0 B8R0.28 CN(C)CCCC(=O)O AC-51576 [0,0,0,0,0,0|3,0,0]=3 1 B8R0.28 CN(C)C\C=C\C(=O)O AC-71519 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CN(C)C\C=C\C(=O)O AC-77445 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)CCCCBr AC-77132 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 CNCCCC(=O)O AC-81313 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.35 CC(=O)N1CCC(=O)C1 AC-94648 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.35 CC(=O)N1CCC(Br)C1 AC-94637 [0,0,0,1,0,0|2,0,0]=3 7 B9R1.35 CC(=O)N1CCC(N)C1 AC-45636 [0,0,0,1,0,0|2,0,0]=3 8 B9R1.35 CC(=O)N1CCC(N)C1 AC-85189 [0,0,0,1,0,0|2,0,0]=3 9 B9R1.35 CN1CCC(C(=O)O)C1 AC-31739 [0,0,0,1,0,0|3,0,0]=4 10 B9R1.35 CN1CCC(C(=O)O)C1 AC-50464 [0,0,0,1,0,0|3,0,0]=4 11 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 AC-66634 [0,0,0,1,0,0|3,0,0]=4 12 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 AC-80367 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 AC-79269 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 AC-45056 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 O=C(O)[C@H]1CC[C@@H](O)C1 AC-83990 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.49 CN1CCCC(=O)CC1 AC-56154 [0,0,0,1,0,0|2,0,0]=3 17 B9R1.49 CN1CCNC(=O)CC1 AC-58165 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.66 CC1(C)CC(=O)CCN1 AC-71729 [0,0,0,1,0,0|2,0,0]=3 19 B9R1.66 CC1(C)CC(=O)CCO1 AC-40742 [0,0,0,1,0,0|2,0,0]=3 20 B9R1.66 CC1(C)CC(O)CCO1 AC-72325 [0,0,0,1,0,0|2,0,1]=4 21 B9R1.66 CC1(C)CCCC(=O)C1 AC-68550 [0,0,0,1,0,0|1,0,0]=2 22 B9R1.66 CC1(O)CCOC(=O)C1 AC-32060 [0,0,0,1,0,0|1,0,0]=2 23 B7R0.6 CC(C)NCC(=O)O AC-84846 [0,0,0,0,1,0|2,0,0]=3 24 B6R0.4 CC(=O)CCCBr AC-77239 [2,0,0,0,0,0|1,0,0]=3 25 B6R0.4 CC(=O)CCCCl AC-35279 [2,0,0,0,0,0|1,0,0]=3 26 B6R0.4 CNCCC(C)=O AC-83135 [2,0,0,0,0,0|1,0,0]=3 27 B6R0.4 NCCCC(=O)O AC-22540 [2,0,0,0,0,0|2,0,0]=4 28 B6R0.4 O=C(O)CCCBr AC-34557 [2,0,0,0,0,0|2,0,0]=4 29 B8R0.6 CCCCNC(=O)CCl AC-57945 [1,1,0,0,0,0|1,0,0]=3 30 B8R0.7 NCCCCCC(=O)O AC-22667 [1,1,0,0,0,0|2,0,0]=4 31 B8R0.7 NCCCCCC(=O)O AC-74011 [1,1,0,0,0,0|2,0,0]=4 32 B8R0.7 O=C(O)CCCCCBr AC-80223 [1,1,0,0,0,0|2,0,0]=4 33 B8R0.23 CC(C)CC(Br)C(=O)O AC-77294 [0,1,0,0,1,0|1,0,0]=3 34 B8R0.23 CC(C)CC(N)C(=O)O AC-10289 [0,1,0,0,1,0|1,0,0]=3 35 B8R0.23 CC(C)CC(O)C(=O)O AC-83999 [0,1,0,0,1,0|1,0,0]=3 36 B8R0.23 CC(C)C[C@@H](N)C(=O)O AC-16501 [0,1,0,0,1,0|1,0,0]=3 37 B8R0.23 CC(C)[C@@H](N)CC(=O)O AC-81175 [0,1,0,0,1,0|1,0,0]=3 38 B8R0.29 CC(C)(C)NCC(=O)O AC-63194 [0,1,0,0,1,0|2,0,0]=4 39 B8R0.29 CC(C)(N)CNC(N)=O AC-83164 [0,1,0,0,1,0|2,0,0]=4 40 B10R0.70 CC(C)CC(CN)CC(=O)O AC-32436 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.1 CCN1CCC(=O)C1 AC-96216 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.4 CC1CC(=O)CCO1 AC-40753 [1,0,0,1,0,0|2,0,0]=4 43 B8R1.4 CC1CCNC(C)C1 AC-79794 [1,0,0,1,0,0|1,0,1]=4 44 B8R1.4 CC1CCOC(=O)C1 AC-96315 [1,0,0,1,0,0|0,0,0]=2 45 B8R1.4 CN1CCCC(=O)C1 AC-84159 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.4 CN1CCOC(=O)C1 AC-91581 [1,0,0,1,0,0|1,0,0]=3 47 B8R1.4 NC1CCNC(=O)C1 AC-24692 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.4 NC1CCNC(=O)C1 AC-80838 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.4 O=C1CC(O)CCN1 AC-65410 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.7 O=C(O)C1CCCC1 AC-27255 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.19 CC1(C)CCCC1=O AC-92916 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.19 CC1(C)CCNC1=O AC-76535 [1,0,0,1,0,0|1,0,0]=3 53 B8R1.22 O=C1CCCCNC1 AC-81448 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.34 CC(=O)C=C1CCC1 AC-86489 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.34 O=C(O)CC1CCC1 AC-45159 [1,0,0,1,0,0|2,0,0]=4 56 B8R1.35 O=C(O)CCC1CC1 AC-45156 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.72 CC1(N)CCOCC1 AC-79943 [1,0,0,1,0,0|1,0,1]=4 58 B8R1.3 CC1CCC(N)CC1 AC-15272 [0,0,0,1,1,0|1,0,1]=4 59 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,0,0,1,1,0|1,0,0]=3 60 B8R1.3 O=C1CCC(=O)CC1 AC-15275 [0,0,0,1,1,0|1,0,1]=4 61 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,0,0,1,1,0|1,0,0]=3 62 B8R1.23 CC1CC(C(=O)O)C1 AC-41624 [0,0,0,1,1,0|1,0,0]=3 63 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 AC-79281 [0,0,0,1,1,0|2,0,0]=4 64 B8R1.23 O=C(O)C1CC(Cl)C1 AC-88521 [0,0,0,1,1,0|2,0,0]=4 65 B8R1.23 O=C(O)C1CC(F)C1 AC-29373 [0,0,0,1,1,0|2,0,0]=4 66 B8R1.23 O=C(O)C1CC(O)C1 AC-37931 [0,0,0,1,1,0|2,0,0]=4 67 B8R1.23 O=C(O)[C@H]1C[C@@H](O)C1 AC-41630 [0,0,0,1,1,0|2,0,0]=4 68 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [0,0,0,1,1,0|1,0,0]=3 69 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [0,0,0,1,1,0|1,0,0]=3 70 B8R1.77 CC1(C)CC1C(=O)O AC-93733 [0,0,0,1,1,0|1,0,0]=3 71 B8R1.77 CC1(C)C[C@@H]1C(=O)O AC-77496 [0,0,0,1,1,0|1,0,0]=3 72 B10R1.113 CC(C)C1CC(=O)CCN1 AC-89507 [0,0,0,1,0,1|1,0,0]=3 73 B10R1.113 CN1CCOC(C(=O)O)C1 AC-44885 [0,0,0,1,0,1|2,0,0]=4 74 B10R1.128 CC1(C)CNCC1C(=O)O AC-79869 [0,0,0,1,0,1|2,0,0]=4 75 B10R1.13 CC(=O)N1CCC(N)CC1 AC-24210 [0,1,0,1,0,0|2,0,0]=4 76 B10R1.13 CC(=O)N1CCC(O)CC1 AC-55638 [0,1,0,1,0,0|2,0,0]=4 77 B10R1.13 CC(C)N1CCC(=O)CC1 AC-23817 [0,1,0,1,0,0|2,0,0]=4 78 B10R1.13 CC1CCC(C(=O)O)CN1 AC-92143 [0,1,0,1,0,0|2,0,0]=4 79 B10R1.14 COC(=O)C1CCC(N)C1 AC-73697 [0,1,0,1,0,0|2,0,0]=4 80 B10R1.14 COC(=O)[C@@H]1CC[C@H](O)C1 AC-86895 [0,1,0,1,0,0|2,0,0]=4 81 B10R1.197 CCN1CCNC(=O)CC1 AC-66375 [0,1,0,1,0,0|2,0,0]=4 82 B10R1.120 CC1(C)CC(=O)CCC1O AC-82819 [0,1,0,1,0,0|1,0,0]=3 83 B10R1.329 CC1(C)CC(=O)C=C(Cl)C1 AC-83104 [0,1,0,1,0,0|1,0,1]=4 84 B10R1.329 CC1(C)CC(=O)C=C(N)C1 AC-15954 [0,1,0,1,0,0|1,0,1]=4 85 B10R1.329 CC1(C)CC(=O)CC(=O)C1 AC-16744 [0,1,0,1,0,0|1,0,1]=4 86 B10R1.329 CC1(C)CC(=O)NC(=O)C1 AC-23419 [0,1,0,1,0,0|1,0,1]=4 87 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [0,0,0,0,2,0|2,0,0]=4 88 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [0,0,0,0,2,0|2,0,0]=4 89 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [0,0,0,0,2,0|2,0,0]=4