0 B6R0.1 CCC(=O)N=C=S AT25941 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCC[C@H](C)CBr S11885 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCNC(=O)OC C16084 [0,0,0,0,0,0|2,0,0]=2 3 B6R0.1 CCOC(=N)CCl AC8745 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.1 CCOC(=S)SC AC9840 [0,0,0,0,0,0|1,1,0]=2 5 B6R0.1 CC[C@H](N)CCO AT22371 [0,0,0,0,0,0|3,0,1]=4 6 B6R0.1 CC[C@H](N)COC D87652 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 CC[C@H](N)COC D87653 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 COCC(=O)CCl D85993 [0,0,0,0,0,0|3,0,0]=3 9 B6R0.1 COCC(=O)OC F53343 [0,0,0,0,0,0|3,0,0]=3 10 B6R0.1 CONC(=O)CCl AT14830 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C\C(=C\CO)CO C92111 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 O=C(CCCl)NO AC8818 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(C)CCC D91296 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CC#CC(C)=O AC8567 [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CC(=O)CCBr D82681 [1,0,0,0,0,0|2,0,0]=3 16 B5R0.1 CCC[C@H](C)N N10856 [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CCC[C@H](C)N N15476 [1,0,0,0,0,0|2,0,1]=4 18 B5R0.1 CNCC(C)=O 72642 [1,0,0,0,0,0|2,0,0]=3 19 B5R0.1 CONC(C)=O AT24901 [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CONC(N)=O AT24902 [1,0,0,0,0,0|3,0,0]=4 21 B5R0.1 C[S@](=O)CCN AT24516 [1,0,0,0,0,0|3,0,0]=4 22 B5R0.1 C[S@](=O)CCN AT24517 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.1 C[S@](=O)CCO E72546 [1,0,0,0,0,0|3,0,0]=4 24 B5R0.1 C\C(I)=C/CI AC6903 [1,0,0,0,0,0|3,0,0]=4 25 B5R0.1 NCCC(=O)O T70551 [1,0,0,0,0,0|3,0,0]=4 26 B5R0.1 NCCC(N)=O AC6190 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 [2H]C(=O)OCC D98566 [1,0,0,0,0,0|1,0,0]=2 28 B5R0.2 CCCNOC AT24927 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.3 C=C(CC)CBr C77504 [1,0,0,0,0,0|2,0,0]=3 31 B5R0.3 C=C(CC)CC D90428 [1,0,0,0,0,0|1,0,0]=2 32 B5R0.3 C=C(SC)SC T70983 [1,0,0,0,0,0|2,1,0]=4 33 B5R0.3 CCC(=O)CCl AT22640 [1,0,0,0,0,0|1,0,0]=2 34 B5R0.3 CCP(Cl)CC A12755 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.3 CC[C@H](C)CBr D86395 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.3 CC[C@H](C)CN 88661 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.3 CC[C@H](C)CO 88660 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.3 CC[C@H](C)ON AT14504 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.3 CNC(=O)NN A50867 [1,0,0,0,0,0|3,0,0]=4 40 B5R0.3 COC(=N)CCl H10399 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 CO[C@@H](C)CN 91000 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.3 [2H]N(CC)CC D98468 [1,0,0,0,0,0|2,0,0]=3 43 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|2,0,0]=3 44 B7R0.2 COC(=O)CN(C)C F21349 [0,1,0,0,0,0|3,0,0]=4 45 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 C#CCNC(=O)CBr AT23362 [0,1,0,0,0,0|2,0,1]=4 47 B7R0.3 CCC(=O)OCOC D72002 [0,1,0,0,0,0|0,0,0]=1 48 B7R0.3 CCCNC(=O)CN C78397 [0,1,0,0,0,0|2,0,0]=3 49 B7R0.3 CCONC(=O)CN AT14835 [0,1,0,0,0,0|1,0,0]=2 50 B7R0.3 CNC(=O)NCCO AT23083 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.3 CNC(=O)OCCO AT13707 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.3 CNOCC(=O)OC AT14517 [0,1,0,0,0,0|2,0,0]=3 53 B7R0.3 COC(=N)CCCCl C76486 [0,1,0,0,0,0|3,0,0]=4 54 B7R0.3 COC(=O)CCCN 32601 [0,1,0,0,0,0|2,0,0]=3 55 B7R0.3 COC(=O)NCCN AT13709 [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 COC(=O)\C=C\CO AT12483 [0,1,0,0,0,0|2,0,1]=4 57 B7R0.5 CC(C)C(=O)NCO 81303 [0,1,0,0,0,0|2,0,0]=3 58 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.5 CCOC(=N)C(C)C W12825 [0,1,0,0,0,0|1,0,0]=2 60 B7R0.5 CN(C)C(=O)CCCl F53638 [0,1,0,0,0,0|3,0,0]=4 61 B7R0.5 CN(C)C(=O)CCN P17578 [0,1,0,0,0,0|3,0,0]=4 62 B7R0.5 CN(C)C(=O)OCCl C77477 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.7 CCC[C@H](N)CCO N15481 [0,1,0,0,0,0|2,0,1]=4 64 B7R0.7 CCC[C@H](N)CCO N15482 [0,1,0,0,0,0|2,0,1]=4 65 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.7 CCOC(=O)CCN F19878 [0,1,0,0,0,0|0,0,0]=1 67 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,1,0,0,0,0|0,0,2]=3 68 B7R0.7 CCSC(=O)OCI C77591 [0,1,0,0,0,0|1,0,0]=2 69 B7R0.7 O=C(CCBr)CCBr 52047 [0,1,0,0,0,0|2,0,0]=3 70 B7R0.10 C=C(CC)C(=O)OC 82635 [0,1,0,0,0,0|2,0,0]=3 71 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [0,1,0,0,0,0|3,0,0]=4 72 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [0,1,0,0,0,0|3,0,0]=4 73 B7R0.10 COC(=O)[C@@H](F)CN 94842 [0,1,0,0,0,0|3,0,0]=4 74 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,1,0,0,0,0|3,0,0]=4 75 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,1,0,0,0,0|3,0,0]=4 76 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,1,0,0,0,0|3,0,0]=4 77 B7R0.11 CCCC(C)(C)CC T71064 [0,1,0,0,0,0|2,0,1]=4 78 B7R0.11 CCOC(C)(C)CC D78478 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.11 CCS(=O)(=O)CCN AT25558 [0,1,0,0,0,0|3,0,0]=4 80 B7R1.1 CCC1=CN=CO1 C77473 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.1 CCC1CCCC1 T71889 [0,0,0,1,0,0|2,0,1]=4 82 B7R1.1 CC[C@H]1CCCN1 N12693 [0,0,0,1,0,0|2,0,1]=4 83 B7R1.1 CNC1=NCCN1 AT25111 [0,0,0,1,0,0|3,0,0]=4 84 B7R1.1 COC1=NCCN1 D98226 [0,0,0,1,0,0|3,0,0]=4 85 B7R1.2 CC1=N[C@@H](C)CS1 C92282 [0,0,0,1,0,0|3,0,0]=4 86 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|2,0,0]=3 87 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|2,0,0]=3 88 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|2,0,0]=3 89 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.2 C[C@H]1CN=C(N)N1 AT25109 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|1,0,0]=2 92 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,0]=3 93 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,0]=3 94 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,0]=3 95 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|2,0,0]=3 96 B7R1.2 O=C1CCC(=S)N1 N13285 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|2,0,0]=3 98 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,0,0,1,0,0|2,1,0]=4 99 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.3 C=C1CCNCC1 33821 [0,0,0,1,0,0|3,0,0]=4 103 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,1,0,0|3,0,0]=4 104 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,1,0,0|2,0,1]=4 105 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,1,0,0|2,0,0]=3 106 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,1,0,0|3,0,0]=4 107 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,1,0,0|1,1,0]=3 108 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,0,0,1,0,0|2,0,1]=4 109 B7R1.4 C[C@H]1CCNC1=O C74322 [0,0,0,1,0,0|1,0,0]=2 110 B7R1.4 C[C@H]1CNCC1=O F13737 [0,0,0,1,0,0|2,0,0]=3 111 B7R1.4 C[C@H]1COCC1=O AT13358 [0,0,0,1,0,0|2,0,0]=3 112 B7R1.4 N[C@H]1CCOC1=O S11138 [0,0,0,1,0,0|1,0,0]=2 113 B7R1.4 O=C1CCCC1=O AC2232 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,0,0,1,0,0|2,0,1]=4 115 B7R1.21 CCCC1(O)CC1 AT11368 [0,0,0,1,0,0|1,0,2]=4 116 B7R1.21 CCOC1(Br)CC1 F53374 [0,0,0,1,0,0|1,0,1]=3 117 B7R1.21 CCOC1(N)CC1 AT19095 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.22 CCC(=O)C1CC1 P11281 [0,0,0,1,0,0|1,0,0]=2 119 B7R1.22 NCC(=O)C1CC1 C77542 [0,0,0,1,0,0|2,0,0]=3 120 B7R1.25 C[C@]1(CN)CCO1 D97140 [0,0,0,1,0,0|2,0,1]=4 121 B4R0.1 CC(=O)CN D87844 [2,0,0,0,0,0|1,0,0]=3 122 B4R0.1 CC[13C](=O)O D99417 [2,0,0,0,0,0|0,0,0]=2 123 B4R0.1 CC[C@H](C)N 90231 [2,0,0,0,0,0|1,0,1]=4 124 B4R0.1 CC[C@H](C)N N12286 [2,0,0,0,0,0|1,0,1]=4 125 B4R0.1 CC[C@H](C)N N12342 [2,0,0,0,0,0|1,0,1]=4 126 B4R0.1 NCC(N)=O FD21645 [2,0,0,0,0,0|2,0,0]=4 127 B4R0.1 [15NH2]CC(=O)O 41444 [2,0,0,0,0,0|1,0,0]=3 128 B4R0.1 [2H]C(=O)NC D99232 [2,0,0,0,0,0|2,0,0]=4 129 B4R0.1 [2H]C(=O)OC D99666 [2,0,0,0,0,0|1,0,0]=3 130 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|0,0,2]=4 131 B4R0.2 CCNCC T70517 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,1]=4 133 B4R0.2 COCCS AT13674 [2,0,0,0,0,0|1,0,1]=4 134 B4R0.2 [2H]OCCC D99167 [2,0,0,0,0,0|1,0,1]=4 135 B6R0.3 C=C(CC)C(=O)O 81925 [1,1,0,0,0,0|2,0,0]=4 136 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,1,0,0,0,0|2,0,0]=4 137 B6R0.4 C=C(C)CCCO 71061 [1,1,0,0,0,0|2,0,0]=4 138 B6R0.4 CC(C)OCCS AT13760 [1,1,0,0,0,0|1,0,1]=4 139 B6R0.4 CCNCC(=O)O T72729 [1,1,0,0,0,0|2,0,0]=4 140 B6R0.4 CCONC(C)=O AT24904 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.4 CNCCC(N)=O C78256 [1,1,0,0,0,0|2,0,0]=4 142 B6R0.4 COCOC(C)=O D72003 [1,1,0,0,0,0|0,0,0]=2 143 B6R0.4 NC(=O)CCCO AT20755 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.4 NCCCC(=O)O T70552 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.4 NCCCC(N)=O AC5898 [1,1,0,0,0,0|2,0,0]=4 146 B6R0.4 O=C(Cl)OCCF AT25498 [1,1,0,0,0,0|1,0,0]=3 147 B6R0.5 CCOS(=O)(=O)O 44479 [1,1,0,0,0,0|2,0,0]=4 148 B6R0.5 CCOS(=O)(=O)[O-] D78454 [1,1,0,0,0,0|2,0,0]=4 149 B6R0.5 CCO[P@@](C)(=O)O 88048 [1,1,0,0,0,0|1,0,0]=3 150 B6R0.6 CCNCCSC AT25567 [1,1,0,0,0,0|1,0,1]=4 151 B6R0.6 CCOCCNN AC6859 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.6 CCOCCON AT14482 [1,1,0,0,0,0|1,0,1]=4 153 B6R0.6 CCO\C=C\C=O F18326 [1,1,0,0,0,0|0,0,2]=4 154 B6R0.6 C\C=C/CCCCl T71143 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.6 NCCOCCF AT12496 [1,1,0,0,0,0|1,0,1]=4 156 B6R0.6 OCCOCCI C77657 [1,1,0,0,0,0|1,0,1]=4 157 B6R0.8 CCC(C)(Br)CC F20158 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.9 CCC(OC)OC D87756 [1,1,0,0,0,0|0,0,2]=4 159 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,2,0,0,0,0|0,0,0]=2 160 B8R0.5 CC(C)OC(=O)OCI D73860 [0,2,0,0,0,0|1,0,0]=3 161 B8R0.5 CCCC(=O)CC(C)C T72726 [0,2,0,0,0,0|1,0,0]=3 162 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,2,0,0,0,0|0,0,0]=2 163 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,2,0,0,0,0|0,0,0]=2 164 B8R0.19 CC[C@H](N)CC(=O)OC F16995 [0,2,0,0,0,0|2,0,0]=4 165 B8R0.19 CC[C@H](O)CC(=O)OC C15994 [0,2,0,0,0,0|2,0,0]=4 166 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.24 COC(=O)CC(C)(C)N C77552 [0,2,0,0,0,0|2,0,0]=4 168 B8R0.1 CCNC(=O)NCCO AT23087 [0,2,0,0,0,0|1,0,0]=3 169 B8R0.1 CCOC(=O)NCCN AT13715 [0,2,0,0,0,0|0,0,0]=2 170 B8R0.1 CCOC(=O)\C=C\CN 86087 [0,2,0,0,0,0|0,0,1]=3 171 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,2,0,0,0,0|0,0,1]=3 172 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,2,0,0,0,0|0,0,0]=2 173 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,2,0,0,0,0|0,0,1]=3 174 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,2,0,0,0,0|2,0,0]=4 175 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,2,0,0,0,0|0,0,0]=2 176 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,2,0,0,0,0|0,0,0]=2 177 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,2,0,0,0,0|0,0,1]=3 178 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,2,0,0,0,0|0,0,0]=2 179 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,2,0,0,0,0|0,0,0]=2 180 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,2,0,0,0,0|0,0,1]=3 181 B8R0.3 COC[C@H](O)C(=O)OC AT24811 [0,2,0,0,0,0|2,0,0]=4 182 B8R0.6 CNC(=O)OCCCN AT13711 [0,2,0,0,0,0|1,0,0]=3 183 B8R0.6 COC(=O)NCCCN AT13710 [0,2,0,0,0,0|2,0,0]=4 184 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,2,0,0,0,0|0,0,1]=3 185 B8R0.8 CC(C)C(=O)CCC#N F51230 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,2,0,0,0,0|1,0,0]=3 187 B8R0.8 CN(C)C(=O)NCCO AT23088 [0,2,0,0,0,0|2,0,0]=4 188 B8R0.9 CC(C)CNC(=O)CN F21149 [0,2,0,0,0,0|2,0,0]=4 189 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,2,0,0,0,0|2,0,0]=4 190 B8R0.9 NCC(=O)NCC(F)F C13780 [0,2,0,0,0,0|2,0,0]=4 191 B8R0.14 C=C(OCC)[Sn](C)(C)C 20819 [0,2,0,0,0,0|2,0,0]=4 192 B8R0.14 CC(C)(C)C(=O)NCO 81302 [0,2,0,0,0,0|2,0,0]=4 193 B8R0.14 CCCC(=O)C(F)(F)F O10330 [0,2,0,0,0,0|2,0,0]=4 194 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,2,0,0,0,0|2,0,0]=4 195 B8R0.14 [2H]C([2H])([2H])C(=O)OCC D97996 [0,2,0,0,0,0|1,0,0]=3 196 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,2,0,0,0,0|0,0,1]=3 197 B6R1.2 O=C1CCON1 A11072 [1,0,0,1,0,0|2,0,0]=4 198 B6R1.2 O=C1CNCN1 C15062 [1,0,0,1,0,0|2,0,0]=4 199 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 200 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|2,0,0]=4 201 B6R1.1 C1=COCCO1 T71041 [1,0,0,1,0,0|1,0,1]=4 202 B6R1.1 C1CCNCC1 S11730 [1,0,0,1,0,0|1,0,1]=4 203 B6R1.1 C1CCONC1 P10408 [1,0,0,1,0,0|1,0,0]=3 204 B6R1.1 C1CNCOC1 C72764 [1,0,0,1,0,0|1,0,1]=4 205 B6R1.4 CC1OCC1N P20429 [1,0,0,1,0,0|1,0,1]=4 206 B6R1.6 ClC[C@H]1CCO1 32069 [1,0,0,1,0,0|1,0,1]=4 207 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,1,0,1,0,0|1,0,0]=3 210 B8R1.1 CC[C@H]1COC(=O)N1 W10319 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|2,0,0]=4 212 B8R1.1 NC[C@H]1CNC(=O)O1 P12528 [0,1,0,1,0,0|1,0,0]=3 213 B8R1.1 NC[C@H]1COC(=O)N1 P15383 [0,1,0,1,0,0|2,0,0]=4 214 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,1,0,0|0,0,2]=4 215 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,1,0,1,0,0|0,0,0]=2 216 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,1,0,1,0,0|1,0,0]=3 217 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|1,0,0]=3 218 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,1,0,0|2,0,0]=4 219 B8R1.4 CC1CCOS(=O)O1 A12529 [0,1,0,1,0,0|1,0,0]=3 220 B8R1.4 CC1CNC[C@H](C)O1 F18928 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,1,0,0|2,0,0]=4 222 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,1,0,0|1,0,0]=3 223 B8R1.4 C[C@@H]1C[C@@H](N)CCO1 D79034 [0,1,0,1,0,0|1,0,1]=4 224 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|1,0,0]=3 225 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,1,0,0|1,0,0]=3 227 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,1,0,0|1,0,0]=3 228 B8R1.4 C[C@H]1CNC[C@@H](C)O1 F18871 [0,1,0,1,0,0|1,0,1]=4 229 B8R1.4 C[C@H]1CNC[C@H](C)O1 F18885 [0,1,0,1,0,0|1,0,1]=4 230 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,1,0,0|2,0,0]=4 231 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,1,0,0|1,0,1]=4 232 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,1,0,0|1,0,0]=3 233 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,1,0,0|1,0,0]=3 234 B8R1.18 CC1=C(C)OC(=O)N1 AT18454 [0,1,0,1,0,0|0,0,2]=4 235 B8R1.18 CC1=NC(C)C(C)S1 A10763 [0,1,0,1,0,0|1,1,0]=4 236 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|0,0,0]=2 237 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|1,0,0]=3 238 B8R1.18 CC1NC(=O)CC1O 94943 [0,1,0,1,0,0|1,0,0]=3 239 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,1,0,1,0,0|2,0,0]=4 240 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,1,0,1,0,0|2,0,0]=4 241 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,1,0,1,0,0|1,0,1]=4 242 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,1,0,1,0,0|1,0,1]=4 243 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,1,0,1,0,0|1,0,1]=4 244 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|2,0,0]=4 245 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,1,0,1,0,0|2,0,0]=4 246 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,1,0,1,0,0|2,0,0]=4 247 B8R1.2 CC[C@H]1CNCCO1 D75750 [0,1,0,1,0,0|1,0,1]=4 248 B8R1.2 CC[C@H]1COCCN1 F19074 [0,1,0,1,0,0|1,0,1]=4 249 B8R1.2 OCC1=CCCCO1 S11090 [0,1,0,1,0,0|0,0,2]=4 250 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,1,0,0|1,0,1]=4 251 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,1,0,0|1,0,0]=3 252 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,1,0,0|1,0,0]=3 253 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,1,0,0|1,0,0]=3 254 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,1,0,0|1,0,0]=3 255 B8R1.3 O=C1COC(=O)CN1 P10244 [0,1,0,1,0,0|1,0,1]=4 256 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,1,0,0|1,0,1]=4 257 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,1,0,0|1,0,0]=3 258 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,1,0,0|1,1,0]=4 259 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,1,0,0|1,0,0]=3 260 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,1,0,0|0,0,0]=2 261 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,1,0,0|1,0,0]=3 262 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,1,0,0|1,0,1]=4 263 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,1,0,0|2,0,0]=4 264 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,1,0,0|2,0,0]=4 265 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,1,0,0|2,0,0]=4 266 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,1,0,0|0,0,2]=4 267 B8R1.38 CCC(=O)C1CCC1 F53463 [0,1,0,1,0,0|1,0,0]=3 268 B8R1.38 COC(=O)[C@@H]1CCN1 P19136 [0,1,0,1,0,0|2,0,0]=4 269 B8R1.38 NCC(=O)N1CCC1 C77774 [0,1,0,1,0,0|2,0,0]=4 270 B8R1.50 CC1C(=O)NCC1O 94942 [0,1,0,1,0,0|1,0,0]=3 271 B8R1.50 CC1CCC(C)C1=O F12414 [0,1,0,1,0,0|1,0,0]=3 272 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,1,0,1,0,0|2,0,0]=4 273 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,1,0,1,0,0|2,0,0]=4 274 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,1,0,1,0,0|2,0,0]=4 275 B8R1.7 CC(N)C1CCCO1 D75138 [0,1,0,1,0,0|1,0,1]=4 276 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,1,0,1,0,0|1,0,1]=4 279 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.19 C[C@H]1CCOS1(=O)=O D76949 [0,1,0,1,0,0|1,0,0]=3 281 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,1,0,1,0,0|0,0,0]=2 283 B8R1.6 CCC=C1CC(O)C1 AT14798 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.8 CCCC1=NCCO1 T72500 [0,1,0,1,0,0|1,0,0]=3 285 B8R1.8 NCC[C@H]1CCCO1 AT11471 [0,1,0,1,0,0|1,0,1]=4 286 B8R1.8 OCC[C@H]1CCCO1 56770 [0,1,0,1,0,0|1,0,1]=4 287 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,1,0,1,0,0|1,0,0]=3 288 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,1,0,1,0,0|1,0,0]=3 289 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,1,0,0|2,0,0]=4 290 B8R1.82 CCOC1(CO)CC1 92152 [0,1,0,1,0,0|0,0,2]=4 291 B8R2.34 C1CC2CCC1O2 T72216 [0,0,0,2,0,0|1,0,1]=4 292 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|1,0,0]=3 293 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|1,0,0]=3 294 B8R2.2 CC12CCCC1O2 AT16552 [0,0,0,2,0,0|1,0,1]=4 295 B8R2.2 C[C@]12CCCC1O2 F50046 [0,0,0,2,0,0|1,0,1]=4