS-0038018 [0,0,0,2,0,0|2,0,0]=4 515 B10R2.2 O=C1CC2C=CCC2O1 CS-0473135 [0,0,0,2,0,0|1,0,1]=4 516 B10R2.2 [C@H]12CC=C[C@H]1CC(=O)O2 CS-0045251 [0,0,0,2,0,0|1,0,1]=4 517 B10R2.14 O=C1CC(C2CC2)CN1 CS-0006071 [0,0,0,2,0,0|2,0,0]=4 518 B10R2.332 O=C1CC2(CCC2)CN1 CS-0067407 [0,0,0,2,0,0|2,0,0]=4 519 B10R2.332 O=C1CC2(CN1)COC2 CS-W000315 [0,0,0,2,0,0|1,1,0]=4