0 B6R0.1 CC#CC(=O)OC CS-0066219 [0,0,0,0,0,0|0,0,2]=2 1 B6R0.1 CCCC(Cl)CC CS-0102884 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCC[C@H](N)CO CS-M1841 [0,0,0,0,0,0|3,0,1]=4 3 B6R0.1 CCOC(=O)C#N CS-0022374 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CCOC(=O)CO CS-W019892 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.1 CCO\C(O)=N\N CS-W008412 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CNC(=O)CC#N CS-W018827 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 COC(=O)C#CBr CS-0043861 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.1 COC(=O)CCBr CS-W008728 [0,0,0,0,0,0|1,0,0]=1 9 B6R0.1 COC(=O)\C=C\I CS-0042162 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.1 CC#CC(=O)O CS-W007936 [1,0,0,0,0,0|0,0,2]=3 11 B5R0.1 CC(=O)CC#N CS-W020196 [1,0,0,0,0,0|1,0,1]=3 12 B5R0.1 CC(=O)CCCl CS-W022162 [1,0,0,0,0,0|1,0,0]=2 13 B5R0.1 CCCB(O)O CS-W007470 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CCOC(=N)N CS-W019160 [1,0,0,0,0,0|3,0,0]=4 15 B5R0.1 CCOC(=S)[S-] CS-W020193 [1,0,0,0,0,0|1,2,0]=4 16 B5R0.1 CNCC(=O)O CS-W013507 [1,0,0,0,0,0|1,0,0]=2 17 B5R0.1 COCC(=O)O CS-W020123 [1,0,0,0,0,0|1,0,0]=2 18 B5R0.1 COC[C@H](C)O CS-0031378 [1,0,0,0,0,0|1,0,2]=4 19 B5R0.1 C[C@@H](N)CCO CS-W013746 [1,0,0,0,0,0|2,0,1]=4 20 B5R0.1 N=C(O)CCN CS-W007497 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 O=C(O)\C=C\Br CS-0063842 [1,0,0,0,0,0|1,0,2]=4 22 B5R0.2 CNCCNC CS-0020009 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.2 COCCCBr CS-W010945 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.2 COCCCO CS-W020636 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.3 CCC(=N)NO CS-D0340 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.3 CCC(Br)CC CS-0015742 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.3 COC(C)CO CS-W011348 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 NNC(=O)CO CS-W006527 [1,0,0,0,0,0|3,0,0]=4 29 B7R0.2 COC(=O)CC(=O)O CS-W007829 [0,1,0,0,0,0|1,0,1]=3 30 B7R0.2 COC(=O)CC(=O)[O-] CS-M3561 [0,1,0,0,0,0|1,0,1]=3 31 B7R0.2 [C@H](C)(O)CC(=O)OC CS-W011223 [0,1,0,0,0,0|0,0,0]=1 32 B7R0.3 COC(=O)CCCBr CS-W004701 [0,1,0,0,0,0|0,0,0]=1 33 B7R0.3 COC(=O)CCCCl CS-0001466 [0,1,0,0,0,0|0,0,0]=1 34 B7R0.5 CCOC(=O)C(=O)[O-] CS-0046170 [0,1,0,0,0,0|3,0,0]=4 35 B7R0.5 CCOC(=O)C(N)=S CS-M2164 [0,1,0,0,0,0|3,0,0]=4 36 B7R0.5 CCOC(=O)[C@@H](C)N CS-W018066 [0,1,0,0,0,0|2,0,0]=3 37 B7R0.7 CC#CC(=O)OCC CS-W009547 [0,1,0,0,0,0|0,0,2]=3 38 B7R0.7 CCOC(=O)CCBr CS-W007449 [0,1,0,0,0,0|1,0,0]=2 39 B7R0.7 CCOC(=O)CNC CS-W020595 [0,1,0,0,0,0|1,0,0]=2 40 B7R0.10 C=C(CBr)C(=O)OC CS-W017298 [0,1,0,0,0,0|1,0,1]=3 41 B7R0.10 CC[C@@H](N)C(=O)OC CS-0059300 [0,1,0,0,0,0|0,0,0]=1 42 B7R0.10 COC(=O)C(=O)CBr CS-W008779 [0,1,0,0,0,0|1,0,1]=3 43 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,1,0,0,0,0|1,0,0]=2 44 B7R0.10 COC(=O)C(N)CO CS-W014338 [0,1,0,0,0,0|1,0,0]=2 45 B7R0.10 COC(=O)[C@@H](C)CO CS-W023098 [0,1,0,0,0,0|1,0,0]=2 46 B7R0.10 COC(=O)[C@H](N)CS CS-W020211 [0,1,0,0,0,0|1,0,0]=2 47 B7R0.10 [C@@H](N)(CO)C(=O)OC CS-W016249 [0,1,0,0,0,0|1,0,0]=2 48 B7R1.1 CO[C@@H]1CCNC1 CS-W021134 [0,0,0,1,0,0|2,0,1]=4 49 B7R1.1 CO[C@H]1CCNC1 CS-0031390 [0,0,0,1,0,0|2,0,1]=4 50 B7R1.2 C[C@H]1COC(=O)O1 CS-W011314 [0,0,0,1,0,0|1,0,0]=2 51 B7R1.2 N[C@@H]1COC(=O)C1 CS-W009169 [0,0,0,1,0,0|1,0,0]=2 52 B7R1.2 O=C1CC(O)CN1 CS-W018808 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.2 O=C1CCC(=O)C1 CS-D0815 [0,0,0,1,0,0|2,0,1]=4 54 B7R1.2 O=C1C[C@@H](O)CN1 CS-W013709 [0,0,0,1,0,0|2,0,0]=3 55 B7R1.3 CC1CNCCO1 CS-D1584 [0,0,0,1,0,0|2,0,1]=4 56 B7R1.3 NN1CCCCC1 CS-W007639 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.3 O=C1CCNCC1 CS-W018762 [0,0,0,1,0,0|2,0,0]=3 58 B7R1.3 O=C1CCNCC1 CS-W020094 [0,0,0,1,0,0|2,0,0]=3 59 B7R1.3 O=C1COCCN1 CS-D1427 [0,0,0,1,0,0|2,0,0]=3 60 B7R1.3 O=C1COCCO1 CS-0031423 [0,0,0,1,0,0|1,0,0]=2 61 B7R1.3 O=C1CSCCN1 CS-W019146 [0,0,0,1,0,0|2,0,0]=3 62 B7R1.3 OC1CNCCO1 CS-W006148 [0,0,0,1,0,0|1,0,2]=4 63 B7R1.3 [C@H]1(C)CNCCO1 CS-W006079 [0,0,0,1,0,0|2,0,1]=4 64 B7R1.4 N[C@H]1CCOC1=O CS-0022019 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.4 O=C1CCC=C1O CS-W019237 [0,0,0,1,0,0|2,0,1]=4 66 B7R1.4 O=C1NCCC1O CS-W005201 [0,0,0,1,0,0|3,0,0]=4 67 B7R1.4 O=C1OCCC1O CS-W013699 [0,0,0,1,0,0|3,0,0]=4 68 B7R1.22 COC(=O)[C@H]1CO1 CS-B1238 [0,0,0,1,0,0|1,0,0]=2 69 B7R1.22 N=C(NO)C1CC1 CS-W005177 [0,0,0,1,0,0|3,0,0]=4 70 B4R0.1 CC(=O)CN CS-W004850 [2,0,0,0,0,0|1,0,0]=3 71 B4R0.1 CC(=O)CO CS-0017823 [2,0,0,0,0,0|1,0,0]=3 72 B4R0.1 CCC(=N)N CS-W019290 [2,0,0,0,0,0|2,0,0]=4 73 B4R0.1 CCS(=O)[O-] CS-0020098 [2,0,0,0,0,0|1,0,1]=4 74 B4R0.1 N=C(O)CBr CS-W007330 [2,0,0,0,0,0|2,0,0]=4 75 B4R0.1 N=C(O)CO CS-W016686 [2,0,0,0,0,0|2,0,0]=4 76 B4R0.2 CNCCBr CS-0042068 [2,0,0,0,0,0|2,0,0]=4 77 B4R0.2 CSCCN CS-0063136 [2,0,0,0,0,0|1,1,0]=4 78 B4R0.2 NCCON CS-M2746 [2,0,0,0,0,0|2,0,0]=4 79 B4R0.2 NOCCO CS-W011361 [2,0,0,0,0,0|2,0,0]=4 80 B4R0.2 OCCCBr CS-W007337 [2,0,0,0,0,0|1,0,1]=4 81 B4R0.2 OCCCO CS-W018490 [2,0,0,0,0,0|1,0,1]=4 82 B6R0.2 CC(=O)NC(C)C CS-M3536 [1,1,0,0,0,0|1,0,0]=3 83 B6R0.2 CC(=O)\C=C(\C)N CS-0095595 [1,1,0,0,0,0|0,0,2]=4 84 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0035182 [1,1,0,0,0,0|0,0,2]=4 85 B6R0.2 CC(=O)\C=C(\C)[O-] CS-0085625 [1,1,0,0,0,0|0,0,2]=4 86 B6R0.2 CC(O)CC(=O)[O-] CS-W011168 [1,1,0,0,0,0|0,0,1]=3 87 B6R0.2 C[C@H](O)C[C@H](C)O CS-0085738 [1,1,0,0,0,0|0,0,2]=4 88 B6R0.2 [C@H](C)(O)CC(=O)[O-] CS-W016567 [1,1,0,0,0,0|0,0,1]=3 89 B6R0.3 C=CC(C)C(=O)O CS-0006592 [1,1,0,0,0,0|0,0,2]=4 90 B6R0.3 CCC(N)C(=O)O CS-W011306 [1,1,0,0,0,0|0,0,0]=2 91 B6R0.3 CC[C@H](N)C(=O)O CS-0044026 [1,1,0,0,0,0|0,0,0]=2 92 B6R0.3 CC[C@H](N)C(N)=O CS-B0864 [1,1,0,0,0,0|1,0,0]=3 93 B6R0.3 CN[C@H](C)C(=O)O CS-0094542 [1,1,0,0,0,0|1,0,0]=3 94 B6R0.3 N[C@H](CCl)C(=O)O CS-0100201 [1,1,0,0,0,0|1,0,0]=3 95 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [1,1,0,0,0,0|1,0,0]=3 96 B6R0.3 N[C@H](CS)C(=O)O CS-W002074 [1,1,0,0,0,0|1,0,0]=3 97 B6R0.3 N[C@H](CS)C(=O)O CS-W019341 [1,1,0,0,0,0|1,0,0]=3 98 B6R0.3 [C@@H](C)(NC)C(=O)O CS-W016642 [1,1,0,0,0,0|1,0,0]=3 99 B6R0.3 [C@H](N)(CO)C(=N)O CS-W008254 [1,1,0,0,0,0|2,0,0]=4 100 B6R0.4 C#CCCC(=O)O CS-W008784 [1,1,0,0,0,0|0,0,1]=3 101 B6R0.4 C=CCCC(=O)O CS-W009138 [1,1,0,0,0,0|0,0,1]=3 102 B6R0.4 CC(=O)NCCN CS-W013694 [1,1,0,0,0,0|1,0,0]=3 103 B6R0.4 CC(=O)NCCO CS-W013689 [1,1,0,0,0,0|1,0,0]=3 104 B6R0.4 CC(C)CCCO CS-W007511 [1,1,0,0,0,0|1,0,1]=4 105 B6R0.4 CCOCC(=O)O CS-0071579 [1,1,0,0,0,0|0,0,0]=2 106 B6R0.4 CNCCC(C)C CS-W018343 [1,1,0,0,0,0|1,0,1]=4 107 B6R0.4 CNCCN(C)C CS-W022914 [1,1,0,0,0,0|2,0,0]=4 108 B6R0.4 CO\C=C\C(C)=O CS-W013712 [1,1,0,0,0,0|0,0,2]=4 109 B6R0.4 N#CCCC(=O)O CS-W018565 [1,1,0,0,0,0|0,0,1]=3 110 B6R0.4 O=C(O)CCCBr CS-W016047 [1,1,0,0,0,0|0,0,0]=2 111 B6R0.5 CS(=O)(=O)CCBr CS-0084612 [1,1,0,0,0,0|2,0,0]=4 112 B8R0.5 CCOC(=O)CC(C)N CS-0030781 [0,2,0,0,0,0|0,0,0]=2 113 B8R0.5 CCOC(=O)C[C@@H](C)O CS-D1461 [0,2,0,0,0,0|0,0,0]=2 114 B8R0.5 CCOC(=O)C[N+](=O)[O-] CS-0000037 [0,2,0,0,0,0|2,0,0]=4 115 B8R0.19 CCC(=O)CC(=O)CC CS-W013466 [0,2,0,0,0,0|1,0,0]=3 116 B8R0.19 CN\C(C)=C\C(=O)OC CS-M1728 [0,2,0,0,0,0|0,0,2]=4 117 B8R0.23 CC(=O)C(=O)OC(C)C CS-M0668 [0,2,0,0,0,0|2,0,0]=4 118 B8R0.23 CC(C)OC(=O)[C@@H](C)N CS-M2998 [0,2,0,0,0,0|2,0,0]=4 119 B8R0.24 CNC(=O)OC(C)(C)C CS-W007463 [0,2,0,0,0,0|2,0,0]=4 120 B8R0.1 C(CBr)=CC(=O)OCC CS-W007837 [0,2,0,0,0,0|0,0,2]=4 121 B8R0.1 CCOC(=O)CCC#N CS-0094471 [0,2,0,0,0,0|0,0,1]=3 122 B8R0.1 CCOC(=O)CCCN CS-W010794 [0,2,0,0,0,0|0,0,0]=2 123 B8R0.3 C=C(CBr)C(=O)OCC CS-W015793 [0,2,0,0,0,0|1,0,1]=4 124 B8R0.3 CCC[C@@H](N)C(=O)OC CS-M2701 [0,2,0,0,0,0|0,0,0]=2 125 B8R0.3 CCOC(=O)C(=O)CBr CS-W008597 [0,2,0,0,0,0|1,0,1]=4 126 B8R0.3 CCOC(=O)C(=O)CC CS-W005382 [0,2,0,0,0,0|0,0,1]=3 127 B8R0.3 CCOC(=O)C(Br)CBr CS-W012517 [0,2,0,0,0,0|1,0,0]=3 128 B8R0.3 CCOC(=O)[C@@H](N)CS CS-B1669 [0,2,0,0,0,0|1,0,0]=3 129 B8R0.3 [C@H](N)(CO)C(=O)OCC CS-W017712 [0,2,0,0,0,0|1,0,0]=3 130 B8R0.6 COC(=O)CCCCCl CS-0098043 [0,2,0,0,0,0|0,0,0]=2 131 B8R0.6 COC(=O)CCCCN CS-0018002 [0,2,0,0,0,0|0,0,0]=2 132 B8R0.6 COCCCC(=O)OC CS-W011093 [0,2,0,0,0,0|0,0,0]=2 133 B8R0.13 COC(=O)C(C)(C)C#N CS-0028771 [0,2,0,0,0,0|1,0,1]=4 134 B8R0.13 COC(=O)C(C)(C)CN CS-W018801 [0,2,0,0,0,0|1,0,0]=3 135 B8R0.13 COC(=O)C(C)(C)CO CS-W013414 [0,2,0,0,0,0|1,0,0]=3 136 B6R1.2 O=C1C=CCC1 CS-W011359 [1,0,0,1,0,0|0,0,2]=4 137 B6R1.2 O=C1C=CCO1 CS-W008270 [1,0,0,1,0,0|0,0,2]=4 138 B6R1.2 O=C1CCOC1 CS-D1574 [1,0,0,1,0,0|1,0,0]=3 139 B6R1.2 O=C1NCCS1 CS-W023026 [1,0,0,1,0,0|1,1,0]=4 140 B6R1.5 NC1CC(=O)C1 CS-W005321 [1,0,0,1,0,0|1,0,0]=3 141 B6R1.11 C[C@@H](N)C1CC1 CS-0034128 [1,0,0,1,0,0|1,0,1]=4 142 B6R1.11 C[C@H](N)C1CC1 CS-0036411 [1,0,0,1,0,0|1,0,1]=4 143 B6R1.11 O=S([O-])C1CC1 CS-W023133 [1,0,0,1,0,0|1,0,1]=4 144 B6R1.11 OB(O)C1CC1 CS-D1018 [1,0,0,1,0,0|1,0,1]=4 145 B6R1.1 C1=CCNCC1 CS-W021272 [1,0,0,1,0,0|2,0,0]=4 146 B6R1.1 C1CCNCC1 CS-W004746 [1,0,0,1,0,0|1,0,1]=4 147 B6R1.6 COC1CNC1 CS-W008894 [1,0,0,1,0,0|1,0,1]=4 148 B6R1.6 NCC1COC1 CS-W008698 [1,0,0,1,0,0|1,0,1]=4 149 B6R1.6 OCC1COC1 CS-W004925 [1,0,0,1,0,0|1,0,1]=4 150 B8R1.1 C=CC1COC(=O)C1 CS-B0698 [0,1,0,1,0,0|0,0,1]=3 151 B8R1.1 NC[C@H]1CCC(=O)N1 CS-0105178 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.1 O=C1CCC(CBr)O1 CS-M2142 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.1 O=C1CC[C@@H](CO)N1 CS-B0366 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.1 O=C1N[C@@H](CO)CO1 CS-0067476 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.4 NC1=CC(=O)CCC1 CS-0032855 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.51 CC1(C)CCC(=O)N1 CS-W022267 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.2 COC1CCNCC1 CS-0040128 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.2 COC1CCNCC1 CS-W005038 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.3 CN1CCC(=O)CC1 CS-W009198 [0,1,0,1,0,0|1,0,0]=3 160 B8R1.3 O=C1CC[C@@H](O)CN1 CS-D0041 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.3 O=C1CC[C@H](O)CN1 CS-D0042 [0,1,0,1,0,0|1,0,0]=3 162 B8R1.3 O=C1COC(=O)CO1 CS-0046191 [0,1,0,1,0,0|1,0,1]=4 163 B8R1.5 CC1=NCCCN1C CS-W021273 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.5 CC1CNCCC1=O CS-D0046 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.5 CC1NCCNC1=O CS-0046850 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.5 O=C1NCCCC1O CS-W008630 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.50 CC1C(=O)CCC1=O CS-W013660 [0,1,0,1,0,0|1,0,1]=4 168 B8R1.50 CN1CCN(C)C1=O CS-W008767 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.11 N#CC1CCCC1=O CS-W005103 [0,1,0,1,0,0|1,0,1]=4 170 B8R1.39 COC(=O)C1(N)CC1 CS-W008219 [0,1,0,1,0,0|0,0,0]=2 171 B8R1.72 O=S1(=O)CCCCO1 CS-W018691 [0,1,0,1,0,0|1,0,0]=3