0 B7R1.2 C=C1CCC(=O)O1 T71516 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.2 CC1=CC(=O)CO1 Y10351 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.2 CC1=CC=C(Br)O1 C71939 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.2 CC1=CN(C)C=N1 11615 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CC1=CN(C)N=N1 O10352 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CC1=CN=C(N)O1 80158 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=CN=C(N)S1 C13827 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=CNC(=O)N1 O11257 [0,0,0,0,0,0|2,0,1]=3 8 B7R1.2 CC1=CNC(=O)S1 C90545 [0,0,0,0,0,0|2,0,1]=3 9 B7R1.2 CC1=COC(Br)=N1 S10976 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.2 CC1=COC(S)=N1 W16843 [0,0,0,0,0,0|2,1,1]=4 11 B7R1.2 CC1=CSC(Br)=C1 C15930 [0,0,0,0,0,0|2,0,1]=3 12 B7R1.2 CC1=CSC(C)=C1 O10605 [0,0,0,0,0,0|2,0,1]=3 13 B7R1.2 CC1=CSC(I)=N1 W17362 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CC1=NC(=O)NN1 79696 [0,0,0,0,0,0|3,0,0]=3 15 B7R1.2 CC1=NC(N)=NS1 AT11903 [0,0,0,0,0,0|4,0,0]=4 16 B7R1.2 CC1=NC=C(Br)S1 29668 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CC1=NC=C(N)S1 80222 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.2 CC1=NN=C(C)C1 N10051 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=NN=C(N)C1 D88133 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=NN=C(N)O1 71460 [0,0,0,0,0,0|4,0,0]=4 21 B7R1.2 CC1=NN=C(S)O1 F19936 [0,0,0,0,0,0|3,1,0]=4 22 B7R1.2 CC1=NOC(N)=N1 AT13650 [0,0,0,0,0,0|4,0,0]=4 23 B7R1.2 CC1=NOC(O)=N1 C90490 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CC1=NSC(Br)=N1 80337 [0,0,0,0,0,0|4,0,0]=4 25 B7R1.2 CN1C=C(N)N=N1 31768 [0,0,0,0,0,0|4,0,0]=4 26 B7R1.2 CN1C=C(N)N=N1 75215 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.2 CN1C=C(O)C=N1 W16286 [0,0,0,0,0,0|2,0,2]=4 28 B7R1.2 CN1C=CC(N)=C1 O10425 [0,0,0,0,0,0|2,0,2]=4 29 B7R1.2 CN1CCC(=O)C1 64220 [0,0,0,0,0,0|1,0,1]=2 30 B7R1.2 CN1CC[C@H](Br)C1 C14104 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.2 CN1CC[C@H](N)C1 51282 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 CN1CC[C@H](N)C1 51289 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.2 CN1CC[C@H](N)C1 FD9067 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.2 C[C@@H]1CNC(=O)C1 P17327 [0,0,0,0,0,0|1,0,2]=3 35 B7R1.2 C[C@H]1C=CC(=O)O1 A10829 [0,0,0,0,0,0|1,0,3]=4 36 B7R1.2 C[C@H]1CCC(=O)N1 P20894 [0,0,0,0,0,0|1,0,1]=2 37 B7R1.2 C[C@H]1CCC(=O)N1 P20895 [0,0,0,0,0,0|1,0,1]=2 38 B7R1.2 C[C@H]1CC[C@@H](C)N1 P17782 [0,0,0,0,0,0|2,0,2]=4 39 B7R1.2 C[C@H]1CC[C@H](C)N1 P19223 [0,0,0,0,0,0|2,0,2]=4 40 B7R1.2 C[C@H]1CNC(=O)O1 90054 [0,0,0,0,0,0|2,0,1]=3 41 B7R1.2 C[C@H]1COC(=O)N1 O10180 [0,0,0,0,0,0|2,0,1]=3 42 B7R1.2 C[C@H]1COC(=O)N1 W17357 [0,0,0,0,0,0|2,0,1]=3 43 B7R1.2 C[C@H]1COC(=O)O1 D77722 [0,0,0,0,0,0|2,0,1]=3 44 B7R1.2 NC1=CC(=O)CC1 90005 [0,0,0,0,0,0|1,0,0]=1 45 B7R1.2 NC1=CC(=O)NO1 D73552 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 NC1=CC(N)=NN1 F12619 [0,0,0,0,0,0|4,0,0]=4 47 B7R1.2 NC1=NC(=O)CO1 C73385 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.2 NC1=NNC(Cl)=C1 P14071 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 NC1=NNC(F)=C1 38194 [0,0,0,0,0,0|4,0,0]=4 50 B7R1.2 N[C@@H]1CNC(=O)C1 N10626 [0,0,0,0,0,0|2,0,2]=4 51 B7R1.2 N[C@@H]1CNC(=O)C1 P12720 [0,0,0,0,0,0|2,0,2]=4 52 B7R1.2 N[C@@H]1COC(=O)C1 FD1175 [0,0,0,0,0,0|2,0,2]=4 53 B7R1.2 N[C@@H]1COC(=O)C1 W11179 [0,0,0,0,0,0|2,0,2]=4 54 B7R1.2 O=C1C=C(Br)CC1 W19329 [0,0,0,0,0,0|1,0,0]=1 55 B7R1.2 O=C1C=C(Br)CO1 W10959 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.2 O=C1C=C(I)CC1 A12694 [0,0,0,0,0,0|1,0,0]=1 57 B7R1.2 O=C1C=C(O)CO1 F21287 [0,0,0,0,0,0|2,0,0]=2 58 B7R1.2 O=C1CC(=O)NN1 A12550 [0,0,0,0,0,0|3,0,1]=4 59 B7R1.2 O=C1CC[C@H](O)C1 P13127 [0,0,0,0,0,0|1,0,2]=3 60 B7R1.2 O=C1CNC(=O)C1 76756 [0,0,0,0,0,0|2,0,1]=3 61 B7R1.2 O=C1COC(=O)N1 F20602 [0,0,0,0,0,0|3,0,0]=3 62 B7R1.2 O=C1C[C@H](O)CO1 12464 [0,0,0,0,0,0|2,0,2]=4 63 B7R1.2 OC1=NSC(Cl)=C1 O11410 [0,0,0,0,0,0|3,0,1]=4 64 B6R1.2 BrC1=NSC=C1 27111 [1,0,0,0,0,0|3,0,0]=4 65 B6R1.2 C=C1CCNC1 F13598 [1,0,0,0,0,0|1,0,2]=4 66 B6R1.2 CC1=CC=CN1 23756 [1,0,0,0,0,0|1,0,1]=3 67 B6R1.2 CC1=CNC=C1 59365 [1,0,0,0,0,0|1,0,1]=3 68 B6R1.2 CC1=CNN=C1 AT22811 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 CC1=CNN=N1 27289 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 CC1=COC=C1 W18310 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.2 CC1=NNN=C1 D94600 [1,0,0,0,0,0|3,0,0]=4 72 B6R1.2 CC1=NOC=C1 35767 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 C[C@H]1CCNC1 69327 [1,0,0,0,0,0|1,0,2]=4 74 B6R1.2 C[C@H]1CCSC1 70016 [1,0,0,0,0,0|1,0,2]=4 75 B6R1.2 FC1=CC=NN1 P13416 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 IC1=COCC1 P19286 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 NC1=CC=NO1 AB9529 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 NC1=CC=NS1 S11666 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 NC1=CNC=C1 D82737 [1,0,0,0,0,0|2,0,1]=4 80 B6R1.2 NC1=CSC=C1 D77326 [1,0,0,0,0,0|2,0,1]=4 81 B6R1.2 O=C1C=CCN1 AC1277 [1,0,0,0,0,0|1,0,0]=2 82 B6R1.2 O=C1CNCN1 25530 [1,0,0,0,0,0|2,0,1]=4 83 B6R1.2 OC1=NOC=C1 W15437 [1,0,0,0,0,0|2,0,1]=4 84 B6R1.2 SC1=CC=CS1 23061 [1,0,0,0,0,0|1,1,1]=4 85 B6R1.2 SC1=CSC=C1 79297 [1,0,0,0,0,0|1,1,1]=4 86 B8R1.1 C=C[C@@H]1CCC(=O)N1 N10616 [0,1,0,0,0,0|1,0,2]=4 87 B8R1.1 CC1=CC(C#N)=NN1 25520 [0,1,0,0,0,0|3,0,0]=4 88 B8R1.1 CC1=CC(C=O)=CS1 P15425 [0,1,0,0,0,0|1,0,1]=3 89 B8R1.1 CC1=CC(CBr)=NO1 F30090 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.1 CC1=CC(CCl)=NO1 71171 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.1 CC1=CC=C(C=O)N1 29847 [0,1,0,0,0,0|1,0,2]=4 92 B8R1.1 CC1=CN=C(C=O)S1 25174 [0,1,0,0,0,0|2,0,1]=4 93 B8R1.1 CC1=CNC(C=O)=C1 D84258 [0,1,0,0,0,0|1,0,1]=3 94 B8R1.1 CC1=CNC(C=O)=N1 23109 [0,1,0,0,0,0|2,0,1]=4 95 B8R1.1 CC1=COC(C=O)=N1 P10997 [0,1,0,0,0,0|2,0,1]=4 96 B8R1.1 CC1=NC(C=O)=NO1 F13848 [0,1,0,0,0,0|3,0,0]=4 97 B8R1.1 CC1=NC=C(C=O)O1 C10143 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.1 CC1=NN=C(C=O)N1 AC2083 [0,1,0,0,0,0|3,0,0]=4 99 B8R1.1 CC1=NN=C(C=O)S1 Y10085 [0,1,0,0,0,0|3,0,0]=4 100 B8R1.1 CC1=NNC(CO)=C1 71135 [0,1,0,0,0,0|2,0,1]=4 101 B8R1.1 CC1=NOC(CBr)=C1 C15689 [0,1,0,0,0,0|3,0,0]=4 102 B8R1.1 CC1=NOC(CN)=C1 20228 [0,1,0,0,0,0|3,0,0]=4 103 B8R1.1 CCC1=CC(N)=NO1 71263 [0,1,0,0,0,0|3,0,0]=4 104 B8R1.1 CCC1=CC(O)=NO1 AC2644 [0,1,0,0,0,0|2,0,1]=4 105 B8R1.1 CN1C=CC(C=O)=C1 AT16322 [0,1,0,0,0,0|1,0,2]=4 106 B8R1.1 CNC1=NOC(C)=C1 AT19776 [0,1,0,0,0,0|3,0,0]=4 107 B8R1.1 COC1=CC(=O)CC1 63697 [0,1,0,0,0,0|0,0,0]=1 108 B8R1.1 COC1=NOC(N)=C1 D82563 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CSC1=NNC(N)=C1 75644 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 N#C[C@H]1CCC(=O)C1 D96674 [0,1,0,0,0,0|0,0,3]=4 111 B8R1.1 NC1=NNC(CO)=C1 P10905 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 NCC1=CC(Cl)=CS1 P12197 [0,1,0,0,0,0|2,0,1]=4 113 B8R1.1 NCC1=CSC(Br)=C1 P11133 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.1 NC[C@@H]1CNC(=O)C1 37317 [0,1,0,0,0,0|1,0,2]=4 115 B8R1.1 NC[C@@H]1CNC(=O)C1 37318 [0,1,0,0,0,0|1,0,2]=4 116 B8R1.1 NC[C@@H]1CNC(=O)C1 P15063 [0,1,0,0,0,0|1,0,2]=4 117 B8R1.1 NC[C@H]1CCC(=O)N1 D76501 [0,1,0,0,0,0|1,0,1]=3 118 B8R1.1 NC[C@H]1CCC(=O)N1 P10403 [0,1,0,0,0,0|1,0,1]=3 119 B8R1.1 NC[C@H]1CCC(=O)N1 P15844 [0,1,0,0,0,0|1,0,1]=3 120 B8R1.1 NC[C@H]1CCC(=O)N1 P18547 [0,1,0,0,0,0|1,0,1]=3 121 B8R1.1 NC[C@H]1CCC(=O)N1 P19760 [0,1,0,0,0,0|1,0,1]=3 122 B8R1.1 NC[C@H]1CNC(=O)O1 P14233 [0,1,0,0,0,0|2,0,1]=4 123 B8R1.1 NC[C@H]1CNC(=O)O1 P14473 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.1 NC[C@H]1CNC(=O)O1 P14857 [0,1,0,0,0,0|2,0,1]=4 125 B8R1.1 O=C1CC[C@H](CI)O1 AB22632 [0,1,0,0,0,0|1,0,1]=3 126 B8R1.1 O=C1CC[C@H](CO)C1 D79584 [0,1,0,0,0,0|0,0,2]=3 127 B8R1.1 O=C1CC[C@H](CO)O1 80970 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.1 O=C1C[C@H](CO)CN1 P11209 [0,1,0,0,0,0|1,0,2]=4 129 B8R1.1 O=C1NC[C@H](CO)O1 70228 [0,1,0,0,0,0|2,0,1]=4 130 B8R1.1 O=C1N[C@@H](CI)CO1 C72732 [0,1,0,0,0,0|2,0,1]=4 131 B8R1.1 O=C1N[C@@H](CO)CO1 AC1845 [0,1,0,0,0,0|2,0,1]=4 132 B8R1.1 O=C1N[C@@H](CO)CO1 F50277 [0,1,0,0,0,0|2,0,1]=4 133 B8R1.1 O=C1N[C@@H](CO)CO1 F50345 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.1 O=CC1=CC(Br)=NO1 69281 [0,1,0,0,0,0|3,0,0]=4 135 B8R1.1 O=CC1=CC(I)=CS1 Y10451 [0,1,0,0,0,0|2,0,1]=4 136 B8R1.1 O=CC1=CNC(Br)=C1 F13792 [0,1,0,0,0,0|2,0,1]=4 137 B8R1.1 O=CC1=CSC(Br)=C1 P10686 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.1 O=CC1=CSC(Cl)=C1 37628 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.1 OCC1=CC(Br)=NO1 69279 [0,1,0,0,0,0|3,0,0]=4 140 B8R1.1 OCC1=CSC(Cl)=C1 37630 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.1 OCC1=NNC(Br)=C1 P17372 [0,1,0,0,0,0|3,0,0]=4 142 B8R1.18 CC1=CC(=O)C[C@@H]1C C74561 [0,1,0,0,0,0|0,0,0]=1 143 B8R1.18 CC1=CC(Br)=C(C)S1 AT16738 [0,1,0,0,0,0|2,0,1]=4 144 B8R1.18 CC1=CC(C)=C(C)S1 T71950 [0,1,0,0,0,0|2,0,1]=4 145 B8R1.18 CC1=CC(Cl)=NN1C D72062 [0,1,0,0,0,0|3,0,0]=4 146 B8R1.18 CC1=CC(N)=C(C)S1 86689 [0,1,0,0,0,0|2,0,1]=4 147 B8R1.18 CC1=NN(C)C(Br)=C1 38097 [0,1,0,0,0,0|3,0,0]=4 148 B8R1.18 CN1CC(=O)OC1=O Y11634 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.18 CN1NC(=O)C=C1N P19144 [0,1,0,0,0,0|3,0,0]=4 150 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O C90245 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.18 C[C@@H]1SC(N)=NC1=O D85819 [0,1,0,0,0,0|3,0,0]=4 152 B8R1.18 N[C@H]1CC(=O)OC1=O 51906 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.18 N[C@H]1CC(=O)OC1=O 51907 [0,1,0,0,0,0|2,0,0]=3 154 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C75058 [0,1,0,0,0,0|2,0,0]=3 155 B8R1.18 O=C1NC(=O)[C@H](Br)S1 W10365 [0,1,0,0,0,0|3,0,0]=4 156 B8R1.50 CC1=C(Br)C(=O)NN1 C77007 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.50 CC1=C(Br)C(Br)=NN1 AC6424 [0,1,0,0,0,0|3,0,0]=4 158 B8R1.50 CC1=C(Br)COC1=O W19136 [0,1,0,0,0,0|2,0,0]=3 159 B8R1.50 CC1=C(Cl)C(Br)=NN1 D80975 [0,1,0,0,0,0|3,0,0]=4 160 B8R1.50 CC1=C(I)C(I)=NN1 C76114 [0,1,0,0,0,0|3,0,0]=4 161 B8R1.50 CC1=CSC(C)=C1N AT16742 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.50 CC1=NNC(=O)[C@H]1Br W18036 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.50 CC1=NNC(C)=C1N 51248 [0,1,0,0,0,0|3,0,0]=4 164 B8R1.50 CC1=NNC(Cl)=C1N P12022 [0,1,0,0,0,0|3,0,0]=4 165 B8R1.50 CC1=NNC(O)=C1C S10439 [0,1,0,0,0,0|2,0,1]=4 166 B8R1.50 CC1=NOC(C)=C1O AT19674 [0,1,0,0,0,0|3,0,0]=4 167 B8R1.50 CC1=NOC(N)=C1Cl 70875 [0,1,0,0,0,0|3,0,0]=4 168 B8R1.50 CN1C(=O)CCC1=O D70368 [0,1,0,0,0,0|2,0,0]=3 169 B8R1.50 CN1CCN(C)C1=N C11276 [0,1,0,0,0,0|3,0,0]=4 170 B8R1.50 CN1CCN(C)C1=O D77693 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.50 CN1CC[C@H](Br)C1=O C77641 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.50 CN1CC[C@H](N)C1=O 51274 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.50 NN1C(=O)CCC1=O T70071 [0,1,0,0,0,0|2,0,0]=3 174 B8R1.51 CC1(C)CCC(=O)C1 55299 [0,1,0,0,0,0|0,0,2]=3 175 B8R1.51 CC1(C)CCC(=O)N1 30720 [0,1,0,0,0,0|1,0,1]=3 176 B8R1.51 CC1(C)CCC(=O)O1 48435 [0,1,0,0,0,0|1,0,1]=3 177 B8R1.51 CC1(C)CNC(=O)O1 90053 [0,1,0,0,0,0|2,0,1]=4 178 B8R1.51 CC1(C)COC(=O)C1 82056 [0,1,0,0,0,0|1,0,2]=4 179 B8R1.51 CC1(C)COC(=O)N1 38028 [0,1,0,0,0,0|2,0,1]=4 180 B8R1.51 C[C@@]1(O)CNC(=O)C1 F18103 [0,1,0,0,0,0|1,0,2]=4 181 B8R1.51 C[C@H]1CCS(=O)(=O)O1 E70444 [0,1,0,0,0,0|2,0,1]=4 182 B6R0.1 C=C=CC(=O)OC F20885 [0,0,1,0,0,0|1,0,2]=4 183 B6R0.1 CCNC(=O)CO 79517 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.1 COC(=O)\C=C\I C10406 [0,0,1,0,0,0|2,0,0]=3 185 B6R0.2 CC(=O)CC(=O)[O-] T70807 [0,0,1,0,0,0|2,0,1]=4 186 B6R0.2 CC(=O)\C=C(\C)[O-] F16607 [0,0,1,0,0,0|1,0,0]=2 187 B6R0.2 CC(=O)\C=C(\C)[O-] T70322 [0,0,1,0,0,0|1,0,0]=2 188 B6R0.2 CC(=O)\C=C(\C)[O-] T71766 [0,0,1,0,0,0|1,0,0]=2 189 B6R0.2 CC(=O)\C=C(\C)[O-] T71857 [0,0,1,0,0,0|1,0,0]=2 190 B6R0.2 CC(C)CC(N)=O C75541 [0,0,1,0,0,0|1,0,2]=4 191 B6R0.2 CC(C)NC(N)=O 44261 [0,0,1,0,0,0|2,0,1]=4 192 B6R0.4 C=C(C)CCCBr 71968 [0,0,1,0,0,0|1,0,1]=3 193 B6R0.4 C=CCCC(=O)Cl F16765 [0,0,1,0,0,0|1,0,1]=3 194 B6R0.4 CC(=O)CCC=O P17049 [0,0,1,0,0,0|1,0,0]=2 195 B6R0.4 CC(=O)CCCBr 25631 [0,0,1,0,0,0|1,0,2]=4 196 B6R0.4 CC(C)CCC=O 31143 [0,0,1,0,0,0|0,0,2]=3 197 B6R0.4 CCOCC(=O)O D73862 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.4 NCCCC(N)=O C72206 [0,0,1,0,0,0|2,0,1]=4 199 B8R2.18 O=C1CC2CC2C1 W10830 [0,0,0,1,0,0|0,0,2]=3 200 B8R2.38 O=C1CCC2CC12 P19135 [0,0,0,1,0,0|0,0,2]=3 201 B8R2.38 O=C1CCC2OC12 60057 [0,0,0,1,0,0|1,0,2]=4 202 B6R1.4 C[C@@H]1OCC1=O P16003 [0,0,0,0,1,0|1,0,1]=3 203 B6R1.4 C[C@H]1CCC1=O W18267 [0,0,0,0,1,0|0,0,1]=2 204 B6R1.4 C[C@H]1CNC1=O P20594 [0,0,0,0,1,0|1,0,1]=3 205 B6R1.4 O=C1CC[C@@H]1Br P18435 [0,0,0,0,1,0|1,0,1]=3 206 B6R1.5 CC1CC(=O)C1 P12177 [0,0,0,0,1,0|0,0,2]=3 207 B6R1.5 CN1CC(=O)C1 P15929 [0,0,0,0,1,0|1,0,1]=3 208 B6R1.5 C[C@H]1CC(=O)O1 AT19323 [0,0,0,0,1,0|1,0,1]=3 209 B6R1.5 O=C1CC(O)C1 P12929 [0,0,0,0,1,0|1,0,2]=4 210 B8R1.3 CC1=CC=C(C)N=N1 S11370 [0,0,0,0,0,1|3,0,0]=4 211 B8R1.3 CC1=CN=C(Br)C=N1 88781 [0,0,0,0,0,1|2,0,1]=4 212 B8R1.3 CC1=CN=C(F)N=C1 F11686 [0,0,0,0,0,1|2,0,1]=4 213 B8R1.3 CC1=CN=C(I)C=N1 W17940 [0,0,0,0,0,1|2,0,1]=4 214 B8R1.3 CC1=CN=C(N)C=N1 52044 [0,0,0,0,0,1|2,0,1]=4 215 B8R1.3 CC1=CN=C(N)N=C1 51196 [0,0,0,0,0,1|2,0,1]=4 216 B8R1.3 CC1=CN=C(O)C=N1 84954 [0,0,0,0,0,1|1,0,2]=4 217 B8R1.3 CC1=NC=C(F)C=N1 O11437 [0,0,0,0,0,1|2,0,1]=4 218 B8R1.3 CC1=NC=C(I)C=C1 C10582 [0,0,0,0,0,1|1,0,2]=4 219 B8R1.3 CC1=NC=C(O)C=N1 25911 [0,0,0,0,0,1|1,0,2]=4 220 B8R1.3 CN1CC=C(Br)CC1 CS3354 [0,0,0,0,0,1|2,0,0]=3 221 B8R1.3 C[C@@H]1C=CC(=O)CC1 P17313 [0,0,0,0,0,1|0,0,1]=2 222 B8R1.3 C[C@H]1CCC(=O)NC1 P11593 [0,0,0,0,0,1|0,0,2]=3 223 B8R1.3 C[C@H]1CNC(=O)CN1 P15845 [0,0,0,0,0,1|1,0,2]=4 224 B8R1.3 C[C@H]1CNC(=O)CN1 P17730 [0,0,0,0,0,1|1,0,2]=4 225 B8R1.3 C[C@H]1CNC(=O)CN1 P18573 [0,0,0,0,0,1|1,0,2]=4 226 B8R1.3 C[C@H]1CNC(=O)CO1 AC2156 [0,0,0,0,0,1|1,0,2]=4 227 B8R1.3 NC1=NNC(=O)C=C1 A11691 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.3 N[C@H]1CCC(=O)NC1 37582 [0,0,0,0,0,1|1,0,2]=4 229 B8R1.3 N[C@H]1CCC(=O)NC1 D95207 [0,0,0,0,0,1|1,0,2]=4 230 B8R1.3 N[C@H]1CCC(=O)NC1 P10248 [0,0,0,0,0,1|1,0,2]=4 231 B8R1.3 O=C1C=C[C@@H](O)OC1 SC1227 [0,0,0,0,0,1|2,0,1]=4 232 B8R1.3 O=C1CCC(=O)OC1 P20160 [0,0,0,0,0,1|1,0,1]=3 233 B8R1.3 O=C1CCC(F)CC1 23163 [0,0,0,0,0,1|1,0,2]=4 234 B8R1.3 O=C1CC[C@H](F)CN1 P20230 [0,0,0,0,0,1|1,0,2]=4 235 B8R1.3 O=C1CC[C@H](O)CN1 62219 [0,0,0,0,0,1|1,0,2]=4 236 B8R1.3 O=C1CC[C@H](O)CO1 F13840 [0,0,0,0,0,1|1,0,2]=4 237 B8R1.4 C=C1CCCC(=O)O1 D93802 [0,0,0,0,0,1|1,0,1]=3 238 B8R1.4 CC1=CC(=O)OCC1 D93039 [0,0,0,0,0,1|0,0,0]=1 239 B8R1.4 CC1=CC(=S)NC=C1 I11274 [0,0,0,0,0,1|0,1,2]=4 240 B8R1.4 CC1=CC(=S)NC=N1 C75430 [0,0,0,0,0,1|1,1,1]=4 241 B8R1.4 CC1=CN=NC(=O)C1 78530 [0,0,0,0,0,1|1,0,2]=4 242 B8R1.4 CC1=NC=CC(I)=C1 25628 [0,0,0,0,0,1|1,0,2]=4 243 B8R1.4 CN1CCCC(=O)C1 S10664 [0,0,0,0,0,1|1,0,1]=3 244 B8R1.4 C[C@H]1CC(=O)CCN1 37834 [0,0,0,0,0,1|0,0,2]=3 245 B8R1.4 C[C@H]1CC(=O)CCN1 37835 [0,0,0,0,0,1|0,0,2]=3 246 B8R1.4 C[C@H]1CC(=O)CCN1 37846 [0,0,0,0,0,1|0,0,2]=3 247 B8R1.4 C[C@H]1CC(=O)CCO1 P11761 [0,0,0,0,0,1|0,0,2]=3 248 B8R1.4 C[C@H]1CCNC(=O)C1 P11592 [0,0,0,0,0,1|0,0,2]=3 249 B8R1.4 C[C@H]1CCOC(=O)O1 W17381 [0,0,0,0,0,1|1,0,1]=3 250 B8R1.4 C[C@H]1CNCC(=O)N1 38273 [0,0,0,0,0,1|1,0,1]=3 251 B8R1.4 C[C@H]1CNCC(=O)N1 71648 [0,0,0,0,0,1|1,0,1]=3 252 B8R1.4 C[C@H]1CNCC(=O)N1 P10459 [0,0,0,0,0,1|1,0,1]=3 253 B8R1.4 NC1=CC(=O)COC1 P18321 [0,0,0,0,0,1|1,0,0]=2 254 B8R1.4 N[C@H]1CCCC(=O)C1 20374 [0,0,0,0,0,1|1,0,2]=4 255 B8R1.4 N[C@H]1CCNC(=O)C1 27397 [0,0,0,0,0,1|1,0,2]=4 256 B8R1.4 O=C1C=C(Br)NC=N1 F10443 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.4 O=C1CNCC(=O)C1 91786 [0,0,0,0,0,1|1,0,1]=3 258 B8R1.4 O=C1COCC(=O)N1 AR2999 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.4 O=C1C[C@@H](O)CCN1 68727 [0,0,0,0,0,1|1,0,2]=4 260 B8R1.4 O=C1C[C@@H](O)CCN1 68728 [0,0,0,0,0,1|1,0,2]=4 261 B8R1.4 O=C1[CH-]C(=O)COC1 I11592 [0,0,0,0,0,1|1,0,1]=3 262 B5R0.1 C=C(C)CON F31248 [1,0,1,0,0,0|2,0,0]=4 263 B5R0.1 CN(C)CC=O D88083 [1,0,1,0,0,0|1,0,1]=4 264 B5R0.1 CNCC(=O)[O-] F20742 [1,0,1,0,0,0|2,0,0]=4 265 B5R0.1 O=C(O)\C=C\Br AC1121 [1,0,1,0,0,0|2,0,0]=4 266 B5R0.1 O=C(O)\C=C\I W15430 [1,0,1,0,0,0|2,0,0]=4 267 B5R0.2 C#CCCC=C T71785 [1,0,1,0,0,0|0,0,2]=4 268 B5R0.2 C#CCCC=O 89357 [1,0,1,0,0,0|0,0,2]=4 269 B5R0.2 C=CCCNC W16107 [1,0,1,0,0,0|1,0,0]=3 270 B5R0.2 O=CCCCO 55817 [1,0,1,0,0,0|1,0,1]=4 271 B5R0.3 CCC(=O)CN S11993 [1,0,1,0,0,0|1,0,1]=4 272 B5R0.3 CC[PH](=O)CC C77650 [1,0,1,0,0,0|1,0,1]=4 273 B5R1.1 C1=CCSC1 F20684 [2,0,0,0,0,0|1,0,1]=4 274 B5R1.1 C1=C[Se]C=C1 A12389 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.2 CC[C@H](C)CC(=O)O 63986 [0,1,1,0,0,0|0,0,2]=4 276 B7R0.2 CC[C@H](C)CC(C)=O A11862 [0,1,1,0,0,0|0,0,2]=4 277 B7R0.2 CO\C(C)=C/C(C)=O D93418 [0,1,1,0,0,0|1,0,0]=3 278 B7R0.3 CCC(=O)OCCO A11774 [0,1,1,0,0,0|1,0,1]=4 279 B7R0.3 COC(=O)\C=C\CCl AT12623 [0,1,1,0,0,0|1,0,0]=3 280 B7R0.3 COC(=O)\C=C\CN AT20770 [0,1,1,0,0,0|1,0,0]=3 281 B7R0.5 CCOC(=O)[C@H](C)O D75729 [0,1,1,0,0,0|1,0,1]=4 282 B7R0.5 CCSC(=O)[C@H](C)N C14826 [0,1,1,0,0,0|1,0,1]=4 283 B7R0.7 C=C=CC(=O)OCC T71774 [0,1,1,0,0,0|0,0,2]=4 284 B7R0.7 CCNC(=O)CCCl Y14703 [0,1,1,0,0,0|1,0,1]=4 285 B7R0.7 CCNC(=O)CNC A12930 [0,1,1,0,0,0|1,0,1]=4 286 B7R0.7 COCC(=O)COC 36699 [0,1,1,0,0,0|1,0,1]=4 287 B7R0.16 CC(=O)C(N)C(C)=O F17513 [0,1,1,0,0,0|1,0,1]=4 288 B7R0.4 CC(=O)CCCCBr O11558 [0,1,1,0,0,0|0,0,2]=4 289 B7R0.4 CCCOCC(=O)O AC1647 [0,1,1,0,0,0|1,0,1]=4 290 B7R0.4 CCNCCC(N)=O AT24732 [0,1,1,0,0,0|1,0,1]=4 291 B7R0.4 CNCCCC(N)=O 21232 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.4 COCCCC(=O)O 78063 [0,1,1,0,0,0|1,0,1]=4 293 B7R0.6 CC(C)=CCC(=O)O 24307 [0,1,1,0,0,0|0,0,2]=4 294 B7R0.6 C[C@H](Cl)CCC(=O)Cl W17602 [0,1,1,0,0,0|1,0,1]=4 295 B7R0.6 C[C@H](O)CCC(=O)[O-] AC8853 [0,1,1,0,0,0|1,0,1]=4 296 B7R0.6 C[S+](C)CCC(=O)O T70554 [0,1,1,0,0,0|1,0,1]=4 297 B7R0.6 O=C(O)CCC(=O)O D85169 [0,1,1,0,0,0|2,0,0]=4 298 B7R1.1 BrCC1=CC=NO1 33595 [1,1,0,0,0,0|2,0,0]=4 299 B7R1.1 BrCC1=CCCC1 37275 [1,1,0,0,0,0|0,0,1]=3 300 B7R1.1 BrCC1=NOC=C1 71749 [1,1,0,0,0,0|2,0,0]=4 301 B7R1.1 CNC1=NNC=C1 72540 [1,1,0,0,0,0|2,0,0]=4 302 B7R1.1 CNC1=NOC=C1 72015 [1,1,0,0,0,0|2,0,0]=4 303 B7R1.1 CNC1=NOC=C1 72539 [1,1,0,0,0,0|2,0,0]=4 304 B7R1.1 COC1=CCCC1 D93350 [1,1,0,0,0,0|0,0,1]=3 305 B7R1.1 COC1=NNC=C1 D79536 [1,1,0,0,0,0|2,0,0]=4 306 B7R1.1 ClCC1=CC=CS1 79790 [1,1,0,0,0,0|1,0,1]=4 307 B7R1.1 ClCC1=CC=NO1 33348 [1,1,0,0,0,0|2,0,0]=4 308 B7R1.1 ClCC1=NOC=C1 F13567 [1,1,0,0,0,0|2,0,0]=4 309 B7R1.1 NCC1=CC=CN1 25931 [1,1,0,0,0,0|1,0,1]=4 310 B7R1.1 NCC1=CC=NO1 33343 [1,1,0,0,0,0|2,0,0]=4 311 B7R1.1 NCC1=CC=NO1 33364 [1,1,0,0,0,0|2,0,0]=4 312 B7R1.1 NCC1=CNC=C1 F12967 [1,1,0,0,0,0|1,0,1]=4 313 B7R1.1 NCC1=NNC=C1 36190 [1,1,0,0,0,0|2,0,0]=4 314 B7R1.1 NCC1=NOC=C1 W10075 [1,1,0,0,0,0|2,0,0]=4 315 B7R1.1 O=CC1=CC=C[Se]1 T72165 [1,1,0,0,0,0|1,0,1]=4 316 B7R1.1 O=CC1=CC=NS1 62852 [1,1,0,0,0,0|2,0,0]=4 317 B7R1.1 O=CC1=CCC=C1 77835 [1,1,0,0,0,0|0,0,1]=3 318 B7R1.1 O=CC1=CCCC1 26227 [1,1,0,0,0,0|0,0,1]=3 319 B7R1.1 O=CC1=CCCO1 D79895 [1,1,0,0,0,0|1,0,1]=4 320 B7R1.1 O=CC1=NOC=C1 P10400 [1,1,0,0,0,0|2,0,0]=4 321 B7R1.1 OCC1=CC=NO1 33580 [1,1,0,0,0,0|2,0,0]=4 322 B7R1.1 OCC1=CC=NS1 53001 [1,1,0,0,0,0|2,0,0]=4 323 B7R1.4 BrC1=C(Br)CCC1 79351 [1,1,0,0,0,0|1,0,1]=4 324 B7R1.4 CC1=C(Br)C=NO1 F19689 [1,1,0,0,0,0|2,0,0]=4 325 B7R1.4 CC1=C(C)NC=C1 F20873 [1,1,0,0,0,0|1,0,1]=4 326 B7R1.4 CC1=C(N)C=NO1 D82481 [1,1,0,0,0,0|2,0,0]=4 327 B7R1.4 CC1=CCOC1=O T72100 [1,1,0,0,0,0|1,0,0]=3 328 B7R1.4 CC1=CSC=C1N P10841 [1,1,0,0,0,0|1,0,1]=4 329 B7R1.4 CC1=NOC=C1N O11036 [1,1,0,0,0,0|2,0,0]=4 330 B7R1.4 CC1=NSC=C1Br 20343 [1,1,0,0,0,0|2,0,0]=4 331 B7R1.4 CC1=NSC=C1N 75880 [1,1,0,0,0,0|2,0,0]=4 332 B7R1.4 CN1CCN=C1N W16176 [1,1,0,0,0,0|2,0,0]=4 333 B7R1.4 CN1CCNC1=O 81682 [1,1,0,0,0,0|2,0,0]=4 334 B7R1.4 N[C@H]1CCNC1=O 51276 [1,1,0,0,0,0|1,0,1]=4 335 B7R1.4 N[C@H]1CCNC1=O 51277 [1,1,0,0,0,0|1,0,1]=4 336 B7R1.4 N[C@H]1CCNC1=O 51278 [1,1,0,0,0,0|1,0,1]=4 337 B7R1.4 N[C@H]1CCNC1=O F14678 [1,1,0,0,0,0|1,0,1]=4 338 B7R1.4 N[C@H]1CCSC1=O O10218 [1,1,0,0,0,0|1,0,1]=4 339 B7R1.4 N[C@H]1CONC1=O FD3007 [1,1,0,0,0,0|2,0,0]=4 340 B7R1.4 O=C1NCC[C@@H]1Br 78555 [1,1,0,0,0,0|1,0,1]=4 341 B7R1.4 O=C1OCC[C@@H]1O F14291 [1,1,0,0,0,0|1,0,1]=4 342 B7R1.4 O[C@H]1CCC=C1Br D79898 [1,1,0,0,0,0|0,0,2]=4 343 B7R1.8 CO[C@H]1CCC1=O P17941 [0,1,0,0,1,0|0,0,1]=3 344 B7R1.8 O=C1CC[C@@H]1CO P13853 [0,1,0,0,1,0|0,0,1]=3 345 B7R1.10 COC1CC(=O)C1 P12741 [0,1,0,0,1,0|0,0,2]=4 346 B7R1.10 O=C1CC(CBr)C1 39031 [0,1,0,0,1,0|0,0,2]=4 347 B7R1.10 O=C1CC(CCl)C1 P11243 [0,1,0,0,1,0|0,0,2]=4 348 B7R1.10 O=C1C[C@H](CO)N1 P17668 [0,1,0,0,1,0|1,0,1]=4 349 B7R1.16 CC1(C)CC(=O)C1 P13045 [0,1,0,0,1,0|0,0,2]=4 350 B7R1.16 CC1(C)CC(=O)N1 D72853 [0,1,0,0,1,0|1,0,1]=4 351 B7R1.16 CC1(N)CC(=O)C1 P17533 [0,1,0,0,1,0|0,0,2]=4 352 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [0,1,0,0,0,1|1,0,1]=4 353 B9R1.1 CCC1=NNC(=O)C=C1 65671 [0,1,0,0,0,1|2,0,0]=4 354 B9R1.1 CN1CC=C(CO)CC1 AC1022 [0,1,0,0,0,1|1,0,1]=4 355 B9R1.1 CON1CCC(=O)CC1 92073 [0,1,0,0,0,1|1,0,1]=4 356 B9R1.1 NCC1CCC(=O)CC1 56684 [0,1,0,0,0,1|0,0,2]=4 357 B9R1.1 NC[C@H]1CCC(=O)NC1 37820 [0,1,0,0,0,1|0,0,2]=4 358 B9R1.1 O=C1CC[C@H](CO)CN1 C72773 [0,1,0,0,0,1|0,0,2]=4 359 B9R1.10 CC1(O)CCC(=O)CC1 F13738 [0,1,0,0,0,1|0,0,2]=4 360 B9R1.10 O=C1C=CC(F)(F)CC1 D79120 [0,1,0,0,0,1|1,0,1]=4 361 B9R1.69 CC1=C(N)NC(=O)N=C1 26036 [0,1,0,0,0,1|1,0,1]=4 362 B9R1.69 CC1=CC(=O)NN=C1C P11942 [0,1,0,0,0,1|2,0,0]=4 363 B9R1.69 CC1=CC(C)=NNC1=O P10153 [0,1,0,0,0,1|2,0,0]=4 364 B9R1.69 CC1=NNC(=O)C(Br)=C1 22926 [0,1,0,0,0,1|2,0,0]=4 365 B9R1.69 CC1=NNC(=O)C(N)=C1 P10094 [0,1,0,0,0,1|2,0,0]=4 366 B9R1.69 CC1=NNC(=O)N(N)C1 D94534 [0,1,0,0,0,1|2,0,0]=4 367 B9R1.69 CC1=NNC(=O)NC1=O T71473 [0,1,0,0,0,1|2,0,0]=4 368 B9R1.69 CN1CCC(=O)CC1=O P13026 [0,1,0,0,0,1|1,0,0]=3 369 B9R1.69 C[C@H]1CCC(=O)NC1=O W17200 [0,1,0,0,0,1|0,0,1]=3 370 B9R1.69 N[C@H]1CCC(=O)NC1=O AT11186 [0,1,0,0,0,1|1,0,1]=4 371 B9R1.2 CCC1=CC(=O)CCC1 A10067 [0,1,0,0,0,1|0,0,0]=2 372 B9R1.2 CCC1=CC(=O)NC=N1 F13915 [0,1,0,0,0,1|1,0,1]=4 373 B9R1.2 CCC1=CC(=O)NN=C1 S11511 [0,1,0,0,0,1|1,0,1]=4 374 B9R1.2 CCN1CCNC(=O)C1 C76051 [0,1,0,0,0,1|1,0,1]=4 375 B9R1.2 CCN1CCNC(=O)C1 F52612 [0,1,0,0,0,1|1,0,1]=4 376 B9R1.2 CC[C@H]1CC(=O)CCO1 73975 [0,1,0,0,0,1|0,0,2]=4 377 B9R1.2 CC[C@H]1CNCC(=O)N1 D97274 [0,1,0,0,0,1|1,0,1]=4 378 B9R1.2 COC1=CC(=O)NC=C1 25837 [0,1,0,0,0,1|0,0,2]=4 379 B9R1.2 CSC1=NC(=O)CCN1 AC1460 [0,1,0,0,0,1|1,0,0]=3 380 B9R1.2 NC[C@H]1CCNC(=O)C1 37084 [0,1,0,0,0,1|0,0,2]=4 381 B9R1.2 NC[C@H]1CCNC(=O)C1 72532 [0,1,0,0,0,1|0,0,2]=4 382 B9R1.2 O=C1C=C(CCl)C=CN1 AT18186 [0,1,0,0,0,1|0,0,2]=4 383 B9R1.2 O=C1C=C(CO)C=CN1 37365 [0,1,0,0,0,1|0,0,2]=4 384 B9R1.2 O=C1CCC[C@H](CO)C1 Y10198 [0,1,0,0,0,1|0,0,2]=4 385 B9R1.2 O=C1CCC[C@H](CO)N1 Y14667 [0,1,0,0,0,1|1,0,1]=4 386 B9R1.2 O=C1COC[C@H](CO)N1 O11304 [0,1,0,0,0,1|1,0,1]=4 387 B9R1.2 O=C1C[C@@H](CO)CCN1 37567 [0,1,0,0,0,1|0,0,2]=4 388 B9R1.3 CC1=C(I)C(=O)N=CN1 H10358 [0,1,0,0,0,1|1,0,1]=4 389 B9R1.3 CN1C(=O)CCCC1=O C74292 [0,1,0,0,0,1|2,0,0]=4 390 B9R1.3 CN1C(=O)CNCC1=O P12568 [0,1,0,0,0,1|2,0,0]=4 391 B9R1.3 O=C1CCCC(O)=C1Cl AC1563 [0,1,0,0,0,1|1,0,0]=3 392 B9R1.34 CC1=CC(=O)C=C(O)O1 O10801 [0,1,0,0,0,1|0,0,2]=4 393 B9R1.34 CC1CC(=O)CC(C)N1 32785 [0,1,0,0,0,1|0,0,2]=4 394 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 P14153 [0,1,0,0,0,1|0,0,2]=4 395 B9R1.34 NC1CC(=O)NC(=O)C1 P17113 [0,1,0,0,0,1|2,0,0]=4 396 B9R1.34 O=C1CC(=O)OC(=O)C1 C71213 [0,1,0,0,0,1|2,0,0]=4 397 B9R1.66 CC1(C)CCCC(=O)N1 W17371 [0,1,0,0,0,1|1,0,1]=4 398 B9R1.66 CC1(C)CNCC(=O)N1 C91375 [0,1,0,0,0,1|1,0,1]=4 399 B9R1.7 CCC[C@H]1CCC(=O)C1 A10517 [0,2,0,0,0,0|0,0,2]=4 400 B9R1.7 CCOC1=CC(=O)CC1 W16153 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.21 CCC1=NOC(C=O)=C1 D79227 [0,2,0,0,0,0|2,0,0]=4 402 B9R1.35 CC(=O)C1=CNC(C)=C1 C75858 [0,2,0,0,0,0|1,0,1]=4 403 B9R1.35 CC(=O)C1=NNC(C)=C1 Y10230 [0,2,0,0,0,0|2,0,0]=4 404 B9R1.35 CC(=O)C1=NOC(C)=C1 72215 [0,2,0,0,0,0|2,0,0]=4 405 B9R1.35 CC(C)[C@@H]1CCC(=O)N1 AT19193 [0,2,0,0,0,0|1,0,1]=4 406 B9R1.35 CC1=CC(C(=O)O)=CS1 BL001054 [0,2,0,0,0,0|1,0,1]=4 407 B9R1.35 CC1=CC(C(=O)O)=NS1 AT21128 [0,2,0,0,0,0|2,0,0]=4 408 B9R1.132 CC1=CNC(C=O)=C1C 39169 [0,2,0,0,0,0|1,0,1]=4 409 B9R1.132 CC1=CSC(C=O)=C1Cl W10338 [0,2,0,0,0,0|1,0,1]=4 410 B9R1.132 CN1C(=O)CC[C@@H]1CO 94188 [0,2,0,0,0,0|1,0,1]=4 411 B9R1.132 CN1C(=O)CC[C@@H]1CO 94193 [0,2,0,0,0,0|1,0,1]=4 412 B9R1.132 CN1C(=O)CC[C@@H]1CO S11484 [0,2,0,0,0,0|1,0,1]=4 413 B9R1.132 COC1=C(Br)C(=O)CC1 P19034 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.37 CC1=C(Br)C(=O)OC1=O D86617 [0,2,0,0,0,0|1,0,1]=4 415 B9R1.37 CC1=C(O)C(=O)C[C@@H]1C D93041 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.37 CN1C(=O)C[C@H](N)C1=O P17111 [0,2,0,0,0,0|2,0,0]=4 417 B9R1.37 O=C1O[C@H](O)C(Br)=C1Br 31315 [0,2,0,0,0,0|2,0,0]=4 418 B9R1.38 CC1(C)CC(=O)NC1=O AB9146 [0,2,0,0,0,0|2,0,0]=4 419 B9R1.38 CC1(C)OC(=O)C=C1O W17107 [0,2,0,0,0,0|2,0,0]=4 420 B9R1.106 CC1(C)C(=O)CCC1=O C74976 [0,2,0,0,0,0|1,0,1]=4 421 B9R1.106 O=C1CCC(=O)C1(F)F AC3221 [0,2,0,0,0,0|1,0,1]=4 422 B7R1.3 CC1=CCNCC1 A11257 [0,0,1,1,0,0|1,0,1]=4 423 B7R1.3 N[C@@H]1C=CCCC1 D84435 [0,0,1,1,0,0|1,0,1]=4 424 B7R1.3 O=C1C=CCCN1 88830 [0,0,1,1,0,0|1,0,0]=3 425 B7R1.3 O=C1C=CCOC1 O10790 [0,0,1,1,0,0|1,0,0]=3 426 B7R1.3 O=C1CCCCS1 D95162 [0,0,1,1,0,0|1,0,1]=4 427 B7R1.6 N#CC=C1CCC1 P11568 [0,0,1,1,0,0|1,0,1]=4 428 B7R1.6 O=CCC1CCC1 55432 [0,0,1,1,0,0|0,0,2]=4 429 B7R1.18 CC(=O)C1COC1 79962 [0,0,1,1,0,0|1,0,1]=4 430 B7R1.18 NC(=O)C1CCC1 20365 [0,0,1,1,0,0|1,0,1]=4 431 B7R1.18 O=C(O)C1COC1 81314 [0,0,1,1,0,0|2,0,0]=4 432 B7R1.18 O=C(O)C1CSC1 P12604 [0,0,1,1,0,0|2,0,0]=4 433 B9R2.39 O=C1CC2CC1CN2 D84847 [0,0,0,1,0,1|0,0,2]=4 434 B9R2.39 O=C1NC2CCC1C2 W18193 [0,0,0,1,0,1|1,0,1]=4 435 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 86118 [0,0,0,1,0,1|1,0,1]=4 436 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 D96860 [0,0,0,1,0,1|1,0,1]=4 437 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 I11656 [0,0,0,1,0,1|1,0,1]=4 438 B9R2.109 O=C1CCCC2CC12 P10813 [0,0,0,1,0,1|0,0,2]=4 439 B9R2.139 O=C1CCC2(CC2)N1 80157 [0,1,0,1,0,0|1,0,1]=4 440 B5R0.5 CC(=O)C(N)=S 93979 [0,0,1,0,1,0|2,0,0]=4 441 B5R0.5 CC(=O)[C@H](C)N D76571 [0,0,1,0,1,0|1,0,1]=4 442 B5R0.5 CC(=S)N(C)C 76921 [0,0,1,0,1,0|1,1,0]=4 443 B5R1.2 C[C@H]1CCN1 98100 [1,0,0,0,1,0|1,0,1]=4 444 B5R1.2 C[C@H]1CCN1 P21034 [1,0,0,0,1,0|1,0,1]=4 445 B9R1.49 CN1CCNC(=O)CC1 Y10078 [0,0,0,0,0,2|1,0,1]=4 446 B9R1.48 C[C@H]1CC(=O)NCCN1 38322 [0,0,0,0,0,2|0,0,2]=4 447 B9R1.48 C[C@H]1CCCCC(=O)N1 W19298 [0,0,0,0,0,2|1,0,1]=4 448 B9R1.48 O=C1CCCNC(=O)C1 F12567 [0,0,0,0,0,2|1,0,1]=4