0 B7R0.5 CC(C)C(=O)NCO 81303 [0,0,0,0,0,0|3,0,0]=3 1 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,0,0,0,0,0|2,1,1]=4 2 B7R0.5 CCOC(=N)C(C)C W12825 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CN(C)C(=O)CCCl F53638 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.5 CN(C)C(=O)CCN P17578 [0,0,0,0,0,0|4,0,0]=4 5 B7R0.5 CN(C)C(=O)OCCl C77477 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.1 CCC(=O)N=C=S AT25941 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCNC(=O)OC C16084 [1,0,0,0,0,0|2,0,0]=3 8 B6R0.1 CCOC(=N)CCl AC8745 [1,0,0,0,0,0|2,0,0]=3 9 B6R0.1 CCOC(=S)SC AC9840 [1,0,0,0,0,0|1,1,0]=3 10 B6R0.1 COCC(=O)CCl D85993 [1,0,0,0,0,0|3,0,0]=4 11 B6R0.1 COCC(=O)OC F53343 [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 CONC(=O)CCl AT14830 [1,0,0,0,0,0|3,0,0]=4 13 B6R0.3 C=CC(=O)C(C)C C77506 [1,0,0,0,0,0|1,0,2]=4 14 B6R0.3 CCC(=O)C(N)=S 94003 [1,0,0,0,0,0|1,0,2]=4 15 B6R0.3 CCC(C)C(C)N 78513 [1,0,0,0,0,0|2,0,1]=4 16 B6R0.3 CCC(N)C(C)O N14662 [1,0,0,0,0,0|1,1,1]=4 17 B6R0.3 CC[C@H](N)C(C)C 74049 [1,0,0,0,0,0|2,0,1]=4 18 B6R0.3 CN(C)C(=O)CS AT25548 [1,0,0,0,0,0|3,0,0]=4 19 B6R0.3 C[C@H](N)C(=O)NO AT14787 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 C[C@H](N)C(=O)NO AT14821 [1,0,0,0,0,0|3,0,0]=4 21 B6R0.4 CCNC[C@H](C)O 91070 [1,0,0,0,0,0|1,1,1]=4 22 B6R0.4 CCONC(C)=O AT24904 [1,0,0,0,0,0|1,1,1]=4 23 B8R0.3 C#C[C@@H](O)C(=O)OCC T71981 [0,1,0,0,0,0|0,1,1]=3 24 B8R0.3 C=C(CC)C(=O)OCC 97591 [0,1,0,0,0,0|1,0,1]=3 25 B8R0.3 C=C(CCl)C(=O)OCC T70430 [0,1,0,0,0,0|1,0,1]=3 26 B8R0.3 CCOC(=O)[C@@H](C)CN A10614 [0,1,0,0,0,0|1,0,0]=2 27 B8R0.3 CCOC(=O)[C@@H](C)CO AB7220 [0,1,0,0,0,0|0,1,0]=2 28 B8R0.3 CCOC(=O)[C@@H](Cl)C=N L10141 [0,1,0,0,0,0|1,0,1]=3 29 B8R0.3 CCOC(=O)[C@H](C)NC D87311 [0,1,0,0,0,0|1,0,0]=2 30 B8R0.3 CCOC(=O)[C@H](C)OC 90999 [0,1,0,0,0,0|0,1,0]=2 31 B8R0.3 CCOC(=O)\C(Cl)=N\C AC2255 [0,1,0,0,0,0|1,0,1]=3 32 B8R0.8 C=C(C)C(=O)OCCBr T70933 [0,1,0,0,0,0|1,0,1]=3 33 B8R0.8 CC(C)C(=O)CCC#N F51230 [0,1,0,0,0,0|2,0,1]=4 34 B8R0.8 CCCCC(=O)[C@H](C)N D78735 [0,1,0,0,0,0|2,0,0]=3 35 B8R0.8 CN(C)C(=O)NCCO AT23088 [0,1,0,0,0,0|3,0,0]=4 36 B8R0.14 C=C(OCC)[Sn](C)(C)C 20819 [0,1,0,0,0,0|3,0,0]=4 37 B8R0.14 CC(C)(C)C(=O)NCO 81302 [0,1,0,0,0,0|3,0,0]=4 38 B8R0.14 CCCC(=O)C(F)(F)F O10330 [0,1,0,0,0,0|3,0,0]=4 39 B8R0.14 CNCC(=O)C(C)(C)C F50925 [0,1,0,0,0,0|3,0,0]=4 40 B8R0.14 [2H]C([2H])([2H])C(=O)OCC D97996 [0,1,0,0,0,0|2,0,0]=3 41 B8R0.23 CC(C)CC(=O)C(C)C T70480 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.5 C=C1CCCNC1=O D80229 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.5 CC1NCCSC1C AT25273 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.5 CN1CCCCC1=O C16744 [0,0,0,1,0,0|3,0,0]=4 45 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,0,0,1,0,0|3,0,0]=4 46 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,0,0,1,0,0|3,0,0]=4 47 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,0,0,1,0,0|2,0,0]=3 48 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,0,0,1,0,0|3,0,0]=4 49 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,0,0,1,0,0|3,0,0]=4 51 B8R1.5 O=C1OCCC=C1Br AC2797 [0,0,0,1,0,0|1,0,2]=4 52 B8R1.7 CC(N)C1CCCO1 D75138 [0,0,0,1,0,0|2,0,1]=4 53 B8R1.7 C[C@H](N)C1CCCO1 79855 [0,0,0,1,0,0|2,0,1]=4 54 B8R1.7 C[C@H](N)C1CCCO1 79856 [0,0,0,1,0,0|2,0,1]=4 55 B8R1.7 C[C@H](N)C1CCCO1 79857 [0,0,0,1,0,0|2,0,1]=4 56 B8R1.7 C[C@H](N)C1CCCO1 79858 [0,0,0,1,0,0|2,0,1]=4 57 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,0,0,1,0,0|2,0,1]=4 58 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,0,0,1,0,0|3,0,0]=4 61 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,0,0,1,0,0|3,0,0]=4 62 B8R1.37 CCOC(=O)[C@@H]1CO1 A10023 [0,0,0,1,0,0|0,1,0]=2 63 B8R0.5 CC(C)OC(=O)CCS FD10479 [0,0,0,0,0,1|3,0,0]=4 64 B8R0.5 CC(C)OC(=O)OCI D73860 [0,0,0,0,0,1|2,0,0]=3 65 B8R0.5 CCCC(=O)CC(C)C T72726 [0,0,0,0,0,1|2,0,0]=3 66 B8R0.5 CCOC(=O)C[C@H](C)N H11544 [0,0,0,0,0,1|1,0,0]=2 67 B8R0.5 CCOC(=O)C[S+](C)C AT26589 [0,0,0,0,0,1|2,0,0]=3 68 B5R0.1 C=C(C)CCC D91296 [2,0,0,0,0,0|2,0,0]=4 69 B5R0.1 CC#CC(C)=O AC8567 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.1 CC(=O)CCBr D82681 [2,0,0,0,0,0|2,0,0]=4 71 B5R0.1 CCC[C@H](C)N N10856 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 CCC[C@H](C)N N15476 [2,0,0,0,0,0|1,0,1]=4 73 B5R0.1 CNCC(C)=O 72642 [2,0,0,0,0,0|2,0,0]=4 74 B5R0.1 CONC(C)=O AT24901 [2,0,0,0,0,0|2,0,0]=4 75 B5R0.1 CONC(C)C AT24926 [2,0,0,0,0,0|2,0,0]=4 76 B5R0.1 C\C=C/C(C)C T72834 [2,0,0,0,0,0|1,0,1]=4 77 B5R0.1 [2H]C(=O)OCC D98566 [2,0,0,0,0,0|1,0,0]=3 78 B5R0.3 C=C(CC)CBr C77504 [2,0,0,0,0,0|2,0,0]=4 79 B5R0.3 C=C(CC)CC D90428 [2,0,0,0,0,0|1,0,0]=3 80 B5R0.3 CCC(=O)CCl AT22640 [2,0,0,0,0,0|1,0,0]=3 81 B5R0.3 CCP(Cl)CC A12755 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.3 COC(=N)CCl H10399 [2,0,0,0,0,0|2,0,0]=4 83 B5R0.3 [2H]N(CC)CC D98468 [2,0,0,0,0,0|2,0,0]=4 84 B5R0.5 CC(=O)[C@H](C)N 91522 [2,0,0,0,0,0|1,0,0]=3 85 B5R0.5 CC(C)C(=O)O A11457 [2,0,0,0,0,0|1,0,0]=3 86 B5R0.5 CC(C)[13C](=O)[O-] D99296 [2,0,0,0,0,0|1,0,1]=4 87 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [2,0,0,0,0,0|2,0,0]=4 88 B5R0.5 C[C@H](F)C(=O)O 36890 [2,0,0,0,0,0|1,0,0]=3 89 B5R0.5 C[C@H](N)C(N)=O FD21067 [2,0,0,0,0,0|2,0,0]=4 90 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [2,0,0,0,0,0|1,0,0]=3 91 B5R0.5 [2H]N(C)C(C)=O D99692 [2,0,0,0,0,0|2,0,0]=4 92 B7R0.2 CC(C)CC(=O)CN F50535 [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 COC(=O)C[C@H](C)N N13255 [1,1,0,0,0,0|2,0,0]=4 94 B7R0.3 CCC(=O)OCOC D72002 [1,1,0,0,0,0|0,0,0]=2 95 B7R0.3 CCCNC(=O)CN C78397 [1,1,0,0,0,0|2,0,0]=4 96 B7R0.3 CCONC(=O)CN AT14835 [1,1,0,0,0,0|1,0,0]=3 97 B7R0.3 CNC(=O)NCCO AT23083 [1,1,0,0,0,0|2,0,0]=4 98 B7R0.3 CNC(=O)OCCO AT13707 [1,1,0,0,0,0|1,0,0]=3 99 B7R0.3 CNOCC(=O)OC AT14517 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 COC(=O)CCCN 32601 [1,1,0,0,0,0|2,0,0]=4 101 B7R0.3 COC(=O)NCCN AT13709 [1,1,0,0,0,0|2,0,0]=4 102 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [1,1,0,0,0,0|1,0,1]=4 103 B7R0.7 CCOC(=O)CCN F19878 [1,1,0,0,0,0|0,0,0]=2 104 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [1,1,0,0,0,0|0,0,2]=4 105 B7R0.7 CCSC(=O)OCI C77591 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.7 O=C(CCBr)CCBr 52047 [1,1,0,0,0,0|2,0,0]=4 107 B7R0.10 C=C(CC)C(=O)OC 82635 [1,1,0,0,0,0|2,0,0]=4 108 B7R0.11 CCOC(C)(C)CC D78478 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.14 [2H]C([2H])(Br)C(=O)OC D97884 [1,1,0,0,0,0|2,0,0]=4 110 B7R0.14 [2H]C([2H])([2H])C(=O)OC D99299 [1,1,0,0,0,0|2,0,0]=4 111 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [1,1,0,0,0,0|0,1,1]=4 112 B7R0.6 CC(C)OC[C@H](C)O T72421 [1,1,0,0,0,0|0,1,1]=4 113 B7R0.8 CC\C=C/C(C)(C)C T71234 [1,1,0,0,0,0|2,0,0]=4 114 B9R0.4 CCOCC(=O)OC(C)C 94622 [0,1,0,0,0,1|1,0,0]=3 115 B9R0.6 C=C(C)C(=O)C(=O)OCC 90758 [0,1,0,0,0,1|1,0,1]=4 116 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O 93013 [0,1,0,0,0,1|0,1,1]=4 117 B9R0.6 CCOC(=O)\C(C)=C(\C)N 96849 [0,1,0,0,0,1|1,0,1]=4 118 B9R0.34 C=C[C@@H](O)CC(=O)OCC AC6052 [0,1,0,0,0,1|0,1,1]=4 119 B9R0.34 CCOC(=O)C[C@H](O)CBr 11423 [0,1,0,0,0,1|0,1,0]=3 120 B9R0.34 CCOC(=O)C[C@H](O)CI CS2877 [0,1,0,0,0,1|0,1,0]=3 121 B9R0.34 CCOC(=O)\C=C(/C)CBr H10647 [0,1,0,0,0,1|1,0,1]=4 122 B9R0.44 CCOC(=O)NC(C)(C)C AC9360 [0,1,0,0,0,1|1,0,0]=3 123 B9R0.19 CCOC(=O)C(F)(F)CO C15704 [0,2,0,0,0,0|1,0,0]=3 124 B9R0.19 CCOC(=O)[C@@](C)(N)CC D78556 [0,2,0,0,0,0|1,0,0]=3 125 B9R0.37 CCOC(=O)[C@@H](CC)CN 97590 [0,2,0,0,0,0|1,0,0]=3 126 B9R0.37 CCOC(=O)\C(CBr)=N/O 88092 [0,2,0,0,0,0|0,1,1]=4 127 B9R0.3 CC(F)(F)C(=O)NCCO 86672 [0,2,0,0,0,0|2,0,0]=4 128 B9R0.7 CC(C)COC(=O)[C@H](C)N F52315 [0,2,0,0,0,0|1,0,0]=3 129 B9R0.7 CC(C)COC(=O)[C@H](C)N F52321 [0,2,0,0,0,0|1,0,0]=3 130 B9R0.47 CCCCOC(=O)C(O)O F17058 [0,2,0,0,0,0|1,1,0]=4 131 B9R0.47 CCCCOC(=O)[C@H](C)N F52316 [0,2,0,0,0,0|1,0,0]=3 132 B9R0.33 CCO[C@H](C(=O)O)C(C)C AC6941 [0,2,0,0,0,0|1,0,1]=4 133 B9R0.57 CC(C)(C)OC(=O)C(Cl)Cl AC6224 [0,2,0,0,0,0|2,0,0]=4 134 B9R0.57 C[C@H](O)C(=O)OC(C)(C)C AT12813 [0,2,0,0,0,0|0,1,0]=3 135 B7R1.2 CN1CCC(=O)C1 64219 [1,0,0,1,0,0|2,0,0]=4 136 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [1,0,0,1,0,0|2,0,0]=4 137 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [1,0,0,1,0,0|2,0,0]=4 138 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [1,0,0,1,0,0|1,0,0]=3 139 B7R1.2 C[C@H]1COC(=O)N1 C77658 [1,0,0,1,0,0|2,0,0]=4 140 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [1,0,0,1,0,0|2,0,0]=4 141 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [1,0,0,1,0,0|2,0,0]=4 142 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 O=C1CC[C@H](F)C1 P11910 [1,0,0,1,0,0|2,0,0]=4 144 B7R1.3 ClC1=CCCCC1 FD10699 [1,0,0,1,0,0|2,0,0]=4 145 B7R1.3 S=C1CCCCC1 N16924 [1,0,0,1,0,0|1,1,0]=4 146 B7R1.4 C[C@H]1CCNC1=O C74322 [1,0,0,1,0,0|1,0,0]=3 147 B7R1.4 C[C@H]1CNCC1=O F13737 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.4 C[C@H]1COCC1=O AT13358 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.4 N[C@H]1CCOC1=O S11138 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.21 CCOC1(Br)CC1 F53374 [1,0,0,1,0,0|1,0,1]=4 151 B7R1.21 CCOC1(N)CC1 AT19095 [1,0,0,1,0,0|1,0,1]=4 152 B7R1.22 CCC(=O)C1CC1 P11281 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.22 NCC(=O)C1CC1 C77542 [1,0,0,1,0,0|2,0,0]=4 154 B7R1.14 C[C@]1(N)CCOC1 AT12753 [1,0,0,1,0,0|1,0,1]=4 155 B9R1.34 CC1CC(=O)CC(C)N1 F12422 [0,0,0,1,0,1|2,0,0]=4 156 B9R1.34 CC1CC(=O)CC(C)S1 89934 [0,0,0,1,0,1|1,0,0]=3 157 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)N1 S11085 [0,0,0,1,0,1|2,0,0]=4 158 B9R1.34 C[C@H]1CC(=O)C[C@H](C)O1 P14538 [0,0,0,1,0,1|1,1,0]=4 159 B9R1.41 CC(C)[C@@H]1CCNC1=O D72753 [0,0,0,1,0,1|2,0,0]=4 160 B9R1.3 CN1CCC[C@H](N)C1=O P11331 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.3 C[C@@H]1NCCN(C)C1=O C14663 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.3 C[C@@H]1NCCN(C)C1=O F53792 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.3 C[C@@H]1NCCN(C)C1=O F53796 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.37 CC1=C(O)[C@H](C)OC1=O 91383 [0,1,0,1,0,0|0,1,1]=4 165 B9R1.101 C[C@H](C#N)C(=O)C1CC1 84150 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.138 CN1CCC(C)(C)C1=O F18102 [0,1,0,1,0,0|2,0,0]=4 167 B9R1.5 C[C@@H]1OCCCNC1=O 73063 [0,1,0,1,0,0|1,1,0]=4 168 B9R1.5 N[C@H]1CSCCNC1=O C16734 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.5 O=C1CCCCC[C@@H]1Br AT20921 [0,1,0,1,0,0|2,0,0]=4 170 B9R1.5 O=C1CCCCC[C@@H]1Cl T71318 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.5 O=C1CCNCC[C@@H]1Br C90706 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.5 O=C1NCCCC[C@@H]1Br F50955 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.15 O=C1CCCC[C@@H]1CO F18113 [0,1,0,1,0,0|1,1,0]=4 174 B9R1.15 O=C[C@@H]1CCCCC1=O AT23975 [0,1,0,1,0,0|1,1,0]=4 175 B9R1.69 C[C@@H]1SCC(=O)NC1=O AT25440 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.73 CCOC(=O)C1CSC1 F18444 [0,1,0,1,0,0|0,0,0]=2 177 B9R1.73 CCOC(=O)[C@@H]1CCN1 C16350 [0,1,0,1,0,0|1,0,0]=3 178 B9R1.73 CCOC(=O)[C@@H]1CCN1 D87602 [0,1,0,1,0,0|1,0,0]=3 179 B9R1.74 CCOC(=O)C1(Cl)CC1 96432 [0,1,0,1,0,0|1,0,0]=3 180 B9R1.202 C[C@]1(CO)CCNC1=O AT19085 [0,1,0,1,0,0|1,1,0]=4 181 B9R1.23 CN1C[C@H](CBr)OC1=O W13271 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.23 CN1C[C@H](CBr)OC1=O W13272 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.106 CC1(C)C(=O)NC[C@@H]1N P14864 [0,1,0,1,0,0|2,0,0]=4 184 B9R1.109 CCOS(=O)(=O)C1CC1 S11650 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.153 CC1(C)NC(=O)C1(C)C AT19039 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.102 CC(C)(C)C(=O)C1CC1 F30713 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.36 C[C@H]1CC(C)(C)NC1=O AT26047 [0,1,0,1,0,0|2,0,0]=4 188 B9R2.39 O=C1OC2CCC1C2 P17974 [0,0,0,2,0,0|1,0,0]=3 189 B9R2.5 O=C1OCCC12CC2 33775 [0,0,0,2,0,0|1,0,0]=3 190 B9R0.48 CCOC(=O)\C=C\C(C)C W15771 [0,0,0,0,0,2|1,0,0]=3 191 B9R0.48 CCOC(=O)\C=C\C(F)F 72388 [0,0,0,0,0,2|2,0,0]=4