0 B6R0.4 C=C\C=C/C(=O)O C74528 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.4 C=C\C=C\C(=O)O 35918 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.4 CC(C)CCNN AC3937 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 CC(C)OCCS AT13760 [0,0,0,0,0,0|1,1,2]=4 4 B5R0.1 C=CCC(=C)C T72918 [1,0,0,0,0,0|0,0,3]=4 5 B5R0.1 C=CC[C@H](C)N AT12969 [1,0,0,0,0,0|1,0,1]=3 6 B5R0.1 CC(C)CNN AR2531 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.1 CC(C)\C=N\O D77551 [1,0,0,0,0,0|1,0,1]=3 8 B5R0.1 CONC(C)C AT24926 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 C\C=C/C(C)C T72834 [1,0,0,0,0,0|0,0,1]=2 10 B5R0.2 CO\C=C\C#N F16426 [1,0,0,0,0,0|2,0,1]=4 11 B5R0.2 C\C=C\CCN AT22492 [1,0,0,0,0,0|2,0,1]=4 12 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,1,0,0,0,0|1,0,1]=3 13 B7R0.2 CC(C)CC(=O)CN F50535 [0,1,0,0,0,0|1,0,2]=4 14 B7R0.2 CN(C)\C=C(/Br)C=O AT21684 [0,1,0,0,0,0|1,0,0]=2 15 B7R0.2 C\C(C=O)=C\N(C)C F13117 [0,1,0,0,0,0|1,0,0]=2 16 B7R0.3 COC(=O)\C=C\C=O D90666 [0,1,0,0,0,0|1,0,1]=3 17 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,1,0,0,0,0|1,0,1]=3 18 B7R0.5 CC(C)C(=O)NCO 81303 [0,1,0,0,0,0|1,0,2]=4 19 B7R0.5 CCOC(=N)C(C)C W12825 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.6 CC(=O)NN=C(C)C C12737 [0,1,0,0,0,0|2,0,1]=4 21 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 72146 [0,1,0,0,0,0|1,0,0]=2 22 B7R0.6 CN(C)\C=C\[N+](=O)[O-] 29758 [0,1,0,0,0,0|2,0,0]=3 23 B7R0.6 C[S+](C)CCC(=O)[O-] F16477 [0,1,0,0,0,0|1,0,2]=4 24 B7R0.8 CC(C)(C)ON=S=O AT22862 [0,1,0,0,0,0|3,0,0]=4 25 B7R0.8 CC\C=C/C(C)(C)C T71234 [0,1,0,0,0,0|1,0,1]=3 26 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,0,0,1,0,0|1,1,1]=4 27 B7R1.2 CN1C=CC(N)=C1 77871 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,0,0,1,0,0|3,0,0]=4 29 B7R1.2 CN1CCC(=O)C1 64219 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,0,0,1,0,0|1,0,1]=3 31 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,0,0,1,0,0|1,0,1]=3 32 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,0,0,1,0,0|2,0,1]=4 34 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,0,0,1,0,0|2,0,1]=4 35 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,0,0,1,0,0|2,0,1]=4 36 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,0,0,1,0,0|1,0,2]=4 37 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,0,0,1,0,0|1,0,0]=2 38 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,0,0,1,0,0|1,0,2]=4 39 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,0,0,1,0,0|2,0,1]=4 40 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,1,0,0|2,0,1]=4 42 B4R0.1 C=C=C(C)C T72680 [2,0,0,0,0,0|0,0,2]=4 43 B4R0.1 CC(C)CN T72053 [2,0,0,0,0,0|1,0,1]=4 44 B4R0.1 [2H]OC(C)C D98571 [2,0,0,0,0,0|2,0,0]=4 45 B4R0.2 C=C=CCC T72673 [2,0,0,0,0,0|0,0,1]=3 46 B4R0.2 C=CCCI C77576 [2,0,0,0,0,0|1,0,1]=4 47 B4R0.2 C=CCCN AT25938 [2,0,0,0,0,0|1,0,1]=4 48 B4R0.2 CC\C=C\Br F11593 [2,0,0,0,0,0|1,0,0]=3 49 B4R0.2 O=C\C=N/O F18478 [2,0,0,0,0,0|2,0,0]=4 50 B4R0.2 O=C\C=N\O F18186 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.1 C=CC[C@H](N)CO N11070 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.1 C=CC[C@H](N)CO N11385 [1,1,0,0,0,0|1,0,1]=4 53 B6R0.1 C=CC[C@H](N)CO N15485 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.1 C=CC[C@H](O)CN AT10905 [1,1,0,0,0,0|1,0,1]=4 55 B6R0.2 C\C(I)=C\C(=O)O W11497 [1,1,0,0,0,0|1,0,1]=4 56 B6R0.3 C=CC(=O)C(C)C C77506 [1,1,0,0,0,0|0,0,0]=2 57 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [1,1,0,0,0,0|1,0,1]=4 58 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [1,1,0,0,0,0|1,0,1]=4 59 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [1,1,0,0,0,0|0,0,1]=3 60 B6R0.3 CC(C)\C(Cl)=N\O D77552 [1,1,0,0,0,0|1,0,1]=4 61 B6R0.5 C=CCC(C)(C)N 68260 [1,1,0,0,0,0|0,0,1]=3 62 B6R0.5 C[Si](C)(C)\C=C\Br 12164 [1,1,0,0,0,0|1,1,0]=4 63 B6R0.6 CCO\C=C\C=O F18326 [1,1,0,0,0,0|0,0,0]=2 64 B6R0.6 C\C=C/CCCCl T71143 [1,1,0,0,0,0|1,0,1]=4 65 B6R0.6 O=CNCCCO AC9004 [1,1,0,0,0,0|1,0,1]=4 66 B6R0.6 O=C\C=C\C=C\[O-] 98104 [1,1,0,0,0,0|0,0,2]=4 67 B8R0.23 CC(C)C(=O)NC(N)=S D86343 [0,2,0,0,0,0|1,1,0]=4 68 B8R0.23 CC(C)O[C@@H](C)C(=O)O AT22894 [0,2,0,0,0,0|1,0,1]=4 69 B8R0.9 CC(C)CNC(=O)CN F21149 [0,2,0,0,0,0|1,0,1]=4 70 B8R0.9 COC(=O)\C=C\C(C)C AC9583 [0,2,0,0,0,0|0,0,0]=2 71 B8R0.11 COC(C#CC=O)OC AT19998 [0,2,0,0,0,0|0,0,2]=4 72 B8R0.11 COC(\C=C\C=O)OC T72438 [0,2,0,0,0,0|0,0,0]=2 73 B8R0.7 CCO\C=C\C=[N+](C)C F17982 [0,2,0,0,0,0|1,0,1]=4 74 B8R0.21 CC(C)(C)OCCC=O AT13970 [0,2,0,0,0,0|0,0,2]=4 75 B8R0.28 CC(C)CCOC(=O)Cl AC2336 [0,2,0,0,0,0|0,0,2]=4 76 B8R0.28 CC(C)C\C=C\C(=O)O 81164 [0,2,0,0,0,0|0,0,0]=2 77 B8R0.28 CC(C)C\C=C\C(N)=O 81121 [0,2,0,0,0,0|0,0,0]=2 78 B8R0.28 CN(C)C\C=C\C(N)=O D73436 [0,2,0,0,0,0|1,0,0]=3 79 B8R0.29 CC(=O)CSC(C)(C)C F17486 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.29 CC(C)(C)SCC(=O)O AT13960 [0,2,0,0,0,0|1,0,1]=4 81 B8R0.29 CC(C)(C)\C=C\B(O)O H10942 [0,2,0,0,0,0|1,0,1]=4 82 B6R1.3 O=C=NC1CC1 AC8066 [1,0,0,1,0,0|1,0,1]=4 83 B6R1.5 C[C@H]1CC(=O)N1 D72859 [1,0,0,1,0,0|1,0,0]=3 84 B6R1.5 NC1CC(=O)C1 D78737 [1,0,0,1,0,0|1,0,1]=4 85 B6R1.1 C1=COCCO1 T71041 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.1 CC1=CN=C(C=O)O1 AT17128 [0,1,0,1,0,0|1,0,1]=4 87 B8R1.1 CC1=NNC(C=O)=C1 79805 [0,1,0,1,0,0|1,0,1]=4 88 B8R1.1 CC1=NSC(C=O)=C1 C16590 [0,1,0,1,0,0|1,0,1]=4 89 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,1,0,1,0,0|1,0,1]=4 90 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,1,0,1,0,0|0,0,2]=4 91 B8R1.1 CN1C=C(C=O)N=N1 C77602 [0,1,0,1,0,0|2,0,0]=4 92 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,1,0,1,0,0|1,0,1]=4 93 B8R1.1 O=C1C=C[C@H](CO)O1 A51108 [0,1,0,1,0,0|1,0,0]=3 94 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,1,0,1,0,0|0,0,2]=4 95 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,1,0,1,0,0|1,0,1]=4 96 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,1,0,0|0,0,0]=2 97 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,1,0,0|0,0,2]=4 98 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,1,0,0|0,0,2]=4 99 B8R1.18 CC1=CC(=O)NN1C AT14000 [0,1,0,1,0,0|2,0,0]=4 100 B8R1.18 CC1CC(=O)OC1C AC8330 [0,1,0,1,0,0|1,0,1]=4 101 B8R1.18 CC1CC(=O)OC1O S10278 [0,1,0,1,0,0|1,0,1]=4 102 B8R1.18 C[C@@H]1NC(=O)NC1=O A12693 [0,1,0,1,0,0|2,0,0]=4 103 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21041 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.18 C[C@@H]1NC(=O)OC1=O FD21044 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.18 C[C@@H]1OC(=O)NC1=O D75118 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [0,1,0,1,0,0|2,0,0]=4 107 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,1,0,1,0,0|2,0,0]=4 109 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,1,0,1,0,0|2,0,0]=4 110 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,1,0,1,0,0|2,0,0]=4 111 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.2 CO[C@@H]1C=CCCC1 D91600 [0,1,0,1,0,0|1,0,1]=4 114 B8R1.2 NC[C@@H]1CC=CCC1 C78101 [0,1,0,1,0,0|1,0,1]=4 115 B8R1.2 NC[C@H]1CCC=CO1 P10036 [0,1,0,1,0,0|2,0,0]=4 116 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,1,0,0|1,0,1]=4 117 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,1,0,0|1,0,1]=4 118 B8R1.5 CC1=[N+](C)C=CC=C1 D87448 [0,1,0,1,0,0|1,0,1]=4 119 B8R1.5 C[C@H]1C=NC=CC1=S AT18149 [0,1,0,1,0,0|1,0,1]=4 120 B8R1.7 CC(C)C1=NN=CN1 AT12319 [0,1,0,1,0,0|2,0,0]=4 121 B8R1.7 C[C@H](N)C1=CC=CO1 74860 [0,1,0,1,0,0|1,0,1]=4 122 B8R1.7 C[C@H](N)C1=CC=CO1 F16901 [0,1,0,1,0,0|1,0,1]=4 123 B8R1.7 C[C@H](N)C1=CC=CO1 N12744 [0,1,0,1,0,0|1,0,1]=4 124 B8R1.7 C[C@H](N)C1=CN=CN1 D71963 [0,1,0,1,0,0|2,0,0]=4 125 B8R1.7 C[C@H](N)C1=CN=CS1 AT14771 [0,1,0,1,0,0|1,1,0]=4 126 B8R1.7 C[C@H](N)C1=CN=CS1 AT14772 [0,1,0,1,0,0|1,1,0]=4 127 B8R1.7 C[C@H](N)C1=COC=C1 AT17538 [0,1,0,1,0,0|1,0,1]=4 128 B8R1.7 C[C@H](N)C1=COC=C1 N16718 [0,1,0,1,0,0|1,0,1]=4 129 B8R1.7 C[C@H](N)C1=CSC=C1 27875 [0,1,0,1,0,0|1,1,0]=4 130 B8R1.7 C[C@H](N)C1=CSC=N1 AT12534 [0,1,0,1,0,0|2,0,0]=4 131 B8R1.7 C[C@H](N)C1=CSC=N1 N14692 [0,1,0,1,0,0|2,0,0]=4 132 B8R1.7 C[C@H](N)C1=CSC=N1 N14693 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 C[C@H](N)C1=NC=CN1 AT15627 [0,1,0,1,0,0|2,0,0]=4 134 B8R1.7 C[C@H](N)C1=NC=CN1 AT15630 [0,1,0,1,0,0|2,0,0]=4 135 B8R1.7 C[C@H](N)C1=NC=CN1 W10071 [0,1,0,1,0,0|2,0,0]=4 136 B8R1.7 C[C@H](N)C1=NC=CS1 AT14699 [0,1,0,1,0,0|1,1,0]=4 137 B8R1.7 C[C@H](N)C1=NNC=C1 32104 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,1,0,1,0,0|1,1,0]=4 139 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,1,0,1,0,0|1,1,0]=4 140 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,1,0,1,0,0|1,1,0]=4 141 B8R1.7 C[C@H](O)C1=CN=CS1 AT14775 [0,1,0,1,0,0|1,1,0]=4 142 B8R1.7 C[C@H](O)C1=CN=CS1 AT14778 [0,1,0,1,0,0|1,1,0]=4 143 B8R1.7 C[C@H](O)C1=CN=CS1 AT14782 [0,1,0,1,0,0|1,1,0]=4 144 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.7 C[C@H](O)C1=COC=N1 F13182 [0,1,0,1,0,0|2,0,0]=4 147 B8R1.7 C[C@H](O)C1=CSC=N1 AT14859 [0,1,0,1,0,0|2,0,0]=4 148 B8R1.7 C[C@H](O)C1=NC=CN1 AT15608 [0,1,0,1,0,0|2,0,0]=4 149 B8R1.7 C[C@H](O)C1=NC=CS1 AT14682 [0,1,0,1,0,0|1,1,0]=4 150 B8R1.7 C[C@H](O)C1=NC=CS1 AT14685 [0,1,0,1,0,0|1,1,0]=4 151 B8R1.7 C[C@H](O)C1=NNC=C1 AT15830 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.7 C[C@H](O)C1=NNC=C1 AT15831 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.7 C[C@H](O)C1=NNC=C1 AT15832 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.35 O=C(Cl)OCC1CC1 C77515 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.35 O=[N+]([O-])\C=C\C1CC1 W18598 [0,1,0,1,0,0|1,0,0]=3 156 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 37681 [0,1,0,1,0,0|0,0,2]=4 157 B8R1.24 CC1(C)C(=O)C[C@@H]1O AT20132 [0,1,0,1,0,0|0,0,2]=4 158 B8R2.34 C1=CC2CC1CN2 F13786 [0,0,0,2,0,0|1,0,1]=4 159 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83547 [0,0,0,2,0,0|1,0,1]=4 160 B8R2.34 C1=C[C@@H]2CN[C@H]1C2 83549 [0,0,0,2,0,0|1,0,1]=4 161 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,2,0,0|0,0,2]=4 162 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,2,0,0|1,0,1]=4