0 B8R0.28 CC(C)CCCC(=O)O CS-0096310 [0,0,0,0,0,0|2,0,0]=2 1 B8R0.28 CN(C)C\C=C\C(=O)O CS-0091680 [0,0,0,0,0,0|3,0,1]=4 2 B8R0.28 CN(C)C\C=C\C(N)=O CS-0067381 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)NCCCO CS-0037159 [1,0,0,0,0,0|2,0,0]=3 4 B7R0.4 NCCCCC(N)=O CS-0112084 [1,0,0,0,0,0|3,0,0]=4 5 B9R0.53 CC(=O)OC(C)CN(C)C CS-0089131 [0,1,0,0,0,0|1,0,0]=2 6 B9R0.53 CC(C)C[C@@H](N)CC(=O)O CS-0038509 [0,1,0,0,0,0|2,0,0]=3 7 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-0036492 [0,1,0,0,0,0|2,0,0]=3 8 B9R0.53 CC(C)C[C@H](N)CC(=O)O CS-W008482 [0,1,0,0,0,0|2,0,0]=3 9 B9R1.35 CC(=O)N1CC[C@@H](O)C1 CS-0052712 [0,0,0,1,0,0|2,0,0]=3 10 B9R1.35 CC(C)C1CCC(=O)N1 CS-0046650 [0,0,0,1,0,0|2,0,0]=3 11 B9R1.35 CC(C)C1CNC(=O)C1 CS-0046667 [0,0,0,1,0,0|1,0,0]=2 12 B9R1.35 CN1CC[C@@H](C(=O)O)C1 CS-0054674 [0,0,0,1,0,0|3,0,0]=4 13 B9R1.35 CN1CC[C@H](C(=O)O)C1 CS-0053278 [0,0,0,1,0,0|3,0,0]=4 14 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 CS-0053405 [0,0,0,1,0,0|3,0,0]=4 15 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)O1 CS-0035602 [0,0,0,1,0,0|3,0,0]=4 16 B9R1.35 C[C@@H]1CN[C@H](C(=O)O)C1 CS-0089834 [0,0,0,1,0,0|3,0,0]=4 17 B9R1.35 C[C@H](F)[C@H]1COC(=O)N1 CS-0069830 [0,0,0,1,0,0|2,0,0]=3 18 B9R1.35 NC1CCC(C(=O)O)C1 CS-0051536 [0,0,0,1,0,0|3,0,0]=4 19 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 CS-0058718 [0,0,0,1,0,0|3,0,0]=4 20 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 CS-0053615 [0,0,0,1,0,0|3,0,0]=4 21 B9R1.35 O=C(O)C1CCC(O)C1 CS-0112577 [0,0,0,1,0,0|3,0,0]=4 22 B9R1.35 O=C1N[C@H](C(F)F)CO1 CS-0053175 [0,0,0,1,0,0|3,0,0]=4 23 B9R1.53 CC(=O)NC1CC(N)C1 CS-0048856 [0,0,0,1,0,0|2,0,0]=3 24 B9R1.53 CC(=O)OC1CC(=O)C1 CS-0045537 [0,0,0,1,0,0|1,0,1]=3 25 B9R1.53 CC(C)O[C@H]1C[C@@H](N)C1 CS-0049726 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.53 NC1CC(CC(=O)O)C1 CS-0052288 [0,0,0,1,0,0|3,0,0]=4 27 B9R1.53 N[C@H]1C[C@@H](CC(=O)O)C1 CS-0049761 [0,0,0,1,0,0|3,0,0]=4 28 B9R1.66 CC1(C)CCCC(=O)N1 CS-0062136 [0,0,0,1,0,0|2,0,0]=3 29 B9R1.166 CC1(C)CN[C@@H]1C(=O)O CS-0052346 [0,0,0,1,0,0|3,0,0]=4 30 B7R0.6 C[C@@H](N)CCC(=O)O CS-0093985 [0,0,0,0,1,0|2,0,0]=3 31 B6R0.4 CC(=O)CCCBr CS-0103669 [2,0,0,0,0,0|1,0,0]=3 32 B6R0.4 CC(=O)NCCBr CS-0112060 [2,0,0,0,0,0|2,0,0]=4 33 B6R0.4 CNCCC(=O)O CS-0112815 [2,0,0,0,0,0|2,0,0]=4 34 B8R0.6 CNCCCC(=O)OC CS-0112438 [1,1,0,0,0,0|2,0,0]=4 35 B8R0.23 CC(C)CC(N)C(N)=O CS-0091401 [0,1,0,0,1,0|1,0,0]=3 36 B8R0.23 CC(C)N(C)CC(=O)O CS-0037772 [0,1,0,0,1,0|2,0,0]=4 37 B8R0.23 CC(C)[C@@H](N)CC(=O)O CS-0038681 [0,1,0,0,1,0|1,0,0]=3 38 B8R0.23 CC(C)[C@H](N)CC(=O)O CS-0038142 [0,1,0,0,1,0|1,0,0]=3 39 B8R0.23 CN(C)C[C@H](N)C(=O)O CS-0091615 [0,1,0,0,1,0|2,0,0]=4 40 B10R0.13 C=C(C)C(=O)[C@@H](N)CC(C)C CS-M2718 [0,2,0,0,0,0|2,0,0]=4 41 B8R1.1 CCC1CCC(=O)N1 CS-0046651 [1,0,0,1,0,0|2,0,0]=4 42 B8R1.1 CCC1CNC(=O)C1 CS-0046666 [1,0,0,1,0,0|1,0,0]=3 43 B8R1.1 CC[C@H]1COC(=O)N1 CS-0093963 [1,0,0,1,0,0|1,0,0]=3 44 B8R1.1 NCC1CNC(=O)C1 CS-0051184 [1,0,0,1,0,0|2,0,0]=4 45 B8R1.1 NCC1COC(=O)N1 CS-0051192 [1,0,0,1,0,0|2,0,0]=4 46 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053189 [1,0,0,1,0,0|2,0,0]=4 47 B8R1.1 NC[C@@H]1CNC(=O)C1 CS-0053190 [1,0,0,1,0,0|2,0,0]=4 48 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053176 [1,0,0,1,0,0|2,0,0]=4 49 B8R1.1 NC[C@H]1CNC(=O)C1 CS-0053177 [1,0,0,1,0,0|2,0,0]=4 50 B8R1.1 O=C1CC(CO)CN1 CS-0046664 [1,0,0,1,0,0|2,0,0]=4 51 B8R1.1 O=C1CC(CO)CO1 CS-0037642 [1,0,0,1,0,0|1,0,0]=3 52 B8R1.4 CC1CC(=O)CCN1 CS-0012636 [1,0,0,1,0,0|2,0,0]=4 53 B8R1.4 CC1CC(=O)CCN1 CS-0080309 [1,0,0,1,0,0|2,0,0]=4 54 B8R1.4 CC1CC(O)CCO1 CS-0051835 [1,0,0,1,0,0|1,0,1]=4 55 B8R1.4 CC1CCOC(=O)O1 CS-0062234 [1,0,0,1,0,0|1,0,0]=3 56 B8R1.4 C[C@@H]1CC(=O)CCN1 CS-0053488 [1,0,0,1,0,0|2,0,0]=4 57 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053434 [1,0,0,1,0,0|2,0,0]=4 58 B8R1.4 C[C@H]1CC(=O)CCN1 CS-0053435 [1,0,0,1,0,0|2,0,0]=4 59 B8R1.4 NC1CCNC(=O)C1 CS-0051036 [1,0,0,1,0,0|2,0,0]=4 60 B8R1.4 NC1CCNC(=O)C1 CS-0062156 [1,0,0,1,0,0|2,0,0]=4 61 B8R1.4 O=C1CCCC(O)C1 CS-0051335 [1,0,0,1,0,0|2,0,0]=4 62 B8R1.4 O=C1C[C@H](O)CCN1 CS-0105946 [1,0,0,1,0,0|2,0,0]=4 63 B8R1.6 CCOC1CC(=O)C1 CS-0091770 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.6 CCOC1CC(N)C1 CS-0102254 [1,0,0,1,0,0|1,0,1]=4 65 B8R1.7 CC(C)[C@H]1CCNC1 CS-0053334 [1,0,0,1,0,0|1,0,1]=4 66 B8R1.19 CC1(C)CCN=C1S CS-0035637 [1,0,0,1,0,0|1,1,0]=4 67 B8R1.19 CC1(C)CONC1=O CS-0067875 [1,0,0,1,0,0|2,0,0]=4 68 B8R1.19 CC1CCOS1(=O)=O CS-0109864 [1,0,0,1,0,0|2,0,0]=4 69 B8R1.22 O=C1COCCCN1 CS-0037454 [1,0,0,1,0,0|2,0,0]=4 70 B8R1.72 CC1(N)CCOCC1 CS-0039635 [1,0,0,1,0,0|1,0,1]=4 71 B8R1.72 CC1(N)CCOCC1 CS-W018780 [1,0,0,1,0,0|1,0,1]=4 72 B8R1.3 CC1C=CC(=O)CC1 CS-0051212 [0,0,0,1,1,0|0,0,2]=4 73 B8R1.3 CC1CCC(=O)NC1 CS-0009361 [0,0,0,1,1,0|1,0,0]=3 74 B8R1.3 C[C@@H]1CNC(=O)CN1 CS-0058677 [0,0,0,1,1,0|2,0,0]=4 75 B8R1.3 C[C@H]1CNC(=O)CN1 CS-0053133 [0,0,0,1,1,0|2,0,0]=4 76 B8R1.3 NC1CCC(=O)CC1 CS-0106163 [0,0,0,1,1,0|1,0,0]=3 77 B8R1.3 NC1CCC(=O)NC1 CS-0050676 [0,0,0,1,1,0|2,0,0]=4 78 B8R1.3 N[C@@H]1CCC(=O)NC1 CS-0054409 [0,0,0,1,1,0|2,0,0]=4 79 B8R1.3 O=C1CCC(F)CC1 CS-0091730 [0,0,0,1,1,0|1,0,0]=3 80 B8R1.3 O=C1CCC(O)CC1 CS-D0911 [0,0,0,1,1,0|1,0,0]=3 81 B8R1.23 CC(=O)C1CC(O)C1 CS-0052885 [0,0,0,1,1,0|1,0,0]=3 82 B8R1.23 CC(=O)N1CC(N)C1 CS-0052895 [0,0,0,1,1,0|2,0,0]=4 83 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 CS-0045557 [0,0,0,1,1,0|1,0,0]=3 84 B8R1.23 C[C@H]1C[C@H](C(=O)O)C1 CS-0045556 [0,0,0,1,1,0|1,0,0]=3 85 B8R1.23 NC1CC(C(=O)O)C1 CS-0051537 [0,0,0,1,1,0|2,0,0]=4 86 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 CS-W022614 [0,0,0,1,1,0|2,0,0]=4 87 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 CS-0047792 [0,0,0,1,1,0|2,0,0]=4 88 B8R1.23 O=C(O)C1CC(F)C1 CS-0036337 [0,0,0,1,1,0|2,0,0]=4 89 B8R1.23 O=C(O)[C@H]1C[C@@H](F)C1 CS-0049707 [0,0,0,1,1,0|2,0,0]=4 90 B8R1.23 O=C(O)[C@H]1C[C@H](Cl)C1 CS-0047788 [0,0,0,1,1,0|2,0,0]=4 91 B8R1.23 O=C(O)[C@H]1C[C@H](F)C1 CS-0047785 [0,0,0,1,1,0|2,0,0]=4 92 B8R1.51 CC1(C)C=CC(=O)C1 CS-0061115 [0,0,0,1,1,0|0,0,2]=4 93 B8R1.51 CC1(C)CC(=O)NO1 CS-0067871 [0,0,0,1,1,0|2,0,0]=4 94 B8R1.51 CC1(C)CCC(=O)O1 CS-0061120 [0,0,0,1,1,0|1,0,0]=3 95 B8R1.51 CC1(C)COC(O)=N1 CS-W011238 [0,0,0,1,1,0|1,0,1]=4 96 B8R1.51 O=C1CCC(F)(F)C1 CS-0069562 [0,0,0,1,1,0|2,0,0]=4 97 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 CS-0053603 [0,0,0,1,0,1|1,0,1]=4 98 B10R1.54 CC(C)C[C@@H]1CNC(=O)C1 CS-0096516 [0,0,0,1,0,1|1,0,0]=3 99 B10R1.54 CC(C)C[C@H]1CNC(=O)C1 CS-0094681 [0,0,0,1,0,1|1,0,0]=3 100 B10R1.113 CC(=O)N1CCNC(C)C1 CS-0108663 [0,0,0,1,0,1|1,0,0]=3 101 B10R1.113 CC(=O)N1CCN[C@H](C)C1 CS-0100767 [0,0,0,1,0,1|1,0,0]=3 102 B10R1.113 CC1CC(C(=O)O)CCN1 CS-0056620 [0,0,0,1,0,1|2,0,0]=4 103 B10R1.113 CN(C)C1CCCC(=O)C1 CS-0068902 [0,0,0,1,0,1|2,0,0]=4 104 B10R1.128 CC1(C)CCNC1C(=O)O CS-0051613 [0,0,0,1,0,1|2,0,0]=4 105 B10R1.128 CC1(C)CNCC1C(=O)O CS-0019016 [0,0,0,1,0,1|2,0,0]=4 106 B10R1.361 CC(C)N1CC[C@H]1C(=O)O CS-0052349 [0,0,0,1,0,1|2,0,0]=4 107 B10R1.13 CC(=O)N1CCC(Br)CC1 CS-0038702 [0,1,0,1,0,0|2,0,0]=4 108 B10R1.13 C[C@@H]1CC[C@H](C(=O)O)NC1 CS-0092847 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.14 COC(=O)C1CCC(Br)C1 CS-0049106 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.14 COC(=O)[C@@H]1CC[C@@H](N)C1 CS-0049309 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.14 COC(=O)[C@@H]1CC[C@@H](O)C1 CS-0055660 [0,1,0,1,0,0|2,0,0]=4 112 B10R1.14 COC(=O)[C@@H]1CC[C@H](N)C1 CS-0049307 [0,1,0,1,0,0|2,0,0]=4 113 B10R1.14 COC(=O)[C@H]1CC[C@@H](C)N1 CS-0098427 [0,1,0,1,0,0|2,0,0]=4 114 B10R1.14 COC(=O)[C@H]1CC[C@@H](O)C1 CS-0048900 [0,1,0,1,0,0|2,0,0]=4 115 B10R1.14 COC(=O)[C@H]1CC[C@H](Br)C1 CS-0049300 [0,1,0,1,0,0|2,0,0]=4 116 B10R1.14 COC(=O)[C@H]1CC[C@H](N)C1 CS-0058623 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.31 CC(=O)N1CCC(CO)C1 CS-0052677 [0,1,0,1,0,0|1,0,0]=3 118 B10R1.150 COC(=O)CC1CC(O)C1 CS-0049208 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.171 CC1(C)CC(CO)CCO1 CS-0106034 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.194 C[C@@H]1CC[C@@H](C(=O)O)N1C CS-0053406 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.301 CC1CCCC(C)(C)C1=O CS-0113167 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.83 CC1(C)[C@@H](N)C[C@H]1C(=O)O CS-0049717 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.359 CC(=O)C1CCC(F)(F)C1 CS-0049587 [0,1,0,1,0,0|2,0,0]=4 124 B10R2.14 O=C1CC(C2CC2)CN1 CS-0006071 [0,0,0,2,0,0|1,0,0]=3 125 B10R2.178 O=C1CCC2CCC1N2 CS-0049978 [0,0,0,2,0,0|2,0,0]=4 126 B10R2.348 O=C(O)C12CCC(C1)C2 CS-0092006 [0,0,0,2,0,0|2,0,0]=4 127 B10R2.357 O=C(O)C1CC2CC2C1 CS-0046676 [0,0,0,2,0,0|2,0,0]=4 128 B10R2.315 O=C1CC2(C1)CC(O)C2 CS-0067008 [0,0,0,2,0,0|2,0,0]=4 129 B10R2.365 O=C(O)CC12CC(C1)C2 CS-0049789 [0,0,0,2,0,0|2,0,0]=4 130 B10R2.534 O=C1CCCC2(CC2)C1 CS-0048695 [0,0,0,2,0,0|1,0,0]=3 131 B10R2.534 O=C1CCOC2(CC2)C1 CS-0046467 [0,0,0,2,0,0|2,0,0]=4 132 B10R2.633 O=C(O)C1CC1C2CC2 CS-0051912 [0,0,0,2,0,0|2,0,0]=4