0 B7R0.3 C=C(CC)CCCC SBB060475 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.3 C=CCNC(=O)CCl SBB085845 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.3 C=CCNC(=S)NN SBB038410 [0,0,0,0,0,0|3,1,0]=4 3 B7R0.3 CCC(=O)OCCCl SBB060315 [0,0,0,0,0,0|1,1,1]=3 4 B7R0.3 CCCNC(=O)CCl SBB016586 [0,0,0,0,0,0|2,0,2]=4 5 B7R0.3 CCCOC(=O)CCl SBB060962 [0,0,0,0,0,0|1,1,2]=4 6 B7R0.3 CCCOC(=O)CS SBB061003 [0,0,0,0,0,0|1,1,2]=4 7 B7R0.3 CNCCC(=O)NC SBB046578 [0,0,0,0,0,0|3,0,1]=4 8 B7R0.3 CNCCC(=O)NC SBB080433 [0,0,0,0,0,0|3,0,1]=4 9 B7R0.3 O=C(CCl)OCCCl SBB061273 [0,0,0,0,0,0|2,1,1]=4 10 B6R0.1 CCCC(=O)CC SBB061496 [1,0,0,0,0,0|0,0,2]=3 11 B6R0.1 CCCC(=O)OC SBB061104 [1,0,0,0,0,0|1,0,2]=4 12 B6R0.1 CCNC(=O)CBr SBB051008 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.1 CCNC(=O)CCl SBB008200 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.1 CCOC(=O)CBr SBB060995 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.1 CCOC(=O)CC SBB060312 [1,0,0,0,0,0|0,1,1]=3 16 B6R0.1 COC(=O)CC#N SBB059483 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.1 COC(=O)CCBr SBB070709 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.1 COC(=O)CCN SBB071679 [1,0,0,0,0,0|2,0,1]=4 19 B6R0.1 C\C=C\C(=O)OC SBB061218 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.1 OCNC(=O)CCl SBB004273 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.1 [NH3+]CC(=O)OCC SBB056599 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.4 C=CCCC(=O)O SBB061214 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 C=CCCC(C)=O SBB009089 [1,0,0,0,0,0|1,0,0]=2 24 B6R0.4 C=CCNC(N)=S SBB028197 [1,0,0,0,0,0|2,1,0]=4 25 B6R0.4 CC(=O)NCCCl SBB008165 [1,0,0,0,0,0|2,0,1]=4 26 B6R0.4 CC(=O)NCCN SBB028176 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CC(=O)NCCO SBB007954 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CC(=O)OCCCl SBB058505 [1,0,0,0,0,0|1,1,1]=4 29 B6R0.4 CCCCC(C)=O SBB061262 [1,0,0,0,0,0|1,0,2]=4 30 B6R0.4 CCCOC(C)=O SBB060305 [1,0,0,0,0,0|0,1,2]=4 31 B6R0.6 C=CCCCCBr SBB054740 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 C=CCCCCC SBB059882 [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 C=CCOCCO SBB060194 [1,0,0,0,0,0|1,1,1]=4 34 B6R0.6 C=CCSCC=C SBB060116 [1,0,0,0,0,0|0,0,3]=4 35 B6R0.6 CCCSCCC SBB061017 [1,0,0,0,0,0|0,0,3]=4 36 B6R0.6 CCCSCCO SBB058605 [1,0,0,0,0,0|1,0,2]=4 37 B6R0.6 CC\C=C/CCO SBB007739 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.1 C=CCOC(=O)CC#N SBB068292 [0,1,0,0,0,0|0,1,1]=3 39 B8R0.1 C=CCOC(=O)CCC SBB061324 [0,1,0,0,0,0|0,1,0]=2 40 B8R0.1 CCCC(=O)OCCCl SBB061294 [0,1,0,0,0,0|1,1,1]=4 41 B8R0.1 CCCCC(=O)OCC SBB061113 [0,1,0,0,0,0|1,0,2]=4 42 B8R0.1 CCCOC(=O)CCC SBB061105 [0,1,0,0,0,0|0,1,2]=4 43 B8R0.1 CCOC(=O)CCCBr SBB070757 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.1 CCOC(=O)CCCN SBB003878 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.1 CCOC(=O)CNC=O SBB067158 [0,1,0,0,0,0|3,0,0]=4 46 B8R0.1 CCOC(=O)NCCO SBB079074 [0,1,0,0,0,0|2,0,1]=4 47 B8R0.1 O=C(CCS)OCCO SBB008479 [0,1,0,0,0,0|1,1,1]=4 48 B8R0.6 C=CCSCC(=O)OC SBB008000 [0,1,0,0,0,0|1,0,0]=2 49 B8R0.6 CCCCCC(=O)CC SBB060388 [0,1,0,0,0,0|1,0,2]=4 50 B8R0.6 CCCCOC(=O)CC SBB060578 [0,1,0,0,0,0|0,1,2]=4 51 B8R0.8 CC(O)C(=O)NCCO SBB008212 [0,1,0,0,0,0|2,0,1]=4 52 B8R0.8 CCCOC(=O)C(C)Cl SBB060963 [0,1,0,0,0,0|0,1,2]=4 53 B8R0.9 CCC(=O)CCC(=O)O SBB072628 [0,1,0,0,0,0|2,0,0]=3 54 B8R0.9 CCC(=O)OCC(C)C SBB060974 [0,1,0,0,0,0|0,1,2]=4 55 B8R0.9 CNC(=O)CCC(=O)O SBB007999 [0,1,0,0,0,0|3,0,0]=4 56 B8R0.9 COC(=O)CCC(=O)O SBB061270 [0,1,0,0,0,0|3,0,0]=4 57 B8R0.9 NCC(=O)CCC(=O)O SBB003880 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.9 NCC(=O)CCC(=O)O SBB071696 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.9 NCC(=O)NCC(=O)O SBB067231 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.11 C(=O)\C(=C\CCC)CC SBB008156 [0,1,0,0,0,0|1,0,2]=4 61 B8R0.19 CCC(=O)OC(C)CC SBB061103 [0,1,0,0,0,0|0,1,2]=4 62 B8R1.1 CCC1=CC(Br)=CS1 SBB073295 [0,0,0,1,0,0|2,0,1]=4 63 B8R1.1 O=C1CCC(CCl)O1 SBB074378 [0,0,0,1,0,0|1,1,1]=4 64 B8R1.1 O=C1NCC(CBr)S1 SBB019210 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.1 OC[C@@H]1CCC(=O)N1 SBB004302 [0,0,0,1,0,0|2,0,1]=4 66 B8R1.2 CCC1=CC=CC=C1 SBB040891 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.2 CCC1=CC=CC=N1 SBB060373 [0,0,0,1,0,0|2,0,1]=4 68 B8R1.2 CCC1=CN=CC=C1 SBB060374 [0,0,0,1,0,0|3,0,0]=4 69 B8R1.3 CC1=NNC(=O)CC1 SBB043888 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.3 CN1CCC(=O)CC1 SBB080527 [0,0,0,1,0,0|2,0,1]=4 71 B8R1.3 O=C1CCC(=O)CC1 SBB059391 [0,0,0,1,0,0|2,0,0]=3 72 B8R1.3 O=C1CCC(O)CC1 SBB056283 [0,0,0,1,0,0|2,0,1]=4 73 B8R1.3 O=C1CNC(=O)CN1 SBB079702 [0,0,0,1,0,0|3,0,0]=4 74 B8R1.5 CC1=CC=CNC1=O SBB040120 [0,0,0,1,0,0|1,0,2]=4 75 B8R1.5 CC1CCCCC1=O SBB058517 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.5 CC1NCCNC1=O SBB080100 [0,0,0,1,0,0|2,0,1]=4 77 B8R1.5 CC1SCCNC1=O SBB111924 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 O=C1CCCCCC1 SBB060075 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.22 O=C1CCCCCN1 SBB058658 [0,0,0,1,0,0|1,0,2]=4 80 B8R1.22 O=C1CCNCCN1 SBB056241 [0,0,0,1,0,0|2,0,1]=4 81 B8R1.50 CC1=C(C)C(=O)NC1 SBB055792 [0,0,0,1,0,0|1,0,2]=4 82 B8R1.50 CC1C(=O)CCC1=O SBB060744 [0,0,0,1,0,0|2,0,0]=3 83 B8R1.50 CN1C(=O)CSC1=S SBB023537 [0,0,0,1,0,0|2,1,0]=4 84 B8R1.50 O=C1COC(=O)C1Cl SBB059534 [0,0,0,1,0,0|2,1,0]=4 85 B5R0.1 CC(=O)CC#N SBB014113 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.2 C=CCN=C=O SBB048102 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.2 CCSCCN SBB017894 [2,0,0,0,0,0|1,0,1]=4 88 B5R0.3 CCC(=O)NN SBB021112 [2,0,0,0,0,0|2,0,0]=4 89 B5R0.3 CNC(=O)CBr SBB080576 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.3 CNC(=O)CCl SBB049936 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.3 COC(=O)CBr SBB056823 [2,0,0,0,0,0|1,1,0]=4 92 B5R0.3 COC(=O)CCl SBB040686 [2,0,0,0,0,0|1,1,0]=4 93 B7R0.2 CCC(=O)OC(C)C SBB061101 [1,1,0,0,0,0|0,1,1]=4 94 B7R0.2 COC(=O)CC(C)=O SBB060889 [1,1,0,0,0,0|1,0,1]=4 95 B7R0.5 CCOC(=O)C(C)Br SBB058608 [1,1,0,0,0,0|0,1,1]=4 96 B7R0.5 CCOC(=O)C(C)C SBB060711 [1,1,0,0,0,0|0,1,1]=4 97 B7R0.5 CCOC(=O)C(C)N SBB004040 [1,1,0,0,0,0|0,1,1]=4 98 B7R0.7 C=C=CC(=O)OCC SBB054147 [1,1,0,0,0,0|0,0,2]=4 99 B7R0.7 CCCC(=O)CCC SBB060386 [1,1,0,0,0,0|0,0,2]=4 100 B7R0.7 CCNC(=O)CC#N SBB000040 [1,1,0,0,0,0|1,0,1]=4 101 B7R0.7 CCNC(=O)NCC SBB058550 [1,1,0,0,0,0|1,0,1]=4 102 B7R0.7 CCOC(=O)CC#N SBB040821 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.7 CCOC(=O)CCBr SBB070739 [1,1,0,0,0,0|0,1,1]=4 104 B7R0.7 CCOC(=O)CCN SBB004038 [1,1,0,0,0,0|0,1,1]=4 105 B7R0.7 CCOC(=O)CNN SBB021976 [1,1,0,0,0,0|2,0,0]=4 106 B7R0.7 CCOC(=O)CNN SBB054137 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.7 CCOC(=O)OCC SBB060086 [1,1,0,0,0,0|0,1,1]=4 108 B7R0.7 C\C=C\C(=O)OCC SBB061219 [1,1,0,0,0,0|0,0,2]=4 109 B7R0.7 N(C)CC(=O)OCC SBB004039 [1,1,0,0,0,0|0,1,1]=4 110 B7R0.10 COC(=O)C(Cl)C=O SBB072103 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.6 CC(=O)CCC(=O)O SBB040561 [1,1,0,0,0,0|2,0,0]=4 112 B7R0.6 CC(=O)CCC(C)=O SBB040811 [1,1,0,0,0,0|1,0,1]=4 113 B7R0.6 CC(=O)NCC(=O)O SBB036034 [1,1,0,0,0,0|2,0,0]=4 114 B7R0.1 C=CCCCCCC SBB059884 [1,1,0,0,0,0|1,0,1]=4 115 B7R0.1 C=CCSCCCC SBB058522 [1,1,0,0,0,0|0,0,1]=3 116 B7R0.1 C\C=C\CCCCC SBB059885 [1,1,0,0,0,0|1,0,1]=4 117 B9R0.18 C=CCNC(=S)NCCO SBB066543 [0,2,0,0,0,0|1,1,0]=4 118 B9R0.48 CCCC(=O)CCC(C)=O SBB008161 [0,2,0,0,0,0|1,0,1]=4 119 B9R0.48 OC(=O)CSC(=S)OCC SBB058117 [0,2,0,0,0,0|1,1,0]=4 120 B9R0.3 C=CCOC(=O)C(F)(F)F SBB006598 [0,2,0,0,0,0|1,1,0]=4 121 B9R0.7 CC(S)C(=O)NCC(=O)O SBB057668 [0,2,0,0,0,0|2,0,0]=4 122 B7R1.1 CSC1=CC=CS1 SBB085766 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.1 NCC1=CC=CS1 SBB004315 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.1 NCC1=NC=CS1 SBB052479 [1,0,0,1,0,0|2,0,0]=4 125 B7R1.1 OCC1=CC=CS1 SBB058563 [1,0,0,1,0,0|2,0,0]=4 126 B7R1.1 OCC1=NC=CS1 SBB054805 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.2 O=C1CCC(=O)N1 SBB040866 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.2 O=C1CCC(=O)O1 SBB040819 [1,0,0,1,0,0|1,1,0]=4 129 B7R1.2 O=C1CNC(=S)S1 SBB035894 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.2 O=C1COC(=O)C1 SBB008561 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.3 CC1CC=CCC1 SBB060473 [1,0,0,1,0,0|1,0,1]=4 132 B7R1.3 O=C1C=CCCC1 SBB008209 [1,0,0,1,0,0|0,0,2]=4 133 B7R1.3 O=C1CCCCC1 SBB060074 [1,0,0,1,0,0|0,0,2]=4 134 B7R1.3 O=C1CCCCO1 SBB060349 [1,0,0,1,0,0|0,1,1]=4 135 B7R1.3 O=C1CCOCC1 SBB049627 [1,0,0,1,0,0|1,0,1]=4 136 B7R1.3 O=C1CCSCC1 SBB048121 [1,0,0,1,0,0|1,0,1]=4 137 B7R1.4 CC1=C(Br)SC=C1 SBB089226 [1,0,0,1,0,0|1,0,1]=4 138 B7R1.4 NC1CCSC1=O SBB004035 [1,0,0,1,0,0|1,0,1]=4 139 B7R1.24 C1=CCCCCC1 SBB059889 [1,0,0,1,0,0|1,0,1]=4 140 B9R1.27 CCN1C(=O)CSC1=S SBB023534 [0,1,0,1,0,0|1,1,0]=4 141 B9R1.49 O=C1CCC(=O)COC1 SBB000058 [0,1,0,1,0,0|1,1,0]=4 142 B9R1.11 CCC(=O)C1=CC=CS1 SBB028613 [0,1,0,1,0,0|0,0,1]=3 143 B9R1.11 CCC(=O)C1=NC=CS1 SBB109622 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.11 CNC(=O)C1=CC=CS1 SBB086206 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.11 COC(=O)C1=CC=CS1 SBB058305 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.11 O=C(CBr)C1=CC=CS1 SBB005904 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.11 O=C(CCl)C1=CC=CS1 SBB051673 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.35 O=C1CCC(C(=O)O)C1 SBB069114 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.35 O=C1CC[C@@H](C(=O)O)N1 SBB004232 [0,1,0,1,0,0|2,0,0]=4 150 B9R2.39 [C@@H]12C=C[C@@H](C1)NC2=O SBB056352 [0,0,0,2,0,0|1,0,0]=3