0 B9R0.39 CC(=O)N[C@H](CO)C(=O)O CS-0139824 [0,0,0,0,0,0|0,1,0]=1 1 B9R0.39 CCC(CC(C)C)C(=O)O CS-0242421 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CNC(CC(=O)O)C(=O)O CS-0208899 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.39 COC(CC(=O)O)C(=O)O CS-0539587 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.39 NCC(CC(=O)O)C(=O)O CS-0224627 [0,0,0,0,0,0|3,0,0]=3 5 B8R0.15 CCC[C@H](CO)C(=O)O CS-0466750 [1,0,0,0,0,0|1,1,1]=4 6 B8R0.15 CCOC(CC)C(=O)O CS-0251354 [1,0,0,0,0,0|2,0,1]=4 7 B8R0.16 CC[C@@H](CO)NC(C)=O CS-0687322 [1,0,0,0,0,0|1,0,1]=3 8 B8R0.23 C=C(C)CC(C)C(=O)O CS-0233161 [1,0,0,0,0,0|2,0,0]=3 9 B8R0.23 CC(=O)C(C)CC(=O)O CS-0205112 [1,0,0,0,0,0|3,0,0]=4 10 B8R0.23 CC(=O)CC(O)C(C)=O CS-0615715 [1,0,0,0,0,0|2,1,0]=4 11 B8R0.23 CC(=O)OC(C)C(=O)O CS-0204661 [1,0,0,0,0,0|1,0,0]=2 12 B8R0.23 CC(C)CC(C)C(=O)O CS-0609945 [1,0,0,0,0,0|2,0,1]=4 13 B8R0.23 CC(C)NC(C)C(=O)O CS-0249471 [1,0,0,0,0,0|1,0,1]=3 14 B8R0.23 CC(CN(C)C)C(=O)O CS-0207720 [1,0,0,0,0,0|3,0,0]=4 15 B8R0.23 NC(=O)C[C@@H](O)C(=O)O CS-0224021 [1,0,0,0,0,0|2,1,0]=4 16 B8R0.23 N[C@@H](CC(=O)O)C(=O)O CS-W013997 [1,0,0,0,0,0|3,0,0]=4 17 B8R0.23 O=C(O)CC(O)C(=O)O CS-0511758 [1,0,0,0,0,0|2,1,0]=4 18 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O CS-0452070 [1,0,0,0,0,0|3,0,0]=4 19 B8R0.23 O=C(O)C[C@H](F)C(=O)O CS-0516920 [1,0,0,0,0,0|3,0,0]=4 20 B10R0.23 CCCC(CC(C)=O)C(=O)O CS-0313443 [0,1,0,0,0,0|2,0,0]=3 21 B10R0.23 CCC[C@@H](NC(N)=O)C(=O)O CS-0230246 [0,1,0,0,0,0|2,0,0]=3 22 B10R0.23 CCC[C@H](NC(C)=O)C(=O)O CS-0447481 [0,1,0,0,0,0|1,0,0]=2 23 B10R0.23 CNCC(NC(C)=O)C(=O)O CS-0161289 [0,1,0,0,0,0|1,0,0]=2 24 B10R0.53 CCC(NC(=O)CCl)C(=O)O CS-0207107 [0,1,0,0,0,0|1,0,0]=2 25 B10R0.53 CC[C@@H](NC(=O)OC)C(=O)O CS-0134020 [0,1,0,0,0,0|1,0,0]=2 26 B10R0.53 CC[C@H](NC(=O)OC)C(=O)O CS-0134022 [0,1,0,0,0,0|1,0,0]=2 27 B10R0.119 CCC(C)(NC(C)=O)C(N)=S CS-0244901 [0,1,0,0,0,0|2,1,0]=4 28 B10R0.162 CC(=O)O[C@@H](C(=O)O)C(C)C CS-M0921 [0,1,0,0,0,0|2,0,0]=3 29 B10R0.162 CC(C)C(CC(=O)O)C(=O)O CS-0525007 [0,1,0,0,0,0|3,0,0]=4 30 B10R0.162 CC(C)NC(C(=O)O)C(C)C CS-0249482 [0,1,0,0,0,0|2,0,1]=4 31 B10R0.162 CC(C)[C@H](NC(N)=O)C(=O)O CS-0263500 [0,1,0,0,0,0|2,0,0]=3 32 B10R0.162 CC(O)C(NC(N)=O)C(=O)O CS-0244892 [0,1,0,0,0,0|1,1,0]=3 33 B10R1.64 CC(=O)NC1CCOC1=O CS-0687393 [0,0,0,1,0,0|1,0,0]=2 34 B10R1.64 CC(=O)N[C@H]1CCC[C@@H]1O CS-0492959 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.64 CC(=O)OC1CCNC1=O CS-0061077 [0,0,0,1,0,0|3,0,0]=4 36 B10R1.113 O=C1CCC[C@@H](C(=O)O)C1 CS-0309668 [0,0,0,1,0,0|2,0,0]=3 37 B10R1.113 O=C1CCNC(C(=O)O)C1 CS-0476424 [0,0,0,1,0,0|3,0,0]=4 38 B10R1.113 O=C1CCN[C@H](C(=O)O)C1 CS-0318767 [0,0,0,1,0,0|3,0,0]=4 39 B10R1.113 O=C1CNCC(C(=O)O)N1 CS-0692950 [0,0,0,1,0,0|1,0,0]=2 40 B10R1.234 CSC1(C(=O)O)CC(=O)C1 CS-0222686 [0,0,0,1,0,0|3,0,0]=4 41 B10R1.234 N#CC1(C(=O)O)CC(=O)C1 CS-0235000 [0,0,0,1,0,0|2,0,1]=4 42 B10R1.359 CC1(C)CCC(C(=O)O)N1 CS-0055105 [0,0,0,1,0,0|2,0,1]=4 43 B10R1.359 CC1(C)CCC(C(=O)O)N1 CS-0495421 [0,0,0,1,0,0|2,0,1]=4 44 B10R1.361 CC(=O)N1CCC1C(=O)O CS-0452741 [0,0,0,1,0,0|1,0,0]=2 45 B10R1.361 CC(=O)N1CC[C@H]1C(=O)O CS-0309825 [0,0,0,1,0,0|1,0,0]=2 46 B10R1.361 O=C(O)C1CCC1C(=O)O CS-0049639 [0,0,0,1,0,0|3,0,0]=4 47 B10R1.361 O=C(O)[C@H]1CC[C@@H]1C(=O)O CS-0492349 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.442 O=C(O)CC1(C(=O)O)CC1 CS-0310305 [0,0,0,1,0,0|3,0,0]=4 49 B8R0.18 CC(C)C(CO)C(=O)O CS-0235141 [0,0,0,0,1,0|1,1,1]=4 50 B8R0.18 CCC(C(=O)O)C(C)O CS-0236825 [0,0,0,0,1,0|1,0,2]=4 51 B8R0.18 CCC(C(=O)O)N(C)C CS-0464302 [0,0,0,0,1,0|3,0,0]=4 52 B7R0.5 CCNC(C)C(=O)O CS-0524761 [2,0,0,0,0,0|0,0,1]=3 53 B7R0.5 CCNC(C)C(N)=O CS-0323954 [2,0,0,0,0,0|1,0,1]=4 54 B7R0.5 CCN[C@@H](C)C(=O)O CS-0524772 [2,0,0,0,0,0|0,0,1]=3 55 B7R0.5 CCN[C@H](C)C(=O)O CS-0457913 [2,0,0,0,0,0|0,0,1]=3 56 B7R0.5 CCSC(C)C(=O)O CS-0449712 [2,0,0,0,0,0|1,0,1]=4 57 B7R0.15 CCC(CN)C(=O)O CS-0680219 [2,0,0,0,0,0|1,0,1]=4 58 B7R0.15 CCC(NC)C(N)=O CS-0895915 [2,0,0,0,0,0|2,0,0]=4 59 B7R0.15 CCC(OC)C(=O)O CS-0252116 [2,0,0,0,0,0|2,0,0]=4 60 B7R0.15 CNC(CS)C(=O)O CS-0301359 [2,0,0,0,0,0|0,0,0]=2 61 B7R0.15 CO[C@@H](CN)C(=O)O CS-1055675 [2,0,0,0,0,0|2,0,0]=4 62 B7R0.2 CC(=O)NC(C)CN CS-0521164 [2,0,0,0,0,0|1,0,1]=4 63 B7R0.6 CC(C)=CCC(=O)O CS-0453086 [2,0,0,0,0,0|2,0,0]=4 64 B7R0.6 CC(C)NCC(=O)O CS-0274531 [2,0,0,0,0,0|1,0,1]=4 65 B7R0.6 O=C(O)CCC(=O)O CS-0912129 [2,0,0,0,0,0|2,0,0]=4 66 B9R0.29 CCC(C(=O)O)N(C)CC CS-0338658 [1,1,0,0,0,0|1,0,1]=4 67 B9R0.33 CC(C)C(NC=O)C(=O)O CS-0273682 [1,1,0,0,0,0|1,0,0]=3 68 B9R0.23 COC(=O)[C@H](C)CC(=O)[O-] CS-0468409 [1,1,0,0,0,0|2,0,0]=4 69 B9R0.42 CCC(=O)CC(N)C(=O)O CS-0231988 [1,1,0,0,0,0|2,0,0]=4 70 B9R0.42 CNC(=O)N[C@@H](C)C(=O)O CS-0263365 [1,1,0,0,0,0|0,0,0]=2 71 B9R0.42 CNC(=O)N[C@H](C)C(=O)O CS-0244864 [1,1,0,0,0,0|0,0,0]=2 72 B9R0.79 CC(C(=O)O)C(O)C(=O)O CS-0225754 [1,1,0,0,0,0|2,0,0]=4 73 B11R0.32 CC(=O)N[C@@H](CC(=O)O)C(N)=O CS-0262404 [0,1,0,0,0,1|0,1,1]=4 74 B11R0.39 COC(=O)C(CCBr)OC(C)=O CS-0455542 [0,2,0,0,0,0|2,0,0]=4 75 B11R0.115 CC[C@H](C)[C@H](NC(N)=O)C(=O)O CS-0263499 [0,2,0,0,0,0|2,0,0]=4 76 B11R0.115 COC(=O)[C@@H](NC(C)=O)[C@@H](C)O CS-0361913 [0,2,0,0,0,0|0,1,0]=3 77 B11R0.160 CCCCC(NC(C)=O)C(=O)O CS-0201802 [0,2,0,0,0,0|1,0,0]=3 78 B11R0.160 CSCCC(NC(N)=O)C(N)=O CS-0902568 [0,2,0,0,0,0|2,0,0]=4 79 B11R0.108 CC(=O)C(NC(=O)CCl)C(C)C CS-0243224 [0,2,0,0,0,0|2,0,0]=4 80 B11R0.108 CCC(=O)N[C@H](C(=O)O)C(C)C CS-0273294 [0,2,0,0,0,0|1,0,0]=3 81 B11R0.426 CC(C)C(NS(C)(=O)=O)C(=O)O CS-0945717 [0,2,0,0,0,0|2,0,0]=4 82 B11R0.234 CC(=O)NC(C(=O)O)C(C)(C)C CS-0519372 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.6 NC(=O)C1CSCCN1 CS-0308503 [1,0,0,1,0,0|1,0,1]=4 84 B9R1.6 O=C(O)C1CCCNN1 CS-0758014 [1,0,0,1,0,0|2,0,0]=4 85 B9R1.6 O=C(O)C1CCCSC1 CS-0047855 [1,0,0,1,0,0|1,0,1]=4 86 B9R1.6 O=C(O)[C@@H]1CCCNN1 CS-0436367 [1,0,0,1,0,0|2,0,0]=4 87 B9R1.6 O=C(O)[C@H]1CNCCN1 CS-0511097 [1,0,0,1,0,0|1,0,1]=4 88 B9R1.6 O=C(O)[C@H]1CSCCN1 CS-0005338 [1,0,0,1,0,0|0,0,1]=3 89 B9R1.22 O=C1NC(=O)[C@H](CO)N1 CS-0222952 [1,0,0,1,0,0|1,1,0]=4 90 B9R1.35 CC1=NC(C(=O)O)CC1 CS-0664249 [1,0,0,1,0,0|1,0,1]=4 91 B9R1.35 C[C@@H]1CC[C@H](C(=O)O)N1 CS-0309404 [1,0,0,1,0,0|1,0,1]=4 92 B9R1.35 C[C@H]1CC[C@@H](C(=O)O)N1 CS-0184631 [1,0,0,1,0,0|1,0,1]=4 93 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 CS-0184567 [1,0,0,1,0,0|1,0,1]=4 94 B9R1.35 O=C1NC(C(=O)O)CO1 CS-0238859 [1,0,0,1,0,0|0,1,0]=3 95 B9R1.35 O=C1NC(C(=O)O)CS1 CS-0727383 [1,0,0,1,0,0|0,0,0]=2 96 B9R1.35 O=C1NCC(C(=O)O)O1 CS-0029944 [1,0,0,1,0,0|2,0,0]=4 97 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O CS-0089000 [1,0,0,1,0,0|1,0,1]=4 98 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F CS-0505808 [1,0,0,1,0,0|1,0,1]=4 99 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O CS-0053473 [1,0,0,1,0,0|0,1,1]=4 100 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F CS-0505766 [1,0,0,1,0,0|1,0,1]=4 101 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O CS-0049702 [1,0,0,1,0,0|0,1,1]=4 102 B9R1.2 O=C1CCC[C@H](CO)N1 CS-0214865 [1,0,0,1,0,0|1,0,1]=4 103 B9R1.69 CC1CC(=O)CCC1=O CS-0906629 [1,0,0,1,0,0|2,0,0]=4 104 B9R1.69 CC1NC(=O)COC1=O CS-0222106 [1,0,0,1,0,0|0,0,0]=2 105 B9R1.152 C=C1CC(C)(C(=O)O)C1 CS-0052448 [1,0,0,1,0,0|2,0,0]=4 106 B9R1.152 NC1(C(=O)O)CC(=O)C1 CS-0747342 [1,0,0,1,0,0|2,0,0]=4 107 B9R1.161 NC(=O)C1CC1C(=O)O CS-0051983 [1,0,0,1,0,0|2,0,0]=4 108 B11R1.645 CC(=O)N[C@H]1CC(=O)OC1=O CS-0159208 [0,0,0,1,0,1|0,1,1]=4 109 B11R1.175 CC(=O)N1CCC(C(=O)O)C1 CS-0467569 [0,0,0,1,0,1|1,0,0]=3 110 B11R1.565 O=C1CCCC(C(=O)O)CC1 CS-0171556 [0,0,0,1,0,1|2,0,0]=4 111 B11R1.497 O=C1CCCCC(C(=O)O)C1 CS-0239703 [0,1,0,1,0,0|2,0,0]=4 112 B11R1.497 O=C1CCCCC(C(=O)O)N1 CS-0261798 [0,1,0,1,0,0|1,0,0]=3 113 B11R1.929 CC(=O)NC1(C(=O)O)CCC1 CS-0225942 [0,1,0,1,0,0|1,0,0]=3 114 B11R1.21 CN1CC[C@@H](C(=O)O)CC1=O CS-0477568 [0,1,0,1,0,0|2,0,0]=4 115 B11R1.21 CN1CC[C@H](C(=O)O)CC1=O CS-0477569 [0,1,0,1,0,0|2,0,0]=4 116 B11R1.489 CC1(C)CC(=O)NC1C(=O)O CS-0183814 [0,1,0,1,0,0|1,0,0]=3 117 B11R2.47 O=C1NC2CCC1NC2=O CS-0439624 [0,0,0,2,0,0|2,0,0]=4 118 B7R0.16 CC(C(=O)O)N(C)C CS-0205349 [1,0,0,0,1,0|2,0,0]=4 119 B7R0.16 CC(C(=O)O)N(C)C CS-0447938 [1,0,0,0,1,0|2,0,0]=4 120 B7R0.16 CC(C)=C(C)C(=O)O CS-0229947 [1,0,0,0,1,0|1,0,1]=4 121 B7R0.16 CC(C)[C@@H](C)C(=O)O CS-0273260 [1,0,0,0,1,0|1,0,1]=4 122 B7R0.16 CC(C)[C@H](C)C(=O)O CS-0447089 [1,0,0,0,1,0|1,0,1]=4 123 B9R0.7 CC(=O)SC[C@H](N)C(=O)O CS-0914560 [1,0,0,0,0,1|2,0,0]=4 124 B9R0.7 C[C@H](CCC(=O)O)C(=O)O CS-0063209 [1,0,0,0,0,1|2,0,0]=4