0 B5R0.3 C#C[C@@H](C)CC W11641 [0,0,0,0,0,0|1,0,3]=4 1 B5R0.3 C=C(CC)CBr C77504 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 C=C(CC)CC D90428 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.3 C=C(SC)SC T70983 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.3 CCC(=O)CCl AT22640 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.3 CCP(Cl)CC A12755 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CC[C@H](C)CBr D86395 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CC[C@H](C)CN 88661 [0,0,0,0,0,0|2,0,2]=4 8 B5R0.3 CC[C@H](C)CO 88660 [0,0,0,0,0,0|2,0,2]=4 9 B5R0.3 CC[C@H](C)NN AB8698 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.3 CC[C@H](C)ON AT14504 [0,0,0,0,0,0|3,0,1]=4 11 B5R0.3 CC[C@H](N)C#N AT12684 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.3 CC[C@H](N)C#N AT12685 [0,0,0,0,0,0|2,0,2]=4 13 B5R0.3 CC[C@H](N)C#N N14345 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.3 CNC(=O)NN A50867 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.3 COC(=N)CCl H10399 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.3 CSC(=N)NN H11081 [0,0,0,0,0,0|4,0,0]=4 17 B5R0.3 C\C(=C/I)CO E70219 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.3 O=C[C@@H](O)CO C15860 [0,0,0,0,0,0|2,0,2]=4 19 B5R0.3 O=C[C@@H](O)CO S10019 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 [2H]N(CC)CC D98468 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C=C(Br)C#N F17475 [1,0,0,0,0,0|2,0,1]=4 22 B4R0.1 C=C(Br)C=O AT26024 [1,0,0,0,0,0|2,0,1]=4 23 B4R0.1 C=C(Br)CN 94099 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 C=C(Br)CN AC8267 [1,0,0,0,0,0|2,0,0]=3 25 B4R0.1 C=C(Cl)CI AT26028 [1,0,0,0,0,0|2,0,0]=3 26 B4R0.1 C=C=C(C)C T72680 [1,0,0,0,0,0|1,0,1]=3 27 B4R0.1 C=C[N+](=O)[O-] AT20025 [1,0,0,0,0,0|2,0,0]=3 28 B4R0.1 CC(=O)CN D87844 [1,0,0,0,0,0|1,0,1]=3 29 B4R0.1 CC[13C](=O)O D99417 [1,0,0,0,0,0|1,0,0]=2 30 B4R0.1 CC[C@H](C)N 90231 [1,0,0,0,0,0|1,0,2]=4 31 B4R0.1 CC[C@H](C)N N12286 [1,0,0,0,0,0|1,0,2]=4 32 B4R0.1 CC[C@H](C)N N12342 [1,0,0,0,0,0|1,0,2]=4 33 B4R0.1 N=C(N)CF AT24452 [1,0,0,0,0,0|3,0,0]=4 34 B4R0.1 NCC(N)=O FD21645 [1,0,0,0,0,0|2,0,0]=3 35 B4R0.1 [15NH2]CC(=O)O 41444 [1,0,0,0,0,0|2,0,0]=3 36 B4R0.1 [2H]C(=C)C#N D97999 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 [2H]C(=O)NC D99232 [1,0,0,0,0,0|2,0,0]=3 38 B4R0.1 [2H]C(=O)OC D99666 [1,0,0,0,0,0|2,0,0]=3 39 B4R0.1 [2H][C@H](Br)CC D99041 [1,0,0,0,0,0|2,0,1]=4 40 B4R0.2 C=C=CCC T72673 [1,0,0,0,0,0|0,0,1]=2 41 B4R0.2 C=CCCI C77576 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.2 C=CCCN AT25938 [1,0,0,0,0,0|1,0,1]=3 43 B4R0.2 CCNCC T70517 [1,0,0,0,0,0|1,0,2]=4 44 B4R0.2 CC\C=C\Br F11593 [1,0,0,0,0,0|1,0,0]=2 45 B4R0.2 O=C\C=N/O F18478 [1,0,0,0,0,0|3,0,0]=4 46 B4R0.2 O=C\C=N\O F18186 [1,0,0,0,0,0|3,0,0]=4 47 B4R0.2 [2H]OCCC D99167 [1,0,0,0,0,0|2,0,1]=4 48 B6R0.1 C=CCC(=O)NO C91025 [0,1,0,0,0,0|2,0,0]=3 49 B6R0.1 C=CC[C@H](N)CO N11070 [0,1,0,0,0,0|2,0,1]=4 50 B6R0.1 C=CC[C@H](N)CO N11385 [0,1,0,0,0,0|2,0,1]=4 51 B6R0.1 C=CC[C@H](N)CO N15485 [0,1,0,0,0,0|2,0,1]=4 52 B6R0.1 C=CC[C@H](O)CN AT10905 [0,1,0,0,0,0|1,0,2]=4 53 B6R0.1 C=C[C@@H](C)CCC T72328 [0,1,0,0,0,0|1,0,1]=3 54 B6R0.1 C=C[C@@H](O)CC#N F19703 [0,1,0,0,0,0|0,0,3]=4 55 B6R0.1 CCC(=O)N=C=S AT25941 [0,1,0,0,0,0|1,0,1]=3 56 B6R0.1 CCNC(=O)OC C16084 [0,1,0,0,0,0|1,0,1]=3 57 B6R0.1 CCOC(=N)CCl AC8745 [0,1,0,0,0,0|2,0,1]=4 58 B6R0.1 CCOC(=S)SC AC9840 [0,1,0,0,0,0|1,1,1]=4 59 B6R0.1 COCC(=O)CCl D85993 [0,1,0,0,0,0|1,0,1]=3 60 B6R0.1 COCC(=O)OC F53343 [0,1,0,0,0,0|1,0,1]=3 61 B6R0.1 CONC(=O)CCl AT14830 [0,1,0,0,0,0|2,0,1]=4 62 B6R0.1 C\C(=C\CO)CO C92111 [0,1,0,0,0,0|2,0,1]=4 63 B6R0.1 O=C(CCCl)NO AC8818 [0,1,0,0,0,0|2,0,0]=3 64 B6R0.3 C=C(CC)C(=O)O 81925 [0,1,0,0,0,0|2,0,0]=3 65 B6R0.3 C=CC(=O)C(C)C C77506 [0,1,0,0,0,0|0,0,0]=1 66 B6R0.3 C=C[C@H](C)[C@H](C)O D85605 [0,1,0,0,0,0|1,0,1]=3 67 B6R0.3 C=C[C@H](C)[C@H](C)O D85606 [0,1,0,0,0,0|1,0,1]=3 68 B6R0.3 CC(C)[C@H](Br)C=O AT22275 [0,1,0,0,0,0|2,0,1]=4 69 B6R0.3 CC(C)\C(Cl)=N\O D77552 [0,1,0,0,0,0|3,0,0]=4 70 B6R0.3 CCC(=O)C(N)=S 94003 [0,1,0,0,0,0|1,0,0]=2 71 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,0,0,0,0|1,1,1]=4 72 B6R0.3 CN(C)C(=O)CS AT25548 [0,1,0,0,0,0|2,0,1]=4 73 B6R0.3 C[C@H](N)C(=O)NO AT14787 [0,1,0,0,0,0|2,0,0]=3 74 B6R0.3 C[C@H](N)C(=O)NO AT14821 [0,1,0,0,0,0|2,0,0]=3 75 B6R0.3 C[C@H](O)\C(N)=N\O AT25222 [0,1,0,0,0,0|3,0,0]=4 76 B6R0.3 C\C=C(/Cl)C(=O)O A50964 [0,1,0,0,0,0|2,0,1]=4 77 B6R0.8 C=CC(C)(C)CO C77629 [0,1,0,0,0,0|2,0,1]=4 78 B6R0.8 C=CS(=O)(=O)NC AT20641 [0,1,0,0,0,0|2,0,0]=3 79 B6R0.8 C=C[C@@](C)(O)CN FD13138 [0,1,0,0,0,0|1,0,2]=4 80 B6R0.8 [2H]C([2H])(C=O)CC D98579 [0,1,0,0,0,0|2,0,1]=4 81 B6R0.9 CC[C@H](C#N)C=O 81909 [0,1,0,0,0,0|1,0,2]=4 82 B6R1.2 BrC1=CC=NS1 AT21099 [0,0,0,1,0,0|3,0,0]=4 83 B6R1.2 CC1=NSC=C1 AC6637 [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 ClC1=NSC=C1 F19768 [0,0,0,1,0,0|3,0,0]=4 85 B6R1.2 NC1=CC=CS1 44128 [0,0,0,1,0,0|2,0,1]=4 86 B6R1.2 NC1=CC=CS1 F10359 [0,0,0,1,0,0|2,0,1]=4 87 B6R1.2 NC1=CC=NS1 W16800 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.2 O=C1CCON1 A11072 [0,0,0,1,0,0|2,0,0]=3 89 B6R1.2 O=C1CNCN1 C15062 [0,0,0,1,0,0|2,0,1]=4 90 B3R0.1 CCCN T71779 [2,0,0,0,0,0|1,0,1]=4 91 B3R0.1 [2H]OC=O D99054 [2,0,0,0,0,0|2,0,0]=4 92 B3R0.1 [2H]OCC D99756 [2,0,0,0,0,0|2,0,0]=4 93 B3R0.2 CC(=N)N T70291 [2,0,0,0,0,0|2,0,0]=4 94 B3R0.2 CC(=O)O 41449 [2,0,0,0,0,0|1,0,0]=3 95 B3R0.2 CC(=O)[O-] D76174 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.2 CC(=O)[O-] F20820 [2,0,0,0,0,0|1,0,0]=3 97 B3R0.2 CC(=O)[O-] T72577 [2,0,0,0,0,0|1,0,0]=3 98 B3R0.2 CC([15NH2])=O 41452 [2,0,0,0,0,0|1,0,0]=3 99 B3R0.2 C[13C](=O)[O-] D99050 [2,0,0,0,0,0|1,0,0]=3 100 B3R0.2 C[S@@](N)=O A10759 [2,0,0,0,0,0|2,0,0]=4 101 B3R0.2 N[13C](N)=O 41441 [2,0,0,0,0,0|2,0,0]=4 102 B3R0.2 O=C([O-])[O-] H11985 [2,0,0,0,0,0|2,0,0]=4 103 B3R0.2 [2H]C(=O)O T73068 [2,0,0,0,0,0|2,0,0]=4 104 B3R0.2 [2H]C(=O)[O-] D97993 [2,0,0,0,0,0|2,0,0]=4 105 B3R0.2 [2H]C(N)=O D97871 [2,0,0,0,0,0|2,0,0]=4 106 B5R0.1 C=C(C)CCC D91296 [1,1,0,0,0,0|1,0,0]=3 107 B5R0.1 C=CCC(=C)C T72918 [1,1,0,0,0,0|1,0,0]=3 108 B5R0.1 C=CC[C@H](C)N AT12969 [1,1,0,0,0,0|1,0,1]=4 109 B5R0.1 CC#CC(C)=O AC8567 [1,1,0,0,0,0|0,0,2]=4 110 B5R0.1 CC(=O)CCBr D82681 [1,1,0,0,0,0|0,0,1]=3 111 B5R0.1 CNCC(C)=O 72642 [1,1,0,0,0,0|0,0,1]=3 112 B5R0.1 CONC(C)=O AT24901 [1,1,0,0,0,0|1,0,1]=4 113 B5R0.1 CONC(N)=O AT24902 [1,1,0,0,0,0|2,0,0]=4 114 B5R0.1 C[S@](=O)CCN AT24516 [1,1,0,0,0,0|1,0,1]=4 115 B5R0.1 C[S@](=O)CCN AT24517 [1,1,0,0,0,0|1,0,1]=4 116 B5R0.1 C[S@](=O)CCO E72546 [1,1,0,0,0,0|1,0,1]=4 117 B5R0.1 C\C(I)=C/CI AC6903 [1,1,0,0,0,0|1,0,1]=4 118 B5R0.1 C\C=C/C(C)C T72834 [1,1,0,0,0,0|1,0,1]=4 119 B5R0.1 C\C=C\[N+](=O)[O-] AT20719 [1,1,0,0,0,0|2,0,0]=4 120 B5R0.1 N#CCC(=O)Cl 79959 [1,1,0,0,0,0|1,0,1]=4 121 B5R0.1 N=C(N)CCO AT21673 [1,1,0,0,0,0|2,0,0]=4 122 B5R0.1 NCCC(=O)O T70551 [1,1,0,0,0,0|1,0,0]=3 123 B5R0.1 NCCC(N)=O AC6190 [1,1,0,0,0,0|1,0,0]=3 124 B5R0.1 NCC[N+](=O)[O-] AT10581 [1,1,0,0,0,0|2,0,0]=4 125 B5R0.1 NCC[P@H](=O)O S12399 [1,1,0,0,0,0|2,0,0]=4 126 B5R0.1 [2H]C(=O)OCC D98566 [1,1,0,0,0,0|1,0,0]=3 127 B5R0.5 C=C(C)C(=O)[O-] F14145 [1,1,0,0,0,0|1,0,0]=3 128 B5R0.5 CC(=O)[C@H](C)N 91522 [1,1,0,0,0,0|0,0,1]=3 129 B5R0.5 CC(C)C(=O)O A11457 [1,1,0,0,0,0|1,0,0]=3 130 B5R0.5 CC(C)S(=O)[O-] AT25017 [1,1,0,0,0,0|2,0,0]=4 131 B5R0.5 CC(C)[13C](=O)[O-] D99296 [1,1,0,0,0,0|1,0,0]=3 132 B5R0.5 CC(C)[S@](=O)[O-] C11403 [1,1,0,0,0,0|2,0,0]=4 133 B5R0.5 C[C@H](Cl)C(=O)Cl AT22451 [1,1,0,0,0,0|1,0,0]=3 134 B5R0.5 C[C@H](F)C(=O)O 36890 [1,1,0,0,0,0|1,0,0]=3 135 B5R0.5 C[C@H](N)C(N)=O FD21067 [1,1,0,0,0,0|1,0,0]=3 136 B5R0.5 C[C@H](O)C(=N)N F21307 [1,1,0,0,0,0|2,0,0]=4 137 B5R0.5 C[C@H]([15NH2])C(=O)O 41416 [1,1,0,0,0,0|1,0,0]=3 138 B5R0.5 [2H]C(=O)N(C)C D99052 [1,1,0,0,0,0|2,0,0]=4 139 B5R0.5 [2H]N(C)C(C)=O D99692 [1,1,0,0,0,0|1,0,1]=4 140 B5R0.2 C=CCCC#N C16042 [1,1,0,0,0,0|0,0,2]=4 141 B5R0.2 C=CCCON S12259 [1,1,0,0,0,0|1,0,1]=4 142 B5R0.2 CO\C=C\C#N F16426 [1,1,0,0,0,0|1,0,1]=4 143 B5R0.2 C\C=C\CCN AT22492 [1,1,0,0,0,0|0,0,1]=3 144 B7R0.2 C=C(C)C[C@@H](C)CC T70395 [0,2,0,0,0,0|1,0,1]=4 145 B7R0.2 C=CC(=O)C=C(C)C F12626 [0,2,0,0,0,0|0,0,1]=3 146 B7R0.2 CC(C)CC(=O)CN F50535 [0,2,0,0,0,0|1,0,1]=4 147 B7R0.2 CC\C(C)=C/C(=O)O 64163 [0,2,0,0,0,0|1,0,0]=3 148 B7R0.2 COC(=O)CN(C)C F21349 [0,2,0,0,0,0|1,0,1]=4 149 B7R0.2 COC(=O)C[C@H](C)N N13255 [0,2,0,0,0,0|1,0,1]=4 150 B7R0.3 CCC(=O)OCOC D72002 [0,2,0,0,0,0|0,0,2]=4 151 B7R0.3 CCCNC(=O)CN C78397 [0,2,0,0,0,0|1,0,1]=4 152 B7R0.3 CCONC(=O)CN AT14835 [0,2,0,0,0,0|1,0,1]=4 153 B7R0.3 CNC(=O)NCCO AT23083 [0,2,0,0,0,0|1,0,1]=4 154 B7R0.3 CNC(=O)OCCO AT13707 [0,2,0,0,0,0|1,0,1]=4 155 B7R0.3 CNOCC(=O)OC AT14517 [0,2,0,0,0,0|1,0,1]=4 156 B7R0.3 COC(=O)CCCN 32601 [0,2,0,0,0,0|1,0,1]=4 157 B7R0.3 COC(=O)NCCN AT13709 [0,2,0,0,0,0|1,0,1]=4 158 B7R0.3 COC(=O)\C=C\C=O D90666 [0,2,0,0,0,0|1,0,0]=3 159 B7R0.3 COC(=O)\C=C\CO AT12483 [0,2,0,0,0,0|1,0,0]=3 160 B7R0.3 C\C=C\C[C@@H](C)CC T72110 [0,2,0,0,0,0|1,0,1]=4 161 B7R0.5 CC(C)C(=O)NCO 81303 [0,2,0,0,0,0|1,0,1]=4 162 B7R0.5 CCCC(=O)C(N)=O AC9508 [0,2,0,0,0,0|1,0,0]=3 163 B7R0.5 CN(C)C(=O)CCCl F53638 [0,2,0,0,0,0|1,0,1]=4 164 B7R0.5 CN(C)C(=O)CCN P17578 [0,2,0,0,0,0|1,0,1]=4 165 B7R0.7 C=CCC(=O)CC=C 89933 [0,2,0,0,0,0|0,0,1]=3 166 B7R0.7 CCOC(=O)C=[N+]=[N-] D87242 [0,2,0,0,0,0|1,0,0]=3 167 B7R0.7 CCOC(=O)CCN F19878 [0,2,0,0,0,0|0,0,2]=4 168 B7R0.7 CCOC(=O)\C=C\[O-] P10114 [0,2,0,0,0,0|0,0,0]=2 169 B7R0.7 CCSC(=O)OCI C77591 [0,2,0,0,0,0|1,0,1]=4 170 B7R0.7 O=C(CCBr)CCBr 52047 [0,2,0,0,0,0|0,0,2]=4 171 B7R0.10 C=C(CC)C(=O)OC 82635 [0,2,0,0,0,0|1,0,0]=3 172 B7R0.10 CNC(=O)[C@@H](N)CO N10757 [0,2,0,0,0,0|1,0,1]=4 173 B7R0.10 COC(=O)[C@@H](Br)CF AT23055 [0,2,0,0,0,0|1,0,1]=4 174 B7R0.10 COC(=O)[C@@H](C)C=O AC6281 [0,2,0,0,0,0|1,0,1]=4 175 B7R0.10 COC(=O)[C@@H](Cl)C=O 89839 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.10 COC(=O)[C@@H](F)CN 94842 [0,2,0,0,0,0|1,0,1]=4 177 B7R0.10 COC(=O)[C@@H](N)CO D87908 [0,2,0,0,0,0|1,0,1]=4 178 B7R0.10 COC(=O)[C@@H](O)CN A11345 [0,2,0,0,0,0|1,0,1]=4 179 B7R0.10 COC(=O)[C@H](C)OC 29231 [0,2,0,0,0,0|1,0,1]=4 180 B7R0.10 COC(=O)\C(C)=C\Br 74621 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.10 COC(=O)\C(C)=C\O 91385 [0,2,0,0,0,0|1,0,0]=3 182 B7R0.10 [C-]#[N+][C@@H](C)C(=O)OC AC8795 [0,2,0,0,0,0|1,0,1]=4 183 B7R0.11 C=CC(C)(C)CCC T70796 [0,2,0,0,0,0|1,0,1]=4 184 B7R0.14 CC(C)(C)C(=O)NO AT14824 [0,2,0,0,0,0|2,0,0]=4 185 B7R0.14 C\C=C(/C)C(C)(C)C D92448 [0,2,0,0,0,0|1,0,1]=4 186 B7R0.16 CC(=O)C(=O)[C@H](C)Br A11673 [0,2,0,0,0,0|0,0,1]=3 187 B5R1.2 O=C1CNC1 D87722 [1,0,0,1,0,0|1,0,1]=4 188 B5R1.3 C=CC1CC1 59738 [1,0,0,1,0,0|1,0,1]=4 189 B5R1.1 C1=NCCO1 F18129 [1,0,0,1,0,0|2,0,0]=4 190 B5R1.1 C1=NNCC1 F12428 [1,0,0,1,0,0|2,0,0]=4 191 B7R1.1 BrCC1=CN=CS1 70967 [0,1,0,1,0,0|1,1,0]=4 192 B7R1.1 BrCC1=CNC=N1 AT15560 [0,1,0,1,0,0|2,0,0]=4 193 B7R1.1 BrCC1=COC=N1 F13651 [0,1,0,1,0,0|2,0,0]=4 194 B7R1.1 BrCC1=CSC=N1 70966 [0,1,0,1,0,0|2,0,0]=4 195 B7R1.1 CCC1=CN=CO1 C77473 [0,1,0,1,0,0|0,0,1]=3 196 B7R1.1 CCC1=COC=N1 C77618 [0,1,0,1,0,0|1,0,0]=3 197 B7R1.1 CCC1=NN=CN1 AT12320 [0,1,0,1,0,0|2,0,0]=4 198 B7R1.1 CNC1=NC=CS1 H11141 [0,1,0,1,0,0|1,1,0]=4 199 B7R1.1 COC1=NSC=C1 AT11777 [0,1,0,1,0,0|1,1,0]=4 200 B7R1.1 ClCC1=CN=CS1 F13827 [0,1,0,1,0,0|1,1,0]=4 201 B7R1.1 ClCC1=CNC=N1 70851 [0,1,0,1,0,0|2,0,0]=4 202 B7R1.1 ClCC1=COC=N1 C16353 [0,1,0,1,0,0|2,0,0]=4 203 B7R1.1 ClCC1=CSC=C1 AT17055 [0,1,0,1,0,0|1,1,0]=4 204 B7R1.1 ClCC1=NC=CN1 35198 [0,1,0,1,0,0|2,0,0]=4 205 B7R1.1 ClCC1=NC=CS1 AC6679 [0,1,0,1,0,0|1,1,0]=4 206 B7R1.1 NCC1=CC=NN1 P10323 [0,1,0,1,0,0|2,0,0]=4 207 B7R1.1 NCC1=CC=NS1 AT13366 [0,1,0,1,0,0|1,1,0]=4 208 B7R1.1 NCC1=CNC=N1 C90275 [0,1,0,1,0,0|2,0,0]=4 209 B7R1.1 NCC1=COC=C1 61502 [0,1,0,1,0,0|1,0,1]=4 210 B7R1.1 NCC1=COC=N1 73632 [0,1,0,1,0,0|2,0,0]=4 211 B7R1.1 NCC1=NSC=C1 P10783 [0,1,0,1,0,0|1,1,0]=4 212 B7R1.1 OCC1=CC=CN1 AT16114 [0,1,0,1,0,0|2,0,0]=4 213 B7R1.1 OCC1=CC=NN1 H11417 [0,1,0,1,0,0|2,0,0]=4 214 B7R1.1 OCC1=NC=CN1 D72609 [0,1,0,1,0,0|2,0,0]=4 215 B7R1.1 SCC1=CC=CS1 T72725 [0,1,0,1,0,0|1,1,0]=4 216 B7R1.2 CC1=CC=C(S)S1 AT16550 [0,1,0,1,0,0|0,1,1]=4 217 B7R1.2 CN1C=CC(N)=C1 77871 [0,1,0,1,0,0|1,0,1]=4 218 B7R1.2 CN1C=NC(=O)N1 AT21263 [0,1,0,1,0,0|2,0,0]=4 219 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,1,0,0|0,0,2]=4 220 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,1,0,0|1,0,1]=4 221 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,1,0,0|1,0,1]=4 222 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,1,0,0|1,0,1]=4 223 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,1,0,0|1,0,1]=4 224 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,1,0,0|1,0,1]=4 225 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,1,0,0|1,0,1]=4 226 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,1,0,0|0,0,2]=4 227 B7R1.2 O=C1C=C(O)CN1 F14818 [0,1,0,1,0,0|1,0,0]=3 228 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,1,0,0|0,0,0]=2 229 B7R1.2 O=C1CCC(=S)N1 N13285 [0,1,0,1,0,0|1,0,0]=3 230 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,1,0,0|0,0,2]=4 231 B7R1.2 O=C1CNC(=O)S1 C15052 [0,1,0,1,0,0|2,0,0]=4 232 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,1,0,0|1,0,1]=4 233 B7R1.2 O=C1NC(=S)CS1 D74680 [0,1,0,1,0,0|2,0,0]=4 234 B7R1.2 S=C1CCC(=S)N1 N13284 [0,1,0,1,0,0|1,1,0]=4 235 B7R1.3 BrC1=CCCNC1 D85784 [0,1,0,1,0,0|1,0,1]=4 236 B7R1.3 CC1=CCOCC1 F17726 [0,1,0,1,0,0|1,0,1]=4 237 B7R1.3 ClC1=CCCCC1 FD10699 [0,1,0,1,0,0|1,0,1]=4 238 B7R1.3 N[C@@H]1C=CCCC1 AB10372 [0,1,0,1,0,0|1,0,1]=4 239 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,1,0,1,0,0|1,0,1]=4 240 B7R1.3 O=C1C=NCN=C1 36727 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.3 OC1=CN=NCC1 S11490 [0,1,0,1,0,0|1,0,1]=4 242 B7R1.4 CC1=C(Br)OC=C1 F53471 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.4 CC1=C(C)CNC1 AT22666 [0,1,0,1,0,0|1,0,1]=4 244 B7R1.4 CC1=C(S)C=CS1 A10974 [0,1,0,1,0,0|0,1,1]=4 245 B7R1.4 CN1C=NNC1=O AT21258 [0,1,0,1,0,0|2,0,0]=4 246 B7R1.4 CN1N=CC=C1Cl AT15843 [0,1,0,1,0,0|2,0,0]=4 247 B7R1.4 CN1N=CNC1=O AT21264 [0,1,0,1,0,0|2,0,0]=4 248 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,1,0,0|0,0,2]=4 249 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,1,0,0|0,0,2]=4 250 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,1,0,0|0,0,2]=4 251 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,1,0,0|1,0,1]=4 252 B7R1.4 O=C1CCCC1=O AC2232 [0,1,0,1,0,0|0,0,1]=3 253 B7R1.8 N#C[C@H]1CCC1=O 98576 [0,1,0,1,0,0|0,0,2]=4 254 B7R1.22 CCC(=O)C1CC1 P11281 [0,1,0,1,0,0|0,0,2]=4 255 B7R1.22 NCC(=O)C1CC1 C77542 [0,1,0,1,0,0|1,0,1]=4