0 B7R0.1 C=CCSSCCC CS-W013303 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.1 CCCCCCCF CS-0699236 [0,0,0,0,0,0|1,0,3]=4 2 B7R0.1 CCCNCCC#N CS-0247666 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.1 CCCNCCCO CS-0209795 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.1 C\C=C/CCCCC CS-0205053 [0,0,0,0,0,0|1,0,3]=4 5 B6R0.6 C=CCCCCCl CS-0267298 [1,0,0,0,0,0|2,0,1]=4 6 B6R0.6 C=CCCCCN CS-0769784 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.6 CC=C=CCCO CS-0260353 [1,0,0,0,0,0|0,0,3]=4 8 B6R0.6 CCCCCCN CS-0214121 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.6 CCCCCCN CS-0468683 [1,0,0,0,0,0|1,0,2]=4 10 B6R0.6 CCCCCNN CS-0297653 [1,0,0,0,0,0|2,0,1]=4 11 B6R0.6 CCCCSCC CS-0206090 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.6 CCCNCCC CS-0515976 [1,0,0,0,0,0|1,0,2]=4 13 B6R0.6 CCCNCCC CS-0621747 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.6 CCCSCCO CS-0358874 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.6 CCC\C=C/CO CS-0185821 [1,0,0,0,0,0|1,0,1]=3 16 B6R0.6 CCNCCC#N CS-W011332 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.6 CCNCCCO CS-0209413 [1,0,0,0,0,0|1,0,2]=4 18 B6R0.6 CCOCCC#N CS-W011329 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.6 CCOCCCBr CS-0217812 [1,0,0,0,0,0|2,0,1]=4 20 B6R0.6 CCOCCCCl CS-0209053 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.6 CCOCCCI CS-0252970 [1,0,0,0,0,0|2,0,1]=4 22 B6R0.6 CCOCCON CS-0308943 [1,0,0,0,0,0|3,0,0]=4 23 B6R0.6 CCSCCCO CS-0299691 [1,0,0,0,0,0|1,0,2]=4 24 B6R0.6 CC\C=C/CCBr CS-0700616 [1,0,0,0,0,0|1,0,0]=2 25 B6R0.6 C\C=C/CCCO CS-0185820 [1,0,0,0,0,0|0,0,2]=3 26 B6R0.6 C\C=C\C=C\C=O CS-0067535 [1,0,0,0,0,0|0,0,2]=3 27 B6R0.6 C\C=C\CCCO CS-0163135 [1,0,0,0,0,0|0,0,2]=3 28 B6R0.6 C\C=C\CCCO CS-0311846 [1,0,0,0,0,0|0,0,2]=3 29 B8R0.1 CCOC(=N)CCCBr CS-0124515 [0,1,0,0,0,0|2,0,1]=4 30 B8R0.1 CCOC(=O)CCOC CS-0217247 [0,1,0,0,0,0|3,0,0]=4 31 B8R0.1 C\C=C\C(=O)CCCC CS-0504757 [0,1,0,0,0,0|1,0,2]=4 32 B8R0.4 C=CCCCCCCI CS-0036274 [0,1,0,0,0,0|1,0,2]=4 33 B8R0.4 C=CCCCCCNC CS-0262516 [0,1,0,0,0,0|1,0,2]=4 34 B8R0.4 C=CCCNCCOC CS-1088301 [0,1,0,0,0,0|2,0,1]=4 35 B8R0.4 CCCCC\C=C\C=O CS-0062276 [0,1,0,0,0,0|0,0,3]=4 36 B8R0.4 CCCC\C=C/CCO CS-0185640 [0,1,0,0,0,0|1,0,1]=3 37 B8R0.4 CCC\C=C\C=C\C=O CS-0186044 [0,1,0,0,0,0|0,0,2]=3 38 B8R0.4 COCCOCCC=O CS-0997536 [0,1,0,0,0,0|1,0,1]=3 39 B8R0.6 C=C[C@@H](O)CCCCC CS-0566736 [0,1,0,0,0,0|1,0,2]=4 40 B8R0.6 CCCCNC(=O)CC CS-0465067 [0,1,0,0,0,0|2,0,1]=4 41 B8R0.7 CCCCCC[N+](=O)[O-] CS-0466073 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.7 CCCCSCC(=O)O CS-0246194 [0,1,0,0,0,0|1,0,2]=4 43 B8R0.7 CCCSCCC(=O)O CS-0259094 [0,1,0,0,0,0|1,0,1]=3 44 B8R0.7 CCC\C=C\CC(=O)O CS-0185675 [0,1,0,0,0,0|0,0,2]=3 45 B8R0.7 CCOCCCC(=O)O CS-0248539 [0,1,0,0,0,0|1,0,1]=3 46 B8R0.7 NC(=O)CCCCCO CS-0323112 [0,1,0,0,0,0|1,0,2]=4 47 B8R0.7 NCCNCCC(=O)O CS-0222785 [0,1,0,0,0,0|2,0,1]=4 48 B8R0.7 O=C(O)CCNCCO CS-0161280 [0,1,0,0,0,0|2,0,1]=4 49 B8R1.2 C=CC1CCCNC1 CS-0446733 [0,0,0,1,0,0|2,0,1]=4 50 B8R1.2 COC1=CCC=CC1 CS-0204293 [0,0,0,1,0,0|2,0,1]=4 51 B8R1.2 O=CC1CCCCN1 CS-0171600 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.2 O=CC1CCCCO1 CS-0183379 [0,0,0,1,0,0|1,0,2]=4 53 B8R1.2 O=CC1CCCOC1 CS-W008553 [0,0,0,1,0,0|1,0,1]=3 54 B8R1.5 CC1=CCCCC1=O CS-0206231 [0,0,0,1,0,0|0,0,2]=3 55 B8R1.5 CC1C=NC=NC1=O CS-0208906 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.5 CC1CCCOC1=O CS-0440412 [0,0,0,1,0,0|1,0,2]=4 57 B8R1.5 CC1CSCCC1=O CS-0152667 [0,0,0,1,0,0|1,0,1]=3 58 B8R1.5 CC1SCCNC1=O CS-0006425 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.5 CN1CCCCC1=O CS-0222604 [0,0,0,1,0,0|1,0,2]=4 60 B8R1.5 O=C1CCCC=C1Br CS-0205484 [0,0,0,1,0,0|1,0,2]=4 61 B8R1.5 O=C1CCCCC1F CS-0040502 [0,0,0,1,0,0|1,0,2]=4 62 B8R1.5 O=C1N=CC=CC1I CS-1032454 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.8 CCCC1C=CCN1 CS-0297312 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.8 CCOC1=NCCC1 CS-0207567 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.11 CC1=C(C=O)OC=C1 CS-0516508 [0,0,0,1,0,0|1,0,2]=4 66 B8R1.11 CCN1CCNC1=O CS-0090841 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.11 O=C1CCCN1CO CS-0216990 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.13 O=C1CCC1CCCl CS-0474223 [0,0,0,1,0,0|1,0,2]=4 69 B8R1.22 O=C1CCOCCO1 CS-0205374 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.49 C1=CCCC=CCC1 CS-0035176 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.49 C1=CCCC=CCC1 CS-0035192 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.49 C1=CCCC=CCC1 CS-0082633 [0,0,0,1,0,0|1,0,0]=2 73 B8R1.49 C1=CCCC=CCC1 CS-0082930 [0,0,0,1,0,0|1,0,0]=2 74 B8R1.49 C1=CCCC=CCC1 CS-0085868 [0,0,0,1,0,0|1,0,0]=2 75 B8R1.49 C1=CCCC=CCC1 CS-0087377 [0,0,0,1,0,0|1,0,0]=2 76 B8R1.49 C1=CCCC=CCC1 CS-0187327 [0,0,0,1,0,0|1,0,0]=2 77 B5R0.2 C=CCCCN CS-0072974 [2,0,0,0,0,0|1,0,1]=4 78 B5R0.2 C=CCCON CS-0215003 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.2 C=CCNC=O CS-0239380 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.2 C=CCNCC CS-0251036 [2,0,0,0,0,0|1,0,1]=4 81 B5R0.2 CCCCCF CS-0716626 [2,0,0,0,0,0|1,0,1]=4 82 B5R0.2 CCCCCN CS-0214092 [2,0,0,0,0,0|1,0,1]=4 83 B5R0.2 CCCCNN CS-0667621 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.2 CCCCO[Ti] CS-0111516 [2,0,0,0,0,0|2,0,0]=4 85 B5R0.2 CCNNCC CS-0343044 [2,0,0,0,0,0|2,0,0]=4 86 B5R0.2 CCSCCBr CS-0232073 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.2 CC\C=C/CO CS-0074371 [2,0,0,0,0,0|0,0,1]=3 88 B5R0.2 CC\C=C\CBr CS-0296500 [2,0,0,0,0,0|1,0,0]=3 89 B7R0.3 C=CCCC(=O)CC CS-0253493 [1,1,0,0,0,0|1,0,0]=3 90 B7R0.3 C=CCCC(=O)NC CS-0666768 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.3 CCC(=O)NCCN CS-0697791 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.3 CCC(=O)NCCO CS-0449194 [1,1,0,0,0,0|1,0,1]=4 93 B7R0.4 C=CCCOC(C)=O CS-0206024 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.4 CCCCCC(=N)N CS-0239620 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.4 CCCCC[N+](=O)[O-] CS-0222574 [1,1,0,0,0,0|1,0,1]=4 96 B7R0.4 CCCCOC(N)=O CS-0152093 [1,1,0,0,0,0|1,0,1]=4 97 B7R0.4 CCOCCC(=O)O CS-0216898 [1,1,0,0,0,0|1,0,0]=3 98 B7R0.4 CCSCCC(=O)O CS-0249654 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.4 CSCCCC(=O)O CS-0261815 [1,1,0,0,0,0|1,0,1]=4 100 B7R0.4 CSCCCC(C)=O CS-0459306 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.4 C\C=C/C=C/C(=O)O CS-0747017 [1,1,0,0,0,0|0,0,2]=4 102 B7R0.4 NC(=O)CCCCO CS-0236568 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.4 NCCCCC(=O)O CS-0214159 [1,1,0,0,0,0|1,0,1]=4 104 B7R0.4 NCCCCC(N)=O CS-0112084 [1,1,0,0,0,0|1,0,1]=4 105 B7R0.4 O=CNCCC(=O)O CS-0512115 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.7 C=CCC(O)CCC CS-0236276 [1,1,0,0,0,0|1,0,1]=4 107 B7R0.7 CCOC(=N)CCCl CS-0681393 [1,1,0,0,0,0|2,0,0]=4 108 B9R0.4 CCCCC(C)CC(=O)O CS-0297348 [0,2,0,0,0,0|0,0,2]=4 109 B9R0.4 CCCCC(N)CC(=O)O CS-0447568 [0,2,0,0,0,0|0,0,2]=4 110 B9R0.34 C=CC(O)CC(=O)OCC CS-0215503 [0,2,0,0,0,0|2,0,0]=4 111 B9R0.34 CCOC(=O)CN(C)C=O CS-0236851 [0,2,0,0,0,0|2,0,0]=4 112 B9R0.35 C=CCC(C)C(=O)OCC CS-0197267 [0,2,0,0,0,0|2,0,0]=4 113 B9R0.48 CCCC(=O)NCC(N)=O CS-0737569 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.48 CCNC(=O)CCC(=O)O CS-0258029 [0,2,0,0,0,0|1,0,0]=3 115 B9R0.48 CCOC(=O)COC(C)=O CS-0699051 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.48 CCOC(=S)SCC(=O)O CS-0660938 [0,2,0,0,0,0|2,0,0]=4 117 B9R0.2 C(C)=C/C=CCOC(C)=O CS-W016457 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.2 CCCCCCCC(=O)[O-] CS-0464184 [0,2,0,0,0,0|0,0,2]=4 119 B9R0.2 CCCCCCCC(N)=O CS-0206474 [0,2,0,0,0,0|0,0,2]=4 120 B9R0.2 CCCCCCOC(N)=O CS-0681044 [0,2,0,0,0,0|0,0,2]=4 121 B9R0.2 CCC\C=C\C=C\C(=O)O CS-0162370 [0,2,0,0,0,0|0,0,2]=4 122 B9R0.2 CCOCCOCC(=O)O CS-0251305 [0,2,0,0,0,0|1,0,1]=4 123 B9R0.2 COCCCCCC(=O)O CS-0214614 [0,2,0,0,0,0|0,0,2]=4 124 B9R0.2 NCCCCCCC(=O)O CS-0160022 [0,2,0,0,0,0|0,0,2]=4 125 B9R0.45 C=CCC\C=C\CCC=C CS-0503654 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.45 CCCCCC\C=C\C=O CS-0132330 [0,2,0,0,0,0|0,0,2]=4 127 B9R0.45 CCCC\C=C/CCCC CS-0205118 [0,2,0,0,0,0|1,0,1]=4 128 B9R0.45 CCCC\C=C\C=C\C=O CS-0185748 [0,2,0,0,0,0|0,0,2]=4 129 B9R0.45 CCCC\C=C\CCCC CS-0763834 [0,2,0,0,0,0|1,0,1]=4 130 B9R0.45 CC\C=C\CC\C=C\CO CS-0699000 [0,2,0,0,0,0|0,0,1]=3 131 B9R0.46 CCNCCCC(=O)OC CS-0039669 [0,2,0,0,0,0|1,0,1]=4 132 B9R0.1 NCC(=O)NCCC(N)=O CS-0511573 [0,2,0,0,0,0|2,0,0]=4 133 B9R0.55 CC(C)CNCCC(=O)O CS-0249769 [0,2,0,0,0,0|1,0,1]=4 134 B9R0.55 CC(C)CSCCC(=O)O CS-0248481 [0,2,0,0,0,0|1,0,1]=4 135 B9R0.55 CC(C)OCCCC(=O)O CS-0233297 [0,2,0,0,0,0|1,0,1]=4 136 B9R0.55 O=C(O)\C=C\CCC(=O)O CS-0468838 [0,2,0,0,0,0|1,0,1]=4 137 B7R1.1 CCC1=NCCN1 CS-0206605 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.1 CCC1=NCCO1 CS-W009554 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.1 CCC1C=CCN1 CS-0742452 [1,0,0,1,0,0|1,0,1]=4 140 B7R1.1 NCC1CC=CC1 CS-0199428 [1,0,0,1,0,0|1,0,1]=4 141 B7R1.3 C=C1CCOCC1 CS-W004277 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.3 CN1CC=CCC1 CS-0315628 [1,0,0,1,0,0|1,0,1]=4 143 B7R1.3 ClC1C=CCCC1 CS-0111298 [1,0,0,1,0,0|1,0,1]=4 144 B7R1.3 O=S1CCOCC1 CS-0686002 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.4 CC1=CCOC1=O CS-0204540 [1,0,0,1,0,0|1,0,0]=3 146 B7R1.4 O=C1CCC=C1Br CS-0030114 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.4 O=C1CCC=C1I CS-0208620 [1,0,0,1,0,0|1,0,0]=3 148 B7R1.4 O=C1CCCC1=O CS-0072875 [1,0,0,1,0,0|1,0,1]=4 149 B7R1.8 O=C1CCC1CO CS-0045469 [1,0,0,1,0,0|1,0,1]=4 150 B9R1.2 CCC1=CC(=O)NC=C1 CS-0698987 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.2 CCC1CCCC(=O)C1 CS-0261625 [0,1,0,1,0,0|0,0,2]=4 152 B9R1.2 CCN1CCCC(=O)C1 CS-0309133 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.7 CCCC1CCC(=O)O1 CS-0152400 [0,1,0,1,0,0|0,0,2]=4 154 B9R1.8 CNCC1=CCCOC1 CS-0245136 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.12 CCCCC1ccCC1 CS-0069717 [0,1,0,1,0,0|1,0,1]=4 156 B9R1.15 CC1CC=CCC1CO CS-0239130 [0,1,0,1,0,0|0,0,2]=4 157 B9R1.15 CCC1=CN=CNC1=O CS-0045834 [0,1,0,1,0,0|1,0,1]=4 158 B9R1.15 CCC1=NC=CNC1=O CS-0152481 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.15 CCN1CCNCC1=O CS-0002041 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.15 COC1=CCCCC1=O CS-0340779 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.15 CSC1CCCCC1=O CS-0348680 [0,1,0,1,0,0|0,0,2]=4 162 B9R1.27 CCC1=C(C)CNC1=O CS-W002472 [0,1,0,1,0,0|1,0,0]=3 163 B9R1.33 C=CCC1CCCC1=O CS-0215079 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.33 CCCC1CCCC1=O CS-0238047 [0,1,0,1,0,0|0,0,2]=4 165 B9R1.33 CCCN1CCCC1=O CS-0172239 [0,1,0,1,0,0|0,0,2]=4 166 B9R1.33 NCCN1CCCC1=O CS-0208375 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.33 O=C1CCCN1CCI CS-0670612 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.49 CN1CCCC(=O)CC1 CS-0343108 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.50 BrC1CCC=CCCC1 CS-0163431 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.50 OC1C=CCCCCC1 CS-0651087 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.69 CC1CCC(C)C(=O)C1 CS-0262524 [0,1,0,1,0,0|0,0,2]=4 172 B9R1.5 CN1CCNCCC1=O CS-0151065 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.5 CN1CCNCCC1=O CS-W019138 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.5 O=C1CCCCCC1Br CS-0031643 [0,1,0,1,0,0|0,0,2]=4 175 B9R1.5 O=C1CCCCCC1Cl CS-0455523 [0,1,0,1,0,0|0,0,2]=4 176 B9R1.5 O=C1CCCCCC1O CS-0965256 [0,1,0,1,0,0|0,0,2]=4 177 B9R1.14 CCN1C=CC=C1C=O CS-W004653 [0,1,0,1,0,0|0,0,2]=4 178 B9R1.21 CCC1=CC=C(C=O)O1 CS-0204240 [0,1,0,1,0,0|0,0,2]=4 179 B9R1.118 CC1(C=O)CCOCC1 CS-0047859 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.6 NC(=O)C1CC=CCC1 CS-0238091 [0,1,0,1,0,0|0,0,0]=2 181 B9R1.6 NC(=O)C1CCCNC1 CS-0317143 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.6 NC(=O)C1CCCOC1 CS-0732500 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.6 NC(=O)C1CCNCC1 CS-0149954 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.6 NC(=O)[C@@H]1CCCNC1 CS-0053311 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.6 NC(=O)[C@H]1CCCNC1 CS-0053247 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.6 NC(=O)[C@H]1CCCNC1 CS-0055165 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.6 O=C([O-])C1CCC=CO1 CS-0232044 [0,1,0,1,0,0|1,0,0]=3 188 B9R1.13 CC(=O)CC1C=CCC1 CS-0236252 [0,1,0,1,0,0|0,0,0]=2 189 B9R1.13 CC(=O)CC1CCOC1 CS-0230102 [0,1,0,1,0,0|1,0,1]=4 190 B9R1.13 NC(=O)CC1CCCC1 CS-0462156 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.13 O=C(O)CC1=CCCC1 CS-0208739 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.13 O=C(O)CC1CCCN1 CS-0005414 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.13 O=C(O)C[C@@H]1CCNC1 CS-0961996 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.40 CC1(C)COCCC1=O CS-0051615 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.41 CC(C)N1CCCC1=O CS-0358196 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.41 CC1OCCC1C(=O)O CS-0229819 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.85 O=C(O)CCNC1CC1 CS-0244365 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.85 O=C(O)CCNC1CC1 CS-0449311 [0,1,0,1,0,0|1,0,1]=4 199 B9R2.68 C1=CC2CCC(C1)C2 CS-0377934 [0,0,0,2,0,0|1,0,1]=4 200 B9R2.39 OC1CC2C=CC1C2 CS-W008466 [0,0,0,2,0,0|0,0,2]=4