0 B8R0.8 NCCC[C@H](N)C(=O)O AC-10594 [0,0,0,0,0,0|3,0,1]=4 1 B7R0.3 COC(=O)CCCN AC-34788 [1,0,0,0,0,0|2,0,0]=3 2 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,0,0,0,0|1,0,1]=3 3 B7R0.4 CCO\C=C\C(=O)O AC-28683 [1,0,0,0,0,0|2,0,1]=4 4 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,0,0,0,0|2,0,1]=4 5 B7R0.5 CCC[C@H](N)C(=O)O AC-15512 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [1,0,0,0,0,0|2,0,1]=4 7 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [1,0,0,0,0,0|1,0,2]=4 8 B9R0.7 O=C(O)CCC(=O)C(=O)O AC-30094 [0,1,0,0,0,0|2,0,1]=4 9 B9R0.47 C=C(C)C(=O)NCCCN AC-79558 [0,1,0,0,0,0|2,0,0]=3 10 B9R0.47 NCCCCC(N)C(=O)O AC-65095 [0,1,0,0,0,0|2,0,1]=4 11 B9R0.47 NCCCCC(N)C(=O)O AC-76916 [0,1,0,0,0,0|2,0,1]=4 12 B9R0.47 NCCCC[C@@H](N)C(=O)O AC-16152 [0,1,0,0,0,0|2,0,1]=4 13 B9R1.5 CN1CCCCCC1=O AC-16737 [0,0,0,1,0,0|2,0,0]=3 14 B9R1.6 CC(=O)C1CCCCN1 AC-59637 [0,0,0,1,0,0|1,0,1]=3 15 B9R1.6 CC(=O)C1CCCCN1 AC-75764 [0,0,0,1,0,0|1,0,1]=3 16 B9R1.6 CC(=O)C1CCNCC1 AC-86993 [0,0,0,1,0,0|2,0,1]=4 17 B9R1.6 CC(=O)C1CCOCC1 AC-43054 [0,0,0,1,0,0|2,0,1]=4 18 B9R1.6 CC(=O)C1CNCCO1 AC-90531 [0,0,0,1,0,0|1,0,2]=4 19 B9R1.6 CC(=O)N1CCCCC1 AC-62125 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.6 CC(=O)N1CCNCC1 AC-20141 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.6 NC(=O)C1CCCCN1 AC-58730 [0,0,0,1,0,0|2,0,1]=4 22 B9R1.6 O=C(O)C1=CCCCC1 AC-27219 [0,0,0,1,0,0|2,0,0]=3 23 B9R1.6 O=C(O)C1=CCCOC1 AC-40735 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.6 O=C(O)C1=CCNCC1 AC-94498 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.6 O=C(O)C1CCCCC1 AC-27211 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.6 O=C(O)C1CCCCN1 AC-10556 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 O=C(O)C1CCCCN1 AC-11054 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 O=C(O)C1CCCCN1 AC-11295 [0,0,0,1,0,0|2,0,1]=4 29 B9R1.6 O=C(O)C1CCCCO1 AC-79301 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.6 O=C(O)[C@@H]1CCCCN1 AC-77435 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 O=C(O)[C@H]1CCCCN1 AC-40464 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.40 CC1(C)CCCCC1=O AC-42927 [0,0,0,1,0,0|1,0,1]=3 36 B9R1.40 CC1(C)COCCC1=O AC-79915 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.69 CC1CN(C)CCC1=O AC-74119 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.69 CN1CCC(N)CC1=O AC-87233 [0,0,0,1,0,0|3,0,0]=4 39 B9R1.112 C\C(=C/C1CC1)C(=O)O AC-75555 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.112 N[C@@H](CC1CC1)C(=O)O AC-19072 [0,0,0,1,0,0|2,0,1]=4 41 B9R1.163 NC1(C(=O)O)CCCC1 AC-22601 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.163 O=C(O)C1(O)CCCC1 AC-80615 [0,0,0,1,0,0|1,0,2]=4 43 B6R0.1 CCCC(=O)NN AC-19259 [2,0,0,0,0,0|2,0,0]=4 44 B6R0.1 COC(=O)CCS AC-74164 [2,0,0,0,0,0|2,0,0]=4 45 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|1,0,0]=3 46 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|1,0,0]=3 47 B6R0.4 CNCCC(C)=O AC-83135 [2,0,0,0,0,0|1,0,0]=3 48 B6R0.4 NCCCC(=O)O AC-22540 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.4 O=C(O)CCCBr AC-34557 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.3 O=C(O)C(=O)CBr AC-66963 [2,0,0,0,0,0|2,0,0]=4 51 B8R0.6 CCCCNC(=O)CCl AC-57945 [1,1,0,0,0,0|1,0,1]=4 52 B8R0.9 C=CC(=O)OCC(C)O AC-77115 [1,1,0,0,0,0|1,0,1]=4 53 B8R0.19 CCC(=O)CC(=O)OC AC-13288 [1,1,0,0,0,0|1,0,1]=4 54 B8R0.19 COC(=O)C[C@@H](O)CCl AC-20202 [1,1,0,0,0,0|2,0,0]=4 55 B8R0.7 NCCCCCC(=O)O AC-22667 [1,1,0,0,0,0|1,0,1]=4 56 B8R0.7 NCCCCCC(=O)O AC-74011 [1,1,0,0,0,0|1,0,1]=4 57 B8R0.7 O=C(O)CCCCCBr AC-80223 [1,1,0,0,0,0|1,0,1]=4 58 B10R0.19 CCCCC(=O)C(=O)OCC AC-77388 [0,2,0,0,0,0|0,0,0]=2 59 B8R1.1 CCN1CCC(=O)C1 AC-96216 [1,0,0,1,0,0|1,0,1]=4 60 B8R1.2 O=CC1=CCCOC1 AC-28131 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.2 O=CC1CCCCO1 AC-93347 [1,0,0,1,0,0|0,0,2]=4 62 B8R1.3 CN1CCC(=O)CC1 AC-40555 [1,0,0,1,0,0|1,0,1]=4 63 B8R1.3 O=C1CCC(O)CC1 AC-37934 [1,0,0,1,0,0|1,0,1]=4 64 B8R1.5 CC1COCCC1=O AC-71971 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.5 CC1CSCCC1=O AC-88127 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.5 CC1NCCCC1=O AC-91259 [1,0,0,1,0,0|1,0,1]=4 67 B8R1.5 CN1CCNCC1=O AC-31378 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.5 O=C1CCCCC1=O AC-75172 [1,0,0,1,0,0|0,0,0]=2 69 B8R1.22 O=C1CCCCNC1 AC-81448 [1,0,0,1,0,0|1,0,1]=4 70 B8R1.38 COC(=O)C1CCC1 AC-56656 [1,0,0,1,0,0|1,0,0]=3 71 B8R1.38 COC(=O)C1CNC1 AC-95063 [1,0,0,1,0,0|2,0,0]=4 72 B8R1.50 CC1CCC(=O)C1=O AC-13924 [1,0,0,1,0,0|0,0,0]=2 73 B8R1.50 CC1CCC(=O)C1=O AC-95075 [1,0,0,1,0,0|0,0,0]=2 74 B8R1.50 CC1CCC(=O)C1=O AC-96413 [1,0,0,1,0,0|0,0,0]=2 75 B8R1.50 CC1CCN(C)C1=O AC-28575 [1,0,0,1,0,0|2,0,0]=4 76 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|1,0,1]=4 77 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|1,0,0]=3 78 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,1,0,0|1,0,1]=4 84 B8R1.34 CC(=O)C=C1CCC1 AC-86489 [1,0,0,1,0,0|0,0,1]=3 85 B8R1.34 O=C(O)CC1CCC1 AC-45159 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.35 O=C(O)CCC1CC1 AC-45156 [1,0,0,1,0,0|1,0,1]=4 87 B10R1.61 CC(=O)C1CCCCC1=O AC-22370 [0,0,0,1,0,1|0,0,0]=2 88 B10R1.61 CC(=O)C1CCCNC1=O AC-94359 [0,0,0,1,0,1|1,0,0]=3 89 B10R1.61 CC(=O)N1CCCCC1=O AC-86688 [0,0,0,1,0,1|0,0,0]=2 90 B10R1.34 CCC1OC(=O)C(O)=C1C AC-29085 [0,1,0,1,0,0|1,0,1]=4 91 B10R1.13 CC(=O)N1CCC(N)CC1 AC-24210 [0,1,0,1,0,0|2,0,0]=4 92 B10R1.13 CC(=O)N1CCC(O)CC1 AC-55638 [0,1,0,1,0,0|2,0,0]=4 93 B10R1.15 CCC(=O)C1CCCCC1 AC-94425 [0,1,0,1,0,0|1,0,1]=4 94 B10R1.15 COC(=O)C1=CCCCC1 AC-64778 [0,1,0,1,0,0|1,0,0]=3 95 B10R1.15 COC(=O)C1=CCCNC1 AC-87749 [0,1,0,1,0,0|2,0,0]=4 96 B10R1.15 COC(=O)C1=CCOCC1 AC-40737 [0,1,0,1,0,0|2,0,0]=4 97 B10R1.15 COC(=O)C1CCCCN1 AC-31518 [0,1,0,1,0,0|1,0,1]=4 98 B10R1.15 COC(=O)C1CCCCO1 AC-86817 [0,1,0,1,0,0|0,0,2]=4 99 B10R1.15 COC(=O)[C@H]1CCCCN1 AC-20580 [0,1,0,1,0,0|1,0,1]=4 100 B10R1.15 O=C(CBr)N1CCCCC1 AC-55391 [0,1,0,1,0,0|2,0,0]=4 101 B10R1.15 O=C(CCl)N1CCCCC1 AC-37682 [0,1,0,1,0,0|2,0,0]=4 102 B10R1.176 CN1CCC(CO)CC1=O AC-86199 [0,1,0,1,0,0|2,0,0]=4 103 B10R1.182 COC(=O)C(N)C1CCC1 AC-93589 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.182 COC(=O)[C@@H](N)C1CCC1 AC-81504 [0,1,0,1,0,0|1,0,1]=4 105 B10R1.363 CC(=O)C1(O)CCCCC1 AC-59627 [0,1,0,1,0,0|0,0,2]=4