0 B10R1.15 COC(=O)C1CCCCN1 M11624 [0,0,0,0,0,0|1,0,0]=1 1 B10R1.15 COC(=O)C1CCCNC1 P15955 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 COC(=O)C1CCNCC1 M11619 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.15 COC(=O)C1CNCCN1 P11655 [0,0,0,0,0,0|2,0,0]=2 5 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.15 COC(=O)C1CNCCN1 P17147 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 COC(=O)C1COCCN1 M13385 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 COC(=O)[C@H]1CCCNC1 M10946 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.15 COC(=O)[C@H]1CCCNC1 M18788 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.15 COC(=O)[C@H]1COCCN1 M13391 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.15 N[C@@H](CO)C1CCCCC1 A15411 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.15 N\C(=N\O)N1CCCCC1 H13831 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.15 O=C(CBr)N1CCSCC1 B4458 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.15 O=C(CCl)N1CCOCC1 C7604 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.6 CC(=O)N1CCNCC1 A12427 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 CC(=O)N1CCOCC1 A1047 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.6 N=C(N)C1CCCCC1 C13019 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 N=C(N)C1CCCCN1 P16906 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.6 N=C(N)C1CCCNC1 P16907 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.6 N=C(N)C1CCNCC1 P15947 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.6 N=C(N)N1CCCCC1 P13916 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.6 NC(=O)C1CCCCN1 P11625 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 NC(=O)C1CCCNC1 P11626 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.6 NC(=O)C1CCNCC1 P11627 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.6 NC(=O)C1CNCCN1 P2073 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.6 NC(=S)N1CCCCC1 P0658 [1,0,0,0,0,0|2,1,0]=4 28 B9R1.6 O=C(O)C1=CCCCO1 D16194 [1,0,0,0,0,0|1,0,2]=4 29 B9R1.6 O=C(O)C1CC=CCC1 C3660 [1,0,0,0,0,0|0,0,2]=3 30 B9R1.6 O=C(O)C1CCCCC1 C18818 [1,0,0,0,0,0|0,0,0]=1 31 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,0,0,0|1,0,0]=2 32 B9R1.6 O=C(O)C1CCCCN1 P3033 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.6 O=C(O)C1CCCCN1 P4996 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 O=C(O)C1CCCNC1 P4047 [1,0,0,0,0,0|1,0,0]=2 35 B9R1.6 O=C(O)C1CCNCC1 P1046 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 O=C(O)C1CCOCC1 T11054 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.6 O=C(O)C1CNCCN1 P0002 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 O=C(O)C1CNCCO1 M14076 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 O=C(O)C1CSCCN1 T12966 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,0,0,0|1,0,0]=2 41 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [1,0,0,0,0,0|1,0,0]=2 42 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.6 O=C(O)[C@@H]1CNCCN1 P1990 [1,0,0,0,0,0|2,0,0]=3 44 B9R1.6 O=C(O)[C@@H]1CNCCN1 S6059 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.6 O=C(O)[C@@H]1COCCN1 M14113 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.6 O=C(O)[C@@H]1CSCCN1 T16413 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [1,0,0,0,0,0|1,0,0]=2 48 B9R1.6 O=C(O)[C@H]1CNCCN1 R6058 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.6 O=C(O)[C@H]1CNCCN1 R6061 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.8 O=C=NC1CCCCC1 C18906 [1,0,0,0,0,0|3,0,0]=4 51 B11R1.12 COC(OC)C1CCNCC1 D15015 [0,1,0,0,0,0|1,0,2]=4 52 B11R1.16 CCOC(=O)C1CCCCN1 E0393 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.16 CCOC(=O)C1CCCNC1 E4133 [0,1,0,0,0,0|1,0,0]=2 54 B11R1.16 CCOC(=O)C1CCNCC1 A3950 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.16 CCOC(=O)C1SCCCS1 E8704 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.16 CCOC(=O)N1CCNCC1 E7464 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E11622 [0,1,0,0,0,0|1,0,0]=2 58 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E17989 [0,1,0,0,0,0|1,0,0]=2 59 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 E4639 [0,1,0,0,0,0|1,0,0]=2 60 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,1,0,0,0,0|1,0,0]=2 61 B11R1.16 CCOC(=O)[C@H]1CCCNC1 E11623 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.16 CCOC(=O)[C@H]1CCCNC1 S6053 [0,1,0,0,0,0|1,0,0]=2 63 B11R1.16 NC(CCO)C1CCCCC1 A14596 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.22 COC(=O)C1CCC(O)CC1 M13165 [0,1,0,0,0,0|0,0,0]=1 65 B11R1.23 COC(=O)C1=CCCN(C)C1 A12487 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.23 COC(=O)C1=CCCN(C)C1 A5624 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.222 COC(=O)C1CNCCC1=O O15904 [0,1,0,0,0,0|1,0,1]=3 68 B11R1.878 COC(=O)C1(N)CCOCC1 A16217 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.878 COC(=O)C1(N)CCSCC1 A16120 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.878 N\C(=N\O)C1(O)CCCCC1 D13762 [0,1,0,0,0,0|3,0,0]=4 71 B9R0.8 COC(=O)[C@@H](N)CCSC M5535 [0,0,1,0,0,0|2,0,0]=3 72 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,0,1,0,0,0|3,0,0]=4 73 B9R1.11 COC(=O)C1CC=CC1 M13309 [0,0,0,0,1,0|0,0,2]=3 74 B9R1.11 COC(=O)[C@@H]1CCCN1 P7690 [0,0,0,0,1,0|1,0,0]=2 75 B9R1.11 COC(=O)[C@H]1CCCN1 P7691 [0,0,0,0,1,0|1,0,0]=2 76 B9R1.11 N\C(=N/O)C1CCCC1 H13016 [0,0,0,0,1,0|3,0,0]=4 77 B11R1.40 COC(=O)CC1CCNCC1 P12406 [0,0,0,0,0,1|1,0,0]=2 78 B11R1.40 COC(=O)CC1CCNCC1 P12406 [0,0,0,0,0,1|1,0,0]=2 79 B11R1.40 COC(=O)CC1CNCCN1 M14073 [0,0,0,0,0,1|2,0,0]=3 80 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,0,1,0,0,0|2,0,0]=4 81 B8R0.3 COC(=O)C(Br)CCBr M18995 [1,0,1,0,0,0|2,0,0]=4 82 B8R0.3 COC(=O)C(N)CCBr M13176 [1,0,1,0,0,0|2,0,0]=4 83 B8R0.3 COC(=O)[C@@H](N)CCBr M13187 [1,0,1,0,0,0|2,0,0]=4 84 B8R0.8 CCCCC(C)C(=O)Cl M12954 [1,0,1,0,0,0|1,0,0]=3 85 B8R0.8 CSCC[C@@H](N)C(=O)O M6093 [1,0,1,0,0,0|2,0,0]=4 86 B8R0.8 NCCC[C@@H](N)C(=O)O O11124 [1,0,1,0,0,0|2,0,0]=4 87 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [1,0,1,0,0,0|2,0,0]=4 88 B8R0.8 NCCC[C@H](N)C(=O)O O12400 [1,0,1,0,0,0|2,0,0]=4 89 B8R0.8 NCCC[C@H](N)C(=O)O O2148 [1,0,1,0,0,0|2,0,0]=4 90 B8R0.8 [C@@H](N)(CCSC)C(=O)O M1841 [1,0,1,0,0,0|2,0,0]=4 91 B8R0.7 CCCCCCC(=N)N H13000 [1,0,1,0,0,0|2,0,0]=4 92 B8R0.7 CCCCCC[C@H](C)O O2182 [1,0,1,0,0,0|0,0,2]=4 93 B8R1.2 BrCC1CCCCC1 B12603 [2,0,0,0,0,0|1,0,1]=4 94 B8R1.2 CCC1CCCCN1 E3360 [2,0,0,0,0,0|1,0,1]=4 95 B8R1.2 CNC1CCCCC1 M18798 [2,0,0,0,0,0|1,0,0]=3 96 B8R1.2 CNC1CCCNC1 M8469 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 COC1CCCNC1 M14733 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.2 OCC1CCCCN1 P11278 [2,0,0,0,0,0|1,0,1]=4 99 B8R1.2 OCC1CCCNC1 P11620 [2,0,0,0,0,0|1,0,1]=4 100 B8R1.2 OCC1CCNCC1 P11277 [2,0,0,0,0,0|1,0,1]=4 101 B10R0.19 CCOC(=O)[C@@H](N)CCSC M5409 [0,1,1,0,0,0|2,0,0]=4 102 B10R0.19 CCOC(=O)[C@H](N)CCSC M6334 [0,1,1,0,0,0|2,0,0]=4 103 B10R1.13 CN1CCC(C(=O)O)CC1 M5365 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.13 NC1CCC(C(=O)O)CC1 A15458 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [1,1,0,0,0,0|0,0,0]=2 106 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [1,1,0,0,0,0|0,0,0]=2 107 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18114 [1,1,0,0,0,0|0,0,0]=2 108 B10R1.13 O=C(O)C1CCC(O)CC1 H0233 [1,1,0,0,0,0|0,0,0]=2 109 B10R1.61 CC(=O)N1CCCCC1=O A17996 [1,1,0,0,0,0|1,0,1]=4 110 B10R1.61 CC1CNCCC1C(=O)O M12883 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.61 CN1CCNCC1C(=O)O M19106 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.61 CN1CCNCC1C(=O)O M19106 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.61 NC1CCCCC1C(=O)O A12769 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.113 CC1CCCC(C(=O)O)N1 M7284 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.113 O=C(O)C1CNCC(O)C1 H13087 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.113 O=C1CCCC(C(=O)O)N1 O14392 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.363 CC1(C(=O)O)CCCCN1 M12952 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.363 N=C(N)C1(O)CCCCC1 H13782 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.363 NC1(C(=O)O)CCNCC1 A13432 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.363 NC1(C(=O)O)CCNCC1 A18167 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.363 NC1(C(=O)O)CCOCC1 A15423 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.363 NC1(C(=O)O)CCSCC1 A15988 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [1,1,0,0,0,0|0,0,0]=2 125 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,1,0,0,1,0|1,0,1]=4 126 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 P6314 [0,1,0,0,1,0|1,0,1]=4 127 B10R1.14 COC(=O)[C@@H]1C[C@@H](O)CN1 H8259 [0,1,0,0,1,0|1,0,0]=3 128 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 P7358 [0,1,0,0,1,0|1,0,1]=4 129 B10R1.411 COC(=O)C1(N)CCCC1 M13175 [0,1,0,0,1,0|0,0,0]=2 130 B12R1.32 CCOC(=O)CC1COCCN1 M17086 [0,1,0,0,0,1|2,0,0]=4 131 B12R1.32 CCOC(=O)NC1CCNCC1 A7915 [0,1,0,0,0,1|1,0,0]=3 132 B12R1.365 COC(=O)C1CCCCCC1N M13247 [0,1,0,0,0,1|0,0,0]=2 133 B12R1.1731 COC(=O)C1(N)CCCCCC1 M13169 [0,1,0,0,0,1|0,0,0]=2 134 B12R1.16 CCOC(=O)C1CCC(=O)CC1 E2354 [0,2,0,0,0,0|0,0,1]=3 135 B12R1.16 CCOC(=O)N1CCC(=O)CC1 C2285 [0,2,0,0,0,0|1,0,1]=4 136 B12R1.16 CCOC(=O)N1CCC(=O)CC1 C2285 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.16 CCOC(=O)N1CCC(N)CC1 C2286 [0,2,0,0,0,0|1,0,0]=3 138 B12R1.16 CCOC(=O)N1CCC(O)CC1 E7950 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.17 CCOC(=O)[C@H]1C[C@H](C)CCN1 M3927 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.30 O=C(NCCO)C1CCNCC1 P7914 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.308 CCOC(=O)C1CCCCC1O E13436 [0,2,0,0,0,0|0,0,0]=2 142 B12R1.308 CCOC(=O)C1CCCNC1=O O6122 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.1595 CCOC(=O)C1(C)CCCCN1 M14432 [0,2,0,0,0,0|1,0,0]=3 144 B12R1.1595 CCOC(=O)C1(N)CCCCC1 A15351 [0,2,0,0,0,0|0,0,0]=2 145 B10R1.29 CCCCN1CCCC1=O B18734 [0,0,1,1,0,0|2,0,0]=4 146 B10R1.275 CN1CCCC[C@H](N)C1=O A15399 [0,0,1,1,0,0|2,0,0]=4 147 B10R2.62 C12CCN(CC1)CC2=O Q5369 [1,0,0,1,0,0|1,0,0]=3 148 B10R2.7 [C@H]12CCCC[C@H]1CNC2 O7327 [1,0,0,1,0,0|1,0,1]=4 149 B10R2.7 [C@H]12CCCC[C@H]1CNC2 O7327 [1,0,0,1,0,0|1,0,1]=4 150 B12R2.2918 O=C1CC2(CCCCC2)CN1 P1411 [0,0,0,1,0,1|1,0,0]=3 151 B12R2.2028 O=C1NC(=O)[C@@H]2CCCC[C@H]12 H3094 [0,1,0,1,0,0|1,0,1]=4 152 B12R2.1596 COC(=O)C1CN2CCC1C2 M16054 [0,1,0,1,0,0|1,0,0]=3 153 B8R1.7 N=C(N)C1CCCC1 C13017 [1,0,0,0,1,0|2,0,0]=4 154 B8R1.7 NC(=O)[C@@H]1CCCN1 P2995 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.7 O=C(O)C1CC=CC1 C3045 [1,0,0,0,1,0|0,0,2]=4 156 B8R1.7 O=C(O)C1CCCN1 P6294 [1,0,0,0,1,0|1,0,0]=3 157 B8R1.7 O=C(O)C1CCNC1 P12835 [1,0,0,0,1,0|1,0,0]=3 158 B8R1.7 O=C(O)C1CCOC1 T15197 [1,0,0,0,1,0|1,0,0]=3 159 B8R1.7 O=C(O)[C@@H]1CCCO1 T3062 [1,0,0,0,1,0|1,0,0]=3 160 B8R1.7 O=C(O)[C@@H]1CSCN1 T17736 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,0,1,0|1,0,0]=3 162 B8R1.7 O=C(O)[C@H]1CCCN1 P0396 [1,0,0,0,1,0|1,0,0]=3 163 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,0,1,0|1,0,0]=3 164 B8R1.7 O=C(O)[C@H]1CCCO1 T6625 [1,0,0,0,1,0|1,0,0]=3 165 B8R1.38 COC(=O)C1CCN1 M19139 [0,0,0,0,2,0|1,0,0]=3 166 B10R1.348 N=C(N)C1CCCCCC1 C13745 [1,0,0,0,0,1|2,0,0]=4