0 B7R0.5 CC(=O)[C@@H](C)CCBr AC2947 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.5 CC(C)C(=O)NCO 81303 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CCC[C@H](O)C(N)=O AC9726 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.5 CCOC(=N)C(C)C W12825 [0,0,0,0,0,0|2,0,1]=3 5 B7R0.5 CN(C)C(=O)CCCl F53638 [0,0,0,0,0,0|4,0,0]=4 6 B7R0.5 CN(C)C(=O)CCN P17578 [0,0,0,0,0,0|4,0,0]=4 7 B7R0.5 CN(C)C(=O)OCCl C77477 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(=N)CCl AC8745 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|1,1,0]=3 11 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.3 C=C(CC)C(=O)O 81925 [1,0,0,0,0,0|2,0,0]=3 13 B6R0.3 CCC(=O)C(N)=S 94003 [1,0,0,0,0,0|1,1,0]=3 14 B6R0.3 CC[C@H](S)C(=O)O F11548 [1,0,0,0,0,0|1,1,1]=4 15 B6R0.3 CN(C)C(=O)CS AT25548 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [1,0,0,0,0,0|2,0,1]=4 17 B6R0.4 CCNCC(=O)O T72729 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.4 CCONC(C)=O AT24904 [1,0,0,0,0,0|1,0,0]=2 19 B6R0.4 COCOC(C)=O D72003 [1,0,0,0,0,0|3,0,0]=4 20 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,1,0,0,0,0|0,0,3]=4 21 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|1,0,0]=2 22 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|1,0,0]=2 23 B8R0.3 CCC[C@H](N)C(=O)OC F20626 [0,1,0,0,0,0|2,0,1]=4 24 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|0,0,2]=3 26 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,1,0,0,0,0|1,0,2]=4 27 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|1,0,1]=3 28 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|0,0,2]=3 29 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.8 CC(=O)N(C)CCCN C78500 [0,1,0,0,0,0|3,0,0]=4 32 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,0,0,0,0|2,0,1]=4 33 B8R0.8 CCOC[C@H](N)C(=O)O AT12801 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.8 CN(C)C(=O)NCCO AT23088 [0,1,0,0,0,0|3,0,0]=4 35 B8R0.14 C=C(OCC)[Sn](C)(C)C 20819 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.14 [2H]C([2H])([2H])C(=O)OCC D97996 [0,1,0,0,0,0|2,0,1]=4 37 B8R0.15 CCO[C@@H](CC)C(=O)O AC6373 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,0,0|2,0,1]=4 39 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,1,0,0,0,0|2,0,1]=4 40 B8R1.5 C=C1CCCNC1=O D80229 [0,0,0,1,0,0|2,0,0]=3 41 B8R1.5 CN1CCCCC1=O C16744 [0,0,0,1,0,0|3,0,0]=4 42 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 O=C1CCCC=C1I 62778 [0,0,0,1,0,0|2,0,0]=3 44 B8R1.5 O=C1NCCNC1=O AT12017 [0,0,0,1,0,0|2,0,0]=3 45 B8R1.5 O=C1OCCC=C1Br AC2797 [0,0,0,1,0,0|1,0,1]=3 46 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.7 CC(=O)[C@@H]1CCCN1 F13089 [0,0,0,1,0,0|2,0,1]=4 49 B8R1.7 CC(=O)[C@@H]1CCCO1 74204 [0,0,0,1,0,0|1,0,1]=3 50 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|0,0,2]=3 52 B8R0.5 CC(C)OC(=O)OCI D73860 [0,0,0,0,0,1|2,0,1]=4 53 B8R0.5 CCCC(=O)CC(C)C T72726 [0,0,0,0,0,1|2,0,1]=4 54 B8R0.5 CCC[C@H](C)OC(C)=O 73904 [0,0,0,0,0,1|2,0,1]=4 55 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,0,0,0,0,1|1,0,1]=3 56 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,0,0,0,0,1|2,0,0]=3 57 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|1,0,1]=4 58 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|0,0,2]=4 59 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|1,0,1]=4 60 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|1,0,0]=3 62 B5R0.1 CONC(N)=O AT24902 [2,0,0,0,0,0|2,0,0]=4 63 B5R0.1 C\C(I)=C/CI AC6903 [2,0,0,0,0,0|2,0,0]=4 64 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|1,0,0]=3 65 B5R0.2 C\C=C\CCN AT22492 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.5 C=C(C)C(=O)[O-] F14145 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.5 CC(=O)[C@H](C)N 91522 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.5 CC(C)C(=O)O A11457 [2,0,0,0,0,0|1,0,1]=4 71 B5R0.5 C[C@H](F)C(=O)O 36890 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.5 [2H]N(C)C(C)=O D99692 [2,0,0,0,0,0|2,0,0]=4 74 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|2,0,0]=4 75 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|0,0,1]=3 76 B7R0.3 CCONC(=O)CN AT14835 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 78 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|1,0,0]=3 79 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 80 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|2,0,0]=4 81 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|2,0,0]=4 82 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [1,1,0,0,0,0|1,0,0]=3 83 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|0,0,1]=3 84 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,1,0,0,0,0|0,0,1]=3 85 B7R0.7 CCSC(=O)OCI C77591 [1,1,0,0,0,0|1,0,1]=4 86 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|2,0,0]=4 87 B7R0.11 CCOC(C)(C)C=O F20263 [1,1,0,0,0,0|1,0,1]=4 88 B7R0.13 COC(C)(C)C(C)=O S10204 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,1,0,0,0,0|0,0,0]=2 90 B7R0.4 CC(=O)NCCCN AR2174 [1,1,0,0,0,0|2,0,0]=4 91 B7R0.4 CC\C=C/CC(=O)O F18341 [1,1,0,0,0,0|2,0,0]=4 92 B7R0.4 CNCCNC(C)=O C77870 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.4 COC\C=C\C(=O)O P17072 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.4 O=C(Cl)COCCCl AT18762 [1,1,0,0,0,0|1,0,1]=4 95 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,1,0,0,0,1|1,0,1]=4 96 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,1,0,0,0,1|1,0,0]=3 97 B9R0.6 CCOC(=O)[C@@H](F)C(=O)O C91038 [0,1,0,0,0,1|1,0,0]=3 98 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,1,0,0,0,1|0,0,0]=2 99 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,1,0,0,0,1|1,0,0]=3 100 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,1,0,0,0,1|0,0,2]=4 101 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,1,0,0,0,1|0,0,2]=4 102 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,1,0,0,0,1|1,0,0]=3 103 B9R0.44 CCOC(=O)CS(N)(=O)=O AC6353 [0,1,0,0,0,1|2,0,0]=4 104 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,1,0,0,0,1|1,0,1]=4 105 B9R0.8 C=CCCC(=O)C(=O)OC D76611 [0,2,0,0,0,0|1,0,1]=4 106 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,2,0,0,0,0|1,0,1]=4 107 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,2,0,0,0,0|1,0,1]=4 108 B9R0.35 CCOC(=O)C(=O)C=[N+]=[N-] C90276 [0,2,0,0,0,0|0,0,1]=3 109 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,2,0,0,0,0|1,0,1]=4 110 B9R0.37 CCOC(=O)\C(C#N)=N\[O-] AC4559 [0,2,0,0,0,0|0,0,2]=4 111 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [0,2,0,0,0,0|0,0,1]=3 112 B9R0.7 CC(C)COC(=O)C(=O)Cl S11943 [0,2,0,0,0,0|1,0,0]=3 113 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [0,2,0,0,0,0|1,0,1]=4 114 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [0,2,0,0,0,0|1,0,1]=4 115 B9R0.47 CCCCCC(=O)C(=O)O A11260 [0,2,0,0,0,0|2,0,0]=4 116 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|1,0,1]=4 117 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C AT12813 [0,2,0,0,0,0|0,0,2]=4 118 B9R0.57 [2H]C([2H])([2H])OC(=O)C(=C)C D98956 [0,2,0,0,0,0|2,0,0]=4 119 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|1,0,0]=3 122 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 124 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,1]=4 125 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|1,0,1]=4 126 B7R1.4 O=C1CCCC1=O AC2232 [1,0,0,1,0,0|1,0,0]=3 127 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|1,0,1]=4 128 B7R1.19 CC(=O)C1(F)CC1 W10354 [1,0,0,1,0,0|1,0,1]=4 129 B7R1.20 CC(=O)CC1CC1 N12620 [1,0,0,1,0,0|1,0,1]=4 130 B9R1.13 CC(=O)C=C1CCCC1 F13249 [0,0,0,1,0,1|2,0,0]=4 131 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC5827 [0,0,0,1,0,1|2,0,0]=4 132 B9R1.22 CC[C@@H]1NC(=O)OC1=O AC7387 [0,0,0,1,0,1|2,0,0]=4 133 B9R1.34 CC1CC(=O)NC(=O)C1 D73894 [0,0,0,1,0,1|1,0,0]=3 134 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,0,0,1,0,1|1,0,1]=4 135 B9R1.41 CC(=O)N1C=COC1=O C16070 [0,0,0,1,0,1|0,0,2]=4 136 B9R1.41 CC(=O)[C@@H]1CCCC1=O F17111 [0,0,0,1,0,1|1,0,0]=3 137 B9R1.3 CN1C(=O)CCNC1=O D72759 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.3 O=C1CCCC(O)=C1F P17611 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,1,0,1,0,0|0,0,1]=3 140 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20207 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.37 C[C@@H]1NC(=O)N(C)C1=O AT20209 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.101 COC(=O)C(Cl)=C1CC1 C10172 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.33 CCOC1=C(C)C=CS1 91672 [0,1,0,1,0,0|1,1,0]=4 146 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|0,1,1]=4 147 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.6 CC(=O)[C@H]1CCCOC1 AT13308 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,1,0,1,0,0|2,0,0]=4 153 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,1,0,1,0,0|2,0,0]=4 154 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|1,0,1]=4 155 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|1,0,1]=4 156 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,0,0,0,0,2|1,0,1]=4