0 B6R1.1 C1COCCN1 M12430 [0,0,0,0,0,0|1,0,0]=1 1 B6R1.1 C1CSCCN1 T4979 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1CCCCN1 B7610 [0,1,0,0,0,0|0,0,0]=1 3 B7R1.3 BrC1CCCNC1 B7611 [0,1,0,0,0,0|0,0,0]=1 4 B7R1.3 CC1CCCCN1 M6451 [0,1,0,0,0,0|0,0,0]=1 5 B7R1.3 CC1CCCNC1 P3032 [0,1,0,0,0,0|0,0,0]=1 6 B7R1.3 CC1CCNCC1 M11273 [0,1,0,0,0,0|0,0,0]=1 7 B7R1.3 CN1CCCCC1 M3042 [0,1,0,0,0,0|0,0,0]=1 8 B7R1.3 CN1CCNCC1 M12431 [0,1,0,0,0,0|1,0,0]=2 9 B7R1.3 CN1CCOCC1 C2066 [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 C[C@@H]1CNCCN1 R6055 [0,1,0,0,0,0|1,0,0]=2 11 B7R1.3 C[C@H]1CCCCN1 M3041 [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 ClC1CCNCC1 C7399 [0,1,0,0,0,0|0,0,0]=1 13 B7R1.3 FC1CCNCC1 F12346 [0,1,0,0,0,0|0,0,0]=1 14 B7R1.3 NC1CCCNC1 A11018 [0,1,0,0,0,0|0,0,0]=1 15 B7R1.3 NC1CCCNC1 P19410 [0,1,0,0,0,0|0,0,0]=1 16 B7R1.3 NC1CCCNC1 P7273 [0,1,0,0,0,0|0,0,0]=1 17 B7R1.3 NC1CCNCC1 A2317 [0,1,0,0,0,0|0,0,0]=1 18 B7R1.3 NC1CCNCC1 A8187 [0,1,0,0,0,0|0,0,0]=1 19 B7R1.3 NC1CCOCC1 A16695 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 NC1CCOCC1 T11516 [0,1,0,0,0,0|1,0,0]=2 21 B7R1.3 NN1CCCCC1 A3686 [0,1,0,0,0,0|0,0,0]=1 22 B7R1.3 N[C@@H]1CCCNC1 A3658 [0,1,0,0,0,0|0,0,0]=1 23 B7R1.3 N[C@H]1CCCNC1 A11799 [0,1,0,0,0,0|0,0,0]=1 24 B7R1.3 O=C1C=CCCC1 C17765 [0,1,0,0,0,0|1,0,2]=4 25 B7R1.3 O=C1CCNCC1 P3649 [0,1,0,0,0,0|0,0,1]=2 26 B7R1.3 O=C1CCNCC1 P7276 [0,1,0,0,0,0|0,0,1]=2 27 B7R1.3 O=C1CCOCC1 T11055 [0,1,0,0,0,0|1,0,1]=3 28 B7R1.3 O=C1CNCCN1 P12440 [0,1,0,0,0,0|1,0,1]=3 29 B7R1.3 OC1CCCNC1 H6045 [0,1,0,0,0,0|0,0,0]=1 30 B7R1.3 OC1CCCNC1 P11038 [0,1,0,0,0,0|0,0,0]=1 31 B7R1.3 OC1CCNCC1 H0402 [0,1,0,0,0,0|0,0,0]=1 32 B7R1.3 OC1CCNCC1 H0402 [0,1,0,0,0,0|0,0,0]=1 33 B7R1.3 OC1CCNCC1 H5175 [0,1,0,0,0,0|0,0,0]=1 34 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,0,0,0|0,0,0]=1 35 B7R1.3 O[C@@H]1CCCNC1 R6046 [0,1,0,0,0,0|0,0,0]=1 36 B7R1.3 O[C@H]1CCCNC1 P3031 [0,1,0,0,0,0|0,0,0]=1 37 B5R0.2 CNCCCN M14932 [0,0,1,0,0,0|1,0,0]=2 38 B5R0.2 N#CCCNN C12725 [0,0,1,0,0,0|2,0,1]=4 39 B5R0.2 NCCCCO A18122 [0,0,1,0,0,0|1,0,0]=2 40 B5R0.2 OCCCCBr B18469 [0,0,1,0,0,0|2,0,0]=3 41 B5R1.1 C1=CCNC1 P12964 [0,0,0,0,1,0|0,0,2]=3 42 B4R0.2 BrCCCBr D18864 [1,0,1,0,0,0|2,0,0]=4 43 B4R0.2 NCCCCl C18780 [1,0,1,0,0,0|1,0,0]=3 44 B4R0.2 NCCCO A18882 [1,0,1,0,0,0|1,0,0]=3 45 B4R0.2 NNCCO H13045 [1,0,1,0,0,0|2,0,0]=4 46 B6R0.1 C=CC(O)CCN A15818 [0,1,1,0,0,0|0,0,2]=4 47 B6R0.1 CCCC(N)CO A18883 [0,1,1,0,0,0|1,0,0]=3 48 B6R0.1 CCOC(=O)CN A14488 [0,1,1,0,0,0|1,0,1]=4 49 B6R0.1 CNCC(=O)OC M5408 [0,1,1,0,0,0|1,0,1]=4 50 B6R0.1 COCC(N)CO A15709 [0,1,1,0,0,0|2,0,0]=4 51 B6R0.1 COCC(O)CN A13295 [0,1,1,0,0,0|1,0,0]=3 52 B6R0.1 COC[C@H](O)CN A15357 [0,1,1,0,0,0|1,0,0]=3 53 B6R0.1 OCC[C@@H](O)CO B7203 [0,1,1,0,0,0|2,0,0]=4 54 B6R0.4 CCC#CC(C)O H5925 [0,1,1,0,0,0|1,0,1]=4 55 B6R0.4 CCCCB(O)O B0514 [0,1,1,0,0,0|2,0,0]=4 56 B6R0.4 CN(C)CCCN D2364 [0,1,1,0,0,0|1,0,0]=3 57 B6R0.4 COCCC(=N)N M13848 [0,1,1,0,0,0|1,0,1]=4 58 B6R0.4 NCCCC(=O)O A19243 [0,1,1,0,0,0|1,0,1]=4 59 B6R0.6 CCCCCCBr S19038 [0,1,1,0,0,0|1,0,0]=3 60 B6R0.6 ICCOCCI I12663 [0,1,1,0,0,0|2,0,0]=4 61 B6R1.2 CC1CCNC1 M17094 [0,1,0,0,1,0|0,0,0]=2 62 B6R1.2 C[C@@H]1CCCN1 M7218 [0,1,0,0,1,0|0,0,0]=2 63 B6R1.2 C[C@H]1CCCN1 M3036 [0,1,0,0,1,0|0,0,0]=2 64 B6R1.2 F[C@H]1CCNC1 F12344 [0,1,0,0,1,0|0,0,0]=2 65 B6R1.2 N[C@@H]1CCNC1 A13883 [0,1,0,0,1,0|0,0,0]=2 66 B6R1.2 N[C@@H]1CCNC1 P6035 [0,1,0,0,1,0|0,0,0]=2 67 B6R1.2 N[C@H]1CCNC1 A6036 [0,1,0,0,1,0|0,0,0]=2 68 B6R1.2 N[C@H]1CCOC1 A19174 [0,1,0,0,1,0|1,0,0]=3 69 B6R1.2 O=C1CCSC1 T11319 [0,1,0,0,1,0|1,0,1]=4 70 B6R1.2 O=C1CC[NH2+]N1 P12961 [0,1,0,0,1,0|1,0,1]=4 71 B6R1.2 O=C1NCCO1 O11604 [0,1,0,0,1,0|1,0,1]=4 72 B6R1.2 O[C@@H]1CCNC1 P4795 [0,1,0,0,1,0|0,0,0]=2 73 B6R1.2 O[C@@H]1CCNC1 P4796 [0,1,0,0,1,0|0,0,0]=2 74 B6R1.2 O[C@@H]1CCOC1 H7200 [0,1,0,0,1,0|1,0,0]=3 75 B6R1.2 O[C@H]1CCNC1 H6043 [0,1,0,0,1,0|0,0,0]=2 76 B6R1.2 O[C@H]1CCNC1 H6043 [0,1,0,0,1,0|0,0,0]=2 77 B6R1.2 O[C@H]1CCNC1 P6678 [0,1,0,0,1,0|0,0,0]=2 78 B6R1.2 O[C@H]1CCOC1 H2612 [0,1,0,0,1,0|1,0,0]=3 79 B8R1.22 CC1CCNCCN1 M15502 [0,1,0,0,0,1|0,0,0]=2 80 B8R1.22 CN1CCCNCC1 M3447 [0,1,0,0,0,1|0,0,0]=2 81 B8R1.22 NC1CCCCNC1 A18228 [0,1,0,0,0,1|0,0,0]=2 82 B8R1.2 BrCC1CCCCC1 B12603 [0,2,0,0,0,0|1,0,0]=3 83 B8R1.2 BrCC1CCNCC1 B18444 [0,2,0,0,0,0|0,0,0]=2 84 B8R1.2 BrCC1CCOCC1 B8153 [0,2,0,0,0,0|1,0,0]=3 85 B8R1.2 CCC1CCCCN1 E3360 [0,2,0,0,0,0|0,0,0]=2 86 B8R1.2 CCC1CNCCN1 E5557 [0,2,0,0,0,0|1,0,0]=3 87 B8R1.2 CCC1CNCCO1 E17046 [0,2,0,0,0,0|1,0,0]=3 88 B8R1.2 CNC1CCCCC1 M18798 [0,2,0,0,0,0|1,0,0]=3 89 B8R1.2 CNC1CCCNC1 M8469 [0,2,0,0,0,0|0,0,0]=2 90 B8R1.2 COC1CCCNC1 M14733 [0,2,0,0,0,0|0,0,0]=2 91 B8R1.2 ClCN1CCCCC1 C5727 [0,2,0,0,0,0|0,0,0]=2 92 B8R1.2 N#CC1CCCCN1 C18890 [0,2,0,0,0,0|0,0,0]=2 93 B8R1.2 N#CC1CCCNC1 P12459 [0,2,0,0,0,0|0,0,0]=2 94 B8R1.2 N#CC1CCNCC1 C3193 [0,2,0,0,0,0|0,0,0]=2 95 B8R1.2 NCC1CCCCN1 A4969 [0,2,0,0,0,0|0,0,0]=2 96 B8R1.2 NCC1CCCNC1 A18064 [0,2,0,0,0,0|0,0,0]=2 97 B8R1.2 NCC1CCCNC1 A1819 [0,2,0,0,0,0|0,0,0]=2 98 B8R1.2 NCC1CCNCC1 A10917 [0,2,0,0,0,0|0,0,0]=2 99 B8R1.2 NCC1CCOCC1 A18185 [0,2,0,0,0,0|1,0,0]=3 100 B8R1.2 NCC1CNCCO1 M17098 [0,2,0,0,0,0|1,0,0]=3 101 B8R1.2 O=NN1CCOCC1 N17202 [0,2,0,0,0,0|1,0,0]=3 102 B8R1.2 OCC1CCCCN1 P11278 [0,2,0,0,0,0|0,0,0]=2 103 B8R1.2 OCC1CCCNC1 P11620 [0,2,0,0,0,0|0,0,0]=2 104 B8R1.2 OCC1CCNCC1 P11277 [0,2,0,0,0,0|0,0,0]=2 105 B8R1.2 OCC1CNCCN1 H17068 [0,2,0,0,0,0|1,0,0]=3 106 B8R1.2 OCC1CNCCO1 H13089 [0,2,0,0,0,0|1,0,0]=3 107 B8R1.2 OC[C@H]1CNCCO1 H16873 [0,2,0,0,0,0|1,0,0]=3 108 B8R1.3 BrC1CCC(Br)NC1 B10767 [0,2,0,0,0,0|0,0,0]=2 109 B8R1.3 CN1CCC(=O)CC1 M3185 [0,2,0,0,0,0|0,0,1]=3 110 B8R1.3 CN1CCC(N)CC1 A7280 [0,2,0,0,0,0|0,0,0]=2 111 B8R1.3 CN1CCC(O)CC1 M3416 [0,2,0,0,0,0|0,0,0]=2 112 B8R1.3 CN1CCN(N)CC1 A0739 [0,2,0,0,0,0|1,0,0]=3 113 B8R1.3 C[C@H]1CC[C@H](N)CC1 M17931 [0,2,0,0,0,0|1,0,0]=3 114 B8R1.3 C[C@H]1CC[C@H](N)CC1 M6135 [0,2,0,0,0,0|1,0,0]=3 115 B8R1.3 C[C@H]1CN[C@H](C)CN1 D3385 [0,2,0,0,0,0|1,0,0]=3 116 B8R1.3 NC1CCC(O)CC1 A0964 [0,2,0,0,0,0|1,0,0]=3 117 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,2,0,0,0,0|1,0,0]=3 118 B8R1.3 N[C@H]1CC[C@H](O)CC1 A2772 [0,2,0,0,0,0|1,0,0]=3 119 B8R1.3 O=C1CCC(O)CC1 H15821 [0,2,0,0,0,0|1,0,0]=3 120 B8R1.3 O=C1CC[C@H](O)CN1 H14910 [0,2,0,0,0,0|0,0,1]=3 121 B8R1.3 OC1CSC(O)CS1 D5391 [0,2,0,0,0,0|2,0,0]=4 122 B8R1.4 BrC1CCCC(Br)N1 D10769 [0,2,0,0,0,0|0,0,0]=2 123 B8R1.4 BrC1CNCC(Br)C1 B10768 [0,2,0,0,0,0|0,0,0]=2 124 B8R1.4 CC1CNCC(C)C1 L11275 [0,2,0,0,0,0|0,0,0]=2 125 B8R1.4 CC1CNCC(C)N1 D0949 [0,2,0,0,0,0|1,0,0]=3 126 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D11681 [0,2,0,0,0,0|1,0,0]=3 127 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [0,2,0,0,0,0|1,0,0]=3 128 B8R1.5 CC1CCCCC1N M11246 [0,2,0,0,0,0|1,0,0]=3 129 B8R1.5 CC1CNCCC1=O M11274 [0,2,0,0,0,0|0,0,1]=3 130 B8R1.5 CC1CNCCC1=O M19160 [0,2,0,0,0,0|0,0,1]=3 131 B8R1.5 CC1NCCNC1=O M17109 [0,2,0,0,0,0|1,0,1]=4 132 B8R1.5 CC1NCCNC1C D17036 [0,2,0,0,0,0|1,0,0]=3 133 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [0,2,0,0,0,0|1,0,0]=3 134 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [0,2,0,0,0,0|1,0,0]=3 135 B8R1.5 N[C@H]1CCCNC1=O A18130 [0,2,0,0,0,0|0,0,1]=3 136 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,2,0,0,0,0|1,0,0]=3 137 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [0,2,0,0,0,0|1,0,0]=3 138 B8R1.72 CC1(C)CNCCN1 D17037 [0,2,0,0,0,0|1,0,0]=3 139 B8R1.72 CC1(C)COCCN1 D17020 [0,2,0,0,0,0|1,0,0]=3 140 B8R1.72 FC1(F)CCNCC1 D14167 [0,2,0,0,0,0|0,0,0]=2 141 B8R1.72 FC1(F)CCNCC1 D7455 [0,2,0,0,0,0|0,0,0]=2 142 B8R1.72 O=S1(=O)CCNCC1 T1545 [0,2,0,0,0,0|1,0,0]=3 143 B6R1.3 NCCC1CC1 C14004 [0,0,1,1,0,0|0,0,0]=2 144 B6R1.3 NOCC1CC1 C2245 [0,0,1,1,0,0|1,0,0]=3 145 B6R1.4 CN1CCC1N A18235 [0,0,1,1,0,0|1,0,0]=3 146 B6R1.6 COC1CNC1 M19138 [0,0,1,1,0,0|1,0,0]=3 147 B6R1.6 N#CC1CNC1 A18238 [0,0,1,1,0,0|1,0,1]=4 148 B6R1.6 OCC1CNC1 A19210 [0,0,1,1,0,0|1,0,0]=3 149 B6R1.6 OC[C@@H]1CCN1 A19140 [0,0,1,1,0,0|1,0,0]=3 150 B8R1.49 C1=CCCC=CCC1 B5068 [0,0,0,0,0,2|1,0,1]=4 151 B8R1.49 C1=CCCC=CCC1 C5012 [0,0,0,0,0,2|1,0,1]=4