0 B8R0.7 CCCCCCC(=N)N H13000 [0,0,0,0,0,0|2,0,1]=3 1 B8R0.7 CCCCCC[C@H](C)O O2182 [0,0,0,0,0,0|0,0,0]=0 2 B7R0.4 CC(=O)CCCCCl C18888 [1,0,0,0,0,0|1,0,2]=4 3 B7R0.4 CCCCCC(=N)N H14019 [1,0,0,0,0,0|2,0,1]=4 4 B9R0.1 CC(C)COCC(O)CN A14681 [0,1,0,0,0,0|3,0,0]=4 5 B9R0.2 CCCCCCCC(=N)N O13890 [0,1,0,0,0,0|2,0,1]=4 6 B9R0.46 C=CCCCCC(O)CN A13474 [0,1,0,0,0,0|0,0,2]=3 7 B9R0.46 CCCCCC\C(N)=N\O H12999 [0,1,0,0,0,0|1,0,1]=3 8 B9R0.46 CCCCOCC(O)CN A13314 [0,1,0,0,0,0|1,0,0]=2 9 B9R0.47 NCCCCC(N)C(=O)O L0399 [0,1,0,0,0,0|2,0,1]=4 10 B9R0.47 NCCCC[C@@H](N)C(=O)O H8309 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.47 NCCCC[C@H](N)C(=O)O L1919 [0,1,0,0,0,0|2,0,1]=4 13 B9R0.47 NCCCC[C@H](N)C(=O)O L6200 [0,1,0,0,0,0|2,0,1]=4 14 B9R0.47 NCCCC[C@H](N)C(=O)O L6279 [0,1,0,0,0,0|2,0,1]=4 15 B9R0.47 NCCCC[C@H](N)C(=O)O L6356 [0,1,0,0,0,0|2,0,1]=4 16 B9R1.2 CCN1CCCC(O)C1 E3028 [0,0,0,1,0,0|1,0,0]=2 17 B9R1.2 CN1CCCC(CO)C1 H5357 [0,0,0,1,0,0|3,0,0]=4 18 B9R1.6 N=C(N)C1CCCCC1 C13019 [0,0,0,1,0,0|2,0,1]=4 19 B9R1.6 O=C(O)C1CCCCC1 C18818 [0,0,0,1,0,0|1,0,1]=3 20 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.6 O=C(O)C1CCCCN1 P3033 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 O=C(O)C1CCCCN1 P4996 [0,0,0,1,0,0|2,0,1]=4 23 B9R1.6 O=C(O)C1CCCNC1 P4047 [0,0,0,1,0,0|2,0,1]=4 24 B9R1.6 O=C(O)C1CCNCC1 P1046 [0,0,0,1,0,0|2,0,1]=4 25 B9R1.6 O=C(O)C1CCOCC1 T11054 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 O=C(O)[C@@H]1CCCCN1 L6054 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 O=C(O)[C@@H]1CCCNC1 P7231 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.6 O=C(O)[C@H]1CCCNC1 P7232 [0,0,0,1,0,0|2,0,1]=4 30 B9R1.7 NCC[C@H]1CC[C@@H](O)C1 A13699 [0,0,0,1,0,0|1,0,0]=2 31 B9R1.13 CN(C)CC1CCNC1 D17027 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.13 O=C(O)CC1CCCN1 P4464 [0,0,0,1,0,0|2,0,1]=4 33 B9R1.13 O=C(O)C[C@@H]1CCCN1 H17104 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.13 O=C(O)C[C@H]1CCNC1 P14085 [0,0,0,1,0,0|2,0,1]=4 35 B9R1.41 CC1CNCC1C(=O)O M13281 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.41 NC1CCCC1C(=O)O A14514 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O A3768 [0,0,0,1,0,0|2,0,1]=4 38 B6R0.6 CCCCCCBr S19038 [2,0,0,0,0,0|1,0,0]=3 39 B6R0.4 CCC#CC(C)O H5925 [2,0,0,0,0,0|0,0,2]=4 40 B6R0.4 CCCCB(O)O B0514 [2,0,0,0,0,0|2,0,0]=4 41 B8R0.4 CCCCCC#CCBr B8552 [1,1,0,0,0,0|0,0,2]=4 42 B8R0.4 ClCCCOCCCCl C16437 [1,1,0,0,0,0|2,0,0]=4 43 B8R0.4 ClCCCOCCCCl C16437 [1,1,0,0,0,0|2,0,0]=4 44 B8R0.6 CCCCC\C(N)=N/O H14018 [1,1,0,0,0,0|1,0,1]=4 45 B8R0.5 CCCC(N)CC(=O)O A14453 [1,1,0,0,0,0|1,0,1]=4 46 B10R0.3 C=C(C)CCC[C@H](C)CCO R1283 [0,2,0,0,0,0|1,0,1]=4 47 B10R0.4 O=C(O)CCCCCCCBr B3812 [0,2,0,0,0,0|1,0,1]=4 48 B10R0.75 CCCCSC[C@@H](N)C(=O)O A8104 [0,2,0,0,0,0|1,0,1]=4 49 B10R0.75 CCCCSC[C@H](N)C(=O)O A8103 [0,2,0,0,0,0|1,0,1]=4 50 B8R1.2 BrCC1CCCCC1 B12603 [1,0,0,1,0,0|1,0,0]=3 51 B8R1.2 BrCC1CCNCC1 B18444 [1,0,0,1,0,0|2,0,0]=4 52 B8R1.2 BrCC1CCOCC1 B8153 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.2 CCC1CCCCN1 E3360 [1,0,0,1,0,0|1,0,0]=3 54 B8R1.2 CCC1CNCCN1 E5557 [1,0,0,1,0,0|2,0,0]=4 55 B8R1.2 CCC1CNCCO1 E17046 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.2 CNC1CCCCC1 M18798 [1,0,0,1,0,0|1,0,0]=3 57 B8R1.2 CNC1CCCNC1 M8469 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.2 COC1CCCNC1 M14733 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.2 ClCN1CCCCC1 C5727 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.2 NCC1CCCCN1 A4969 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 NCC1CCCNC1 A18064 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.2 NCC1CCCNC1 A1819 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.2 NCC1CCNCC1 A10917 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.2 NCC1CCOCC1 A18185 [1,0,0,1,0,0|2,0,0]=4 65 B8R1.2 NCC1CNCCO1 M17098 [1,0,0,1,0,0|2,0,0]=4 66 B8R1.2 OCC1CCCCN1 P11278 [1,0,0,1,0,0|1,0,0]=3 67 B8R1.2 OCC1CCCNC1 P11620 [1,0,0,1,0,0|1,0,0]=3 68 B8R1.2 OCC1CCNCC1 P11277 [1,0,0,1,0,0|1,0,0]=3 69 B8R1.2 OCC1CNCCN1 H17068 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.2 OCC1CNCCO1 H13089 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.2 OC[C@H]1CNCCO1 H16873 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.5 CC1CCCCC1N M11246 [1,0,0,1,0,0|1,0,0]=3 73 B8R1.5 CC1NCCNC1C D17036 [1,0,0,1,0,0|2,0,0]=4 74 B8R1.5 N[C@@H]1CCCC[C@H]1N D4772 [1,0,0,1,0,0|2,0,0]=4 75 B8R1.5 N[C@H]1CCCC[C@@H]1N D4771 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [1,0,0,1,0,0|2,0,0]=4 77 B8R1.5 [C@@H]1(N)CCCC[C@H]1N O5561 [1,0,0,1,0,0|2,0,0]=4 78 B8R1.8 BrCCC1OCCO1 B8236 [1,0,0,1,0,0|2,0,0]=4 79 B8R1.8 CCCC1CCCN1 P17208 [1,0,0,1,0,0|1,0,0]=3 80 B8R1.8 CNCC1CCNC1 M17103 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.8 ClCCN1CCCC1 C7818 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.8 OCC[C@@H]1CCCN1 P17212 [1,0,0,1,0,0|1,0,0]=3 83 B8R1.11 CC1CNCC1CN M13842 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.11 CN1CCC[C@H]1CO M11607 [1,0,0,1,0,0|1,0,0]=3 85 B8R1.22 CC1CCNCCN1 M15502 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.22 CN1CCCNCC1 M3447 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.22 NC1CCCCNC1 A18228 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.36 CCCNCC1CC1 P2232 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.4 CC1CNCC(C)C1 L11275 [1,0,0,1,0,0|2,0,0]=4 90 B8R1.4 CC1CNCC(C)N1 D0949 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D11681 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D6725 [1,0,0,1,0,0|1,0,0]=3 93 B10R1.13 NC1CCC(C(=O)O)CC1 A15458 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,1,0,1,0,0|1,0,1]=4 95 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18113 [0,1,0,1,0,0|1,0,1]=4 96 B10R1.13 N[C@H]1CC[C@H](C(=O)O)CC1 A18114 [0,1,0,1,0,0|1,0,1]=4 97 B10R1.13 O=C(O)C1CCC(O)CC1 H0233 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.54 CC1CCC(CC(=O)O)N1 M4466 [0,1,0,1,0,0|1,0,1]=4 99 B10R1.10 NCCN1CCCC(O)C1 A15421 [0,1,0,1,0,0|1,0,0]=3 100 B10R1.18 O=C(O)CC1CCCCN1 P14979 [0,1,0,1,0,0|1,0,1]=4 101 B10R1.18 O=C(O)CC1CCCNC1 P15959 [0,1,0,1,0,0|1,0,1]=4 102 B10R1.18 O=C(O)CC1CCNCC1 P4467 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.61 CC1CNCCC1C(=O)O M12883 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.61 NC1CCCCC1C(=O)O A12769 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.64 CC1CCCC1CC(=O)O M13870 [0,1,0,1,0,0|1,0,1]=4 106 B10R1.64 NC1CCCC1CC(=O)O A12909 [0,1,0,1,0,0|1,0,1]=4 107 B10R1.266 NC(CC(=O)O)C1CCC1 A15248 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.266 NC(CC(=O)O)C1CCC1 A15422 [0,1,0,1,0,0|1,0,1]=4 109 B10R1.1 NCCN1CCC(O)CC1 A14635 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.1 NCCN1CCC(O)CC1 A18271 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.15 NC(CO)C1CCOCC1 A15412 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.15 N[C@@H](CO)C1CCCCC1 A15411 [0,1,0,1,0,0|1,0,0]=3 113 B10R1.23 N[C@@H](C(=O)O)C1CCCC1 A15405 [0,1,0,1,0,0|1,0,1]=4 114 B10R1.113 CC1CCCC(C(=O)O)N1 M7284 [0,1,0,1,0,0|1,0,1]=4 115 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.363 O=C(O)C1(O)CCCCC1 H14842 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.138 CCCC(=O)OC[C@H]1CO1 G3666 [0,1,0,1,0,0|1,0,1]=4 118 B10R2.62 C12CCN(CC1)C[C@@H]2N A8983 [0,0,0,2,0,0|2,0,0]=4 119 B10R2.62 C12CCN(CC1)C[C@@H]2O Q6677 [0,0,0,2,0,0|1,0,0]=3 120 B10R2.62 C12CCN(CC1)C[C@H]2N A5580 [0,0,0,2,0,0|2,0,0]=4 121 B10R2.62 OC1CN2CCC1CC2 Q3654 [0,0,0,2,0,0|1,0,0]=3 122 B10R2.71 OC1CC2CCC(C1)N2 A12636 [0,0,0,2,0,0|1,0,0]=3 123 B10R2.2 NN1CC2CCCC2C1 A7556 [0,0,0,2,0,0|2,0,0]=4