0 B6R1.2 CC1=NSC=C1 AC6637 [0,0,0,0,0,0|2,0,2]=4 1 B6R1.2 C[C@H]1CCNC1 71655 [0,0,0,0,0,0|2,0,1]=3 2 B6R1.2 ClC1=CSN=C1 F13704 [0,0,0,0,0,0|2,0,2]=4 3 B6R1.2 ClC1=NSC=C1 F19768 [0,0,0,0,0,0|2,0,2]=4 4 B6R1.2 ClC1=NSN=C1 AT12128 [0,0,0,0,0,0|3,0,1]=4 5 B6R1.2 FC1CCCC1 T71800 [0,0,0,0,0,0|2,0,1]=3 6 B6R1.2 F[C@H]1CCNC1 FD10498 [0,0,0,0,0,0|2,0,1]=3 7 B6R1.2 N=C1NCCN1 AT25110 [0,0,0,0,0,0|4,0,0]=4 8 B6R1.2 O=C1CCON1 A11072 [0,0,0,0,0,0|1,1,0]=2 9 B6R1.2 O=C1CNCN1 C15062 [0,0,0,0,0,0|2,0,0]=2 10 B6R1.2 O[C@H]1CNOC1 AT14847 [0,0,0,0,0,0|1,1,2]=4 11 B5R1.1 C1=NCCO1 F18129 [1,0,0,0,0,0|1,1,1]=4 12 B5R1.1 C1=NNCC1 F12428 [1,0,0,0,0,0|2,0,0]=3 13 B5R1.1 C1CNOC1 F14141 [1,0,0,0,0,0|1,1,1]=4 14 B7R1.1 CCC1CCCC1 T71889 [0,1,0,0,0,0|2,0,1]=4 15 B7R1.1 CN[C@H]1CCNC1 C14692 [0,1,0,0,0,0|2,0,1]=4 16 B7R1.1 CN[C@H]1CCOC1 P13110 [0,1,0,0,0,0|1,1,1]=4 17 B7R1.1 CN[C@H]1CCOC1 P13111 [0,1,0,0,0,0|1,1,1]=4 18 B7R1.1 CN[C@H]1CCSC1 D72867 [0,1,0,0,0,0|1,0,1]=3 19 B7R1.1 ClC[C@H]1CCOC1 N12624 [0,1,0,0,0,0|1,1,1]=4 20 B7R1.1 N#C[C@H]1CCNC1 P10379 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.1 NC[C@H]1CCOC1 68889 [0,1,0,0,0,0|1,1,1]=4 22 B7R1.1 NN[C@H]1CCOC1 91992 [0,1,0,0,0,0|1,1,1]=4 23 B7R1.1 NN[C@H]1CCOC1 C93321 [0,1,0,0,0,0|1,1,1]=4 24 B7R1.1 NN[C@H]1CCOC1 F15303 [0,1,0,0,0,0|1,1,1]=4 25 B7R1.1 NOC1CCCC1 97656 [0,1,0,0,0,0|1,0,2]=4 26 B7R1.1 O=CC1=CSN=C1 83208 [0,1,0,0,0,0|1,0,2]=4 27 B7R1.1 O=CC1=CSN=N1 A51062 [0,1,0,0,0,0|2,0,1]=4 28 B7R1.1 ONC1CCCC1 33366 [0,1,0,0,0,0|1,0,2]=4 29 B7R1.1 ONC1CCCC1 33756 [0,1,0,0,0,0|1,0,2]=4 30 B7R1.2 CC1CC(O)CN1 AT24888 [0,1,0,0,0,0|1,0,2]=4 31 B7R1.2 CC1CNC(C)C1 83923 [0,1,0,0,0,0|2,0,1]=4 32 B7R1.2 CN1CCC(=O)C1 64219 [0,1,0,0,0,0|1,0,0]=2 33 B7R1.2 CN1CC[C@H](N)C1 56133 [0,1,0,0,0,0|2,0,1]=4 34 B7R1.2 CN1CC[C@H](N)C1 AT11189 [0,1,0,0,0,0|2,0,1]=4 35 B7R1.2 C[C@@H]1CNC(=O)C1 P15842 [0,1,0,0,0,0|2,0,0]=3 36 B7R1.2 C[C@@H]1COC(=O)C1 AT23255 [0,1,0,0,0,0|2,0,0]=3 37 B7R1.2 C[C@@H]1C[C@H](F)CN1 73102 [0,1,0,0,0,0|2,0,1]=4 38 B7R1.2 C[C@H]1CC[C@@H](C)C1 T70658 [0,1,0,0,0,0|2,0,1]=4 39 B7R1.2 C[C@H]1CNC(=O)O1 C13778 [0,1,0,0,0,0|3,0,0]=4 40 B7R1.2 C[C@H]1COC(=O)N1 C77658 [0,1,0,0,0,0|3,0,0]=4 41 B7R1.2 C[C@H]1NCC(=O)N1 F31285 [0,1,0,0,0,0|2,0,0]=3 42 B7R1.2 C[C@H]1NCC(=O)N1 F31286 [0,1,0,0,0,0|2,0,0]=3 43 B7R1.2 N[C@H]1CCC(=O)C1 C14417 [0,1,0,0,0,0|1,0,0]=2 44 B7R1.2 N[C@H]1CC[C@H](F)C1 C93268 [0,1,0,0,0,0|2,0,1]=4 45 B7R1.2 N[C@H]1CC[C@H](F)C1 C93270 [0,1,0,0,0,0|2,0,1]=4 46 B7R1.2 O=C1C=C(O)CN1 F14818 [0,1,0,0,0,0|2,0,1]=4 47 B7R1.2 O=C1C=C[C@@H](O)C1 86326 [0,1,0,0,0,0|1,0,1]=3 48 B7R1.2 O=C1CCC(=S)N1 N13285 [0,1,0,0,0,0|2,0,0]=3 49 B7R1.2 O=C1CC[C@H](F)C1 P11910 [0,1,0,0,0,0|1,0,0]=2 50 B7R1.2 O=C1CNC(=O)S1 C15052 [0,1,0,0,0,0|2,0,1]=4 51 B7R1.2 O=C1CN[C@@H](S)S1 T72832 [0,1,0,0,0,0|2,0,0]=3 52 B7R1.2 O=C1C[C@H](S)CN1 39278 [0,1,0,0,0,0|2,0,0]=3 53 B7R1.2 O=C1NC(=S)CS1 D74680 [0,1,0,0,0,0|1,1,1]=4 54 B7R1.2 S=C1CCC(=S)N1 N13284 [0,1,0,0,0,0|2,1,0]=4 55 B7R1.4 CC1=C(C)CNC1 AT22666 [0,1,0,0,0,0|2,0,1]=4 56 B7R1.4 CC1CNCC1O 72148 [0,1,0,0,0,0|1,0,2]=4 57 B7R1.4 CC1CNCC1O AT22587 [0,1,0,0,0,0|1,0,2]=4 58 B7R1.4 C[C@@H]1CCC[C@@H]1N 97379 [0,1,0,0,0,0|2,0,1]=4 59 B7R1.4 C[C@@H]1CNC[C@@H]1N AT23641 [0,1,0,0,0,0|2,0,1]=4 60 B7R1.4 C[C@@H]1CNC[C@@H]1N F13020 [0,1,0,0,0,0|2,0,1]=4 61 B7R1.4 C[C@@H]1CNC[C@@H]1N F13021 [0,1,0,0,0,0|2,0,1]=4 62 B7R1.4 C[C@H]1CCNC1=O C74322 [0,1,0,0,0,0|2,0,0]=3 63 B7R1.4 C[C@H]1CNCC1=O F13737 [0,1,0,0,0,0|1,0,0]=2 64 B7R1.4 C[C@H]1COCC1=O AT13358 [0,1,0,0,0,0|0,1,0]=2 65 B7R1.4 F[C@H]1CNC[C@H]1F AT14980 [0,1,0,0,0,0|2,0,1]=4 66 B7R1.4 NC1CCCC1N 77840 [0,1,0,0,0,0|2,0,1]=4 67 B7R1.4 NC1COCC1O F19779 [0,1,0,0,0,0|0,1,2]=4 68 B7R1.4 N[C@@H]1CCC[C@@H]1O P12481 [0,1,0,0,0,0|1,0,2]=4 69 B7R1.4 N[C@@H]1COC[C@@H]1O F53614 [0,1,0,0,0,0|0,1,2]=4 70 B7R1.4 N[C@@H]1COC[C@@H]1O P17902 [0,1,0,0,0,0|0,1,2]=4 71 B7R1.4 N[C@H]1CCOC1=O S11138 [0,1,0,0,0,0|2,0,0]=3 72 B7R1.4 N[C@H]1COC[C@@H]1O P17884 [0,1,0,0,0,0|0,1,2]=4 73 B7R1.4 O=C1CCCC1=O AC2232 [0,1,0,0,0,0|1,0,1]=3 74 B7R1.4 OC1COCC1Br AC8201 [0,1,0,0,0,0|0,1,2]=4 75 B7R1.4 O[C@H]1CCC[C@@H]1O W19719 [0,1,0,0,0,0|1,0,2]=4 76 B7R1.4 O[C@H]1CNC[C@@H]1F P15635 [0,1,0,0,0,0|1,0,2]=4 77 B7R1.4 O[C@H]1CNC[C@@H]1O AT22802 [0,1,0,0,0,0|1,0,2]=4 78 B7R1.14 CC1(N)CCCC1 F50575 [0,1,0,0,0,0|2,0,1]=4 79 B7R1.14 C[C@]1(N)CCNC1 97388 [0,1,0,0,0,0|2,0,1]=4 80 B7R1.14 C[C@]1(N)CCOC1 AT12753 [0,1,0,0,0,0|1,1,1]=4 81 B5R0.1 C=C(C)CCC D91296 [0,0,1,0,0,0|2,0,0]=3 82 B5R0.1 C=CCC(=C)C T72918 [0,0,1,0,0,0|2,0,1]=4 83 B5R0.1 CC#CC(C)=O AC8567 [0,0,1,0,0,0|1,0,1]=3 84 B5R0.1 CC(=O)CCBr D82681 [0,0,1,0,0,0|1,0,0]=2 85 B5R0.1 CCC[C@H](C)N N10856 [0,0,1,0,0,0|2,0,1]=4 86 B5R0.1 CCC[C@H](C)N N15476 [0,0,1,0,0,0|2,0,1]=4 87 B5R0.1 CN(C)CCBr F20843 [0,0,1,0,0,0|3,0,0]=4 88 B5R0.1 CNCC(C)=O 72642 [0,0,1,0,0,0|1,0,0]=2 89 B5R0.1 CONC(C)=O AT24901 [0,0,1,0,0,0|1,1,0]=3 90 B5R0.1 CONC(N)=O AT24902 [0,0,1,0,0,0|2,1,0]=4 91 B5R0.1 CSC[C@H](C)N AT10784 [0,0,1,0,0,0|1,0,1]=3 92 B5R0.1 C[C@H](N)CCO 83613 [0,0,1,0,0,0|1,1,1]=4 93 B5R0.1 C[C@H](N)CCO 83649 [0,0,1,0,0,0|1,1,1]=4 94 B5R0.1 C[C@H](O)CCN D77181 [0,0,1,0,0,0|1,0,2]=4 95 B5R0.1 C[C@H](O)CCN D77194 [0,0,1,0,0,0|1,0,2]=4 96 B5R0.1 C[S@](=O)CCN AT24516 [0,0,1,0,0,0|2,0,0]=3 97 B5R0.1 C[S@](=O)CCN AT24517 [0,0,1,0,0,0|2,0,0]=3 98 B5R0.1 C[S@](=O)CCO E72546 [0,0,1,0,0,0|1,1,0]=3 99 B5R0.1 C\C(I)=C/CI AC6903 [0,0,1,0,0,0|2,0,1]=4 100 B5R0.1 N#CCC(=O)Cl 79959 [0,0,1,0,0,0|2,0,1]=4 101 B5R0.1 N=C(N)CCO AT21673 [0,0,1,0,0,0|2,1,0]=4 102 B5R0.1 NCCC(=O)O T70551 [0,0,1,0,0,0|2,0,0]=3 103 B5R0.1 NCCC(N)=O AC6190 [0,0,1,0,0,0|2,0,0]=3 104 B5R0.1 NCC[N+](=O)[O-] AT10581 [0,0,1,0,0,0|3,0,0]=4 105 B5R0.1 NCC[P@H](=O)O S12399 [0,0,1,0,0,0|3,0,0]=4 106 B5R0.1 [2H]C(=O)OCC D98566 [0,0,1,0,0,0|3,0,0]=4 107 B5R0.2 C#CCCOC AC9661 [0,0,1,0,0,0|1,1,1]=4 108 B5R0.2 C#CCNCC AT19974 [0,0,1,0,0,0|2,0,1]=4 109 B5R0.2 C=CCCC#N C16042 [0,0,1,0,0,0|3,0,0]=4 110 B5R0.2 C=CCCON S12259 [0,0,1,0,0,0|2,1,0]=4 111 B5R0.2 CCCCNN AC6660 [0,0,1,0,0,0|3,0,0]=4 112 B5R0.2 CCCCNO AT14838 [0,0,1,0,0,0|2,0,1]=4 113 B5R0.2 CNCCSC D87904 [0,0,1,0,0,0|2,0,0]=3 114 B5R0.2 COCCNN AC7088 [0,0,1,0,0,0|2,1,0]=4 115 B5R0.2 [2H]OCCCC D98922 [0,0,1,0,0,0|3,0,0]=4 116 B5R0.3 C=C(CC)CBr C77504 [0,0,1,0,0,0|2,0,0]=3 117 B5R0.3 C=C(CC)CC D90428 [0,0,1,0,0,0|2,0,0]=3 118 B5R0.3 CCC(=O)CCl AT22640 [0,0,1,0,0,0|1,0,0]=2 119 B5R0.3 CCP(Cl)CC A12755 [0,0,1,0,0,0|3,0,0]=4 120 B5R0.3 CC[C@H](C)CBr D86395 [0,0,1,0,0,0|2,0,1]=4 121 B5R0.3 CC[C@H](C)CN 88661 [0,0,1,0,0,0|2,0,1]=4 122 B5R0.3 CC[C@H](C)CO 88660 [0,0,1,0,0,0|1,1,1]=4 123 B5R0.3 CNC(=O)NN A50867 [0,0,1,0,0,0|3,0,0]=4 124 B5R0.3 COC(=N)CCl H10399 [0,0,1,0,0,0|3,0,0]=4 125 B5R0.3 [2H]N(CC)CC D98468 [0,0,1,0,0,0|3,0,0]=4 126 B7R2.13 C1CC2CC2N1 P10693 [0,0,0,1,0,0|2,0,1]=4 127 B5R1.2 C[C@H]1CCN1 71554 [0,0,0,0,1,0|2,0,1]=4 128 B5R1.2 FC1CNC1 31039 [0,0,0,0,1,0|2,0,1]=4 129 B5R1.2 IC1CNC1 P11673 [0,0,0,0,1,0|2,0,1]=4 130 B5R1.2 NC1CNC1 AC2715 [0,0,0,0,1,0|2,0,1]=4 131 B5R1.2 O=C1CNC1 D87722 [0,0,0,0,1,0|1,0,0]=2 132 B7R1.3 BrC1=CCCNC1 D85784 [0,0,0,0,0,1|2,0,0]=3 133 B7R1.3 Br[C@H]1CCCNC1 C14028 [0,0,0,0,0,1|2,0,1]=4 134 B7R1.3 C=C1CCCNC1 W15931 [0,0,0,0,0,1|2,0,0]=3 135 B7R1.3 C=C1CCNCC1 33821 [0,0,0,0,0,1|2,0,0]=3 136 B7R1.3 CC1=CCOCC1 F17726 [0,0,0,0,0,1|1,1,0]=3 137 B7R1.3 C[C@H]1CCCCN1 N14212 [0,0,0,0,0,1|2,0,1]=4 138 B7R1.3 C[C@H]1CCCNC1 F14484 [0,0,0,0,0,1|2,0,1]=4 139 B7R1.3 C[C@H]1CNCCS1 AT10751 [0,0,0,0,0,1|2,0,1]=4 140 B7R1.3 C[C@H]1CNCCS1 AT25278 [0,0,0,0,0,1|2,0,1]=4 141 B7R1.3 C[C@H]1CSCCN1 AT10756 [0,0,0,0,0,1|1,0,1]=3 142 B7R1.3 C[C@H]1CSCCN1 AT10759 [0,0,0,0,0,1|1,0,1]=3 143 B7R1.3 ClC1=CCCCC1 FD10699 [0,0,0,0,0,1|2,0,0]=3 144 B7R1.3 NN1CCNCC1 I10257 [0,0,0,0,0,1|3,0,0]=4 145 B7R1.3 NN1CCNCC1 P19252 [0,0,0,0,0,1|3,0,0]=4 146 B7R1.3 N[C@@H]1CC=CCC1 AB8978 [0,0,0,0,0,1|2,0,1]=4 147 B7R1.3 N[C@H]1CCCOC1 F31015 [0,0,0,0,0,1|1,1,1]=4 148 B7R1.3 N[C@H]1CCCOC1 P11042 [0,0,0,0,0,1|1,1,1]=4 149 B7R1.3 O=C1C=NCN=C1 36727 [0,0,0,0,0,1|1,0,2]=4 150 B7R1.3 O=S1CCOCC1 A51207 [0,0,0,0,0,1|1,1,0]=3 151 B7R1.3 OC1=CN=NCC1 S11490 [0,0,0,0,0,1|1,0,2]=4 152 B7R1.3 S=C1CCCCC1 N16924 [0,0,0,0,0,1|1,1,0]=3 153 B4R0.1 CC(=O)CN D87844 [1,0,1,0,0,0|1,0,0]=3 154 B4R0.1 CC[13C](=O)O D99417 [1,0,1,0,0,0|0,1,0]=3 155 B4R0.1 CC[C@H](C)N 90231 [1,0,1,0,0,0|1,0,1]=4 156 B4R0.1 CC[C@H](C)N N12286 [1,0,1,0,0,0|1,0,1]=4 157 B4R0.1 CC[C@H](C)N N12342 [1,0,1,0,0,0|1,0,1]=4 158 B4R0.1 C[C@H](S)CS T72965 [1,0,1,0,0,0|0,1,1]=4 159 B4R0.1 NCC(N)=O FD21645 [1,0,1,0,0,0|2,0,0]=4 160 B4R0.1 [15NH2]CC(=O)O 41444 [1,0,1,0,0,0|1,1,0]=4 161 B4R0.1 [2H]C(=O)NC D99232 [1,0,1,0,0,0|2,0,0]=4 162 B4R0.1 [2H]C(=O)OC D99666 [1,0,1,0,0,0|1,1,0]=4 163 B4R0.2 C#CCSC AT19944 [1,0,1,0,0,0|0,0,2]=4 164 B4R0.2 C=C=CCC T72673 [1,0,1,0,0,0|1,0,1]=4 165 B4R0.2 C=CCCI C77576 [1,0,1,0,0,0|1,0,1]=4 166 B4R0.2 C=CCCN AT25938 [1,0,1,0,0,0|1,0,1]=4 167 B4R0.2 CCNCC T70517 [1,0,1,0,0,0|1,0,1]=4 168 B4R0.2 CC\C=C\Br F11593 [1,0,1,0,0,0|1,0,1]=4 169 B4R0.2 CNCCS AT25552 [1,0,1,0,0,0|1,0,0]=3 170 B4R0.2 COCCS AT13674 [1,0,1,0,0,0|1,0,0]=3 171 B4R0.2 [2H]OCCC D99167 [1,0,1,0,0,0|2,0,0]=4 172 B6R0.1 CCNC(=O)OC C16084 [0,1,1,0,0,0|2,0,0]=4 173 B6R0.1 COCC(=O)CCl D85993 [0,1,1,0,0,0|0,1,0]=3 174 B6R0.1 COCC(=O)OC F53343 [0,1,1,0,0,0|0,1,0]=3 175 B6R0.1 CONC(=O)CCl AT14830 [0,1,1,0,0,0|1,1,0]=4 176 B6R0.1 CSC[C@@H](N)CO 96818 [0,1,1,0,0,0|1,0,1]=4 177 B6R0.1 CSC[C@@H](N)CO 96819 [0,1,1,0,0,0|1,0,1]=4 178 B6R0.1 O=C(CCCl)NO AC8818 [0,1,1,0,0,0|2,0,0]=4 179 B6R0.2 CC(=O)C[N+](=O)[O-] 93726 [0,1,1,0,0,0|1,1,0]=4 180 B6R0.3 CC(=O)[C@@H](Br)C=O 74260 [0,1,1,0,0,0|0,1,1]=4 181 B6R0.3 CC[C@H](S)C(=O)O F11548 [0,1,1,0,0,0|2,0,0]=4 182 B6R0.3 C[C@@H](CN)C(=O)O 32005 [0,1,1,0,0,0|2,0,0]=4 183 B6R0.3 NC(=O)[C@@H](N)CO D75097 [0,1,1,0,0,0|1,1,0]=4 184 B6R0.3 NC(=O)[C@@H](N)CO D75099 [0,1,1,0,0,0|1,1,0]=4 185 B6R0.3 NC[C@H](F)C(=O)O 94840 [0,1,1,0,0,0|2,0,0]=4 186 B6R0.3 NC[C@H](F)C(=O)O 94844 [0,1,1,0,0,0|2,0,0]=4 187 B6R0.3 NC[C@H](F)C(=O)O 94847 [0,1,1,0,0,0|2,0,0]=4 188 B6R0.3 N[C@@H](CCl)C(=O)O FD21125 [0,1,1,0,0,0|2,0,0]=4 189 B6R0.3 O=C(O)[C@@H](Br)CF AT22926 [0,1,1,0,0,0|2,0,0]=4 190 B6R0.3 O=C(O)[C@@H](Cl)CO 21136 [0,1,1,0,0,0|1,1,0]=4 191 B6R0.3 [15NH2][C@@H](CO)C(=O)O 41392 [0,1,1,0,0,0|1,1,0]=4 192 B6R0.4 C=C(C)CCCO 71061 [0,1,1,0,0,0|1,1,0]=4 193 B6R0.4 CC#CCC(=O)O AT21835 [0,1,1,0,0,0|2,0,0]=4 194 B6R0.4 CC(C)OCCS AT13760 [0,1,1,0,0,0|1,0,1]=4 195 B6R0.4 CCNCC(=O)O T72729 [0,1,1,0,0,0|2,0,0]=4 196 B6R0.4 CCONC(C)=O AT24904 [0,1,1,0,0,0|1,1,0]=4 197 B6R0.4 CNCCC(N)=O C78256 [0,1,1,0,0,0|2,0,0]=4 198 B6R0.4 COCOC(C)=O D72003 [0,1,1,0,0,0|0,1,0]=3 199 B6R0.4 NC(=O)CCCO AT20755 [0,1,1,0,0,0|1,1,0]=4 200 B6R0.4 NCCCC(=O)O T70552 [0,1,1,0,0,0|2,0,0]=4 201 B6R0.4 NCCCC(N)=O AC5898 [0,1,1,0,0,0|2,0,0]=4 202 B6R0.4 NOCCC(=O)O AT14539 [0,1,1,0,0,0|1,1,0]=4 203 B6R0.4 O=C(Cl)OCCF AT25498 [0,1,1,0,0,0|2,0,0]=4 204 B6R0.6 C#CCSCCN AT19952 [0,1,1,0,0,0|1,0,1]=4 205 B6R0.6 C#CCSCCO AT19948 [0,1,1,0,0,0|1,0,1]=4 206 B6R0.6 C=CCSCCN AT25545 [0,1,1,0,0,0|1,0,0]=3 207 B6R0.6 CCNCCSC AT25567 [0,1,1,0,0,0|1,0,1]=4 208 B6R0.6 CCO\C=C\C=O F18326 [0,1,1,0,0,0|0,1,1]=4 209 B6R0.6 COCCN=C=O D87777 [0,1,1,0,0,0|0,1,1]=4 210 B6R0.6 CSCCN=C=S AT25553 [0,1,1,0,0,0|0,1,1]=4 211 B6R0.6 NCCSCCO AT25550 [0,1,1,0,0,0|0,0,2]=4 212 B6R0.6 O=CNCCCO AC9004 [0,1,1,0,0,0|2,0,0]=4 213 B6R1.4 CC1CCC1N W15200 [0,1,0,0,1,0|1,0,1]=4 214 B6R1.4 N[C@H]1CC[C@@H]1O AT10977 [0,1,0,0,1,0|0,0,2]=4 215 B6R1.5 C[C@H]1CC(=O)N1 D72859 [0,1,0,0,1,0|1,0,0]=3 216 B6R1.5 NC1CC(=O)C1 D78737 [0,1,0,0,1,0|0,0,0]=2 217 B6R1.5 NC1CC(Cl)C1 AT13059 [0,1,0,0,1,0|1,0,1]=4 218 B6R1.5 NC1CC(F)C1 P12018 [0,1,0,0,1,0|1,0,1]=4 219 B6R1.5 N[C@H]1C[C@@H](Br)C1 AT13083 [0,1,0,0,1,0|1,0,1]=4 220 B6R1.5 N[C@H]1C[C@@H](O)C1 29968 [0,1,0,0,1,0|0,0,2]=4 221 B6R1.5 O[C@H]1C[C@H](Br)C1 AT12400 [0,1,0,0,1,0|0,0,2]=4 222 B6R1.6 N#CC1CSC1 56781 [0,1,0,0,1,0|1,0,1]=4 223 B6R1.6 NOC1CCC1 97653 [0,1,0,0,1,0|0,0,2]=4 224 B6R1.10 O=S1(=O)CCC1 A12652 [0,1,0,0,1,0|1,0,0]=3 225 B8R1.2 CNC1CCSCC1 AT10410 [0,1,0,0,0,1|1,0,1]=4 226 B8R1.2 O=CC1CCNCC1 62056 [0,1,0,0,0,1|1,0,1]=4 227 B8R1.3 C=C1CCC(=O)CC1 57377 [0,1,0,0,0,1|1,0,0]=3 228 B8R1.3 C[C@H]1CNC(=O)CO1 AT13719 [0,1,0,0,0,1|0,1,0]=3 229 B8R1.3 C[C@H]1CNC(=O)CO1 AT13722 [0,1,0,0,0,1|0,1,0]=3 230 B8R1.3 N[C@H]1CCC(=O)NC1 70845 [0,1,0,0,0,1|1,0,0]=3 231 B8R1.3 O=C1CCC(=O)NN1 D87745 [0,1,0,0,0,1|2,0,0]=4 232 B8R1.3 O=C1CCC(Br)CC1 C77503 [0,1,0,0,0,1|1,0,0]=3 233 B8R1.3 O=C1COC(=O)CN1 P10244 [0,1,0,0,0,1|0,1,1]=4 234 B8R1.4 CC1CSCC(C)N1 AT10826 [0,1,0,0,0,1|1,0,1]=4 235 B8R1.4 CN1CCC=C(Br)C1 S11379 [0,1,0,0,0,1|2,0,0]=4 236 B8R1.4 CN1CCCC(=O)C1 C14007 [0,1,0,0,0,1|1,0,0]=3 237 B8R1.4 C[C@H]1CC(=O)C=CO1 F50263 [0,1,0,0,0,1|0,1,1]=4 238 B8R1.4 C[C@H]1CC(=O)CCN1 W10112 [0,1,0,0,0,1|1,0,0]=3 239 B8R1.4 C[C@H]1CCCC(=O)C1 90784 [0,1,0,0,0,1|1,0,0]=3 240 B8R1.4 C[C@H]1CCCC(=O)N1 90463 [0,1,0,0,0,1|1,0,0]=3 241 B8R1.4 C[C@H]1CNCC(=O)N1 P13905 [0,1,0,0,0,1|1,0,0]=3 242 B8R1.4 N[C@@H]1COCC(=O)C1 F51972 [0,1,0,0,0,1|0,1,0]=3 243 B8R1.4 O=C1C=C(Cl)CCC1 D86029 [0,1,0,0,0,1|1,0,1]=4 244 B8R1.4 O=C1CCC[C@H](O)C1 P16037 [0,1,0,0,0,1|1,0,0]=3 245 B8R1.4 O=C1CSCC(=O)N1 AT12015 [0,1,0,0,0,1|0,0,1]=3 246 B8R1.4 O=C1C[C@@H](F)CCN1 P19310 [0,1,0,0,0,1|1,0,0]=3 247 B8R1.5 C=C1CCCNC1=O D80229 [0,1,0,0,0,1|1,0,1]=4 248 B8R1.5 CC1NCCSC1C AT25273 [0,1,0,0,0,1|1,0,1]=4 249 B8R1.5 CN1CCCCC1=O C16744 [0,1,0,0,0,1|1,0,0]=3 250 B8R1.5 CN1CCSCC1=O AT12016 [0,1,0,0,0,1|0,0,0]=2 251 B8R1.5 C[C@H]1CCNCC1=O P13522 [0,1,0,0,0,1|1,0,0]=3 252 B8R1.5 C[C@H]1CCOCC1=O F53480 [0,1,0,0,0,1|0,1,0]=3 253 B8R1.5 N[C@H]1CCCNC1=O 51548 [0,1,0,0,0,1|1,0,0]=3 254 B8R1.5 O=C1CCCC=C1I 62778 [0,1,0,0,0,1|1,0,1]=4 255 B8R1.5 O=C1CCNC[C@@H]1Br F13559 [0,1,0,0,0,1|1,0,0]=3 256 B8R1.5 O=C1CCNC[C@@H]1Br F13560 [0,1,0,0,0,1|1,0,0]=3 257 B8R1.5 O=C1CCNC[C@@H]1F P11685 [0,1,0,0,0,1|1,0,0]=3 258 B8R1.5 O=C1NCCNC1=O AT12017 [0,1,0,0,0,1|1,0,1]=4 259 B8R1.5 O=C1OCCC=C1Br AC2797 [0,1,0,0,0,1|1,0,1]=4 260 B8R1.72 N=S1(=O)CCCCC1 AT11345 [0,1,0,0,0,1|2,0,0]=4 261 B8R1.72 N=S1(=O)CCNCC1 AT25289 [0,1,0,0,0,1|2,0,0]=4 262 B8R1.72 N=S1(=O)CCOCC1 AT25738 [0,1,0,0,0,1|1,1,0]=4 263 B8R1.72 O=S1(=O)COCCN1 P10864 [0,1,0,0,0,1|1,1,0]=4 264 B8R1.1 C=C[C@@H]1COC(=O)C1 88424 [0,2,0,0,0,0|2,0,0]=4 265 B8R1.1 CC[C@@H]1CNC(=O)C1 P10810 [0,2,0,0,0,0|2,0,0]=4 266 B8R1.1 CC[C@H]1CCC(=O)C1 W18649 [0,2,0,0,0,0|1,0,0]=3 267 B8R1.1 CC[C@H]1CCC(=O)N1 D72846 [0,2,0,0,0,0|2,0,0]=4 268 B8R1.1 CN[C@@H]1COC(=O)C1 P12585 [0,2,0,0,0,0|2,0,0]=4 269 B8R1.1 N#CC1=CC(=O)CC1 F18198 [0,2,0,0,0,0|1,0,1]=4 270 B8R1.1 O=C1CC[C@H](CBr)O1 C12574 [0,2,0,0,0,0|2,0,0]=4 271 B8R1.1 O=C1CC[C@H](CI)N1 AT14276 [0,2,0,0,0,0|2,0,0]=4 272 B8R1.1 O=C1CC[C@H](CO)C1 D97067 [0,2,0,0,0,0|1,0,0]=3 273 B8R1.1 O=C1C[C@H](CBr)CN1 AC8640 [0,2,0,0,0,0|2,0,0]=4 274 B8R1.7 CC(=O)C1=NCCC1 H10253 [0,2,0,0,0,0|2,0,0]=4 275 B8R1.7 CC(=O)[C@H]1CCNC1 78818 [0,2,0,0,0,0|1,0,1]=4 276 B8R1.7 NC(=O)[C@H]1CCNC1 P11232 [0,2,0,0,0,0|1,0,1]=4 277 B8R1.7 O=C(Cl)[C@H]1CCOC1 A12769 [0,2,0,0,0,0|0,1,1]=4 278 B8R1.7 O=[N+]([O-])C1=NOCC1 C71399 [0,2,0,0,0,0|1,1,0]=4 279 B8R1.8 O=CCN1CCCC1 AC9721 [0,2,0,0,0,0|2,0,0]=4 280 B8R1.11 CC[C@H]1CCNC1=O AT18851 [0,2,0,0,0,0|2,0,0]=4 281 B8R1.11 CO[C@H]1CCCC1=O AT25997 [0,2,0,0,0,0|1,0,0]=3 282 B8R1.52 N[C@@]1(CO)CCSC1 AT23900 [0,2,0,0,0,0|0,0,2]=4 283 B8R1.18 CC1CC(=O)OC1C AC8330 [0,2,0,0,0,0|2,0,0]=4 284 B8R1.18 CC1CC(=O)OC1O S10278 [0,2,0,0,0,0|2,0,0]=4 285 B8R1.18 CC1NC(=O)CC1O 94943 [0,2,0,0,0,0|2,0,0]=4 286 B8R1.18 CN1C[C@@H](I)CC1=O D79270 [0,2,0,0,0,0|2,0,0]=4 287 B8R1.18 CN1C[C@@H](N)CC1=O AT19106 [0,2,0,0,0,0|2,0,0]=4 288 B8R1.18 C[C@@H]1SC(=O)NC1=O D73569 [0,2,0,0,0,0|1,0,1]=4 289 B8R1.18 C[C@H]1CC(=O)N(C)C1 F18257 [0,2,0,0,0,0|2,0,0]=4 290 B8R1.18 N[C@H]1CC(=O)NC1=O AT18952 [0,2,0,0,0,0|2,0,0]=4 291 B8R1.18 N[C@H]1CC(=O)NC1=O AT18959 [0,2,0,0,0,0|2,0,0]=4 292 B8R1.18 N[C@H]1CC(=O)NC1=O AT18960 [0,2,0,0,0,0|2,0,0]=4 293 B8R1.18 N[C@H]1SC(=O)NC1=O W10077 [0,2,0,0,0,0|1,0,1]=4 294 B8R1.50 CC1C(=O)NCC1O 94942 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.50 CC1CCC(C)C1=O F12414 [0,2,0,0,0,0|1,0,0]=3 296 B8R1.50 CN1CC[C@H](N)C1=O D97088 [0,2,0,0,0,0|2,0,0]=4 297 B8R1.50 CN1CC[C@H](O)C1=O AT18763 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.50 N[C@H]1CCN(O)C1=O 51422 [0,2,0,0,0,0|2,0,0]=4 299 B8R1.50 O=C1CCC(Br)=C1I 97935 [0,2,0,0,0,0|1,0,1]=4 300 B8R1.50 O=C1CCC(O)=C1F P19516 [0,2,0,0,0,0|1,0,1]=4 301 B8R1.51 CC1(C)CC(=O)CO1 P20320 [0,2,0,0,0,0|0,1,0]=3 302 B8R1.51 CC1(C)CC(=O)CS1 31047 [0,2,0,0,0,0|0,0,0]=2 303 B8R1.51 N[C@H]1CCS(=O)(=O)C1 P10035 [0,2,0,0,0,0|2,0,0]=4 304 B8R1.51 O=C1CCS(=O)(=O)N1 AT12404 [0,2,0,0,0,0|1,0,1]=4 305 B8R1.51 O=S1(=O)CC[C@H](Br)C1 AC8639 [0,2,0,0,0,0|2,0,0]=4 306 B6R1.11 C=C(C)[C@@H]1CO1 S11333 [0,0,1,1,0,0|1,1,0]=4 307 B6R1.11 O=C(O)[C@@H]1CO1 C10184 [0,0,1,1,0,0|1,1,0]=4 308 B8R2.38 O=C1CC[C@@H]2C[C@H]12 97893 [0,0,0,1,0,1|1,0,0]=3 309 B8R2.38 O=C1NC[C@@H]2C[C@H]12 H11212 [0,0,0,1,0,1|1,0,0]=3