0 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [0,0,0,0,0,0|1,0,3]=4 1 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [0,0,0,0,0,0|0,0,2]=2 4 B9R1.6 C1(CNCCN1)C(=O)O MCULE-2145678876 [0,0,0,0,0,0|1,0,1]=2 5 B9R1.6 C1(CNCCN1)C(=O)O MCULE-9477513225 [0,0,0,0,0,0|1,0,1]=2 6 B9R1.6 C1(COCCN1)C(=O)O MCULE-7653061162 [0,0,0,0,0,0|2,0,1]=3 7 B9R1.6 C1(COCCN1)C(=O)O MCULE-8375563970 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.6 C=C(O)C1CNCCN1 MCULE-4032832858 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.6 C=C(O)C1CNCCN1 MCULE-7014741917 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.6 CC(=O)C1=CCCCC1 MCULE-9958324589 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.6 CC(=O)C1=CSCCN1 MCULE-8962394930 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8103583007 [0,0,0,0,0,0|3,0,0]=3 13 B9R1.6 CC(=O)C1=NCCCC1 MCULE-8275418154 [0,0,0,0,0,0|3,0,0]=3 14 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [0,0,0,0,0,0|2,0,2]=4 15 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [0,0,0,0,0,0|1,0,2]=3 19 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [0,0,0,0,0,0|1,0,2]=3 20 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [0,0,0,0,0,0|2,0,2]=4 21 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [0,0,0,0,0,0|2,0,1]=3 22 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [0,0,0,0,0,0|3,0,1]=4 27 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [0,0,0,0,0,0|3,0,1]=4 28 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 CC(N)C1=CCCCC1 MCULE-5707046388 [0,0,0,0,0,0|3,0,1]=4 31 B9R1.6 CC(N)C1=CCCCC1 MCULE-8715470831 [0,0,0,0,0,0|3,0,1]=4 32 B9R1.6 CC(O)C1=CCCOC1 MCULE-6412552042 [0,0,0,0,0,0|2,0,1]=3 33 B9R1.6 CC(O)C1CCCNC1 MCULE-2671166499 [0,0,0,0,0,0|1,0,3]=4 34 B9R1.6 CC(O)C1CCCNC1 MCULE-3528761801 [0,0,0,0,0,0|1,0,3]=4 35 B9R1.6 CC(O)C1CNCCN1 MCULE-7562437820 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 CC(O)C1CNCCO1 MCULE-5611108274 [0,0,0,0,0,0|2,0,2]=4 37 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-2168214783 [0,0,0,0,0,0|2,0,2]=4 38 B9R1.6 C[C@@H](O)[C@H]1CNCCN1 MCULE-8290718551 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.6 N=C(N)C1CCCNC1 MCULE-1952956995 [0,0,0,0,0,0|2,0,2]=4 40 B9R1.6 N=C(N)C1CCCNC1 MCULE-5965162460 [0,0,0,0,0,0|2,0,2]=4 41 B9R1.6 NC(=O)C1=CNC=CC1 MCULE-5235252463 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.6 NC(=O)C1=CNCCC1 MCULE-5396085408 [0,0,0,0,0,0|1,0,2]=3 43 B9R1.6 NC(=O)C1=COCCC1 MCULE-1179770781 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [0,0,0,0,0,0|2,0,2]=4 45 B9R1.6 NC(=O)C1CCCCN1 MCULE-2544126054 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.6 NC(=O)C1CCCCN1 MCULE-6661716686 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [0,0,0,0,0,0|1,0,2]=3 48 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [0,0,0,0,0,0|1,0,2]=3 49 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [0,0,0,0,0,0|2,0,2]=4 50 B9R1.6 NC(=O)C1CNCCN1 MCULE-6032361805 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.6 NC(=O)C1CNCCN1 MCULE-7459621704 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.6 NC(=O)C1CNCCO1 MCULE-7045289444 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.6 NC(=O)C1CNCCO1 MCULE-8403360257 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.6 NC(=O)C1CNCCO1 MCULE-8477654103 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.6 NC(=O)C1COCCN1 MCULE-3997305592 [0,0,0,0,0,0|3,0,1]=4 56 B9R1.6 NC(=O)C1COCCN1 MCULE-8679226087 [0,0,0,0,0,0|3,0,1]=4 57 B9R1.6 NC(=O)C1CSCCN1 MCULE-5519659168 [0,0,0,0,0,0|3,0,1]=4 58 B9R1.6 NC(=O)N1CCCCC1 MCULE-9935688246 [0,0,0,0,0,0|3,0,1]=4 59 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [0,0,0,0,0,0|1,0,2]=3 60 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [0,0,0,0,0,0|1,0,2]=3 61 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [0,0,0,0,0,0|1,0,2]=3 62 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [0,0,0,0,0,0|1,0,2]=3 63 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3203472135 [0,0,0,0,0,0|2,0,1]=3 64 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-3866777440 [0,0,0,0,0,0|2,0,1]=3 65 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-6105431602 [0,0,0,0,0,0|2,0,1]=3 66 B9R1.6 NC(=O)[C@@H]1CNCCN1 MCULE-7727900968 [0,0,0,0,0,0|2,0,1]=3 67 B9R1.6 NC(=O)[C@H]1CCCCN1 MCULE-5554529404 [0,0,0,0,0,0|3,0,1]=4 68 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [0,0,0,0,0,0|1,0,2]=3 69 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [0,0,0,0,0,0|1,0,2]=3 70 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [0,0,0,0,0,0|1,0,2]=3 71 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [0,0,0,0,0,0|1,0,2]=3 72 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-1527418805 [0,0,0,0,0,0|2,0,1]=3 73 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-6529490056 [0,0,0,0,0,0|2,0,1]=3 74 B9R1.6 NC(=O)[C@H]1CNCCN1 MCULE-9894216692 [0,0,0,0,0,0|2,0,1]=3 75 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-1904729907 [0,0,0,0,0,0|3,0,1]=4 76 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7069433109 [0,0,0,0,0,0|3,0,1]=4 77 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-7970834070 [0,0,0,0,0,0|3,0,1]=4 78 B9R1.6 NC(=O)[C@H]1COCCN1 MCULE-9117686776 [0,0,0,0,0,0|3,0,1]=4 79 B9R1.6 O=C(Cl)C1=CCCCC1 MCULE-8228686007 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.6 O=C(Cl)C1=CCOCC1 MCULE-9144118947 [0,0,0,0,0,0|3,0,0]=3 81 B9R1.6 O=C(Cl)C1=COCCO1 MCULE-9393230121 [0,0,0,0,0,0|3,0,1]=4 82 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [0,0,0,0,0,0|2,0,2]=4 83 B9R1.6 O=C(Cl)C1CCCCO1 MCULE-2871405989 [0,0,0,0,0,0|3,0,1]=4 84 B9R1.6 O=C(Cl)N1CCCCC1 MCULE-8197895576 [0,0,0,0,0,0|3,0,1]=4 85 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-4193677899 [0,0,0,0,0,0|1,0,3]=4 86 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-4467353796 [0,0,0,0,0,0|1,0,3]=4 87 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-5568997402 [0,0,0,0,0,0|1,0,3]=4 88 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-5754802516 [0,0,0,0,0,0|1,0,3]=4 89 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-6090736102 [0,0,0,0,0,0|1,0,3]=4 90 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-6741432668 [0,0,0,0,0,0|1,0,3]=4 91 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-7145299919 [0,0,0,0,0,0|1,0,3]=4 92 B9R1.6 O=C(O)C1=CC=CC=C1 MCULE-8355780752 [0,0,0,0,0,0|1,0,3]=4 93 B9R1.6 O=C(O)C1=CC=CC=N1 MCULE-6881755701 [0,0,0,0,0,0|2,0,2]=4 94 B9R1.6 O=C(O)C1=CC=CN=C1 MCULE-3788394698 [0,0,0,0,0,0|0,0,4]=4 95 B9R1.6 O=C(O)C1=CC=NC=C1 MCULE-4582819440 [0,0,0,0,0,0|2,0,2]=4 96 B9R1.6 O=C(O)C1=CC=NC=N1 MCULE-5378963231 [0,0,0,0,0,0|3,0,1]=4 97 B9R1.6 O=C(O)C1=CCCCC1 MCULE-1482472372 [0,0,0,0,0,0|1,0,0]=1 98 B9R1.6 O=C(O)C1=CCCCO1 MCULE-8158964792 [0,0,0,0,0,0|2,0,0]=2 99 B9R1.6 O=C(O)C1=CCCNC1 MCULE-7878143035 [0,0,0,0,0,0|0,0,0]=0 100 B9R1.6 O=C(O)C1=CCCNC1 MCULE-9382105537 [0,0,0,0,0,0|0,0,0]=0 101 B9R1.6 O=C(O)C1=CCCOC1 MCULE-4597846034 [0,0,0,0,0,0|1,0,0]=1 102 B9R1.6 O=C(O)C1=CCCSC1 MCULE-6991730217 [0,0,0,0,0,0|1,0,0]=1 103 B9R1.6 O=C(O)C1=CCNCC1 MCULE-7813592729 [0,0,0,0,0,0|2,0,0]=2 104 B9R1.6 O=C(O)C1=CCNCC1 MCULE-9446043448 [0,0,0,0,0,0|2,0,0]=2 105 B9R1.6 O=C(O)C1=CCOCC1 MCULE-8602474600 [0,0,0,0,0,0|2,0,0]=2 106 B9R1.6 O=C(O)C1=CN=CC=C1 MCULE-6679024547 [0,0,0,0,0,0|0,0,4]=4 107 B9R1.6 O=C(O)C1=CN=CC=N1 MCULE-8414492991 [0,0,0,0,0,0|3,0,1]=4 108 B9R1.6 O=C(O)C1=CN=CN=C1 MCULE-5896698235 [0,0,0,0,0,0|1,0,3]=4 109 B9R1.6 O=C(O)C1=CN=NC=C1 MCULE-6655616758 [0,0,0,0,0,0|1,0,3]=4 110 B9R1.6 O=C(O)C1=COCCC1 MCULE-4203786677 [0,0,0,0,0,0|2,0,0]=2 111 B9R1.6 O=C(O)C1=COCCO1 MCULE-9406944236 [0,0,0,0,0,0|2,0,1]=3 112 B9R1.6 O=C(O)C1=NC=CC=C1 MCULE-1025041475 [0,0,0,0,0,0|2,0,2]=4 113 B9R1.6 O=C(O)C1=NN=CC=C1 MCULE-1209477716 [0,0,0,0,0,0|1,0,3]=4 114 B9R1.6 O=C(O)C1=NN=CC=C1 MCULE-8785090866 [0,0,0,0,0,0|1,0,3]=4 115 B9R1.6 O=C(O)C1=NNCCC1 MCULE-7500831474 [0,0,0,0,0,0|1,0,1]=2 116 B9R1.6 O=C(O)C1C=CCC=C1 MCULE-1209088345 [0,0,0,0,0,0|1,0,3]=4 117 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [0,0,0,0,0,0|1,0,2]=3 118 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [0,0,0,0,0,0|1,0,3]=4 119 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [0,0,0,0,0,0|2,0,2]=4 120 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [0,0,0,0,0,0|1,0,2]=3 121 B9R1.6 O=C(O)C1CCCCN1 MCULE-3485439173 [0,0,0,0,0,0|2,0,1]=3 122 B9R1.6 O=C(O)C1CCCCN1 MCULE-4576094783 [0,0,0,0,0,0|2,0,1]=3 123 B9R1.6 O=C(O)C1CCCCN1 MCULE-4851525706 [0,0,0,0,0,0|2,0,1]=3 124 B9R1.6 O=C(O)C1CCCCN1 MCULE-6801625058 [0,0,0,0,0,0|2,0,1]=3 125 B9R1.6 O=C(O)C1CCCCO1 MCULE-8947688342 [0,0,0,0,0,0|2,0,1]=3 126 B9R1.6 O=C(O)C1CCCCS1 MCULE-6466357833 [0,0,0,0,0,0|2,0,1]=3 127 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [0,0,0,0,0,0|0,0,2]=2 128 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [0,0,0,0,0,0|0,0,2]=2 129 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [0,0,0,0,0,0|0,0,2]=2 130 B9R1.6 O=C(O)C1CCCNN1 MCULE-1480488255 [0,0,0,0,0,0|1,0,2]=3 131 B9R1.6 O=C(O)C1CCCNN1 MCULE-3054116225 [0,0,0,0,0,0|1,0,2]=3 132 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [0,0,0,0,0,0|1,0,2]=3 133 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [0,0,0,0,0,0|1,0,2]=3 134 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [0,0,0,0,0,0|2,0,2]=4 135 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [0,0,0,0,0,0|2,0,2]=4 136 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [0,0,0,0,0,0|2,0,2]=4 137 B9R1.6 O=C(O)C1CCOCN1 MCULE-2724570105 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.6 O=C(O)C1CCOCN1 MCULE-7891527992 [0,0,0,0,0,0|3,0,1]=4 139 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [0,0,0,0,0,0|2,0,2]=4 140 B9R1.6 O=C(O)C1CCSCN1 MCULE-7351632016 [0,0,0,0,0,0|3,0,1]=4 141 B9R1.6 O=C(O)C1CCSCN1 MCULE-7786919982 [0,0,0,0,0,0|3,0,1]=4 142 B9R1.6 O=C(O)C1CNCCN1 MCULE-2689074129 [0,0,0,0,0,0|1,0,1]=2 143 B9R1.6 O=C(O)C1CNCCN1 MCULE-4697614875 [0,0,0,0,0,0|1,0,1]=2 144 B9R1.6 O=C(O)C1CNCCN1 MCULE-7015381558 [0,0,0,0,0,0|1,0,1]=2 145 B9R1.6 O=C(O)C1CNCCO1 MCULE-1106448255 [0,0,0,0,0,0|1,0,1]=2 146 B9R1.6 O=C(O)C1CNCCO1 MCULE-5402647836 [0,0,0,0,0,0|1,0,1]=2 147 B9R1.6 O=C(O)C1CNCCO1 MCULE-5647993069 [0,0,0,0,0,0|1,0,1]=2 148 B9R1.6 O=C(O)C1CNCCO1 MCULE-6949638629 [0,0,0,0,0,0|1,0,1]=2 149 B9R1.6 O=C(O)C1CNCCS1 MCULE-3981762124 [0,0,0,0,0,0|1,0,1]=2 150 B9R1.6 O=C(O)C1CNCCS1 MCULE-4631923202 [0,0,0,0,0,0|1,0,1]=2 151 B9R1.6 O=C(O)C1COCCN1 MCULE-2235592409 [0,0,0,0,0,0|2,0,1]=3 152 B9R1.6 O=C(O)C1COCCN1 MCULE-6865044459 [0,0,0,0,0,0|2,0,1]=3 153 B9R1.6 O=C(O)C1COCCO1 MCULE-3887767361 [0,0,0,0,0,0|2,0,1]=3 154 B9R1.6 O=C(O)C1COCCO1 MCULE-6027603960 [0,0,0,0,0,0|2,0,1]=3 155 B9R1.6 O=C(O)C1COCOC1 MCULE-4867087023 [0,0,0,0,0,0|2,0,2]=4 156 B9R1.6 O=C(O)C1CSCCN1 MCULE-4003309722 [0,0,0,0,0,0|2,0,1]=3 157 B9R1.6 O=C(O)C1CSCCN1 MCULE-5519716572 [0,0,0,0,0,0|2,0,1]=3 158 B9R1.6 O=C(O)C1CSCCS1 MCULE-6267524662 [0,0,0,0,0,0|2,0,1]=3 159 B9R1.6 O=C(O)C1NCCCS1 MCULE-7316372918 [0,0,0,0,0,0|3,0,1]=4 160 B9R1.6 O=C(O)C1OCCCO1 MCULE-6505925267 [0,0,0,0,0,0|3,0,1]=4 161 B9R1.6 O=C(O)C1SCCCS1 MCULE-6447130734 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.6 O=C(O)N1CCCCC1 MCULE-2727154893 [0,0,0,0,0,0|2,0,1]=3 163 B9R1.6 O=C(O)N1CCCCC1 MCULE-4559010344 [0,0,0,0,0,0|2,0,1]=3 164 B9R1.6 O=C(O)N1CCNCC1 MCULE-3508385346 [0,0,0,0,0,0|3,0,1]=4 165 B9R1.6 O=C(O)N1CCOCC1 MCULE-7938310937 [0,0,0,0,0,0|3,0,1]=4 166 B9R1.6 O=C(O)N1CCSCC1 MCULE-4867596495 [0,0,0,0,0,0|3,0,1]=4 167 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [0,0,0,0,0,0|1,0,3]=4 168 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [0,0,0,0,0,0|1,0,3]=4 169 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-3257537289 [0,0,0,0,0,0|2,0,1]=3 170 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-7236775885 [0,0,0,0,0,0|2,0,1]=3 171 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-8859089797 [0,0,0,0,0,0|2,0,1]=3 172 B9R1.6 O=C(O)[C@@H]1CCCCN1 MCULE-9674307172 [0,0,0,0,0,0|2,0,1]=3 173 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-4995364653 [0,0,0,0,0,0|2,0,1]=3 174 B9R1.6 O=C(O)[C@@H]1CCCCO1 MCULE-8767901302 [0,0,0,0,0,0|2,0,1]=3 175 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [0,0,0,0,0,0|0,0,2]=2 176 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [0,0,0,0,0,0|0,0,2]=2 177 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [0,0,0,0,0,0|0,0,2]=2 178 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [0,0,0,0,0,0|0,0,2]=2 179 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-1404699605 [0,0,0,0,0,0|1,0,2]=3 180 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-4463982289 [0,0,0,0,0,0|1,0,2]=3 181 B9R1.6 O=C(O)[C@@H]1CCCNN1 MCULE-6113826647 [0,0,0,0,0,0|1,0,2]=3 182 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [0,0,0,0,0,0|1,0,2]=3 183 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [0,0,0,0,0,0|1,0,2]=3 184 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-2545046706 [0,0,0,0,0,0|1,0,1]=2 185 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-5694807182 [0,0,0,0,0,0|1,0,1]=2 186 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7177432982 [0,0,0,0,0,0|1,0,1]=2 187 B9R1.6 O=C(O)[C@@H]1CNCCN1 MCULE-7413709257 [0,0,0,0,0,0|1,0,1]=2 188 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-3078161658 [0,0,0,0,0,0|1,0,1]=2 189 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-4550123668 [0,0,0,0,0,0|1,0,1]=2 190 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7218215777 [0,0,0,0,0,0|1,0,1]=2 191 B9R1.6 O=C(O)[C@@H]1CNCCO1 MCULE-7983160968 [0,0,0,0,0,0|1,0,1]=2 192 B9R1.6 O=C(O)[C@@H]1CNCCS1 MCULE-6650545170 [0,0,0,0,0,0|1,0,1]=2 193 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-1789021231 [0,0,0,0,0,0|2,0,1]=3 194 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-4026574279 [0,0,0,0,0,0|2,0,1]=3 195 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-7736477261 [0,0,0,0,0,0|2,0,1]=3 196 B9R1.6 O=C(O)[C@@H]1COCCN1 MCULE-8166049277 [0,0,0,0,0,0|2,0,1]=3 197 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-3560012987 [0,0,0,0,0,0|2,0,1]=3 198 B9R1.6 O=C(O)[C@@H]1COCCO1 MCULE-8883141087 [0,0,0,0,0,0|2,0,1]=3 199 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-3905601111 [0,0,0,0,0,0|2,0,1]=3 200 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9668825603 [0,0,0,0,0,0|2,0,1]=3 201 B9R1.6 O=C(O)[C@@H]1CSCCN1 MCULE-9675980130 [0,0,0,0,0,0|2,0,1]=3 202 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [0,0,0,0,0,0|1,0,3]=4 203 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [0,0,0,0,0,0|1,0,3]=4 204 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8281618311 [0,0,0,0,0,0|2,0,1]=3 205 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-8486513131 [0,0,0,0,0,0|2,0,1]=3 206 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9333123477 [0,0,0,0,0,0|2,0,1]=3 207 B9R1.6 O=C(O)[C@H]1CCCCN1 MCULE-9786740249 [0,0,0,0,0,0|2,0,1]=3 208 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-2856988466 [0,0,0,0,0,0|2,0,1]=3 209 B9R1.6 O=C(O)[C@H]1CCCCO1 MCULE-8960602925 [0,0,0,0,0,0|2,0,1]=3 210 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [0,0,0,0,0,0|0,0,2]=2 211 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [0,0,0,0,0,0|0,0,2]=2 212 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [0,0,0,0,0,0|0,0,2]=2 213 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [0,0,0,0,0,0|0,0,2]=2 214 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-5460978548 [0,0,0,0,0,0|1,0,2]=3 215 B9R1.6 O=C(O)[C@H]1CCCNN1 MCULE-6296084302 [0,0,0,0,0,0|1,0,2]=3 216 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [0,0,0,0,0,0|1,0,2]=3 217 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [0,0,0,0,0,0|1,0,2]=3 218 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [0,0,0,0,0,0|1,0,2]=3 219 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-2073761586 [0,0,0,0,0,0|1,0,1]=2 220 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-3099021896 [0,0,0,0,0,0|1,0,1]=2 221 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-5862899979 [0,0,0,0,0,0|1,0,1]=2 222 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-8591926633 [0,0,0,0,0,0|1,0,1]=2 223 B9R1.6 O=C(O)[C@H]1CNCCN1 MCULE-9781518658 [0,0,0,0,0,0|1,0,1]=2 224 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-1051281674 [0,0,0,0,0,0|1,0,1]=2 225 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-2477891803 [0,0,0,0,0,0|1,0,1]=2 226 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-5182952887 [0,0,0,0,0,0|1,0,1]=2 227 B9R1.6 O=C(O)[C@H]1CNCCO1 MCULE-6051376580 [0,0,0,0,0,0|1,0,1]=2 228 B9R1.6 O=C(O)[C@H]1CNCCS1 MCULE-7818958113 [0,0,0,0,0,0|1,0,1]=2 229 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-2388461804 [0,0,0,0,0,0|2,0,1]=3 230 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-3810653827 [0,0,0,0,0,0|2,0,1]=3 231 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-6589310258 [0,0,0,0,0,0|2,0,1]=3 232 B9R1.6 O=C(O)[C@H]1COCCN1 MCULE-9158991594 [0,0,0,0,0,0|2,0,1]=3 233 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-6591475838 [0,0,0,0,0,0|2,0,1]=3 234 B9R1.6 O=C(O)[C@H]1COCCO1 MCULE-9849453248 [0,0,0,0,0,0|2,0,1]=3 235 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-2174373928 [0,0,0,0,0,0|2,0,1]=3 236 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-5936347595 [0,0,0,0,0,0|2,0,1]=3 237 B9R1.6 O=C(O)[C@H]1CSCCN1 MCULE-8464504119 [0,0,0,0,0,0|2,0,1]=3 238 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [0,0,0,0,0,0|1,0,3]=4 239 B9R1.6 O=C([O-])C1CCCCN1 MCULE-2358540296 [0,0,0,0,0,0|2,0,2]=4 240 B9R1.6 O=N(=O)C1=CCCCC1 MCULE-3902997389 [0,0,0,0,0,0|2,0,1]=3 241 B9R1.6 O=N(=O)C1=NNCC=C1 MCULE-5578823908 [0,0,0,0,0,0|2,0,2]=4 242 B9R1.6 O=S(O)C1CCCCC1 MCULE-2447383910 [0,0,0,0,0,0|2,0,2]=4 243 B9R1.6 OB(O)C1=CCCCC1 MCULE-8745726253 [0,0,0,0,0,0|2,0,1]=3 244 B9R1.6 OB(O)C1=CCNCC1 MCULE-1854893784 [0,0,0,0,0,0|3,0,1]=4 245 B9R1.6 OB(O)C1=CCOCC1 MCULE-2818207662 [0,0,0,0,0,0|3,0,1]=4 246 B9R1.6 OB(O)C1=CCSCC1 MCULE-8736552797 [0,0,0,0,0,0|3,0,1]=4 247 B9R1.6 OB(O)C1CCCNC1 MCULE-9145993336 [0,0,0,0,0,0|1,0,3]=4 248 B9R1.6 [C@H]1(CSCCN1)C(=O)O MCULE-2592294388 [0,0,0,0,0,0|2,0,1]=3 249 B8R1.2 BrC=C1CCCCC1 MCULE-1203677785 [1,0,0,0,0,0|2,0,1]=4 250 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [1,0,0,0,0,0|2,0,1]=4 251 B8R1.2 C#CC1=CCCCC1 MCULE-2729587527 [1,0,0,0,0,0|2,0,1]=4 252 B8R1.2 C=CC1CCCNC1 MCULE-4200920592 [1,0,0,0,0,0|1,0,2]=4 253 B8R1.2 C=CC1CCCNC1 MCULE-5849078027 [1,0,0,0,0,0|1,0,2]=4 254 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [1,0,0,0,0,0|2,0,1]=4 255 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [1,0,0,0,0,0|3,0,0]=4 256 B8R1.2 IC=C1CCCCC1 MCULE-9165742833 [1,0,0,0,0,0|2,0,1]=4 257 B8R1.2 N#CC1=CCCCC1 MCULE-7215745635 [1,0,0,0,0,0|2,0,1]=4 258 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [1,0,0,0,0,0|2,0,1]=4 259 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [1,0,0,0,0,0|2,0,1]=4 260 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [1,0,0,0,0,0|2,0,1]=4 261 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [1,0,0,0,0,0|2,0,1]=4 262 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [1,0,0,0,0,0|1,0,0]=2 263 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [1,0,0,0,0,0|1,0,0]=2 264 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [1,0,0,0,0,0|1,0,0]=2 265 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [1,0,0,0,0,0|2,0,0]=3 266 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [1,0,0,0,0,0|2,0,1]=4 267 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [1,0,0,0,0,0|1,0,2]=4 268 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [1,0,0,0,0,0|1,0,2]=4 269 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [1,0,0,0,0,0|2,0,1]=4 270 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [1,0,0,0,0,0|2,0,1]=4 271 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [1,0,0,0,0,0|2,0,1]=4 272 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [1,0,0,0,0,0|0,0,2]=3 273 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [1,0,0,0,0,0|0,0,2]=3 274 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [1,0,0,0,0,0|1,0,2]=4 275 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [1,0,0,0,0,0|1,0,2]=4 276 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [1,0,0,0,0,0|2,0,1]=4 277 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [1,0,0,0,0,0|2,0,1]=4 278 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [1,0,0,0,0,0|1,0,1]=3 279 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [1,0,0,0,0,0|2,0,1]=4 280 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [1,0,0,0,0,0|1,0,1]=3 281 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [1,0,0,0,0,0|2,0,1]=4 282 B8R1.2 OCC1CCCNC1 MCULE-1126180349 [1,0,0,0,0,0|0,0,3]=4 283 B8R1.2 OCC1CCCNC1 MCULE-1796388857 [1,0,0,0,0,0|0,0,3]=4 284 B8R1.2 OCC1CCCNC1 MCULE-3885962581 [1,0,0,0,0,0|0,0,3]=4 285 B8R1.2 OCC1CCCNC1 MCULE-9246039906 [1,0,0,0,0,0|0,0,3]=4 286 B8R1.2 OCC1CNCCN1 MCULE-1401587868 [1,0,0,0,0,0|1,0,2]=4 287 B8R1.2 OCC1CNCCN1 MCULE-7423856879 [1,0,0,0,0,0|1,0,2]=4 288 B8R1.2 OCC1CNCCN1 MCULE-8309538868 [1,0,0,0,0,0|1,0,2]=4 289 B8R1.2 OCC1CNCCN1 MCULE-9359285661 [1,0,0,0,0,0|1,0,2]=4 290 B8R1.2 OCC1CNCCO1 MCULE-1938288280 [1,0,0,0,0,0|1,0,2]=4 291 B8R1.2 OCC1CNCCO1 MCULE-7041892647 [1,0,0,0,0,0|1,0,2]=4 292 B8R1.2 OCC1CNCCO1 MCULE-8873542150 [1,0,0,0,0,0|1,0,2]=4 293 B8R1.2 OCC1CNCCO1 MCULE-9279337391 [1,0,0,0,0,0|1,0,2]=4 294 B8R1.2 OC[C@@H]1CCCNC1 MCULE-1362591489 [1,0,0,0,0,0|0,0,3]=4 295 B8R1.2 OC[C@@H]1CCCNC1 MCULE-2943211570 [1,0,0,0,0,0|0,0,3]=4 296 B8R1.2 OC[C@@H]1CCCNC1 MCULE-8452110091 [1,0,0,0,0,0|0,0,3]=4 297 B8R1.2 OC[C@@H]1CCCNC1 MCULE-9511978382 [1,0,0,0,0,0|0,0,3]=4 298 B8R1.2 OC[C@@H]1CNCCN1 MCULE-3656110325 [1,0,0,0,0,0|1,0,2]=4 299 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7030471384 [1,0,0,0,0,0|1,0,2]=4 300 B8R1.2 OC[C@@H]1CNCCN1 MCULE-7465480170 [1,0,0,0,0,0|1,0,2]=4 301 B8R1.2 OC[C@@H]1CNCCN1 MCULE-9542102138 [1,0,0,0,0,0|1,0,2]=4 302 B8R1.2 OC[C@@H]1CNCCO1 MCULE-5428209505 [1,0,0,0,0,0|1,0,2]=4 303 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6006812099 [1,0,0,0,0,0|1,0,2]=4 304 B8R1.2 OC[C@@H]1CNCCO1 MCULE-6118730357 [1,0,0,0,0,0|1,0,2]=4 305 B8R1.2 OC[C@@H]1CNCCO1 MCULE-9753568594 [1,0,0,0,0,0|1,0,2]=4 306 B8R1.2 OC[C@H]1CCCNC1 MCULE-3504380705 [1,0,0,0,0,0|0,0,3]=4 307 B8R1.2 OC[C@H]1CCCNC1 MCULE-6518143765 [1,0,0,0,0,0|0,0,3]=4 308 B8R1.2 OC[C@H]1CCCNC1 MCULE-6752674060 [1,0,0,0,0,0|0,0,3]=4 309 B8R1.2 OC[C@H]1CCCNC1 MCULE-9392193352 [1,0,0,0,0,0|0,0,3]=4 310 B8R1.2 OC[C@H]1CNCCN1 MCULE-2062612556 [1,0,0,0,0,0|1,0,2]=4 311 B8R1.2 OC[C@H]1CNCCN1 MCULE-3003505442 [1,0,0,0,0,0|1,0,2]=4 312 B8R1.2 OC[C@H]1CNCCN1 MCULE-3400481255 [1,0,0,0,0,0|1,0,2]=4 313 B8R1.2 OC[C@H]1CNCCN1 MCULE-5683382374 [1,0,0,0,0,0|1,0,2]=4 314 B8R1.2 OC[C@H]1CNCCN1 MCULE-8795905011 [1,0,0,0,0,0|1,0,2]=4 315 B8R1.2 OC[C@H]1CNCCO1 MCULE-2083087681 [1,0,0,0,0,0|1,0,2]=4 316 B8R1.2 OC[C@H]1CNCCO1 MCULE-2399844881 [1,0,0,0,0,0|1,0,2]=4 317 B8R1.2 OC[C@H]1CNCCO1 MCULE-5372536833 [1,0,0,0,0,0|1,0,2]=4 318 B8R1.2 OC[C@H]1CNCCO1 MCULE-9994722027 [1,0,0,0,0,0|1,0,2]=4 319 B8R1.2 ON=C1CCCCC1 MCULE-4628080057 [1,0,0,0,0,0|2,0,1]=4 320 B10R1.13 CC(=O)C1=CCN(CC1)C MCULE-2033609377 [0,1,0,0,0,0|3,0,0]=4 321 B10R1.13 CC1=CCC(=CC1)C(=O)O MCULE-6201411165 [0,1,0,0,0,0|1,0,1]=3 322 B10R1.13 CC1CC=C(CC1)B(O)O MCULE-5217083453 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.13 CC1CC=C(CC1)C(=O)O MCULE-7341526311 [0,1,0,0,0,0|1,0,0]=2 324 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,1,0,0,0,0|1,0,2]=4 325 B10R1.13 CC1CCC(CN1)C(=O)N MCULE-7780455991 [0,1,0,0,0,0|1,0,2]=4 326 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-3840727873 [0,1,0,0,0,0|0,0,2]=3 327 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-5946890830 [0,1,0,0,0,0|0,0,2]=3 328 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,1,0,0,0,0|1,0,2]=4 329 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.13 CC1COC(CN1)C(=O)O MCULE-7809709557 [0,1,0,0,0,0|1,0,1]=3 332 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O MCULE-8843664488 [0,1,0,0,0,0|0,0,2]=3 333 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2204464981 [0,1,0,0,0,0|0,0,2]=3 334 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2225073323 [0,1,0,0,0,0|0,0,2]=3 335 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-3036379148 [0,1,0,0,0,0|0,0,2]=3 336 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-9649426657 [0,1,0,0,0,0|0,0,2]=3 337 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,1,0,0,0,0|1,0,2]=4 340 B10R1.13 C[C@H]1CC[C@@H](CN1)C(=O)O MCULE-6340569413 [0,1,0,0,0,0|0,0,2]=3 341 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,1,0,0,0,0|1,0,2]=4 342 B10R1.13 C[C@H]1CC[C@H](CN1)C(=O)O MCULE-3955685184 [0,1,0,0,0,0|0,0,2]=3 343 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,1,0,0,0,0|2,0,1]=4 344 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,1,0,0,0,0|2,0,1]=4 345 B10R1.13 NC1CC=C(CC1)C(=O)O MCULE-8027933659 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,1,0,0,0,0|1,0,2]=4 347 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,1,0,0,0,0|1,0,2]=4 348 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,1,0,0,0,0|1,0,2]=4 349 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,1,0,0,0,0|1,0,2]=4 350 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,1,0,0,0,0|1,0,2]=4 351 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,1,0,0,0,0|1,0,2]=4 352 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,1,0,0,0,0|1,0,2]=4 353 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,1,0,0,0,0|1,0,2]=4 354 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,1,0,0,0,0|1,0,2]=4 355 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,1,0,0,0,0|1,0,2]=4 356 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-3204705068 [0,1,0,0,0,0|2,0,1]=4 357 B10R1.13 O=C(O)C1CCC(CN1)O MCULE-7178398033 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1384355113 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-1678351091 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-5287470680 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.13 O=C(O)[C@@H]1CC[C@@H](CN1)O MCULE-7907264464 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-2425882122 [0,1,0,0,0,0|2,0,1]=4 363 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3071319870 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-3130571634 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-4156067811 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-6185299507 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)O MCULE-8875046289 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,1,0,0,0,0|1,0,2]=4 369 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,1,0,0,0,0|1,0,2]=4 370 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-2267551829 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7339394632 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-7777420620 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.13 O=C(O)[C@H]1CC[C@@H](CN1)O MCULE-9629486094 [0,1,0,0,0,0|2,0,1]=4 374 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,1,0,0,0,0|1,0,2]=4 375 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,1,0,0,0,0|1,0,2]=4 376 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-3991583469 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8329848691 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.13 O=C(O)[C@H]1CC[C@H](CN1)O MCULE-8730600296 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.13 O=C1C=CC(=NN1)C(=O)O MCULE-4975386160 [0,1,0,0,0,0|1,0,2]=4 380 B10R1.13 O=C1CC=C(N=N1)C(=O)O MCULE-8930674606 [0,1,0,0,0,0|1,0,2]=4 381 B10R1.13 O=C1CCC(=NN1)C(=O)O MCULE-1818973372 [0,1,0,0,0,0|1,0,2]=4 382 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,1,0,0,0,0|0,0,3]=4 383 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,1,0,0,0,0|0,0,3]=4 384 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,1,0,0,0,0|0,0,3]=4 385 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,1,0,0,0,0|0,0,3]=4 386 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,1,0,0,0,0|1,0,2]=4 387 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,1,0,0,0,0|1,0,2]=4 388 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,1,0,0,0,0|1,0,2]=4 389 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,1,0,0,0,0|1,0,2]=4 390 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,1,0,0,0,0|1,0,2]=4 391 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,1,0,0,0,0|1,0,2]=4 392 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,1,0,0,0,0|1,0,2]=4 393 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1423621462 [0,1,0,0,0,0|2,0,1]=4 394 B10R1.13 [C@@H]1(CC[C@H](NC1)C(=O)O)O MCULE-1814136074 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-3306037072 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.15 C1(CCCCN1)C(=O)OC MCULE-9288344897 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-4117287216 [0,1,0,0,0,0|0,0,2]=3 398 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-8091301795 [0,1,0,0,0,0|0,0,2]=3 399 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-2958013355 [0,1,0,0,0,0|1,0,1]=3 400 B10R1.15 C1(CNCCN1)C(=O)OC MCULE-6072954554 [0,1,0,0,0,0|1,0,1]=3 401 B10R1.15 C1(COCCN1)C(=O)OC MCULE-1359060783 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.15 C1(COCCN1)C(=O)OC MCULE-5136187934 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.15 CCC(=O)C1CCCNC1 MCULE-3629175971 [0,1,0,0,0,0|1,0,2]=4 404 B10R1.15 CCC(=O)N1CCCNC1 MCULE-4333354297 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.15 CNC(=O)C1CCCNC1 MCULE-2978981353 [0,1,0,0,0,0|1,0,2]=4 406 B10R1.15 CNC(=O)C1CCCNC1 MCULE-6838149669 [0,1,0,0,0,0|1,0,2]=4 407 B10R1.15 CNC(=O)C1CCCNC1 MCULE-7320118999 [0,1,0,0,0,0|1,0,2]=4 408 B10R1.15 CNC(=O)C1CNCCO1 MCULE-3207028564 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.15 CNC(=O)C1CNCCO1 MCULE-6268130075 [0,1,0,0,0,0|2,0,1]=4 410 B10R1.15 CNC(=O)[C@@H]1CCCNC1 MCULE-4458584627 [0,1,0,0,0,0|1,0,2]=4 411 B10R1.15 CNC(=O)[C@@H]1CCCNC1 MCULE-7833506495 [0,1,0,0,0,0|1,0,2]=4 412 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-4306456945 [0,1,0,0,0,0|1,0,2]=4 413 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-6354630655 [0,1,0,0,0,0|1,0,2]=4 414 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-9283058450 [0,1,0,0,0,0|1,0,2]=4 415 B10R1.15 COC(=O)C1=CCCCC1 MCULE-3153400458 [0,1,0,0,0,0|1,0,0]=2 416 B10R1.15 COC(=O)C1=CCCCO1 MCULE-3379510205 [0,1,0,0,0,0|2,0,0]=3 417 B10R1.15 COC(=O)C1=CCCNC1 MCULE-4220762988 [0,1,0,0,0,0|0,0,0]=1 418 B10R1.15 COC(=O)C1=CCCNC1 MCULE-8178236584 [0,1,0,0,0,0|0,0,0]=1 419 B10R1.15 COC(=O)C1=CCCNC1 MCULE-9139351406 [0,1,0,0,0,0|0,0,0]=1 420 B10R1.15 COC(=O)C1=CCNCC1 MCULE-3308640134 [0,1,0,0,0,0|2,0,0]=3 421 B10R1.15 COC(=O)C1=CCNCC1 MCULE-5623631465 [0,1,0,0,0,0|2,0,0]=3 422 B10R1.15 COC(=O)C1=CCOCC1 MCULE-5794532366 [0,1,0,0,0,0|2,0,0]=3 423 B10R1.15 COC(=O)C1=CNCCC1 MCULE-5565494663 [0,1,0,0,0,0|0,0,2]=3 424 B10R1.15 COC(=O)C1=COCCC1 MCULE-2654885308 [0,1,0,0,0,0|2,0,0]=3 425 B10R1.15 COC(=O)C1CCCCC1 MCULE-6850082589 [0,1,0,0,0,0|1,0,2]=4 426 B10R1.15 COC(=O)C1CCCCN1 MCULE-1345527122 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.15 COC(=O)C1CCCCN1 MCULE-3343413800 [0,1,0,0,0,0|2,0,1]=4 428 B10R1.15 COC(=O)C1CCCCO1 MCULE-4699637806 [0,1,0,0,0,0|2,0,1]=4 429 B10R1.15 COC(=O)C1CCCCS1 MCULE-5621167539 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.15 COC(=O)C1CCCNC1 MCULE-5215588899 [0,1,0,0,0,0|0,0,2]=3 431 B10R1.15 COC(=O)C1CCCNC1 MCULE-8977979820 [0,1,0,0,0,0|0,0,2]=3 432 B10R1.15 COC(=O)C1CCCNN1 MCULE-3033001919 [0,1,0,0,0,0|1,0,2]=4 433 B10R1.15 COC(=O)C1CCCNN1 MCULE-3440886963 [0,1,0,0,0,0|1,0,2]=4 434 B10R1.15 COC(=O)C1CCCOC1 MCULE-8852064521 [0,1,0,0,0,0|1,0,2]=4 435 B10R1.15 COC(=O)C1CNCCN1 MCULE-5461430924 [0,1,0,0,0,0|1,0,1]=3 436 B10R1.15 COC(=O)C1CNCCN1 MCULE-5985522017 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.15 COC(=O)C1CNCCO1 MCULE-2698329193 [0,1,0,0,0,0|1,0,1]=3 438 B10R1.15 COC(=O)C1CNCCO1 MCULE-4908930366 [0,1,0,0,0,0|1,0,1]=3 439 B10R1.15 COC(=O)C1CNCCO1 MCULE-5645711588 [0,1,0,0,0,0|1,0,1]=3 440 B10R1.15 COC(=O)C1CNCCO1 MCULE-6370167621 [0,1,0,0,0,0|1,0,1]=3 441 B10R1.15 COC(=O)C1CNCCO1 MCULE-8941359764 [0,1,0,0,0,0|1,0,1]=3 442 B10R1.15 COC(=O)C1COCCN1 MCULE-3550093500 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.15 COC(=O)C1COCCN1 MCULE-6551273056 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.15 COC(=O)C1COCCN1 MCULE-6840431140 [0,1,0,0,0,0|2,0,1]=4 445 B10R1.15 COC(=O)C1CSCCN1 MCULE-3631055578 [0,1,0,0,0,0|2,0,1]=4 446 B10R1.15 COC(=O)C1CSCCN1 MCULE-7757706847 [0,1,0,0,0,0|2,0,1]=4 447 B10R1.15 COC(=O)N1CCCCC1 MCULE-4843476028 [0,1,0,0,0,0|2,0,1]=4 448 B10R1.15 COC(=O)N1CCCCC1 MCULE-8096578349 [0,1,0,0,0,0|2,0,1]=4 449 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-4659733955 [0,1,0,0,0,0|2,0,1]=4 450 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-6675153946 [0,1,0,0,0,0|2,0,1]=4 451 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-7164905117 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.15 COC(=O)[C@@H]1CCCCN1 MCULE-8391987811 [0,1,0,0,0,0|2,0,1]=4 453 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-1357072117 [0,1,0,0,0,0|0,0,2]=3 454 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-6685948915 [0,1,0,0,0,0|0,0,2]=3 455 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-7943195603 [0,1,0,0,0,0|0,0,2]=3 456 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-8245028670 [0,1,0,0,0,0|0,0,2]=3 457 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-4492703729 [0,1,0,0,0,0|1,0,2]=4 458 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-4789174904 [0,1,0,0,0,0|1,0,2]=4 459 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-6004868841 [0,1,0,0,0,0|1,0,2]=4 460 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-8447894362 [0,1,0,0,0,0|1,0,2]=4 461 B10R1.15 COC(=O)[C@@H]1CCCNN1 MCULE-8973989363 [0,1,0,0,0,0|1,0,2]=4 462 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5551273180 [0,1,0,0,0,0|1,0,1]=3 463 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-5976690411 [0,1,0,0,0,0|1,0,1]=3 464 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-7451026930 [0,1,0,0,0,0|1,0,1]=3 465 B10R1.15 COC(=O)[C@@H]1CNCCN1 MCULE-8752855910 [0,1,0,0,0,0|1,0,1]=3 466 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-1095109510 [0,1,0,0,0,0|1,0,1]=3 467 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-4732803083 [0,1,0,0,0,0|1,0,1]=3 468 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5642785598 [0,1,0,0,0,0|1,0,1]=3 469 B10R1.15 COC(=O)[C@@H]1CNCCO1 MCULE-5749221307 [0,1,0,0,0,0|1,0,1]=3 470 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-5162429786 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7239532241 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-7684323850 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8072335300 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-8375175370 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.15 COC(=O)[C@@H]1COCCN1 MCULE-9876388752 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-2644672819 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.15 COC(=O)[C@@H]1CSCCN1 MCULE-8721567121 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5042289968 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-5552610931 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6096933206 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.15 COC(=O)[C@H]1CCCCN1 MCULE-6748268572 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-1258591863 [0,1,0,0,0,0|0,0,2]=3 483 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-2913297882 [0,1,0,0,0,0|0,0,2]=3 484 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-7994934831 [0,1,0,0,0,0|0,0,2]=3 485 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-9664872744 [0,1,0,0,0,0|0,0,2]=3 486 B10R1.15 COC(=O)[C@H]1CCCOC1 MCULE-3895837022 [0,1,0,0,0,0|1,0,2]=4 487 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-1502399125 [0,1,0,0,0,0|1,0,1]=3 488 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4305901126 [0,1,0,0,0,0|1,0,1]=3 489 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-4581702554 [0,1,0,0,0,0|1,0,1]=3 490 B10R1.15 COC(=O)[C@H]1CNCCN1 MCULE-5249386287 [0,1,0,0,0,0|1,0,1]=3 491 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-1713285364 [0,1,0,0,0,0|1,0,1]=3 492 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-2717742188 [0,1,0,0,0,0|1,0,1]=3 493 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-3191998281 [0,1,0,0,0,0|1,0,1]=3 494 B10R1.15 COC(=O)[C@H]1CNCCO1 MCULE-4522663718 [0,1,0,0,0,0|1,0,1]=3 495 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-2095296947 [0,1,0,0,0,0|2,0,1]=4 496 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-4051082225 [0,1,0,0,0,0|2,0,1]=4 497 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-5485853687 [0,1,0,0,0,0|2,0,1]=4 498 B10R1.15 COC(=O)[C@H]1COCCN1 MCULE-8734141342 [0,1,0,0,0,0|2,0,1]=4 499 B10R1.15 COC(=O)[C@H]1CSCCN1 MCULE-6859763829 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.15 N/C(=N\O)/C1CCCNC1 MCULE-7748729178 [0,1,0,0,0,0|1,0,2]=4 501 B10R1.15 N/C(=N\O)/C1CCCNC1 MCULE-9028349942 [0,1,0,0,0,0|1,0,2]=4 502 B10R1.15 NNC(=O)C1CCCNC1 MCULE-6747055430 [0,1,0,0,0,0|1,0,2]=4 503 B10R1.15 O=C(CO)C1CCCCC1 MCULE-7711081081 [0,1,0,0,0,0|1,0,2]=4 504 B10R1.15 O=C(CO)N1CCCCC1 MCULE-2972774035 [0,1,0,0,0,0|2,0,1]=4 505 B10R1.15 O=C(NO)C1CCCCC1 MCULE-4311817351 [0,1,0,0,0,0|1,0,2]=4 506 B10R1.28 CP(=O)(O)C1=CCNCC1 MCULE-4086960639 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.28 O=S(=O)(Cl)C1=CCCCC1 MCULE-5028283962 [0,1,0,0,0,0|2,0,1]=4 508 B10R1.28 O=S(=O)(O)C1CCCNC1 MCULE-3529161221 [0,1,0,0,0,0|1,0,2]=4 509 B10R1.61 CC(=O)C1=C(CCCC1)Br MCULE-1190071084 [0,1,0,0,0,0|2,0,0]=3 510 B10R1.61 CC(=O)C1=C(CCCC1)N MCULE-6911820459 [0,1,0,0,0,0|2,0,0]=3 511 B10R1.61 CC(=O)C1CCCCC1=O MCULE-4487262627 [0,1,0,0,0,0|2,0,1]=4 512 B10R1.61 CC(=O)N1CCCCC1=O MCULE-2016057739 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.61 CC(O)C1=C(CCCC1)Br MCULE-8379126936 [0,1,0,0,0,0|2,0,1]=4 514 B10R1.61 CC1=C(CCCC1)B(O)O MCULE-4852870254 [0,1,0,0,0,0|2,0,1]=4 515 B10R1.61 CC1=C(CCCC1)C(=O)O MCULE-2899177590 [0,1,0,0,0,0|1,0,0]=2 516 B10R1.61 CC1=C(CCCO1)C(=O)O MCULE-1778977864 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.61 CC1=C(OCCO1)C(=O)O MCULE-1214060885 [0,1,0,0,0,0|2,0,1]=4 518 B10R1.61 CC1=C(SCCO1)C(=O)O MCULE-2576357484 [0,1,0,0,0,0|2,0,1]=4 519 B10R1.61 CC1CCCC=C1C(=O)O MCULE-2002913109 [0,1,0,0,0,0|1,0,0]=2 520 B10R1.61 CC1CCCCC1C(=O)O MCULE-3305682191 [0,1,0,0,0,0|1,0,2]=4 521 B10R1.61 CC1CCNCC1C(=O)O MCULE-8748624987 [0,1,0,0,0,0|0,0,2]=3 522 B10R1.61 CC1CCNCC1C(=O)O MCULE-9934986088 [0,1,0,0,0,0|0,0,2]=3 523 B10R1.61 CC1NCCCC1C(=O)O MCULE-1657397096 [0,1,0,0,0,0|0,0,2]=3 524 B10R1.61 CC1NCCCC1C(=O)O MCULE-3297923255 [0,1,0,0,0,0|0,0,2]=3 525 B10R1.61 CC1OCCCC1C(=O)O MCULE-1412449239 [0,1,0,0,0,0|1,0,2]=4 526 B10R1.61 CC1OCCNC1C(=O)O MCULE-7650728786 [0,1,0,0,0,0|2,0,1]=4 527 B10R1.61 CC1OCCNC1C(=O)O MCULE-7980002158 [0,1,0,0,0,0|2,0,1]=4 528 B10R1.61 CN1CCCCC1C(=O)O MCULE-3456275150 [0,1,0,0,0,0|2,0,1]=4 529 B10R1.61 CN1CCCCC1C(=O)O MCULE-6372652181 [0,1,0,0,0,0|2,0,1]=4 530 B10R1.61 CN1CCCCC1C(=O)O MCULE-7834522939 [0,1,0,0,0,0|2,0,1]=4 531 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2245294368 [0,1,0,0,0,0|2,0,1]=4 532 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-2258119449 [0,1,0,0,0,0|2,0,1]=4 533 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-4757725445 [0,1,0,0,0,0|2,0,1]=4 534 B10R1.61 CN1CCCC[C@@H]1C(=O)O MCULE-9648696079 [0,1,0,0,0,0|2,0,1]=4 535 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5396822712 [0,1,0,0,0,0|2,0,1]=4 536 B10R1.61 CN1CCCC[C@H]1C(=O)O MCULE-5529863786 [0,1,0,0,0,0|2,0,1]=4 537 B10R1.61 CN1CCNCC1C(=O)N MCULE-5869045526 [0,1,0,0,0,0|2,0,1]=4 538 B10R1.61 CN1CCNCC1C(=O)N MCULE-6913155408 [0,1,0,0,0,0|2,0,1]=4 539 B10R1.61 CN1CCNCC1C(=O)O MCULE-1461373192 [0,1,0,0,0,0|1,0,1]=3 540 B10R1.61 CN1CCNCC1C(=O)O MCULE-2314108697 [0,1,0,0,0,0|1,0,1]=3 541 B10R1.61 CN1CCNCC1C(=O)O MCULE-6876364616 [0,1,0,0,0,0|1,0,1]=3 542 B10R1.61 CN1CCNC[C@@H]1C(=O)O MCULE-6844980804 [0,1,0,0,0,0|1,0,1]=3 543 B10R1.61 CN1CCNC[C@@H]1C(=O)O MCULE-9108769184 [0,1,0,0,0,0|1,0,1]=3 544 B10R1.61 CN1CCNC[C@H]1C(=O)O MCULE-5706230528 [0,1,0,0,0,0|1,0,1]=3 545 B10R1.61 CN1CCNC[C@H]1C(=O)O MCULE-6493932779 [0,1,0,0,0,0|1,0,1]=3 546 B10R1.61 CN1CCOCC1C(=O)O MCULE-3133710690 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.61 CN1CCOCC1C(=O)O MCULE-3290676693 [0,1,0,0,0,0|2,0,1]=4 548 B10R1.61 CN1CCOC[C@@H]1C(=O)O MCULE-1062473078 [0,1,0,0,0,0|2,0,1]=4 549 B10R1.61 CN1CCOC[C@@H]1C(=O)O MCULE-1353468073 [0,1,0,0,0,0|2,0,1]=4 550 B10R1.61 CN1CCOC[C@@H]1C(=O)O MCULE-2754171059 [0,1,0,0,0,0|2,0,1]=4 551 B10R1.61 CN1CCOC[C@@H]1C(=O)O MCULE-8165717473 [0,1,0,0,0,0|2,0,1]=4 552 B10R1.61 CN1CCOC[C@H]1C(=O)O MCULE-4042448961 [0,1,0,0,0,0|2,0,1]=4 553 B10R1.61 CN1CCOC[C@H]1C(=O)O MCULE-4563667791 [0,1,0,0,0,0|2,0,1]=4 554 B10R1.61 CN1CCOC[C@H]1C(=O)O MCULE-6824999437 [0,1,0,0,0,0|2,0,1]=4 555 B10R1.61 CN1CCOC[C@H]1C(=O)O MCULE-9114074540 [0,1,0,0,0,0|2,0,1]=4 556 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-5453839569 [0,1,0,0,0,0|0,0,2]=3 557 B10R1.61 C[C@@H]1NCCC[C@@H]1C(=O)O MCULE-8712948607 [0,1,0,0,0,0|0,0,2]=3 558 B10R1.61 C[C@@H]1NCCC[C@H]1C(=O)O MCULE-4097586923 [0,1,0,0,0,0|0,0,2]=3 559 B10R1.61 C[C@@H]1OCCN[C@@H]1C(=O)O MCULE-5754974970 [0,1,0,0,0,0|2,0,1]=4 560 B10R1.61 C[C@@H]1OCCN[C@@H]1C(=O)O MCULE-9389286375 [0,1,0,0,0,0|2,0,1]=4 561 B10R1.61 C[C@H]1NCCC[C@@H]1C(=O)O MCULE-1705027594 [0,1,0,0,0,0|0,0,2]=3 562 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8221283836 [0,1,0,0,0,0|0,0,2]=3 563 B10R1.61 C[C@H]1NCCC[C@H]1C(=O)O MCULE-8542699735 [0,1,0,0,0,0|0,0,2]=3 564 B10R1.61 C[C@H]1OCCC[C@H]1C(=O)O MCULE-9860065784 [0,1,0,0,0,0|1,0,2]=4 565 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-1879170734 [0,1,0,0,0,0|2,0,1]=4 566 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-4061314927 [0,1,0,0,0,0|2,0,1]=4 567 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-4489336660 [0,1,0,0,0,0|2,0,1]=4 568 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-4667134552 [0,1,0,0,0,0|2,0,1]=4 569 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-5449945964 [0,1,0,0,0,0|2,0,1]=4 570 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O MCULE-7387257453 [0,1,0,0,0,0|2,0,1]=4 571 B10R1.61 NC(=O)C1CCCCC1=O MCULE-4980594289 [0,1,0,0,0,0|2,0,1]=4 572 B10R1.61 NC(=O)C1CNCCC1=O MCULE-5445807694 [0,1,0,0,0,0|1,0,1]=3 573 B10R1.61 NC1=C(CCCC1)C(=O)O MCULE-4360190675 [0,1,0,0,0,0|1,0,0]=2 574 B10R1.61 NC1CCCCC1C(=O)O MCULE-4736252154 [0,1,0,0,0,0|1,0,2]=4 575 B10R1.61 NC1CCCCC1C(=O)O MCULE-6203238767 [0,1,0,0,0,0|1,0,2]=4 576 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-1790728170 [0,1,0,0,0,0|1,0,2]=4 577 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-3150171920 [0,1,0,0,0,0|1,0,2]=4 578 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-4600025587 [0,1,0,0,0,0|1,0,2]=4 579 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O MCULE-9708582870 [0,1,0,0,0,0|1,0,2]=4 580 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-3088249896 [0,1,0,0,0,0|1,0,2]=4 581 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-4663931442 [0,1,0,0,0,0|1,0,2]=4 582 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-6017464144 [0,1,0,0,0,0|1,0,2]=4 583 B10R1.61 N[C@@H]1CCCC[C@H]1C(=O)O MCULE-9507759371 [0,1,0,0,0,0|1,0,2]=4 584 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-2040720562 [0,1,0,0,0,0|1,0,2]=4 585 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-5411687824 [0,1,0,0,0,0|1,0,2]=4 586 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-6353451287 [0,1,0,0,0,0|1,0,2]=4 587 B10R1.61 N[C@H]1CCCC[C@@H]1C(=O)O MCULE-9744443114 [0,1,0,0,0,0|1,0,2]=4 588 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-1070315128 [0,1,0,0,0,0|1,0,2]=4 589 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-2665445473 [0,1,0,0,0,0|1,0,2]=4 590 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-5776301031 [0,1,0,0,0,0|1,0,2]=4 591 B10R1.61 N[C@H]1CCCC[C@H]1C(=O)O MCULE-7183400727 [0,1,0,0,0,0|1,0,2]=4 592 B10R1.61 O=C(O)C1=C(CCCC1)Br MCULE-4432967237 [0,1,0,0,0,0|1,0,0]=2 593 B10R1.61 O=C(O)C1=C(CCCC1)Cl MCULE-4191246644 [0,1,0,0,0,0|1,0,0]=2 594 B10R1.61 O=C(O)C1=C(CCNC1)F MCULE-5950030289 [0,1,0,0,0,0|0,0,0]=1 595 B10R1.61 O=C(O)C1=C(CCNC1)F MCULE-7466992226 [0,1,0,0,0,0|0,0,0]=1 596 B10R1.61 O=C(O)C1=C(CCOC1)Cl MCULE-8616332165 [0,1,0,0,0,0|1,0,0]=2 597 B10R1.61 O=C(O)C1=CC=NNC1=O MCULE-5812037295 [0,1,0,0,0,0|1,0,2]=4 598 B10R1.61 O=C(O)C1=CNC=NC1=O MCULE-7526187020 [0,1,0,0,0,0|1,0,2]=4 599 B10R1.61 O=C(O)C1=CNN=CC1=O MCULE-3661596942 [0,1,0,0,0,0|1,0,2]=4 600 B10R1.61 O=C(O)C1CCCCC1=O MCULE-1684765148 [0,1,0,0,0,0|1,0,1]=3 601 B10R1.61 O=C(O)C1CCCCC1F MCULE-9495362772 [0,1,0,0,0,0|1,0,2]=4 602 B10R1.61 O=C(O)C1CCCCC1O MCULE-4502285714 [0,1,0,0,0,0|1,0,2]=4 603 B10R1.61 O=C(O)C1CCCCN1O MCULE-1338694603 [0,1,0,0,0,0|2,0,1]=4 604 B10R1.61 O=C(O)C1CCCNC1=O MCULE-5733950200 [0,1,0,0,0,0|0,0,3]=4 605 B10R1.61 O=C(O)C1CNCCC1=O MCULE-3624462455 [0,1,0,0,0,0|0,0,1]=2 606 B10R1.61 O=C(O)C1NCCCC1O MCULE-2981139992 [0,1,0,0,0,0|2,0,1]=4 607 B10R1.61 O=C(O)C1NCCNC1=O MCULE-5861499693 [0,1,0,0,0,0|1,0,2]=4 608 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-2224593354 [0,1,0,0,0,0|2,0,1]=4 609 B10R1.61 O=C(O)[C@@H]1NCCC[C@H]1O MCULE-3743184576 [0,1,0,0,0,0|2,0,1]=4 610 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-2137327596 [0,1,0,0,0,0|2,0,1]=4 611 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3028221093 [0,1,0,0,0,0|2,0,1]=4 612 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-3468221525 [0,1,0,0,0,0|2,0,1]=4 613 B10R1.61 O=C(O)[C@H]1NCCC[C@@H]1O MCULE-5449397815 [0,1,0,0,0,0|2,0,1]=4 614 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-2786788134 [0,1,0,0,0,0|2,0,1]=4 615 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-3262303247 [0,1,0,0,0,0|2,0,1]=4 616 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4026886814 [0,1,0,0,0,0|2,0,1]=4 617 B10R1.61 O=C(O)[C@H]1NCCC[C@H]1O MCULE-4165843552 [0,1,0,0,0,0|2,0,1]=4 618 B10R1.61 O=C([O-])C1CCCCC1=O MCULE-2483955816 [0,1,0,0,0,0|1,0,2]=4 619 B10R1.61 O=C1CCCCC1=C(Cl)Cl MCULE-9057026374 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [0,1,0,0,0,0|1,0,2]=4 621 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [0,1,0,0,0,0|1,0,2]=4 622 B10R1.113 CC1CCCC(C1)C(=O)O MCULE-1709216331 [0,1,0,0,0,0|1,0,2]=4 623 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-2752928027 [0,1,0,0,0,0|2,0,1]=4 624 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7361502591 [0,1,0,0,0,0|2,0,1]=4 625 B10R1.113 CC1CCCC(N1)C(=O)O MCULE-7906995060 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.113 CC1CCCC(O1)C(=O)O MCULE-2545962496 [0,1,0,0,0,0|2,0,1]=4 627 B10R1.113 CC1CCNC(C1)C(=O)O MCULE-7170086856 [0,1,0,0,0,0|2,0,1]=4 628 B10R1.113 CC1CNCC(C1)C(=O)O MCULE-6208683659 [0,1,0,0,0,0|0,0,2]=3 629 B10R1.113 CC1CNCC(O1)C(=O)N MCULE-4373996098 [0,1,0,0,0,0|2,0,1]=4 630 B10R1.113 CC1CNCC(O1)C(=O)O MCULE-4851002529 [0,1,0,0,0,0|1,0,1]=3 631 B10R1.113 CC1COCC(N1)C(=O)O MCULE-6739051094 [0,1,0,0,0,0|2,0,1]=4 632 B10R1.113 CN1CCC=C(C1)B(O)O MCULE-7052160780 [0,1,0,0,0,0|1,0,1]=3 633 B10R1.113 CN1CCC=C(C1)B(O)O MCULE-8837340580 [0,1,0,0,0,0|1,0,1]=3 634 B10R1.113 CN1CCC=C(C1)C(=O)O MCULE-5778457701 [0,1,0,0,0,0|0,0,0]=1 635 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-2256974113 [0,1,0,0,0,0|1,0,2]=4 636 B10R1.113 CN1CCCC(C1)C(=O)Cl MCULE-6072454792 [0,1,0,0,0,0|1,0,2]=4 637 B10R1.113 CN1CCCC(C1)C(=O)N MCULE-2482020070 [0,1,0,0,0,0|1,0,2]=4 638 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-2577677138 [0,1,0,0,0,0|0,0,2]=3 639 B10R1.113 CN1CCCC(C1)C(=O)O MCULE-9093982856 [0,1,0,0,0,0|0,0,2]=3 640 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3472059995 [0,1,0,0,0,0|0,0,2]=3 641 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-3661518240 [0,1,0,0,0,0|0,0,2]=3 642 B10R1.113 CN1CCC[C@@H](C1)C(=O)O MCULE-4244061094 [0,1,0,0,0,0|0,0,2]=3 643 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-1368409828 [0,1,0,0,0,0|0,0,2]=3 644 B10R1.113 CN1CCC[C@H](C1)C(=O)O MCULE-2079226353 [0,1,0,0,0,0|0,0,2]=3 645 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-3257789162 [0,1,0,0,0,0|2,0,1]=4 646 B10R1.113 CN1CCNC(C1)C(=O)N MCULE-6597619500 [0,1,0,0,0,0|2,0,1]=4 647 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-2247528725 [0,1,0,0,0,0|1,0,1]=3 648 B10R1.113 CN1CCNC(C1)C(=O)O MCULE-9094338983 [0,1,0,0,0,0|1,0,1]=3 649 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-5238925665 [0,1,0,0,0,0|1,0,1]=3 650 B10R1.113 CN1CCN[C@@H](C1)C(=O)O MCULE-6341643779 [0,1,0,0,0,0|1,0,1]=3 651 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-1518073789 [0,1,0,0,0,0|1,0,1]=3 652 B10R1.113 CN1CCN[C@H](C1)C(=O)O MCULE-8312508233 [0,1,0,0,0,0|1,0,1]=3 653 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-5046751827 [0,1,0,0,0,0|1,0,1]=3 654 B10R1.113 CN1CCOC(C1)C(=O)O MCULE-8819512874 [0,1,0,0,0,0|1,0,1]=3 655 B10R1.113 C[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-4534640450 [0,1,0,0,0,0|1,0,2]=4 656 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6827473516 [0,1,0,0,0,0|2,0,1]=4 657 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O MCULE-6916060172 [0,1,0,0,0,0|2,0,1]=4 658 B10R1.113 C[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2658835025 [0,1,0,0,0,0|1,0,2]=4 659 B10R1.113 C[C@@H]1CCN[C@@H](C1)C(=O)O MCULE-6382189211 [0,1,0,0,0,0|2,0,1]=4 660 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-3220705725 [0,1,0,0,0,0|2,0,1]=4 661 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-4368703620 [0,1,0,0,0,0|2,0,1]=4 662 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-5852226290 [0,1,0,0,0,0|2,0,1]=4 663 B10R1.113 C[C@@H]1CCN[C@H](C1)C(=O)O MCULE-8448888283 [0,1,0,0,0,0|2,0,1]=4 664 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-6787897599 [0,1,0,0,0,0|0,0,2]=3 665 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O MCULE-7011808441 [0,1,0,0,0,0|0,0,2]=3 666 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-1640808929 [0,1,0,0,0,0|1,0,1]=3 667 B10R1.113 C[C@@H]1CNC[C@@H](O1)C(=O)O MCULE-5152957457 [0,1,0,0,0,0|1,0,1]=3 668 B10R1.113 C[C@@H]1CNC[C@H](C1)C(=O)O MCULE-8762702780 [0,1,0,0,0,0|0,0,2]=3 669 B10R1.113 C[C@H]1CCC[C@@H](C1)C(=O)O MCULE-2151963828 [0,1,0,0,0,0|1,0,2]=4 670 B10R1.113 C[C@H]1CCC[C@H](C1)C(=O)O MCULE-9191189376 [0,1,0,0,0,0|1,0,2]=4 671 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3797871093 [0,1,0,0,0,0|2,0,1]=4 672 B10R1.113 C[C@H]1CCN[C@@H](C1)C(=O)O MCULE-3813657182 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.113 C[C@H]1CCN[C@H](C1)C(=O)O MCULE-8048617173 [0,1,0,0,0,0|2,0,1]=4 674 B10R1.113 C[C@H]1CNC[C@@H](C1)C(=O)O MCULE-9182357479 [0,1,0,0,0,0|0,0,2]=3 675 B10R1.113 C[C@H]1CNC[C@H](C1)C(=O)O MCULE-7208949681 [0,1,0,0,0,0|0,0,2]=3 676 B10R1.113 C[NH+]1CCC=C(C1)C(=O)O MCULE-8096594321 [0,1,0,0,0,0|0,0,1]=2 677 B10R1.113 NC1C=CC=C(C1)C(=O)O MCULE-1587288561 [0,1,0,0,0,0|1,0,2]=4 678 B10R1.113 NC1C=CC=C(C1)C(=O)O MCULE-8061268006 [0,1,0,0,0,0|1,0,2]=4 679 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-1721377644 [0,1,0,0,0,0|1,0,2]=4 680 B10R1.113 NC1CCCC(C1)C(=O)O MCULE-3598251126 [0,1,0,0,0,0|1,0,2]=4 681 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7071803947 [0,1,0,0,0,0|2,0,1]=4 682 B10R1.113 NC1CCOC(C1)C(=O)O MCULE-7129710557 [0,1,0,0,0,0|2,0,1]=4 683 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5563204448 [0,1,0,0,0,0|1,0,2]=4 684 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-5798146682 [0,1,0,0,0,0|1,0,2]=4 685 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-8105249419 [0,1,0,0,0,0|1,0,2]=4 686 B10R1.113 N[C@@H]1CCC[C@@H](C1)C(=O)O MCULE-9161171059 [0,1,0,0,0,0|1,0,2]=4 687 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2713838733 [0,1,0,0,0,0|1,0,2]=4 688 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-2810146308 [0,1,0,0,0,0|1,0,2]=4 689 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-3141762073 [0,1,0,0,0,0|1,0,2]=4 690 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O MCULE-6970045085 [0,1,0,0,0,0|1,0,2]=4 691 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-5264166397 [0,1,0,0,0,0|2,0,1]=4 692 B10R1.113 N[C@@H]1CCO[C@H](C1)C(=O)O MCULE-6153195788 [0,1,0,0,0,0|2,0,1]=4 693 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-3283868687 [0,1,0,0,0,0|1,0,2]=4 694 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-5009823003 [0,1,0,0,0,0|1,0,2]=4 695 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-6716939610 [0,1,0,0,0,0|1,0,2]=4 696 B10R1.113 N[C@H]1CCC[C@@H](C1)C(=O)O MCULE-8264766500 [0,1,0,0,0,0|1,0,2]=4 697 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-1016300044 [0,1,0,0,0,0|1,0,2]=4 698 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-2730367375 [0,1,0,0,0,0|1,0,2]=4 699 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3326410223 [0,1,0,0,0,0|1,0,2]=4 700 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3370817462 [0,1,0,0,0,0|1,0,2]=4 701 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-3467671648 [0,1,0,0,0,0|1,0,2]=4 702 B10R1.113 N[C@H]1CCC[C@H](C1)C(=O)O MCULE-7929171022 [0,1,0,0,0,0|1,0,2]=4 703 B10R1.113 O=C(O)C1=CC(CCC1)O MCULE-3053514968 [0,1,0,0,0,0|1,0,0]=2 704 B10R1.113 O=C(O)C1=CS(=O)CCC1 MCULE-4974730957 [0,1,0,0,0,0|2,0,0]=3 705 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-2758341308 [0,1,0,0,0,0|2,0,1]=4 706 B10R1.113 O=C(O)C1CC(CCN1)O MCULE-7585455422 [0,1,0,0,0,0|2,0,1]=4 707 B10R1.113 O=C(O)C1CCCC(C1)F MCULE-2589850350 [0,1,0,0,0,0|1,0,2]=4 708 B10R1.113 O=C(O)C1CCCC(C1)O MCULE-9068909742 [0,1,0,0,0,0|1,0,2]=4 709 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-1307689360 [0,1,0,0,0,0|0,0,2]=3 710 B10R1.113 O=C(O)C1CNCC(C1)O MCULE-6671293935 [0,1,0,0,0,0|0,0,2]=3 711 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-2725116552 [0,1,0,0,0,0|2,0,1]=4 712 B10R1.113 O=C(O)C1CS(=O)CCN1 MCULE-7493333189 [0,1,0,0,0,0|2,0,1]=4 713 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-1509835362 [0,1,0,0,0,0|1,0,2]=4 714 B10R1.113 O=C(O)[C@@H]1CCC[C@@H](C1)O MCULE-2282540668 [0,1,0,0,0,0|1,0,2]=4 715 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-2678948022 [0,1,0,0,0,0|1,0,2]=4 716 B10R1.113 O=C(O)[C@@H]1CCC[C@H](C1)O MCULE-6048774329 [0,1,0,0,0,0|1,0,2]=4 717 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-1390000123 [0,1,0,0,0,0|2,0,1]=4 718 B10R1.113 O=C(O)[C@@H]1C[C@@H](CCN1)O MCULE-5873942206 [0,1,0,0,0,0|2,0,1]=4 719 B10R1.113 O=C(O)[C@@H]1C[C@H](CCN1)O MCULE-5317131791 [0,1,0,0,0,0|2,0,1]=4 720 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-1308626340 [0,1,0,0,0,0|1,0,2]=4 721 B10R1.113 O=C(O)[C@H]1CCC[C@@H](C1)O MCULE-5789638591 [0,1,0,0,0,0|1,0,2]=4 722 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3370494896 [0,1,0,0,0,0|1,0,2]=4 723 B10R1.113 O=C(O)[C@H]1CCC[C@H](C1)O MCULE-3728932412 [0,1,0,0,0,0|1,0,2]=4 724 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1474484031 [0,1,0,0,0,0|2,0,1]=4 725 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-1820373402 [0,1,0,0,0,0|2,0,1]=4 726 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4771226737 [0,1,0,0,0,0|2,0,1]=4 727 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-4907773186 [0,1,0,0,0,0|2,0,1]=4 728 B10R1.113 O=C(O)[C@H]1C[C@@H](CCN1)O MCULE-8175624129 [0,1,0,0,0,0|2,0,1]=4 729 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-4751772547 [0,1,0,0,0,0|2,0,1]=4 730 B10R1.113 O=C(O)[C@H]1C[C@H](CCN1)O MCULE-6686826243 [0,1,0,0,0,0|2,0,1]=4 731 B10R1.113 O=C1C=C(CCC1)C(=O)O MCULE-6477437107 [0,1,0,0,0,0|1,0,1]=3 732 B10R1.113 O=C1CC(=CC=N1)C(=O)O MCULE-3789271459 [0,1,0,0,0,0|2,0,1]=4 733 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [0,1,0,0,0,0|1,0,2]=4 734 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [0,1,0,0,0,0|1,0,2]=4 735 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [0,1,0,0,0,0|1,0,2]=4 736 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-6916176336 [0,1,0,0,0,0|2,0,1]=4 737 B10R1.113 O=C1CCNC(C1)C(=O)O MCULE-9262761817 [0,1,0,0,0,0|2,0,1]=4 738 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-1115212106 [0,1,0,0,0,0|2,0,1]=4 739 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5896394571 [0,1,0,0,0,0|2,0,1]=4 740 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-5937606037 [0,1,0,0,0,0|2,0,1]=4 741 B10R1.113 O=C1CCN[C@@H](C1)C(=O)O MCULE-7073629862 [0,1,0,0,0,0|2,0,1]=4 742 B10R1.113 O=C1CNCC(N1)C(=O)O MCULE-4117148380 [0,1,0,0,0,0|1,0,2]=4 743 B10R1.113 O=C1CNC[C@@H](N1)C(=O)O MCULE-3006600193 [0,1,0,0,0,0|1,0,2]=4 744 B10R1.113 O=C1CNC[C@H](N1)C(=O)O MCULE-4345470043 [0,1,0,0,0,0|1,0,2]=4 745 B10R1.113 [C@@H]1(CCCC(N1)C)C(=O)O MCULE-7930307305 [0,1,0,0,0,0|2,0,1]=4 746 B10R1.113 [C@H]1(CCCN(C1)C)C(=O)O MCULE-4364645223 [0,1,0,0,0,0|0,0,2]=3 747 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-2539251802 [0,1,0,0,0,0|1,0,2]=4 748 B10R1.113 [C@H]1(CCC[C@H](C1)C(=O)O)N MCULE-4407634771 [0,1,0,0,0,0|1,0,2]=4 749 B10R1.363 CC1(C=CCCC1)C(=O)O MCULE-7610148262 [0,1,0,0,0,0|1,0,2]=4 750 B10R1.363 CC1(CCCCC1)C(=O)O MCULE-8617368211 [0,1,0,0,0,0|1,0,2]=4 751 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-4353837718 [0,1,0,0,0,0|2,0,1]=4 752 B10R1.363 CC1(CCCCN1)C(=O)O MCULE-5823768018 [0,1,0,0,0,0|2,0,1]=4 753 B10R1.363 CC1(CCCCO1)C(=O)O MCULE-8167039984 [0,1,0,0,0,0|2,0,1]=4 754 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-6281064804 [0,1,0,0,0,0|1,0,2]=4 755 B10R1.363 CC1(CCCNC1)C(=O)N MCULE-7011930506 [0,1,0,0,0,0|1,0,2]=4 756 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-1830247756 [0,1,0,0,0,0|0,0,2]=3 757 B10R1.363 CC1(CCCNC1)C(=O)O MCULE-4554317503 [0,1,0,0,0,0|0,0,2]=3 758 B10R1.363 CC1(CCCOC1)C(=O)O MCULE-3722771180 [0,1,0,0,0,0|1,0,2]=4 759 B10R1.363 CC1(CNCCO1)C(=O)N MCULE-9521473906 [0,1,0,0,0,0|2,0,1]=4 760 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-6864976931 [0,1,0,0,0,0|1,0,1]=3 761 B10R1.363 CC1(CNCCO1)C(=O)O MCULE-7815848744 [0,1,0,0,0,0|1,0,1]=3 762 B10R1.363 CC1(COCCN1)C(=O)O MCULE-2577762263 [0,1,0,0,0,0|2,0,1]=4 763 B10R1.363 CC1(COCCN1)C(=O)O MCULE-4596611063 [0,1,0,0,0,0|2,0,1]=4 764 B10R1.363 CC1(COCCO1)C(=O)O MCULE-5074851185 [0,1,0,0,0,0|2,0,1]=4 765 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-2751244606 [0,1,0,0,0,0|2,0,1]=4 766 B10R1.363 C[C@@]1(CCCCN1)C(=O)O MCULE-9588562839 [0,1,0,0,0,0|2,0,1]=4 767 B10R1.363 C[C@@]1(CCCCO1)C(=O)O MCULE-8351337180 [0,1,0,0,0,0|2,0,1]=4 768 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-2580172241 [0,1,0,0,0,0|0,0,2]=3 769 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-5735574050 [0,1,0,0,0,0|0,0,2]=3 770 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-6097682986 [0,1,0,0,0,0|0,0,2]=3 771 B10R1.363 C[C@@]1(CCCNC1)C(=O)O MCULE-8361078667 [0,1,0,0,0,0|0,0,2]=3 772 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-2019738412 [0,1,0,0,0,0|2,0,1]=4 773 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-5663835052 [0,1,0,0,0,0|2,0,1]=4 774 B10R1.363 C[C@]1(CCCCN1)C(=O)O MCULE-8254704116 [0,1,0,0,0,0|2,0,1]=4 775 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-1520204390 [0,1,0,0,0,0|2,0,1]=4 776 B10R1.363 C[C@]1(CCCCO1)C(=O)O MCULE-5357080399 [0,1,0,0,0,0|2,0,1]=4 777 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-4789999853 [0,1,0,0,0,0|0,0,2]=3 778 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-5338426663 [0,1,0,0,0,0|0,0,2]=3 779 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-6021049561 [0,1,0,0,0,0|0,0,2]=3 780 B10R1.363 C[C@]1(CCCNC1)C(=O)O MCULE-7816386590 [0,1,0,0,0,0|0,0,2]=3 781 B10R1.363 NC(=O)C1(CCCNC1)O MCULE-5624973083 [0,1,0,0,0,0|1,0,2]=4 782 B10R1.363 NC1(CCCCC1)C(=O)O MCULE-9219404299 [0,1,0,0,0,0|1,0,2]=4 783 B10R1.363 NC1(CCCOC1)C(=O)O MCULE-7592747043 [0,1,0,0,0,0|1,0,2]=4 784 B10R1.363 NC1(CCCSC1)C(=O)O MCULE-5875012341 [0,1,0,0,0,0|1,0,2]=4 785 B10R1.363 O=C(O)C1(CCCCC1)Br MCULE-4457572618 [0,1,0,0,0,0|1,0,2]=4 786 B10R1.363 O=C(O)C1(CCCCC1)Cl MCULE-9172453010 [0,1,0,0,0,0|1,0,2]=4 787 B10R1.363 O=C(O)C1(CCCCC1)F MCULE-6566089811 [0,1,0,0,0,0|1,0,2]=4 788 B10R1.363 O=C(O)C1(CCCCC1)O MCULE-8504861268 [0,1,0,0,0,0|1,0,2]=4 789 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-4880129058 [0,1,0,0,0,0|0,0,2]=3 790 B10R1.363 O=C(O)C1(CCCNC1)O MCULE-9960592206 [0,1,0,0,0,0|0,0,2]=3 791 B10R1.363 O=C(O)C1(CCCOC1)F MCULE-8290066035 [0,1,0,0,0,0|1,0,2]=4 792 B10R1.363 [NH3+]C1(CCCCC1)C(=O)O MCULE-1248384499 [0,1,0,0,0,0|1,0,2]=4 793 B8R0.7 C=CCCCCC(=O)O MCULE-1991116122 [0,0,1,0,0,0|1,0,2]=4 794 B8R0.7 C=CCNCC=C(C)Cl MCULE-2495016323 [0,0,1,0,0,0|2,0,1]=4 795 B8R0.7 C=CCNCC=C(C)Cl MCULE-2773050930 [0,0,1,0,0,0|2,0,1]=4 796 B8R0.7 C=CCNCCC(=O)N MCULE-4087711448 [0,0,1,0,0,0|1,0,2]=4 797 B8R0.7 C=CCOCCC(=O)O MCULE-6102747899 [0,0,1,0,0,0|1,0,2]=4 798 B8R0.7 CCC=CC=CC(=O)O MCULE-2259149573 [0,0,1,0,0,0|1,0,2]=4 799 B8R0.7 CCCC/C=C/B(O)O MCULE-9877577042 [0,0,1,0,0,0|2,0,1]=4 800 B8R0.7 CCCC/C=C/C(=O)C MCULE-1532446839 [0,0,1,0,0,0|2,0,0]=3 801 B8R0.7 CCCC/C=C/C(=O)O MCULE-6916224344 [0,0,1,0,0,0|1,0,0]=2 802 B8R0.7 CCCC=CCC(=O)O MCULE-3879649411 [0,0,1,0,0,0|1,0,2]=4 803 B8R0.7 CCCCC#CC(=O)O MCULE-4160128187 [0,0,1,0,0,0|1,0,2]=4 804 B8R0.7 CCCCC=CB(O)O MCULE-3896372455 [0,0,1,0,0,0|2,0,1]=4 805 B8R0.7 CCCCC=CC(=O)C MCULE-6026245958 [0,0,1,0,0,0|2,0,0]=3 806 B8R0.7 CCCCC=CC(=O)Cl MCULE-3883159938 [0,0,1,0,0,0|2,0,0]=3 807 B8R0.7 CCCCC=CC(=O)O MCULE-6837768730 [0,0,1,0,0,0|1,0,0]=2 808 B8R0.7 CCCCCCC(=O)O MCULE-1489137568 [0,0,1,0,0,0|1,0,2]=4 809 B8R0.7 CCCCNCC(=O)O MCULE-4725221957 [0,0,1,0,0,0|2,0,1]=4 810 B8R0.7 CCCCOCC(=O)O MCULE-9634255761 [0,0,1,0,0,0|2,0,1]=4 811 B8R0.7 CCCCSCC(=O)O MCULE-3580384865 [0,0,1,0,0,0|2,0,1]=4 812 B8R0.7 CCCNCCC(=O)N MCULE-2654608736 [0,0,1,0,0,0|1,0,2]=4 813 B8R0.7 CCCNCCC(=O)N MCULE-2683588523 [0,0,1,0,0,0|1,0,2]=4 814 B8R0.7 CCCNCCC(=O)O MCULE-3144740259 [0,0,1,0,0,0|0,0,2]=3 815 B8R0.7 CCCNCCC(=O)O MCULE-3866165037 [0,0,1,0,0,0|0,0,2]=3 816 B8R0.7 CCCOCCC(=O)O MCULE-1927238608 [0,0,1,0,0,0|1,0,2]=4 817 B8R0.7 CCCSC=CC(=O)O MCULE-3074287995 [0,0,1,0,0,0|2,0,0]=3 818 B8R0.7 CCCSC=CC(=O)[O-] MCULE-9917981235 [0,0,1,0,0,0|2,0,1]=4 819 B8R0.7 CCCSCCC(=O)O MCULE-6454518290 [0,0,1,0,0,0|1,0,2]=4 820 B8R0.7 CNCCCCC(=O)O MCULE-4298567521 [0,0,1,0,0,0|0,0,2]=3 821 B8R0.7 CNCCCCC(=O)O MCULE-5688320983 [0,0,1,0,0,0|0,0,2]=3 822 B8R0.7 CNCCCNC(=O)C MCULE-2682619502 [0,0,1,0,0,0|2,0,1]=4 823 B8R0.7 CNCCCNC(=O)C MCULE-3477977807 [0,0,1,0,0,0|2,0,1]=4 824 B8R0.7 CNCCOCC(=O)O MCULE-5408672373 [0,0,1,0,0,0|1,0,1]=3 825 B8R0.7 COCCCCC(=O)O MCULE-1268596288 [0,0,1,0,0,0|1,0,2]=4 826 B8R0.7 COCCNCC(=O)O MCULE-2703110743 [0,0,1,0,0,0|2,0,1]=4 827 B8R0.7 COCCNCC(=O)O MCULE-5854004501 [0,0,1,0,0,0|2,0,1]=4 828 B8R0.7 COCCOCC(=O)O MCULE-2561278418 [0,0,1,0,0,0|2,0,1]=4 829 B8R0.7 COCCSCC(=O)O MCULE-2908610834 [0,0,1,0,0,0|2,0,1]=4 830 B8R0.7 CSCCCCC(=O)O MCULE-4498129620 [0,0,1,0,0,0|1,0,2]=4 831 B8R0.7 CSCCNCC(=O)O MCULE-1747724833 [0,0,1,0,0,0|2,0,1]=4 832 B8R0.7 CSCCNCC(=O)O MCULE-9991325079 [0,0,1,0,0,0|2,0,1]=4 833 B8R0.7 CSCCOCC(=O)O MCULE-2038020159 [0,0,1,0,0,0|2,0,1]=4 834 B8R0.7 NC(=O)CCNCCS MCULE-4682566242 [0,0,1,0,0,0|2,0,1]=4 835 B8R0.7 NCCCCCC(=O)O MCULE-3640363033 [0,0,1,0,0,0|2,0,1]=4 836 B8R0.7 NCCCCCC(=O)O MCULE-6389520144 [0,0,1,0,0,0|2,0,1]=4 837 B8R0.7 NCCNCCC(=O)O MCULE-6596967912 [0,0,1,0,0,0|1,0,1]=3 838 B8R0.7 NCCNCCC(=O)[O-] MCULE-8896439746 [0,0,1,0,0,0|1,0,2]=4 839 B8R0.7 NCCOCCC(=O)O MCULE-8535110656 [0,0,1,0,0,0|2,0,1]=4 840 B8R0.7 NCCOCCC(=O)O MCULE-9124828795 [0,0,1,0,0,0|2,0,1]=4 841 B8R0.7 NCCSCCC(=O)O MCULE-5309234181 [0,0,1,0,0,0|2,0,1]=4 842 B8R0.7 O=C(O)CCCCCBr MCULE-2086088700 [0,0,1,0,0,0|2,0,1]=4 843 B8R0.7 O=C(O)CCCCCCl MCULE-3419329115 [0,0,1,0,0,0|2,0,1]=4 844 B8R0.7 O=C(O)CCCCCF MCULE-6736431365 [0,0,1,0,0,0|2,0,1]=4 845 B8R0.7 O=C(O)CCCCCO MCULE-9202536119 [0,0,1,0,0,0|2,0,1]=4 846 B8R0.7 O=C(O)CCCCCS MCULE-1414350107 [0,0,1,0,0,0|2,0,1]=4 847 B8R0.7 O=C(O)CCNCCO MCULE-6594831168 [0,0,1,0,0,0|1,0,1]=3 848 B8R0.7 O=C(O)CCOCCBr MCULE-8991363781 [0,0,1,0,0,0|2,0,1]=4 849 B8R0.7 O=C(O)CCOCCO MCULE-7271806926 [0,0,1,0,0,0|2,0,1]=4 850 B8R0.7 O=C(O)CCOCCS MCULE-2136117046 [0,0,1,0,0,0|2,0,1]=4 851 B8R0.7 O=C(O)CCSCCO MCULE-4689447674 [0,0,1,0,0,0|2,0,1]=4 852 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,0,1,0,0,0|1,0,2]=4 853 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,0,1,0,0,0|1,0,1]=3 854 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,0,1,0,0,0|1,0,1]=3 855 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,0,1,0,0,0|2,0,1]=4 856 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,0,1,0,0,0|1,0,0]=2 857 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,0,1,0,0,0|1,0,0]=2 858 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,0,1,0,0,0|3,0,0]=4 859 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,0,1,0,0,0|2,0,0]=3 860 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,0,1,0,0,0|2,0,1]=4 861 B8R0.8 CCCCC(Br)C(=O)O MCULE-5428502537 [0,0,1,0,0,0|2,0,1]=4 862 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,0,1,0,0,0|1,0,2]=4 863 B8R0.8 CCCCC(F)C(=O)O MCULE-2276381656 [0,0,1,0,0,0|2,0,1]=4 864 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,0,1,0,0,0|2,0,1]=4 865 B8R0.8 CCCCC(O)C(=O)O MCULE-2557585903 [0,0,1,0,0,0|2,0,1]=4 866 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,0,1,0,0,0|1,0,2]=4 867 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,0,1,0,0,0|2,0,1]=4 868 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,0,1,0,0,0|2,0,1]=4 869 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,0,1,0,0,0|1,0,2]=4 870 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,0,1,0,0,0|1,0,2]=4 871 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,0,1,0,0,0|2,0,1]=4 872 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,0,1,0,0,0|2,0,1]=4 873 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,0,1,0,0,0|3,0,0]=4 874 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,0,1,0,0,0|2,0,1]=4 875 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,0,1,0,0,0|0,0,2]=3 876 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,0,1,0,0,0|0,0,2]=3 877 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,0,1,0,0,0|1,0,2]=4 878 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,0,1,0,0,0|2,0,1]=4 879 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,0,1,0,0,0|2,0,1]=4 880 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,0,1,0,0,0|2,0,1]=4 881 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,0,1,0,0,0|2,0,1]=4 882 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,0,1,0,0,0|2,0,1]=4 883 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,0,1,0,0,0|3,0,0]=4 884 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,0,1,0,0,0|1,0,2]=4 885 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,0,1,0,0,0|1,0,2]=4 886 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,0,1,0,0,0|1,0,2]=4 887 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,0,1,0,0,0|1,0,2]=4 888 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,0,1,0,0,0|1,0,2]=4 889 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,0,1,0,0,0|1,0,2]=4 890 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,0,1,0,0,0|1,0,2]=4 891 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,0,1,0,0,0|1,0,2]=4 892 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,0,1,0,0,0|1,0,2]=4 893 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,0,1,0,0,0|1,0,2]=4 894 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,0,1,0,0,0|1,0,2]=4 895 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,0,1,0,0,0|1,0,2]=4 896 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,0,1,0,0,0|1,0,2]=4 897 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,0,1,0,0,0|1,0,2]=4 898 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,0,1,0,0,0|1,0,2]=4 899 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,0,1,0,0,0|1,0,2]=4 900 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,0,1,0,0,0|1,0,2]=4 901 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,0,1,0,0,0|1,0,2]=4 902 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,0,1,0,0,0|2,0,1]=4 903 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,0,1,0,0,0|2,0,1]=4 904 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,0,1,0,0,0|2,0,1]=4 905 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,0,1,0,0,0|2,0,1]=4 906 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,0,1,0,0,0|2,0,1]=4 907 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,0,1,0,0,0|2,0,1]=4 908 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,0,1,0,0,0|1,0,2]=4 909 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,0,1,0,0,0|1,0,2]=4 910 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,0,1,0,0,0|2,0,1]=4 911 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,0,1,0,0,0|2,0,1]=4 912 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,0,1,0,0,0|2,0,1]=4 913 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,0,1,0,0,0|2,0,1]=4 914 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,0,1,0,0,0|2,0,1]=4 915 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,0,1,0,0,0|2,0,1]=4 916 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,0,1,0,0,0|2,0,1]=4 917 B8R0.15 COCC(OC)C(=O)O MCULE-5776685365 [0,0,1,0,0,0|2,0,1]=4 918 B10R2.61 O=C1OC2CCNC1C2 MCULE-8392788767 [0,0,0,1,0,0|2,0,1]=4 919 B10R2.61 O=C1OC2CCOC1C2 MCULE-4977323499 [0,0,0,1,0,0|2,0,1]=4 920 B10R2.62 C12CCC(CC1)C(=O)O2 MCULE-4611258343 [0,0,0,1,0,0|1,0,2]=4 921 B10R2.62 O=C1CC2CCC1CN2 MCULE-3732970881 [0,0,0,1,0,0|1,0,2]=4 922 B10R2.62 O=C1CC2CCC1CN2 MCULE-5949700463 [0,0,0,1,0,0|1,0,2]=4 923 B10R2.62 O=C1OC2CCC1CC2 MCULE-7150392682 [0,0,0,1,0,0|1,0,2]=4 924 B10R2.344 O=C(O)C12CC1CCN2 MCULE-8958769379 [0,0,0,1,0,0|2,0,1]=4 925 B10R2.344 O=C(O)C12CC1CCN2 MCULE-9918894627 [0,0,0,1,0,0|2,0,1]=4 926 B10R2.344 O=C(O)C12CCCC1C2 MCULE-1433395114 [0,0,0,1,0,0|1,0,2]=4 927 B10R2.344 O=C(O)C12CNCC1C2 MCULE-1023234959 [0,0,0,1,0,0|0,0,2]=3 928 B10R2.344 O=C(O)C12CNCC1C2 MCULE-2698470641 [0,0,0,1,0,0|0,0,2]=3 929 B10R2.344 O=C(O)C12COCC1C2 MCULE-4962599130 [0,0,0,1,0,0|1,0,2]=4 930 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-8361805191 [0,0,0,1,0,0|2,0,1]=4 931 B10R2.344 O=C(O)[C@@]12CC1CCN2 MCULE-9298532680 [0,0,0,1,0,0|2,0,1]=4 932 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-5335382694 [0,0,0,1,0,0|1,0,2]=4 933 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 MCULE-6955865926 [0,0,0,1,0,0|1,0,2]=4 934 B10R2.344 O=C(O)[C@]12COCC1C2 MCULE-6646373866 [0,0,0,1,0,0|1,0,2]=4 935 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-1926490936 [0,0,0,1,0,0|1,0,2]=4 936 B10R2.344 [C@@H]12COC[C@@]1(C2)C(=O)O MCULE-4045090245 [0,0,0,1,0,0|1,0,2]=4 937 B10R2.351 O=C(O)C1C2C1CCC2 MCULE-5457069948 [0,0,0,1,0,0|1,0,2]=4 938 B10R2.351 O=C(O)C1C2C1OCC2 MCULE-7995568672 [0,0,0,1,0,0|1,0,2]=4 939 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-8087821545 [0,0,0,1,0,0|2,0,1]=4 940 B10R2.355 O=C(O)C1NCC2C1C2 MCULE-9943749675 [0,0,0,1,0,0|2,0,1]=4 941 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-3741942930 [0,0,0,1,0,0|2,0,1]=4 942 B10R2.355 O=C(O)C1NC[C@@H]2[C@H]1C2 MCULE-8099098772 [0,0,0,1,0,0|2,0,1]=4 943 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-6549710478 [0,0,0,1,0,0|2,0,1]=4 944 B10R2.355 O=C(O)[C@@H]1NC[C@@H]2[C@H]1C2 MCULE-7349536483 [0,0,0,1,0,0|2,0,1]=4 945 B10R2.355 O=C(O)[C@H]1NC[C@@H]2[C@H]1C2 MCULE-1865131686 [0,0,0,1,0,0|2,0,1]=4 946 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-3923610209 [0,0,0,1,0,0|2,0,1]=4 947 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-6551780838 [0,0,0,1,0,0|2,0,1]=4 948 B10R2.355 O=C(O)[C@H]1NC[C@H]2[C@@H]1C2 MCULE-9694754423 [0,0,0,1,0,0|2,0,1]=4 949 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-4493728887 [0,0,0,1,0,0|2,0,1]=4 950 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8766409370 [0,0,0,1,0,0|2,0,1]=4 951 B10R2.355 [C@@H]12CN[C@@H]([C@@H]1C2)C(=O)O MCULE-8840539566 [0,0,0,1,0,0|2,0,1]=4 952 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-1970630066 [0,0,0,1,0,0|2,0,1]=4 953 B10R2.355 [C@@H]12CN[C@H]([C@@H]1C2)C(=O)O MCULE-7946950016 [0,0,0,1,0,0|2,0,1]=4 954 B10R2.355 [C@H]12C[C@H]1CN[C@@H]2C(=O)O MCULE-9408302039 [0,0,0,1,0,0|2,0,1]=4 955 B10R2.355 [C@H]12C[C@H]1CN[C@H]2C(=O)O MCULE-4802776373 [0,0,0,1,0,0|2,0,1]=4 956 B10R2.357 O=C(O)C1CC2CC2C1 MCULE-9890442572 [0,0,0,1,0,0|1,0,2]=4 957 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-4212410891 [0,0,0,1,0,0|2,0,1]=4 958 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-5642169472 [0,0,0,1,0,0|2,0,1]=4 959 B10R2.357 O=C(O)C1CC2CC2N1 MCULE-6526449280 [0,0,0,1,0,0|2,0,1]=4 960 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8901519673 [0,0,0,1,0,0|2,0,1]=4 961 B10R2.357 O=C(O)[C@@H]1C[C@@H]2C[C@@H]2N1 MCULE-8974728452 [0,0,0,1,0,0|2,0,1]=4 962 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-2251552616 [0,0,0,1,0,0|2,0,1]=4 963 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-3670081653 [0,0,0,1,0,0|2,0,1]=4 964 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-4127413852 [0,0,0,1,0,0|2,0,1]=4 965 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 MCULE-5543837378 [0,0,0,1,0,0|2,0,1]=4 966 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2699537727 [0,0,0,1,0,0|2,0,1]=4 967 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-2957583599 [0,0,0,1,0,0|2,0,1]=4 968 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-8019742930 [0,0,0,1,0,0|2,0,1]=4 969 B10R2.357 [C@@H]12C[C@@H](N[C@@H]1C2)C(=O)O MCULE-9906255485 [0,0,0,1,0,0|2,0,1]=4 970 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-3004356941 [0,0,0,1,0,0|2,0,1]=4 971 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-7104749205 [0,0,0,1,0,0|2,0,1]=4 972 B10R2.357 [C@H]12C[C@H]1C[C@H](N2)C(=O)O MCULE-9522199577 [0,0,0,1,0,0|2,0,1]=4 973 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,0,0,0,1,0|1,0,2]=4 974 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,0,0,0,1,0|1,0,2]=4 975 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [0,0,0,0,1,0|1,0,1]=3 976 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [0,0,0,0,1,0|1,0,1]=3 977 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,0,0,0,1,0|0,0,1]=2 978 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,0,0,0,1,0|0,0,1]=2 979 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [0,0,0,0,1,0|1,0,1]=3 980 B8R1.7 C1=NC(=CS1)C(=O)O MCULE-4723437766 [0,0,0,0,1,0|1,0,2]=4 981 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,0,0,0,1,0|1,0,2]=4 982 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,0,0,0,1,0|1,0,0]=2 983 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,0,0,0,1,0|1,0,2]=4 984 B8R1.7 CC(=O)C1=CNN=C1 MCULE-2423677830 [0,0,0,0,1,0|2,0,1]=4 985 B8R1.7 CC(=O)C1=CNN=C1 MCULE-5581334055 [0,0,0,0,1,0|2,0,1]=4 986 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,0,0,0,1,0|2,0,1]=4 987 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [0,0,0,0,1,0|2,0,1]=4 988 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [0,0,0,0,1,0|2,0,1]=4 989 B8R1.7 CC(=O)C1=NNN=C1 MCULE-3528005164 [0,0,0,0,1,0|3,0,0]=4 990 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,0,0,0,1,0|1,0,2]=4 991 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,0,0,0,1,0|1,0,2]=4 992 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,0,0,0,1,0|1,0,2]=4 993 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,0,0,0,1,0|2,0,1]=4 994 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [0,0,0,0,1,0|1,0,1]=3 995 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [0,0,0,0,1,0|1,0,1]=3 996 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [0,0,0,0,1,0|2,0,1]=4 997 B8R1.7 CC(=O)C1NCCS1 MCULE-4092674646 [0,0,0,0,1,0|2,0,1]=4 998 B8R1.7 CC(=O)C1NCCS1 MCULE-8660367055 [0,0,0,0,1,0|2,0,1]=4 999 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,0,0,0,1,0|2,0,1]=4 1000 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,0,0,0,1,0|1,0,2]=4 1001 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,0,0,0,1,0|1,0,2]=4 1002 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,0,0,0,1,0|1,0,2]=4 1003 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,0,0,0,1,0|1,0,2]=4 1004 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,0,0,0,1,0|2,0,1]=4 1005 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,0,0,0,1,0|2,0,1]=4 1006 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,0,0,0,1,0|1,0,2]=4 1007 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,0,0,0,1,0|1,0,2]=4 1008 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,0,0,0,1,0|2,0,1]=4 1009 B8R1.7 CC(O)C1CCNC1 MCULE-3316354505 [0,0,0,0,1,0|1,0,2]=4 1010 B8R1.7 CC(O)C1CCNC1 MCULE-6188875194 [0,0,0,0,1,0|1,0,2]=4 1011 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,0,0,0,1,0|1,0,2]=4 1012 B8R1.7 NC(=O)C1=CC=NN1 MCULE-8826349790 [0,0,0,0,1,0|2,0,1]=4 1013 B8R1.7 NC(=O)C1=CNC=C1 MCULE-1008967076 [0,0,0,0,1,0|1,0,2]=4 1014 B8R1.7 NC(=O)C1=CNN=C1 MCULE-1267271600 [0,0,0,0,1,0|2,0,1]=4 1015 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,0,0,0,1,0|2,0,0]=3 1016 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,0,0,0,1,0|1,0,2]=4 1017 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,0,0,0,1,0|1,0,2]=4 1018 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,0,0,0,1,0|1,0,2]=4 1019 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,0,0,0,1,0|2,0,1]=4 1020 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [0,0,0,0,1,0|1,0,1]=3 1021 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [0,0,0,0,1,0|1,0,1]=3 1022 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [0,0,0,0,1,0|2,0,1]=4 1023 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,0,0,0,1,0|2,0,1]=4 1024 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,0,0,0,1,0|1,0,2]=4 1025 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,0,0,0,1,0|1,0,2]=4 1026 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,0,0,0,1,0|1,0,2]=4 1027 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,0,0,0,1,0|1,0,2]=4 1028 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,0,0,0,1,0|1,0,2]=4 1029 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,0,0,0,1,0|1,0,2]=4 1030 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,0,0,0,1,0|1,0,2]=4 1031 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,0,0,0,1,0|1,0,2]=4 1032 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,0,0,0,1,0|2,0,1]=4 1033 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,0,0,0,1,0|2,0,1]=4 1034 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [0,0,0,0,1,0|1,0,1]=3 1035 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [0,0,0,0,1,0|1,0,1]=3 1036 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [0,0,0,0,1,0|1,0,1]=3 1037 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [0,0,0,0,1,0|1,0,1]=3 1038 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,0,0,0,1,0|1,0,2]=4 1039 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,0,0,0,1,0|1,0,2]=4 1040 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,0,0,0,1,0|1,0,2]=4 1041 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,0,0,0,1,0|1,0,2]=4 1042 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [0,0,0,0,1,0|1,0,1]=3 1043 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [0,0,0,0,1,0|1,0,1]=3 1044 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [0,0,0,0,1,0|1,0,1]=3 1045 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [0,0,0,0,1,0|1,0,1]=3 1046 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [0,0,0,0,1,0|2,0,1]=4 1047 B8R1.7 NC(=S)C1CCNC1 MCULE-4169836111 [0,0,0,0,1,0|1,1,1]=4 1048 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,0,0,0,1,0|1,0,2]=4 1049 B8R1.7 O=C(Cl)C1=CC=NN1 MCULE-9336611884 [0,0,0,0,1,0|2,0,1]=4 1050 B8R1.7 O=C(Cl)C1=CN=CN1 MCULE-9136436568 [0,0,0,0,1,0|2,0,1]=4 1051 B8R1.7 O=C(Cl)C1=CNN=C1 MCULE-1977295426 [0,0,0,0,1,0|2,0,1]=4 1052 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,0,0,0,1,0|1,0,2]=4 1053 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,0,0,0,1,0|2,0,1]=4 1054 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [0,0,0,0,1,0|2,0,1]=4 1055 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,0,0,0,1,0|2,0,1]=4 1056 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,0,0,0,1,0|0,0,2]=3 1057 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,0,0,0,1,0|1,0,2]=4 1058 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,0,0,0,1,0|1,0,2]=4 1059 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,0,0,0,1,0|1,0,2]=4 1060 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [0,0,0,0,1,0|1,0,2]=4 1061 B8R1.7 O=C(O)C1=CC=NS1 MCULE-2138423832 [0,0,0,0,1,0|1,0,2]=4 1062 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,0,0,0,1,0|0,0,0]=1 1063 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,0,0,0,1,0|1,0,0]=2 1064 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,0,0,0,1,0|1,0,0]=2 1065 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,0,0,0,1,0|0,0,0]=1 1066 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,0,0,0,1,0|0,0,0]=1 1067 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,0,0,0,1,0|1,0,0]=2 1068 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,0,0,0,1,0|1,0,0]=2 1069 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,0,0,0,1,0|2,0,1]=4 1070 B8R1.7 O=C(O)C1=CN=CS1 MCULE-2664666751 [0,0,0,0,1,0|2,0,1]=4 1071 B8R1.7 O=C(O)C1=CN=NN1 MCULE-1013254576 [0,0,0,0,1,0|2,0,0]=3 1072 B8R1.7 O=C(O)C1=CN=NN1 MCULE-7639489993 [0,0,0,0,1,0|2,0,0]=3 1073 B8R1.7 O=C(O)C1=CN=NS1 MCULE-6369402827 [0,0,0,0,1,0|2,0,1]=4 1074 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [0,0,0,0,1,0|0,0,2]=3 1075 B8R1.7 O=C(O)C1=CNC=N1 MCULE-2208605512 [0,0,0,0,1,0|1,0,2]=4 1076 B8R1.7 O=C(O)C1=CNN=C1 MCULE-8448917990 [0,0,0,0,1,0|1,0,1]=3 1077 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [0,0,0,0,1,0|1,0,2]=4 1078 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [0,0,0,0,1,0|1,0,2]=4 1079 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [0,0,0,0,1,0|1,0,2]=4 1080 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,0,0,0,1,0|1,0,0]=2 1081 B8R1.7 O=C(O)C1=CON=C1 MCULE-7299487683 [0,0,0,0,1,0|1,0,2]=4 1082 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,0,0,0,1,0|1,0,2]=4 1083 B8R1.7 O=C(O)C1=CSC=N1 MCULE-6783174927 [0,0,0,0,1,0|1,0,2]=4 1084 B8R1.7 O=C(O)C1=CSC=N1 MCULE-8933604600 [0,0,0,0,1,0|1,0,2]=4 1085 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,0,0,0,1,0|2,0,0]=3 1086 B8R1.7 O=C(O)C1=CSN=C1 MCULE-7435297495 [0,0,0,0,1,0|1,0,2]=4 1087 B8R1.7 O=C(O)C1=CSN=N1 MCULE-1656119426 [0,0,0,0,1,0|2,0,1]=4 1088 B8R1.7 O=C(O)C1=C[NH2+]N=C1 MCULE-2787032965 [0,0,0,0,1,0|1,0,2]=4 1089 B8R1.7 O=C(O)C1=NC=CN1 MCULE-2287559596 [0,0,0,0,1,0|1,0,2]=4 1090 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,0,0,0,1,0|1,0,0]=2 1091 B8R1.7 O=C(O)C1=NN=NN1 MCULE-3471680359 [0,0,0,0,1,0|3,0,0]=4 1092 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [0,0,0,0,1,0|1,0,1]=3 1093 B8R1.7 O=C(O)C1=NNC=N1 MCULE-4465582152 [0,0,0,0,1,0|2,0,1]=4 1094 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [0,0,0,0,1,0|1,0,2]=4 1095 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,0,0,0,1,0|2,0,0]=3 1096 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [0,0,0,0,1,0|2,0,1]=4 1097 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [0,0,0,0,1,0|1,0,2]=4 1098 B8R1.7 O=C(O)C1=NSN=C1 MCULE-1904082193 [0,0,0,0,1,0|2,0,1]=4 1099 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,0,0,0,1,0|0,0,2]=3 1100 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,0,0,0,1,0|0,0,2]=3 1101 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,0,0,0,1,0|0,0,2]=3 1102 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,0,0,0,1,0|0,0,2]=3 1103 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,0,0,0,1,0|0,0,2]=3 1104 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,0,0,0,1,0|1,0,2]=4 1105 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [0,0,0,0,1,0|1,0,2]=4 1106 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,0,0,0,1,0|1,0,2]=4 1107 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,0,0,0,1,0|0,0,2]=3 1108 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,0,0,0,1,0|0,0,2]=3 1109 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,0,0,0,1,0|0,0,2]=3 1110 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,0,0,0,1,0|0,0,2]=3 1111 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,0,0,0,1,0|0,0,2]=3 1112 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,0,0,0,1,0|1,0,1]=3 1113 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,0,0,0,1,0|1,0,1]=3 1114 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,0,0,0,1,0|1,0,1]=3 1115 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,0,0,0,1,0|0,0,1]=2 1116 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,0,0,0,1,0|0,0,1]=2 1117 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,0,0,0,1,0|0,0,1]=2 1118 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [0,0,0,0,1,0|1,0,1]=3 1119 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [0,0,0,0,1,0|1,0,1]=3 1120 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,0,0,0,1,0|1,0,2]=4 1121 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,0,0,0,1,0|1,0,2]=4 1122 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,0,0,0,1,0|1,0,2]=4 1123 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,0,0,0,1,0|1,0,2]=4 1124 B8R1.7 O=C(O)C1CSSC1 MCULE-8231952386 [0,0,0,0,1,0|2,0,1]=4 1125 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,0,0,0,1,0|1,0,1]=3 1126 B8R1.7 O=C(O)C1SCCS1 MCULE-4466563646 [0,0,0,0,1,0|2,0,1]=4 1127 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,0,0,0,1,0|1,0,1]=3 1128 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,0,0,0,1,0|0,0,2]=3 1129 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,0,0,0,1,0|0,0,2]=3 1130 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,0,0,0,1,0|0,0,2]=3 1131 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,0,0,0,1,0|0,0,2]=3 1132 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,0,0,0,1,0|0,0,2]=3 1133 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,0,0,0,1,0|0,0,2]=3 1134 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,0,0,0,1,0|0,0,2]=3 1135 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,0,0,0,1,0|0,0,2]=3 1136 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,0,0,0,1,0|1,0,1]=3 1137 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,0,0,0,1,0|1,0,1]=3 1138 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,0,0,0,1,0|0,0,1]=2 1139 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,0,0,0,1,0|0,0,1]=2 1140 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,0,0,0,1,0|0,0,1]=2 1141 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,0,0,0,1,0|0,0,1]=2 1142 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [0,0,0,0,1,0|1,0,1]=3 1143 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [0,0,0,0,1,0|1,0,1]=3 1144 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,0,0,0,1,0|1,0,2]=4 1145 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,0,0,0,1,0|1,0,2]=4 1146 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,0,0,0,1,0|1,0,2]=4 1147 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,0,0,0,1,0|1,0,2]=4 1148 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,0,0,0,1,0|1,0,2]=4 1149 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,0,0,0,1,0|1,0,2]=4 1150 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,0,0,0,1,0|0,0,2]=3 1151 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,0,0,0,1,0|0,0,2]=3 1152 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,0,0,0,1,0|0,0,2]=3 1153 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,0,0,0,1,0|0,0,2]=3 1154 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,0,0,0,1,0|0,0,2]=3 1155 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,0,0,0,1,0|1,0,1]=3 1156 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,0,0,0,1,0|1,0,1]=3 1157 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,0,0,0,1,0|0,0,1]=2 1158 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,0,0,0,1,0|0,0,1]=2 1159 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,0,0,0,1,0|0,0,1]=2 1160 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,0,0,0,1,0|0,0,1]=2 1161 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [0,0,0,0,1,0|1,0,1]=3 1162 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [0,0,0,0,1,0|1,0,1]=3 1163 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,0,0,0,1,0|1,0,2]=4 1164 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,0,0,0,1,0|1,0,2]=4 1165 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,0,0,0,1,0|0,0,3]=4 1166 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,0,0,0,1,0|0,0,3]=4 1167 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,0,0,0,1,0|0,0,3]=4 1168 B8R1.7 OB(O)C1=CCCC1 MCULE-9719215712 [0,0,0,0,1,0|1,0,1]=3 1169 B8R1.7 OB(O)C1=CCCO1 MCULE-7551054803 [0,0,0,0,1,0|2,0,1]=4 1170 B10R1.18 CC(=O)C=C1CCCCC1 MCULE-8551739363 [0,0,0,0,0,1|2,0,1]=4 1171 B10R1.18 CC(=O)CC1=CCCCC1 MCULE-7211325077 [0,0,0,0,0,1|2,0,0]=3 1172 B10R1.18 CC(=O)NC1CCCNC1 MCULE-2923451430 [0,0,0,0,0,1|1,0,2]=4 1173 B10R1.18 CC(=O)NC1CCCNC1 MCULE-7850537912 [0,0,0,0,0,1|1,0,2]=4 1174 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-3102769783 [0,0,0,0,0,1|1,0,2]=4 1175 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-4313494103 [0,0,0,0,0,1|1,0,2]=4 1176 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-1582624021 [0,0,0,0,0,1|1,0,2]=4 1177 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-7588247669 [0,0,0,0,0,1|1,0,2]=4 1178 B10R1.18 CC(=O)OC1CCCNC1 MCULE-1733458491 [0,0,0,0,0,1|1,0,2]=4 1179 B10R1.18 CC(=O)OC1CCCNC1 MCULE-4433179343 [0,0,0,0,0,1|1,0,2]=4 1180 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9261260462 [0,0,0,0,0,1|1,0,2]=4 1181 B10R1.18 NC(=O)CC1CCCNC1 MCULE-9756580933 [0,0,0,0,0,1|1,0,2]=4 1182 B10R1.18 NC(=O)CC1CNCCO1 MCULE-2394638010 [0,0,0,0,0,1|2,0,1]=4 1183 B10R1.18 NC(=O)NC1CCCNC1 MCULE-6949169935 [0,0,0,0,0,1|1,0,2]=4 1184 B10R1.18 NC(=O)NC1CCCNC1 MCULE-7043674090 [0,0,0,0,0,1|1,0,2]=4 1185 B10R1.18 O=C(Cl)C=C1CCCCC1 MCULE-2919809771 [0,0,0,0,0,1|2,0,1]=4 1186 B10R1.18 O=C(O)C=C1CCCCC1 MCULE-2830279446 [0,0,0,0,0,1|1,0,1]=3 1187 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-2946232230 [0,0,0,0,0,1|2,0,1]=4 1188 B10R1.18 O=C(O)C=C1CCNCC1 MCULE-9183556093 [0,0,0,0,0,1|2,0,1]=4 1189 B10R1.18 O=C(O)C=C1CCOCC1 MCULE-2596143817 [0,0,0,0,0,1|2,0,1]=4 1190 B10R1.18 O=C(O)C=C1CCSCC1 MCULE-3222993494 [0,0,0,0,0,1|2,0,1]=4 1191 B10R1.18 O=C(O)CC1=CCCCC1 MCULE-9909477927 [0,0,0,0,0,1|1,0,0]=2 1192 B10R1.18 O=C(O)CC1=CCOCC1 MCULE-9800538477 [0,0,0,0,0,1|2,0,0]=3 1193 B10R1.18 O=C(O)CC1C=CCCC1 MCULE-3207533436 [0,0,0,0,0,1|1,0,2]=4 1194 B10R1.18 O=C(O)CC1CCCCC1 MCULE-3370925166 [0,0,0,0,0,1|1,0,2]=4 1195 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7593127940 [0,0,0,0,0,1|2,0,1]=4 1196 B10R1.18 O=C(O)CC1CCCCN1 MCULE-7653711252 [0,0,0,0,0,1|2,0,1]=4 1197 B10R1.18 O=C(O)CC1CCCCO1 MCULE-2711682647 [0,0,0,0,0,1|2,0,1]=4 1198 B10R1.18 O=C(O)CC1CCCNC1 MCULE-3254470591 [0,0,0,0,0,1|0,0,2]=3 1199 B10R1.18 O=C(O)CC1CCCNC1 MCULE-7958803985 [0,0,0,0,0,1|0,0,2]=3 1200 B10R1.18 O=C(O)CC1CCCOC1 MCULE-5877605158 [0,0,0,0,0,1|1,0,2]=4 1201 B10R1.18 O=C(O)CC1CNCCN1 MCULE-5141588986 [0,0,0,0,0,1|1,0,1]=3 1202 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3058504133 [0,0,0,0,0,1|1,0,1]=3 1203 B10R1.18 O=C(O)CC1CNCCO1 MCULE-3387061328 [0,0,0,0,0,1|1,0,1]=3 1204 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4327756750 [0,0,0,0,0,1|1,0,1]=3 1205 B10R1.18 O=C(O)CC1CNCCO1 MCULE-4883251317 [0,0,0,0,0,1|1,0,1]=3 1206 B10R1.18 O=C(O)CC1COCCN1 MCULE-4486190659 [0,0,0,0,0,1|2,0,1]=4 1207 B10R1.18 O=C(O)CC1COCCN1 MCULE-8010316572 [0,0,0,0,0,1|2,0,1]=4 1208 B10R1.18 O=C(O)CC1COCCO1 MCULE-8632741098 [0,0,0,0,0,1|2,0,1]=4 1209 B10R1.18 O=C(O)CC1CSCCS1 MCULE-4793456872 [0,0,0,0,0,1|2,0,1]=4 1210 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9137136186 [0,0,0,0,0,1|2,0,1]=4 1211 B10R1.18 O=C(O)CN1CCCCC1 MCULE-9769416161 [0,0,0,0,0,1|2,0,1]=4 1212 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-3905830299 [0,0,0,0,0,1|2,0,1]=4 1213 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-5277218457 [0,0,0,0,0,1|2,0,1]=4 1214 B10R1.18 O=C(O)C[C@@H]1CCCCN1 MCULE-7510387772 [0,0,0,0,0,1|2,0,1]=4 1215 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-5325818659 [0,0,0,0,0,1|0,0,2]=3 1216 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-7001078313 [0,0,0,0,0,1|0,0,2]=3 1217 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-8120215253 [0,0,0,0,0,1|0,0,2]=3 1218 B10R1.18 O=C(O)C[C@@H]1CCCNC1 MCULE-9602652995 [0,0,0,0,0,1|0,0,2]=3 1219 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4498530905 [0,0,0,0,0,1|1,0,1]=3 1220 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-4549445854 [0,0,0,0,0,1|1,0,1]=3 1221 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-5055136882 [0,0,0,0,0,1|1,0,1]=3 1222 B10R1.18 O=C(O)C[C@@H]1CNCCO1 MCULE-7244079860 [0,0,0,0,0,1|1,0,1]=3 1223 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-2046760558 [0,0,0,0,0,1|2,0,1]=4 1224 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-4473145834 [0,0,0,0,0,1|2,0,1]=4 1225 B10R1.18 O=C(O)C[C@@H]1COCCN1 MCULE-5100169676 [0,0,0,0,0,1|2,0,1]=4 1226 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-3680996115 [0,0,0,0,0,1|2,0,1]=4 1227 B10R1.18 O=C(O)C[C@H]1CCCCN1 MCULE-4674662417 [0,0,0,0,0,1|2,0,1]=4 1228 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-1302740697 [0,0,0,0,0,1|0,0,2]=3 1229 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-2509529219 [0,0,0,0,0,1|0,0,2]=3 1230 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-3753473259 [0,0,0,0,0,1|0,0,2]=3 1231 B10R1.18 O=C(O)C[C@H]1CCCNC1 MCULE-9619904988 [0,0,0,0,0,1|0,0,2]=3 1232 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-1832902178 [0,0,0,0,0,1|1,0,1]=3 1233 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5015018730 [0,0,0,0,0,1|1,0,1]=3 1234 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-5838446318 [0,0,0,0,0,1|1,0,1]=3 1235 B10R1.18 O=C(O)C[C@H]1CNCCO1 MCULE-9119322865 [0,0,0,0,0,1|1,0,1]=3 1236 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-8571286067 [0,0,0,0,0,1|2,0,1]=4 1237 B10R1.18 O=C(O)C[C@H]1COCCN1 MCULE-9555376320 [0,0,0,0,0,1|2,0,1]=4 1238 B10R1.18 O=C(O)NC1CCCCC1 MCULE-5645794848 [0,0,0,0,0,1|1,0,2]=4 1239 B10R1.348 CC(=O)N1CCCNCC1 MCULE-1264485184 [0,0,0,0,0,1|2,0,1]=4 1240 B10R1.348 CC(=O)N1CCCNCC1 MCULE-8835178311 [0,0,0,0,0,1|2,0,1]=4 1241 B10R1.348 NC(=O)C1CCCCNC1 MCULE-6748059498 [0,0,0,0,0,1|1,0,2]=4 1242 B10R1.348 NC(=O)C1CCCCNC1 MCULE-8697140088 [0,0,0,0,0,1|1,0,2]=4 1243 B10R1.348 NC(=O)C1CNCCOC1 MCULE-3555049909 [0,0,0,0,0,1|1,0,2]=4 1244 B10R1.348 NC(=O)N1CCCNCC1 MCULE-1958255797 [0,0,0,0,0,1|2,0,1]=4 1245 B10R1.348 O=C(O)C1=CCCCCC1 MCULE-5438079704 [0,0,0,0,0,1|1,0,0]=2 1246 B10R1.348 O=C(O)C1=CCCOCC1 MCULE-6315041103 [0,0,0,0,0,1|1,0,0]=2 1247 B10R1.348 O=C(O)C1CCCCCC1 MCULE-7903672891 [0,0,0,0,0,1|1,0,2]=4 1248 B10R1.348 O=C(O)C1CCCCCN1 MCULE-2741684183 [0,0,0,0,0,1|1,0,2]=4 1249 B10R1.348 O=C(O)C1CCCCCN1 MCULE-7374703751 [0,0,0,0,0,1|1,0,2]=4 1250 B10R1.348 O=C(O)C1CCCCNC1 MCULE-3392190626 [0,0,0,0,0,1|0,0,2]=3 1251 B10R1.348 O=C(O)C1CCCCNC1 MCULE-7795043703 [0,0,0,0,0,1|0,0,2]=3 1252 B10R1.348 O=C(O)C1CCCNCC1 MCULE-7690110773 [0,0,0,0,0,1|0,0,2]=3 1253 B10R1.348 O=C(O)C1CCCNCC1 MCULE-9766781803 [0,0,0,0,0,1|0,0,2]=3 1254 B10R1.348 O=C(O)C1CCCOCC1 MCULE-9318516869 [0,0,0,0,0,1|1,0,2]=4 1255 B10R1.348 O=C(O)C1CNCCCN1 MCULE-3558230210 [0,0,0,0,0,1|0,0,2]=3 1256 B10R1.348 O=C(O)C1CNCCCN1 MCULE-6835715048 [0,0,0,0,0,1|0,0,2]=3 1257 B10R1.348 O=C(O)C1CNCCCO1 MCULE-2282415374 [0,0,0,0,0,1|0,0,2]=3 1258 B10R1.348 O=C(O)C1CNCCCO1 MCULE-3064687044 [0,0,0,0,0,1|0,0,2]=3 1259 B10R1.348 O=C(O)C1COCCOC1 MCULE-7686530449 [0,0,0,0,0,1|1,0,2]=4 1260 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2016813857 [0,0,0,0,0,1|1,0,2]=4 1261 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-2504826586 [0,0,0,0,0,1|1,0,2]=4 1262 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-4939523441 [0,0,0,0,0,1|1,0,2]=4 1263 B10R1.348 O=C(O)[C@@H]1CCCCCN1 MCULE-8497154031 [0,0,0,0,0,1|1,0,2]=4 1264 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-1709248067 [0,0,0,0,0,1|1,0,2]=4 1265 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4607599990 [0,0,0,0,0,1|1,0,2]=4 1266 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-4947785395 [0,0,0,0,0,1|1,0,2]=4 1267 B10R1.348 O=C(O)[C@H]1CCCCCN1 MCULE-8502245212 [0,0,0,0,0,1|1,0,2]=4 1268 B10R1.348 O=C(O)[C@H]1CCCNCC1 MCULE-2658567129 [0,0,0,0,0,1|0,0,2]=3 1269 B10R1.348 OB(O)C1=CCCCCC1 MCULE-5125205596 [0,0,0,0,0,1|2,0,1]=4 1270 B7R0.1 CCCC/C=C/C=O MCULE-1260131686 [1,0,1,0,0,0|1,0,0]=3 1271 B7R0.1 CCCC/C=C/CO MCULE-5404793542 [1,0,1,0,0,0|1,0,1]=4 1272 B7R0.1 CCCCC=CC=O MCULE-6776317009 [1,0,1,0,0,0|1,0,0]=3 1273 B7R0.1 CCCCC=CCO MCULE-7891403223 [1,0,1,0,0,0|1,0,1]=4 1274 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,0,1,0,0,0|0,0,2]=4 1275 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,0,1,0,0,0|0,0,2]=4 1276 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,0,1,0,0,0|0,0,0]=2 1277 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,0,1,0,0,0|0,0,2]=4 1278 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [1,0,1,0,0,0|0,0,2]=4 1279 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [1,0,1,0,0,0|0,0,2]=4 1280 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,0,1,0,0,0|0,0,2]=4 1281 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,0,1,0,0,0|0,0,1]=3 1282 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,0,1,0,0,0|0,0,1]=3 1283 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,0,1,0,0,0|1,0,1]=4 1284 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,0,1,0,0,0|1,0,1]=4 1285 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [1,0,1,0,0,0|0,0,2]=4 1286 B7R0.4 CCC/C=C/B(O)O MCULE-9613885434 [1,0,1,0,0,0|1,0,1]=4 1287 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,0,1,0,0,0|1,0,0]=3 1288 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,0,1,0,0,0|0,0,2]=4 1289 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,0,1,0,0,0|0,0,2]=4 1290 B7R0.4 CCCC=CB(O)O MCULE-4057687975 [1,0,1,0,0,0|1,0,1]=4 1291 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,0,1,0,0,0|1,0,0]=3 1292 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,0,1,0,0,0|1,0,0]=3 1293 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,0,1,0,0,0|0,0,0]=2 1294 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,0,1,0,0,0|0,0,2]=4 1295 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,0,1,0,0,0|1,0,1]=4 1296 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,0,1,0,0,0|1,0,1]=4 1297 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,0,1,0,0,0|0,0,1]=3 1298 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,0,1,0,0,0|0,0,1]=3 1299 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,0,1,0,0,0|1,0,1]=4 1300 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,0,1,0,0,0|1,0,1]=4 1301 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,0,1,0,0,0|1,0,1]=4 1302 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,0,1,0,0,0|1,0,1]=4 1303 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,0,1,0,0,0|0,0,1]=3 1304 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,0,1,0,0,0|0,0,1]=3 1305 B7R0.4 CCO/C=C/C(=O)Cl MCULE-5623807124 [1,0,1,0,0,0|2,0,0]=4 1306 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,0,1,0,0,0|1,0,0]=3 1307 B7R0.4 CCOC=CC(=O)Cl MCULE-1242349133 [1,0,1,0,0,0|2,0,0]=4 1308 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,0,1,0,0,0|1,0,0]=3 1309 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,0,1,0,0,0|1,0,1]=4 1310 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,0,1,0,0,0|1,0,1]=4 1311 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,0,1,0,0,0|1,0,1]=4 1312 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,0,1,0,0,0|1,0,1]=4 1313 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,0,1,0,0,0|0,0,1]=3 1314 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,0,1,0,0,0|0,0,1]=3 1315 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,0,1,0,0,0|2,0,0]=4 1316 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,0,1,0,0,0|2,0,0]=4 1317 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,0,1,0,0,0|2,0,0]=4 1318 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,0,1,0,0,0|2,0,0]=4 1319 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,0,1,0,0,0|1,0,0]=3 1320 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,0,1,0,0,0|1,0,0]=3 1321 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,0,1,0,0,0|1,0,1]=4 1322 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,0,1,0,0,0|1,0,0]=3 1323 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,0,1,0,0,0|1,0,1]=4 1324 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,0,1,0,0,0|0,0,2]=4 1325 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,0,1,0,0,0|0,0,2]=4 1326 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,0,1,0,0,0|0,0,2]=4 1327 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,0,1,0,0,0|0,0,2]=4 1328 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,0,1,0,0,0|1,0,0]=3 1329 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,0,1,0,0,0|1,0,0]=3 1330 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,0,1,0,0,0|1,0,1]=4 1331 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,0,1,0,0,0|1,0,1]=4 1332 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,0,1,0,0,0|1,0,1]=4 1333 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,0,1,0,0,0|1,0,1]=4 1334 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,0,1,0,0,0|1,0,1]=4 1335 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,0,1,0,0,0|1,0,1]=4 1336 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,0,1,0,0,0|1,0,1]=4 1337 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,0,1,0,0,0|1,0,1]=4 1338 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,0,1,0,0,0|1,0,0]=3 1339 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,0,1,0,0,0|2,0,0]=4 1340 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,0,1,0,0,0|2,0,0]=4 1341 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,0,1,0,0,0|2,0,0]=4 1342 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,0,1,0,0,0|2,0,0]=4 1343 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,0,1,0,0,0|2,0,0]=4 1344 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,0,1,0,0,0|2,0,0]=4 1345 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [1,0,1,0,0,0|1,0,0]=3 1346 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [1,0,1,0,0,0|2,0,0]=4 1347 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [1,0,1,0,0,0|2,0,0]=4 1348 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [1,0,1,0,0,0|2,0,0]=4 1349 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [1,0,1,0,0,0|0,0,0]=2 1350 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [1,0,1,0,0,0|1,0,0]=3 1351 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [1,0,1,0,0,0|1,0,0]=3 1352 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [1,0,1,0,0,0|0,0,2]=4 1353 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [1,0,1,0,0,0|2,0,0]=4 1354 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [1,0,1,0,0,0|2,0,0]=4 1355 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [1,0,1,0,0,0|0,0,1]=3 1356 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [1,0,1,0,0,0|0,0,1]=3 1357 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [1,0,1,0,0,0|1,0,1]=4 1358 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [1,0,1,0,0,0|0,0,0]=2 1359 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [1,0,1,0,0,0|0,0,2]=4 1360 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [1,0,1,0,0,0|0,0,0]=2 1361 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [1,0,1,0,0,0|1,0,0]=3 1362 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [1,0,1,0,0,0|2,0,0]=4 1363 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [1,0,1,0,0,0|2,0,0]=4 1364 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [1,0,1,0,0,0|1,0,0]=3 1365 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [1,0,1,0,0,0|1,0,1]=4 1366 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [1,0,1,0,0,0|0,0,2]=4 1367 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [1,0,1,0,0,0|1,0,1]=4 1368 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [1,0,1,0,0,0|1,0,1]=4 1369 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [1,0,1,0,0,0|0,0,2]=4 1370 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [1,0,1,0,0,0|0,0,2]=4 1371 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [1,0,1,0,0,0|0,0,2]=4 1372 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [1,0,1,0,0,0|1,0,1]=4 1373 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [1,0,1,0,0,0|1,0,1]=4 1374 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [1,0,1,0,0,0|0,0,2]=4 1375 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [1,0,1,0,0,0|0,0,2]=4 1376 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [1,0,1,0,0,0|1,0,1]=4 1377 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [1,0,1,0,0,0|1,0,1]=4 1378 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [1,0,1,0,0,0|0,0,2]=4 1379 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [1,0,1,0,0,0|0,0,2]=4 1380 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [1,0,1,0,0,0|0,0,2]=4 1381 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [1,0,1,0,0,0|1,0,1]=4 1382 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [1,0,1,0,0,0|1,0,1]=4 1383 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [1,0,1,0,0,0|1,0,0]=3 1384 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [1,0,1,0,0,0|0,0,2]=4 1385 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [1,0,1,0,0,0|0,0,2]=4 1386 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [1,0,1,0,0,0|0,0,2]=4 1387 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [1,0,1,0,0,0|2,0,0]=4 1388 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [1,0,1,0,0,0|1,0,1]=4 1389 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [1,0,1,0,0,0|1,0,1]=4 1390 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [1,0,1,0,0,0|0,0,1]=3 1391 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [1,0,1,0,0,0|0,0,1]=3 1392 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [1,0,1,0,0,0|1,0,1]=4 1393 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [1,0,1,0,0,0|1,0,1]=4 1394 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [1,0,1,0,0,0|1,0,1]=4 1395 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [1,0,1,0,0,0|1,0,1]=4 1396 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [1,0,1,0,0,0|1,0,1]=4 1397 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [1,0,1,0,0,0|1,0,1]=4 1398 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [1,0,1,0,0,0|1,0,1]=4 1399 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [1,0,1,0,0,0|2,0,0]=4 1400 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [1,0,1,0,0,0|1,0,1]=4 1401 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [1,0,1,0,0,0|1,0,1]=4 1402 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [1,0,1,0,0,0|1,0,1]=4 1403 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [1,0,1,0,0,0|1,0,1]=4 1404 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [1,0,1,0,0,0|1,0,1]=4 1405 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [1,0,1,0,0,0|1,0,1]=4 1406 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [1,0,1,0,0,0|1,0,1]=4 1407 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [1,0,1,0,0,0|1,0,1]=4 1408 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [1,0,1,0,0,0|1,0,1]=4 1409 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [1,0,1,0,0,0|1,0,1]=4 1410 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [1,0,1,0,0,0|1,0,1]=4 1411 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [1,0,1,0,0,0|1,0,1]=4 1412 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [1,0,1,0,0,0|1,0,1]=4 1413 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [1,0,1,0,0,0|1,0,1]=4 1414 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [1,0,1,0,0,0|1,0,1]=4 1415 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [1,0,1,0,0,0|1,0,1]=4 1416 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [1,0,1,0,0,0|1,0,1]=4 1417 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [1,0,1,0,0,0|1,0,1]=4 1418 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [1,0,1,0,0,0|1,0,1]=4 1419 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [1,0,1,0,0,0|1,0,1]=4 1420 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [1,0,1,0,0,0|1,0,1]=4 1421 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [1,0,1,0,0,0|1,0,1]=4 1422 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [1,0,1,0,0,0|1,0,1]=4 1423 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [1,0,1,0,0,0|1,0,1]=4 1424 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [1,0,1,0,0,0|1,0,1]=4 1425 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [1,0,1,0,0,0|1,0,1]=4 1426 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [1,0,1,0,0,0|1,0,1]=4 1427 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [1,0,1,0,0,0|1,0,1]=4 1428 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [1,0,1,0,0,0|1,0,1]=4 1429 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [1,0,1,0,0,0|0,0,2]=4 1430 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [1,0,1,0,0,0|0,0,2]=4 1431 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [1,0,1,0,0,0|0,0,0]=2 1432 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [1,0,1,0,0,0|0,0,2]=4 1433 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [1,0,1,0,0,0|0,0,1]=3 1434 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [1,0,1,0,0,0|0,0,1]=3 1435 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [1,0,1,0,0,0|1,0,1]=4 1436 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [1,0,1,0,0,0|0,0,2]=4 1437 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [1,0,1,0,0,0|0,0,2]=4 1438 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [1,0,1,0,0,0|1,0,1]=4 1439 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [1,0,1,0,0,0|1,0,1]=4 1440 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [1,0,1,0,0,0|1,0,1]=4 1441 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [1,0,1,0,0,0|0,0,1]=3 1442 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [1,0,1,0,0,0|0,0,1]=3 1443 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [1,0,1,0,0,0|0,0,1]=3 1444 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [1,0,1,0,0,0|0,0,1]=3 1445 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [1,0,1,0,0,0|0,0,1]=3 1446 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [1,0,1,0,0,0|1,0,1]=4 1447 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [1,0,1,0,0,0|1,0,1]=4 1448 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [1,0,1,0,0,0|1,0,1]=4 1449 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [1,0,1,0,0,0|1,0,1]=4 1450 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [1,0,1,0,0,0|1,0,1]=4 1451 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [1,0,1,0,0,0|1,0,1]=4 1452 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [1,0,1,0,0,0|1,0,1]=4 1453 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [1,0,1,0,0,0|1,0,1]=4 1454 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [1,0,1,0,0,0|1,0,1]=4 1455 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [1,0,1,0,0,0|1,0,1]=4 1456 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [1,0,1,0,0,0|1,0,1]=4 1457 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [1,0,1,0,0,0|1,0,1]=4 1458 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [2,0,0,0,0,0|2,0,0]=4 1459 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [2,0,0,0,0,0|1,0,0]=3 1460 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [2,0,0,0,0,0|1,0,0]=3 1461 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [2,0,0,0,0,0|0,0,2]=4 1462 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [2,0,0,0,0,0|0,0,2]=4 1463 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [2,0,0,0,0,0|1,0,1]=4 1464 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [2,0,0,0,0,0|2,0,0]=4 1465 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [2,0,0,0,0,0|0,0,1]=3 1466 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [2,0,0,0,0,0|0,0,1]=3 1467 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [2,0,0,0,0,0|1,0,1]=4 1468 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [2,0,0,0,0,0|1,0,1]=4 1469 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [2,0,0,0,0,0|0,0,1]=3 1470 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [2,0,0,0,0,0|0,0,1]=3 1471 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [2,0,0,0,0,0|1,0,1]=4 1472 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [2,0,0,0,0,0|2,0,0]=4 1473 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [2,0,0,0,0,0|1,0,0]=3 1474 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [2,0,0,0,0,0|1,0,0]=3 1475 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [2,0,0,0,0,0|1,0,0]=3 1476 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [2,0,0,0,0,0|1,0,0]=3 1477 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [2,0,0,0,0,0|1,0,1]=4 1478 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [2,0,0,0,0,0|1,0,1]=4 1479 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [2,0,0,0,0,0|1,0,1]=4 1480 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [2,0,0,0,0,0|2,0,0]=4 1481 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [2,0,0,0,0,0|2,0,0]=4 1482 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [2,0,0,0,0,0|2,0,0]=4 1483 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [2,0,0,0,0,0|0,0,1]=3 1484 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [2,0,0,0,0,0|0,0,1]=3 1485 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [2,0,0,0,0,0|1,0,1]=4 1486 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [2,0,0,0,0,0|1,0,1]=4 1487 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [2,0,0,0,0,0|1,0,0]=3 1488 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [2,0,0,0,0,0|1,0,0]=3 1489 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [2,0,0,0,0,0|1,0,0]=3 1490 B7R1.3 O=C1COCCN1 MCULE-8242898041 [2,0,0,0,0,0|2,0,0]=4 1491 B7R1.3 O=C1COCCO1 MCULE-5754504096 [2,0,0,0,0,0|2,0,0]=4 1492 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [2,0,0,0,0,0|2,0,0]=4 1493 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [2,0,0,0,0,0|2,0,0]=4 1494 B7R1.3 OC1C=CCNC1 MCULE-1616136732 [2,0,0,0,0,0|0,0,2]=4 1495 B7R1.3 OC1C=CCNC1 MCULE-6073391464 [2,0,0,0,0,0|0,0,2]=4 1496 B7R1.3 OC1CCCNC1 MCULE-4557845355 [2,0,0,0,0,0|0,0,2]=4 1497 B7R1.3 OC1CCCNC1 MCULE-6040312691 [2,0,0,0,0,0|0,0,2]=4 1498 B7R1.3 OC1CNCCO1 MCULE-7048275202 [2,0,0,0,0,0|1,0,1]=4 1499 B7R1.3 OC1CNCCO1 MCULE-9716087824 [2,0,0,0,0,0|1,0,1]=4 1500 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [2,0,0,0,0,0|0,0,2]=4 1501 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [2,0,0,0,0,0|0,0,2]=4 1502 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [2,0,0,0,0,0|0,0,2]=4 1503 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [2,0,0,0,0,0|0,0,2]=4 1504 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [2,0,0,0,0,0|0,0,2]=4 1505 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [2,0,0,0,0,0|0,0,2]=4 1506 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [2,0,0,0,0,0|0,0,2]=4 1507 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [2,0,0,0,0,0|0,0,2]=4 1508 B9R0.2 C=CCCCCCC(=O)O MCULE-6571932731 [0,1,1,0,0,0|1,0,1]=4 1509 B9R0.2 CCC/C=C/C=C/C(=O)O MCULE-7747589239 [0,1,1,0,0,0|1,0,1]=4 1510 B9R0.2 CCCC/C=C/CC(=O)O MCULE-3008379579 [0,1,1,0,0,0|1,0,0]=3 1511 B9R0.2 CCCC=CC=CC(=O)O MCULE-5198543935 [0,1,1,0,0,0|1,0,1]=4 1512 B9R0.2 CCCCC/C=C/C(=O)C MCULE-4810438787 [0,1,1,0,0,0|2,0,0]=4 1513 B9R0.2 CCCCC/C=C/C(=O)O MCULE-5661205729 [0,1,1,0,0,0|1,0,0]=3 1514 B9R0.2 CCCCC=CCC(=O)N MCULE-7054762763 [0,1,1,0,0,0|2,0,0]=4 1515 B9R0.2 CCCCC=CCC(=O)O MCULE-1531958630 [0,1,1,0,0,0|1,0,0]=3 1516 B9R0.2 CCCCCC=CC(=O)C MCULE-2447853309 [0,1,1,0,0,0|2,0,0]=4 1517 B9R0.2 CCCCCC=CC(=O)O MCULE-6969617806 [0,1,1,0,0,0|1,0,0]=3 1518 B9R0.2 CCNCCCCC(=O)O MCULE-1386195341 [0,1,1,0,0,0|0,0,2]=4 1519 B9R0.2 CCNCCCCC(=O)O MCULE-1922836400 [0,1,1,0,0,0|0,0,2]=4 1520 B9R0.2 CNCCCCCC(=O)O MCULE-8016435275 [0,1,1,0,0,0|0,0,2]=4 1521 B9R0.2 CNCCOCCC(=O)O MCULE-6581967922 [0,1,1,0,0,0|0,0,2]=4 1522 B9R0.2 COCCNCCC(=O)O MCULE-3571993123 [0,1,1,0,0,0|0,0,2]=4 1523 B9R0.2 N#CCCNCCC(=O)O MCULE-5749626028 [0,1,1,0,0,0|0,0,2]=4 1524 B9R0.2 O=C(O)CCCNCCO MCULE-8202070706 [0,1,1,0,0,0|1,0,1]=4 1525 B9R0.2 O=CCCCCCC(=O)O MCULE-1442157793 [0,1,1,0,0,0|1,0,1]=4 1526 B9R0.4 C=CCCC(=CC(=O)O)C MCULE-7109579460 [0,1,1,0,0,0|1,0,1]=4 1527 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,1,1,0,0,0|1,0,1]=4 1528 B9R0.46 C=CCNCCC(=O)OC MCULE-2549759040 [0,1,1,0,0,0|0,0,2]=4 1529 B9R0.46 CCCCC=CC(=O)OC MCULE-3507079471 [0,1,1,0,0,0|1,0,0]=3 1530 B9R0.46 CCCNCCC(=O)OC MCULE-4786941347 [0,1,1,0,0,0|0,0,2]=4 1531 B9R0.46 CNCCCCC(=O)OC MCULE-3479794664 [0,1,1,0,0,0|0,0,2]=4 1532 B9R0.46 CNCCCCC(=O)OC MCULE-3875784281 [0,1,1,0,0,0|0,0,2]=4 1533 B9R0.46 COC(=O)CCNCCO MCULE-8673898296 [0,1,1,0,0,0|1,0,1]=4 1534 B9R0.46 COC(=O)CCNCCO MCULE-9372452891 [0,1,1,0,0,0|1,0,1]=4 1535 B9R0.47 CCCCCC(=O)C(=O)O MCULE-2334480456 [0,1,1,0,0,0|1,0,1]=4 1536 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,1,1,0,0,0|0,0,2]=4 1537 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,1,1,0,0,0|0,0,2]=4 1538 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,1,1,0,0,0|1,0,1]=4 1539 B9R0.55 CC(C)CNCCC(=O)O MCULE-7021054047 [0,1,1,0,0,0|0,0,2]=4 1540 B9R0.55 CC(C)CNCCC(=O)O MCULE-7640501484 [0,1,1,0,0,0|0,0,2]=4 1541 B9R0.55 CN(C)CCCCC(=O)O MCULE-9080305665 [0,1,1,0,0,0|0,0,2]=4 1542 B9R0.55 CN(C)CCCCC(=O)O MCULE-9325797900 [0,1,1,0,0,0|0,0,2]=4 1543 B9R0.55 CN(C)CCNCC(=O)O MCULE-6551648059 [0,1,1,0,0,0|1,0,1]=4 1544 B9R0.55 CN(C)CCNCC(=O)O MCULE-7040720736 [0,1,1,0,0,0|1,0,1]=4 1545 B9R0.55 CN(C)CCOCC(=O)O MCULE-6117066964 [0,1,1,0,0,0|1,0,1]=4 1546 B9R0.55 CN(C)CCSCC(=O)O MCULE-5970767298 [0,1,1,0,0,0|1,0,1]=4 1547 B9R0.55 CN(C)CCSCC(=O)O MCULE-6364036095 [0,1,1,0,0,0|1,0,1]=4 1548 B9R0.55 O=C(O)/C=C/CCC(=O)O MCULE-8825957011 [0,1,1,0,0,0|2,0,0]=4 1549 B9R0.55 O=C(O)C=CCCC(=O)O MCULE-7591781771 [0,1,1,0,0,0|2,0,0]=4 1550 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-3833333239 [0,1,1,0,0,0|2,0,0]=4 1551 B9R0.7 C=C(CCN(C)C)C(=O)O MCULE-5949669555 [0,1,1,0,0,0|2,0,0]=4 1552 B9R0.8 CCNCC(C)C(=O)OC MCULE-6455791716 [0,1,1,0,0,0|0,0,2]=4 1553 B9R0.8 COC(=O)N(C)CCCN MCULE-4167608498 [0,1,1,0,0,0|1,0,1]=4 1554 B9R0.13 CCCC=C(C#N)C(=O)O MCULE-9407639881 [0,1,1,0,0,0|1,0,1]=4 1555 B9R0.13 CCCC=C(CC)C(=O)O MCULE-2193027210 [0,1,1,0,0,0|1,0,0]=3 1556 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-3425842174 [0,1,1,0,0,0|0,0,2]=4 1557 B9R0.13 CN[C@@H](CCCN)C(=O)O MCULE-5957010617 [0,1,1,0,0,0|0,0,2]=4 1558 B9R0.42 C=C(CC(=O)NC)C(=O)O MCULE-5432016245 [0,1,1,0,0,0|2,0,0]=4 1559 B9R0.42 C=C(CC(=O)OC)C(=O)O MCULE-1728748664 [0,1,1,0,0,0|2,0,0]=4 1560 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,1,0,0,0|0,0,2]=4 1561 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,1,0,0,0|0,0,2]=4 1562 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-3848172930 [0,1,1,0,0,0|0,0,2]=4 1563 B9R0.51 CC(N)(CCCN)C(=O)O MCULE-8569683447 [0,1,1,0,0,0|0,0,2]=4 1564 B9R0.15 CCC=C(CCC)C(=O)O MCULE-6379126755 [0,1,1,0,0,0|1,0,0]=3 1565 B9R0.39 CC(C)/C=C(\C#N)/C(=O)O MCULE-4512744992 [0,1,1,0,0,0|0,0,2]=4 1566 B9R0.39 CC(C)C=C(C#N)C(=O)O MCULE-6303839600 [0,1,1,0,0,0|0,0,2]=4 1567 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-3679366313 [0,1,1,0,0,0|0,0,2]=4 1568 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-4357118038 [0,1,1,0,0,0|0,0,2]=4 1569 B9R0.39 CC(C)CC(CN)C(=O)O MCULE-5464779902 [0,1,1,0,0,0|0,0,2]=4 1570 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-1199418849 [0,1,1,0,0,0|0,0,2]=4 1571 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-2007636867 [0,1,1,0,0,0|0,0,2]=4 1572 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-3151357434 [0,1,1,0,0,0|0,0,2]=4 1573 B9R0.39 CC(C)C[C@@H](CN)C(=O)O MCULE-6826376648 [0,1,1,0,0,0|0,0,2]=4 1574 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-1897946062 [0,1,1,0,0,0|0,0,2]=4 1575 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5204739284 [0,1,1,0,0,0|0,0,2]=4 1576 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-5587093761 [0,1,1,0,0,0|0,0,2]=4 1577 B9R0.39 CC(C)C[C@H](CN)C(=O)O MCULE-6247275234 [0,1,1,0,0,0|0,0,2]=4 1578 B9R0.39 CC=C(CC(=O)O)C(=O)O MCULE-9255608800 [0,1,1,0,0,0|2,0,0]=4 1579 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [1,1,0,0,0,0|1,0,0]=3 1580 B9R1.2 CN1CCC=C(C1)CO MCULE-2390066477 [1,1,0,0,0,0|0,0,1]=3 1581 B9R1.2 CN1CCCC(C1)C=O MCULE-8355946906 [1,1,0,0,0,0|0,0,2]=4 1582 B9R1.2 COC1=CCCN(C1)C MCULE-3720745159 [1,1,0,0,0,0|2,0,0]=4 1583 B9R1.8 O=CCC1CNCCO1 MCULE-6857081335 [1,1,0,0,0,0|1,0,1]=4 1584 B9R1.8 O=CCC1CNCCO1 MCULE-8149272613 [1,1,0,0,0,0|1,0,1]=4 1585 B9R1.8 O=CNC1=CCCCC1 MCULE-2003809797 [1,1,0,0,0,0|1,0,0]=3 1586 B9R1.8 OCC=C1CCCCC1 MCULE-1575946847 [1,1,0,0,0,0|1,0,1]=4 1587 B9R1.8 OCCC1=CCCCC1 MCULE-5341389843 [1,1,0,0,0,0|1,0,1]=4 1588 B9R1.15 CC1=C(CCCC1)CO MCULE-8750813787 [1,1,0,0,0,0|1,0,1]=4 1589 B9R1.15 N#CC1=C(CCNC1)N MCULE-2886905182 [1,1,0,0,0,0|1,0,1]=4 1590 B9R1.15 O=CC1=C(CCCC1)Br MCULE-6173586592 [1,1,0,0,0,0|1,0,0]=3 1591 B9R1.15 O=CC1=C(CCCC1)Cl MCULE-7995365701 [1,1,0,0,0,0|1,0,0]=3 1592 B9R1.15 O=CC1CCCCC1=O MCULE-3775698507 [1,1,0,0,0,0|1,0,1]=4 1593 B9R1.15 OCC1=C(CCCC1)Br MCULE-6936960603 [1,1,0,0,0,0|1,0,1]=4 1594 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [0,1,0,0,1,0|0,0,1]=3 1595 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [0,1,0,0,1,0|0,0,1]=3 1596 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [0,1,0,0,1,0|0,0,1]=3 1597 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [0,1,0,0,1,0|1,0,1]=4 1598 B9R1.11 CCC(=O)C1=NCCC1 MCULE-4283707985 [0,1,0,0,1,0|2,0,0]=4 1599 B9R1.11 CCC(=O)N1CCNC1 MCULE-8872332598 [0,1,0,0,1,0|2,0,0]=4 1600 B9R1.11 CNC(=O)C1CCNC1 MCULE-2945338804 [0,1,0,0,1,0|1,0,1]=4 1601 B9R1.11 CNC(=O)C1CCNC1 MCULE-8215086073 [0,1,0,0,1,0|1,0,1]=4 1602 B9R1.11 COC(=O)C1=CC=CN1 MCULE-1019290603 [0,1,0,0,1,0|0,0,2]=4 1603 B9R1.11 COC(=O)C1=CCCC1 MCULE-3606282792 [0,1,0,0,1,0|0,0,0]=2 1604 B9R1.11 COC(=O)C1=CCSC1 MCULE-2255227686 [0,1,0,0,1,0|1,0,0]=3 1605 B9R1.11 COC(=O)C1=CN=CN1 MCULE-3275771291 [0,1,0,0,1,0|1,0,1]=4 1606 B9R1.11 COC(=O)C1=CN=CN1 MCULE-8084262259 [0,1,0,0,1,0|1,0,1]=4 1607 B9R1.11 COC(=O)C1=CNC=C1 MCULE-2322635433 [0,1,0,0,1,0|0,0,2]=4 1608 B9R1.11 COC(=O)C1=CNN=C1 MCULE-6521983972 [0,1,0,0,1,0|1,0,1]=4 1609 B9R1.11 COC(=O)C1=CNN=C1 MCULE-6524491075 [0,1,0,0,1,0|1,0,1]=4 1610 B9R1.11 COC(=O)C1=COCC1 MCULE-7180516511 [0,1,0,0,1,0|1,0,0]=3 1611 B9R1.11 COC(=O)C1=NNC=C1 MCULE-7995555155 [0,1,0,0,1,0|1,0,1]=4 1612 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [0,1,0,0,1,0|0,0,2]=4 1613 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [0,1,0,0,1,0|0,0,2]=4 1614 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [0,1,0,0,1,0|0,0,2]=4 1615 B9R1.11 COC(=O)C1CCCN1 MCULE-3132842932 [0,1,0,0,1,0|0,0,2]=4 1616 B9R1.11 COC(=O)C1CCCN1 MCULE-5268897425 [0,1,0,0,1,0|0,0,2]=4 1617 B9R1.11 COC(=O)C1CCCN1 MCULE-6168730709 [0,1,0,0,1,0|0,0,2]=4 1618 B9R1.11 COC(=O)C1CCCN1 MCULE-8316785654 [0,1,0,0,1,0|0,0,2]=4 1619 B9R1.11 COC(=O)C1CCCO1 MCULE-2538391455 [0,1,0,0,1,0|1,0,1]=4 1620 B9R1.11 COC(=O)C1CCCS1 MCULE-8875125328 [0,1,0,0,1,0|1,0,1]=4 1621 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [0,1,0,0,1,0|0,0,1]=3 1622 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [0,1,0,0,1,0|0,0,1]=3 1623 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [0,1,0,0,1,0|0,0,1]=3 1624 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [0,1,0,0,1,0|1,0,1]=4 1625 B9R1.11 COC(=O)C1NCCS1 MCULE-8142325663 [0,1,0,0,1,0|1,0,1]=4 1626 B9R1.11 COC(=O)N1CCCC1 MCULE-1240116216 [0,1,0,0,1,0|1,0,1]=4 1627 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [0,1,0,0,1,0|0,0,2]=4 1628 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [0,1,0,0,1,0|0,0,2]=4 1629 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [0,1,0,0,1,0|0,0,2]=4 1630 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [0,1,0,0,1,0|0,0,2]=4 1631 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-1981658590 [0,1,0,0,1,0|0,0,2]=4 1632 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-6907716746 [0,1,0,0,1,0|0,0,2]=4 1633 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-8031793722 [0,1,0,0,1,0|0,0,2]=4 1634 B9R1.11 COC(=O)[C@@H]1CCCN1 MCULE-9787777328 [0,1,0,0,1,0|0,0,2]=4 1635 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [0,1,0,0,1,0|0,0,1]=3 1636 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [0,1,0,0,1,0|0,0,1]=3 1637 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [0,1,0,0,1,0|0,0,1]=3 1638 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [0,1,0,0,1,0|0,0,1]=3 1639 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [0,1,0,0,1,0|0,0,1]=3 1640 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [0,1,0,0,1,0|0,0,1]=3 1641 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [0,1,0,0,1,0|1,0,1]=4 1642 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [0,1,0,0,1,0|1,0,1]=4 1643 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-1925865650 [0,1,0,0,1,0|0,0,2]=4 1644 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-3950222089 [0,1,0,0,1,0|0,0,2]=4 1645 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-4251030243 [0,1,0,0,1,0|0,0,2]=4 1646 B9R1.11 COC(=O)[C@H]1CCCN1 MCULE-8974101732 [0,1,0,0,1,0|0,0,2]=4 1647 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [0,1,0,0,1,0|0,0,1]=3 1648 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [0,1,0,0,1,0|0,0,1]=3 1649 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [0,1,0,0,1,0|0,0,1]=3 1650 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [0,1,0,0,1,0|0,0,1]=3 1651 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [0,1,0,0,1,0|0,0,1]=3 1652 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [0,1,0,0,1,0|0,0,1]=3 1653 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [0,1,0,0,1,0|1,0,1]=4 1654 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [0,1,0,0,1,0|1,0,1]=4 1655 B9R1.11 O=C(CO)N1CCCC1 MCULE-6227389604 [0,1,0,0,1,0|1,0,1]=4 1656 B9R1.11 O=C(NO)C1=CCCC1 MCULE-3789818826 [0,1,0,0,1,0|0,0,0]=2 1657 B9R1.11 O=C(NO)C1CCCC1 MCULE-3511706426 [0,1,0,0,1,0|0,0,2]=4 1658 B9R1.19 O=S(=O)(O)C1=NCCN1 MCULE-9040234616 [0,1,0,0,1,0|2,0,0]=4 1659 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,1,0,0,1,0|1,0,1]=4 1660 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,1,0,0,1,0|0,0,1]=3 1661 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,1,0,0,1,0|0,0,1]=3 1662 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,1,0,0,1,0|1,0,1]=4 1663 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,1,0,0,1,0|1,0,1]=4 1664 B9R1.35 CC1=CC(=CN1)C(=O)O MCULE-4982775315 [0,1,0,0,1,0|0,0,2]=4 1665 B9R1.35 CC1=CC=C(N1)C(=O)O MCULE-6987274204 [0,1,0,0,1,0|0,0,2]=4 1666 B9R1.35 CC1=CNC(=C1)C(=O)O MCULE-7059587168 [0,1,0,0,1,0|0,0,2]=4 1667 B9R1.35 CC1=NNC(=C1)C(=O)O MCULE-9971793748 [0,1,0,0,1,0|1,0,1]=4 1668 B9R1.35 CC1CC(=NO1)C(=O)O MCULE-8733803647 [0,1,0,0,1,0|2,0,0]=4 1669 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,1,0,0,1,0|1,0,1]=4 1670 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,1,0,0,1,0|0,0,2]=4 1671 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,1,0,0,1,0|0,0,2]=4 1672 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,1,0,0,1,0|0,0,2]=4 1673 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,1,0,0,1,0|1,0,1]=4 1674 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,1,0,0,1,0|0,0,2]=4 1675 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,1,0,0,1,0|0,0,2]=4 1676 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,1,0,0,1,0|1,0,1]=4 1677 B9R1.35 CN1C=C(C=N1)C(=O)O MCULE-4399518565 [0,1,0,0,1,0|1,0,1]=4 1678 B9R1.35 CN1C=CC(=C1)C(=O)O MCULE-1624976508 [0,1,0,0,1,0|0,0,2]=4 1679 B9R1.35 CN1C=CC(=N1)C(=O)O MCULE-3162926527 [0,1,0,0,1,0|1,0,1]=4 1680 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,1,0,0,1,0|0,0,1]=3 1681 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,1,0,0,1,0|0,0,1]=3 1682 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,1,0,0,1,0|0,0,1]=3 1683 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,1,0,0,1,0|0,0,1]=3 1684 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,1,0,0,1,0|0,0,1]=3 1685 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,1,0,0,1,0|0,0,1]=3 1686 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,1,0,0,1,0|0,0,1]=3 1687 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,1,0,0,1,0|0,0,1]=3 1688 B9R1.35 CN1N=CC(=N1)C(=O)O MCULE-8939192853 [0,1,0,0,1,0|2,0,0]=4 1689 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,1,0,0,1,0|0,0,2]=4 1690 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,1,0,0,1,0|0,0,2]=4 1691 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,1,0,0,1,0|1,0,1]=4 1692 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,1,0,0,1,0|1,0,1]=4 1693 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,1,0,0,1,0|0,0,2]=4 1694 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,1,0,0,1,0|0,0,2]=4 1695 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,1,0,0,1,0|0,0,2]=4 1696 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,1,0,0,1,0|0,0,2]=4 1697 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,1,0,0,1,0|0,0,2]=4 1698 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,1,0,0,1,0|0,0,2]=4 1699 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,1,0,0,1,0|0,0,2]=4 1700 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,1,0,0,1,0|0,0,2]=4 1701 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,1,0,0,1,0|0,0,2]=4 1702 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,1,0,0,1,0|0,0,2]=4 1703 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,1,0,0,1,0|0,0,2]=4 1704 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,1,0,0,1,0|0,0,2]=4 1705 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,1,0,0,1,0|0,0,2]=4 1706 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,1,0,0,1,0|0,0,2]=4 1707 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,1,0,0,1,0|0,0,2]=4 1708 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,1,0,0,1,0|0,0,2]=4 1709 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,1,0,0,1,0|0,0,2]=4 1710 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,1,0,0,1,0|0,0,2]=4 1711 B9R1.35 NC1=CC(=NN1)C(=O)O MCULE-9614770025 [0,1,0,0,1,0|1,0,1]=4 1712 B9R1.35 NC1=CC=C(N1)C(=O)O MCULE-5208029782 [0,1,0,0,1,0|0,0,2]=4 1713 B9R1.35 NC1=CNC(=C1)C(=O)O MCULE-5415250073 [0,1,0,0,1,0|0,0,2]=4 1714 B9R1.35 NC1=NNC(=C1)C(=O)O MCULE-3685279381 [0,1,0,0,1,0|1,0,1]=4 1715 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-7513224290 [0,1,0,0,1,0|0,0,2]=4 1716 B9R1.35 NC1C=CC(C1)C(=O)O MCULE-8369262706 [0,1,0,0,1,0|0,0,2]=4 1717 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,1,0,0,1,0|0,0,0]=2 1718 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,1,0,0,1,0|0,0,0]=2 1719 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,1,0,0,1,0|0,0,2]=4 1720 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,1,0,0,1,0|0,0,2]=4 1721 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,1,0,0,1,0|0,0,2]=4 1722 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,1,0,0,1,0|0,0,2]=4 1723 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-2058033578 [0,1,0,0,1,0|0,0,2]=4 1724 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-3535904120 [0,1,0,0,1,0|0,0,2]=4 1725 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-7864688668 [0,1,0,0,1,0|0,0,2]=4 1726 B9R1.35 N[C@@H]1C=C[C@@H](C1)C(=O)O MCULE-9488093105 [0,1,0,0,1,0|0,0,2]=4 1727 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,1,0,0,1,0|0,0,2]=4 1728 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,1,0,0,1,0|0,0,2]=4 1729 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,1,0,0,1,0|0,0,2]=4 1730 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,1,0,0,1,0|0,0,2]=4 1731 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,1,0,0,1,0|0,0,2]=4 1732 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,1,0,0,1,0|0,0,2]=4 1733 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,1,0,0,1,0|0,0,2]=4 1734 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,1,0,0,1,0|0,0,2]=4 1735 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,1,0,0,1,0|0,0,2]=4 1736 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,1,0,0,1,0|0,0,2]=4 1737 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,1,0,0,1,0|0,0,2]=4 1738 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,1,0,0,1,0|0,0,2]=4 1739 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,1,0,0,1,0|0,0,2]=4 1740 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,1,0,0,1,0|0,0,2]=4 1741 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,1,0,0,1,0|0,0,2]=4 1742 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,1,0,0,1,0|0,0,2]=4 1743 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-1866924065 [0,1,0,0,1,0|0,0,2]=4 1744 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-5420586850 [0,1,0,0,1,0|0,0,2]=4 1745 B9R1.35 N[C@H]1C=C[C@@H](C1)C(=O)O MCULE-6933168017 [0,1,0,0,1,0|0,0,2]=4 1746 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-1923367161 [0,1,0,0,1,0|0,0,2]=4 1747 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2558762790 [0,1,0,0,1,0|0,0,2]=4 1748 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-2767032719 [0,1,0,0,1,0|0,0,2]=4 1749 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-3230012761 [0,1,0,0,1,0|0,0,2]=4 1750 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-5898455500 [0,1,0,0,1,0|0,0,2]=4 1751 B9R1.35 N[C@H]1C=C[C@H](C1)C(=O)O MCULE-8841082803 [0,1,0,0,1,0|0,0,2]=4 1752 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,1,0,0,1,0|0,0,2]=4 1753 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,1,0,0,1,0|0,0,2]=4 1754 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,1,0,0,1,0|0,0,2]=4 1755 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,1,0,0,1,0|0,0,2]=4 1756 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,1,0,0,1,0|0,0,2]=4 1757 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,1,0,0,1,0|0,0,2]=4 1758 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,1,0,0,1,0|0,0,2]=4 1759 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,1,0,0,1,0|0,0,2]=4 1760 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,1,0,0,1,0|0,0,2]=4 1761 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,1,0,0,1,0|0,0,2]=4 1762 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,1,0,0,1,0|0,0,2]=4 1763 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,1,0,0,1,0|0,0,2]=4 1764 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,1,0,0,1,0|0,0,2]=4 1765 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,1,0,0,1,0|0,0,2]=4 1766 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,1,0,0,1,0|0,0,2]=4 1767 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,1,0,0,1,0|0,0,2]=4 1768 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,1,0,0,1,0|0,0,2]=4 1769 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,1,0,0,1,0|0,0,2]=4 1770 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,1,0,0,1,0|0,0,2]=4 1771 B9R1.35 O=C(O)C1=CC(=CN1)Br MCULE-5413993794 [0,1,0,0,1,0|0,0,2]=4 1772 B9R1.35 O=C(O)C1=CC(=CN1)Cl MCULE-3563331543 [0,1,0,0,1,0|0,0,2]=4 1773 B9R1.35 O=C(O)C1=CC(=CN1)F MCULE-5396770825 [0,1,0,0,1,0|0,0,2]=4 1774 B9R1.35 O=C(O)C1=CC(=CN1)I MCULE-6663353052 [0,1,0,0,1,0|0,0,2]=4 1775 B9R1.35 O=C(O)C1=CC(=NN1)F MCULE-6990144057 [0,1,0,0,1,0|1,0,1]=4 1776 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,1,0,0,1,0|0,0,0]=2 1777 B9R1.35 O=C(O)C1=CC=C(N1)Br MCULE-7394837443 [0,1,0,0,1,0|0,0,2]=4 1778 B9R1.35 O=C(O)C1=CC=C(N1)Cl MCULE-5770211324 [0,1,0,0,1,0|0,0,2]=4 1779 B9R1.35 O=C(O)C1=CN=C(N1)Br MCULE-4474261991 [0,1,0,0,1,0|1,0,1]=4 1780 B9R1.35 O=C(O)C1=CN=C(N1)Cl MCULE-4622360113 [0,1,0,0,1,0|1,0,1]=4 1781 B9R1.35 O=C(O)C1=CNC(=C1)Br MCULE-7070022577 [0,1,0,0,1,0|0,0,2]=4 1782 B9R1.35 O=C(O)C1=CNC(=C1)Cl MCULE-3108565697 [0,1,0,0,1,0|0,0,2]=4 1783 B9R1.35 O=C(O)C1=NNC(=C1)Br MCULE-7119502457 [0,1,0,0,1,0|1,0,1]=4 1784 B9R1.35 O=C(O)C1=NNC(=C1)Cl MCULE-1848969347 [0,1,0,0,1,0|1,0,1]=4 1785 B9R1.35 O=C(O)C1=NNC(=C1)I MCULE-2058971552 [0,1,0,0,1,0|1,0,1]=4 1786 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,1,0,0,1,0|0,0,2]=4 1787 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,1,0,0,1,0|0,0,2]=4 1788 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,1,0,0,1,0|0,0,2]=4 1789 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,1,0,0,1,0|0,0,2]=4 1790 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,1,0,0,1,0|0,0,2]=4 1791 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,1,0,0,1,0|0,0,2]=4 1792 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,1,0,0,1,0|0,0,2]=4 1793 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,1,0,0,1,0|0,0,2]=4 1794 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,1,0,0,1,0|0,0,2]=4 1795 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,1,0,0,1,0|0,0,2]=4 1796 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,1,0,0,1,0|0,0,2]=4 1797 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,1,0,0,1,0|0,0,2]=4 1798 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,1,0,0,1,0|0,0,2]=4 1799 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,1,0,0,1,0|0,0,2]=4 1800 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,1,0,0,1,0|0,0,2]=4 1801 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,1,0,0,1,0|0,0,2]=4 1802 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,1,0,0,1,0|0,0,2]=4 1803 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,1,0,0,1,0|0,0,2]=4 1804 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,1,0,0,1,0|0,0,2]=4 1805 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,1,0,0,1,0|0,0,2]=4 1806 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,1,0,0,1,0|0,0,2]=4 1807 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,1,0,0,1,0|0,0,2]=4 1808 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,1,0,0,1,0|0,0,2]=4 1809 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,1,0,0,1,0|0,0,2]=4 1810 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,1,0,0,1,0|0,0,2]=4 1811 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,1,0,0,1,0|0,0,2]=4 1812 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,1,0,0,1,0|0,0,2]=4 1813 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,1,0,0,1,0|0,0,2]=4 1814 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,1,0,0,1,0|0,0,2]=4 1815 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,1,0,0,1,0|0,0,2]=4 1816 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,1,0,0,1,0|0,0,2]=4 1817 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,1,0,0,1,0|0,0,2]=4 1818 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,1,0,0,1,0|0,0,2]=4 1819 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,1,0,0,1,0|0,0,2]=4 1820 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,1,0,0,1,0|0,0,2]=4 1821 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,1,0,0,1,0|0,0,2]=4 1822 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,1,0,0,1,0|0,0,2]=4 1823 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,1,0,0,1,0|0,0,2]=4 1824 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,1,0,0,1,0|0,0,2]=4 1825 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,1,0,0,1,0|0,0,2]=4 1826 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,1,0,0,1,0|0,0,2]=4 1827 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,1,0,0,1,0|0,0,2]=4 1828 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,1,0,0,1,0|0,0,2]=4 1829 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,1,0,0,1,0|0,0,2]=4 1830 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,1,0,0,1,0|0,0,2]=4 1831 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,1,0,0,1,0|0,0,2]=4 1832 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,1,0,0,1,0|0,0,2]=4 1833 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,1,0,0,1,0|0,0,2]=4 1834 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,1,0,0,1,0|0,0,2]=4 1835 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,1,0,0,1,0|0,0,2]=4 1836 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,1,0,0,1,0|0,0,2]=4 1837 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,1,0,0,1,0|0,0,2]=4 1838 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,1,0,0,1,0|0,0,2]=4 1839 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,1,0,0,1,0|0,0,2]=4 1840 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,1,0,0,1,0|0,0,2]=4 1841 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,1,0,0,1,0|0,0,2]=4 1842 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,1,0,0,1,0|0,0,2]=4 1843 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,1,0,0,1,0|0,0,2]=4 1844 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,1,0,0,1,0|0,0,2]=4 1845 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,1,0,0,1,0|0,0,2]=4 1846 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,1,0,0,1,0|0,0,2]=4 1847 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,1,0,0,1,0|0,0,2]=4 1848 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,1,0,0,1,0|0,0,2]=4 1849 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,1,0,0,1,0|0,0,2]=4 1850 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,1,0,0,1,0|0,0,1]=3 1851 B9R1.35 O=C1C=C(NN1)C(=O)O MCULE-2820101826 [0,1,0,0,1,0|1,0,1]=4 1852 B9R1.35 O=C1CC(=NN1)C(=O)O MCULE-2135539733 [0,1,0,0,1,0|1,0,1]=4 1853 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,1,0,0,1,0|0,0,2]=4 1854 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,1,0,0,1,0|1,0,1]=4 1855 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,1,0,0,1,0|1,0,1]=4 1856 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,1,0,0,1,0|1,0,1]=4 1857 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,1,0,0,1,0|1,0,1]=4 1858 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,1,0,0,1,0|1,0,1]=4 1859 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,1,0,0,1,0|0,0,2]=4 1860 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,1,0,0,1,0|0,0,2]=4 1861 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,1,0,0,1,0|0,0,2]=4 1862 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,1,0,0,1,0|0,0,2]=4 1863 B9R1.35 O=C1NC(=CO1)C(=O)O MCULE-2610586771 [0,1,0,0,1,0|1,0,1]=4 1864 B9R1.35 O=C1NC(=CS1)C(=O)O MCULE-6848220699 [0,1,0,0,1,0|1,0,1]=4 1865 B9R1.35 O=C1NC=C(N1)C(=O)O MCULE-2879870126 [0,1,0,0,1,0|1,0,1]=4 1866 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,1,0,0,1,0|0,0,2]=4 1867 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,1,0,0,1,0|0,0,2]=4 1868 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,1,0,0,1,0|0,0,2]=4 1869 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,1,0,0,1,0|0,0,2]=4 1870 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,1,0,0,1,0|0,0,2]=4 1871 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,1,0,0,1,0|0,0,2]=4 1872 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,1,0,0,1,0|0,0,2]=4 1873 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,1,0,0,1,0|0,0,2]=4 1874 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,1,0,0,1,0|0,0,2]=4 1875 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,1,0,0,1,0|0,0,2]=4 1876 B9R1.41 CC(=O)C1=C(CCC1)C MCULE-9433038766 [0,1,0,0,1,0|1,0,0]=3 1877 B9R1.41 CC(=O)C1=C(OCC1)C MCULE-6549980198 [0,1,0,0,1,0|2,0,0]=4 1878 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [0,1,0,0,1,0|1,0,1]=4 1879 B9R1.41 CC(=O)N1CCCC1=O MCULE-3328735907 [0,1,0,0,1,0|2,0,0]=4 1880 B9R1.41 CC1=C(C=CN1)C(=O)O MCULE-5422010043 [0,1,0,0,1,0|0,0,2]=4 1881 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,1,0,0,1,0|0,0,0]=2 1882 B9R1.41 CC1=C(CCO1)C(=O)O MCULE-2847123201 [0,1,0,0,1,0|1,0,0]=3 1883 B9R1.41 CC1=C(NC=C1)C(=O)O MCULE-5829407864 [0,1,0,0,1,0|0,0,2]=4 1884 B9R1.41 CC1=C(NC=N1)C(=O)O MCULE-2635413979 [0,1,0,0,1,0|1,0,1]=4 1885 B9R1.41 CC1=CNC=C1C(=O)O MCULE-8296584752 [0,1,0,0,1,0|0,0,2]=4 1886 B9R1.41 CC1=CNN=C1C(=O)O MCULE-8004004734 [0,1,0,0,1,0|1,0,1]=4 1887 B9R1.41 CC1=CNN=C1C(=O)O MCULE-9442763947 [0,1,0,0,1,0|1,0,1]=4 1888 B9R1.41 CC1=NNC=C1C(=O)O MCULE-3024852965 [0,1,0,0,1,0|1,0,1]=4 1889 B9R1.41 CC1=NNN=C1C(=O)O MCULE-4341523293 [0,1,0,0,1,0|2,0,0]=4 1890 B9R1.41 CC1=NNN=C1C(=O)O MCULE-9616197662 [0,1,0,0,1,0|2,0,0]=4 1891 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,0,1,0|0,0,2]=4 1892 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,0,1,0|0,0,2]=4 1893 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,0,1,0|0,0,2]=4 1894 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,0,1,0|0,0,1]=3 1895 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,0,1,0|0,0,1]=3 1896 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,0,1,0|0,0,1]=3 1897 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,0,1,0|0,0,1]=3 1898 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,0,1,0|1,0,1]=4 1899 B9R1.41 CN1C=CC=C1C(=O)O MCULE-8318842554 [0,1,0,0,1,0|0,0,2]=4 1900 B9R1.41 CN1C=NC=C1C(=O)O MCULE-8948481474 [0,1,0,0,1,0|1,0,1]=4 1901 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [0,1,0,0,1,0|0,0,2]=4 1902 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [0,1,0,0,1,0|0,0,2]=4 1903 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,1,0,0,1,0|0,0,2]=4 1904 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,1,0,0,1,0|0,0,2]=4 1905 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,1,0,0,1,0|0,0,2]=4 1906 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,1,0,0,1,0|0,0,2]=4 1907 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,1,0,0,1,0|0,0,2]=4 1908 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,1,0,0,1,0|0,0,2]=4 1909 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,1,0,0,1,0|0,0,2]=4 1910 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,1,0,0,1,0|0,0,2]=4 1911 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,1,0,0,1,0|0,0,2]=4 1912 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,1,0,0,1,0|0,0,2]=4 1913 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,1,0,0,1,0|0,0,2]=4 1914 B9R1.41 CN1N=CC=C1C(=O)O MCULE-2921786113 [0,1,0,0,1,0|1,0,1]=4 1915 B9R1.41 CN1N=NC=C1C(=O)O MCULE-9709099520 [0,1,0,0,1,0|2,0,0]=4 1916 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,0,1,0|0,0,2]=4 1917 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,0,1,0|0,0,2]=4 1918 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,0,1,0|0,0,2]=4 1919 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,0,1,0|1,0,1]=4 1920 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,0,1,0|0,0,1]=3 1921 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,0,1,0|0,0,1]=3 1922 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,0,1,0|0,0,1]=3 1923 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,0,1,0|0,0,1]=3 1924 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,0,1,0|0,0,1]=3 1925 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,0,1,0|1,0,1]=4 1926 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,0,1,0|1,0,1]=4 1927 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,0,1,0|0,0,2]=4 1928 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,0,1,0|0,0,2]=4 1929 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,0,1,0|0,0,2]=4 1930 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,0,1,0|0,0,1]=3 1931 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,0,1,0|0,0,1]=3 1932 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,0,1,0|0,0,1]=3 1933 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,0,1,0|0,0,1]=3 1934 B9R1.41 NC(=O)C1=C(SCC1)N MCULE-1189159246 [0,1,0,0,1,0|2,0,0]=4 1935 B9R1.41 NC(=O)C1CCCC1=O MCULE-2399127943 [0,1,0,0,1,0|1,0,1]=4 1936 B9R1.41 NC(=O)N1CCCC1=O MCULE-5194166141 [0,1,0,0,1,0|2,0,0]=4 1937 B9R1.41 NC(=S)C1=C(CCC1)N MCULE-5950100327 [0,1,0,0,1,0|1,1,0]=4 1938 B9R1.41 NC1=C(CCC1)C(=O)O MCULE-9287668193 [0,1,0,0,1,0|0,0,0]=2 1939 B9R1.41 NC1=CNN=C1C(=O)O MCULE-2495404267 [0,1,0,0,1,0|1,0,1]=4 1940 B9R1.41 NC1=CNN=C1C(=O)O MCULE-3960902812 [0,1,0,0,1,0|1,0,1]=4 1941 B9R1.41 NC1=NNC=C1C(=O)O MCULE-1146443572 [0,1,0,0,1,0|1,0,1]=4 1942 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,0,1,0|0,0,2]=4 1943 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,0,1,0|0,0,2]=4 1944 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,1,0,0,1,0|0,0,2]=4 1945 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,1,0,0,1,0|0,0,2]=4 1946 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,1,0,0,1,0|0,0,1]=3 1947 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,1,0,0,1,0|1,0,1]=4 1948 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,1,0,0,1,0|1,0,1]=4 1949 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,1,0,0,1,0|0,0,2]=4 1950 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,0,1,0|0,0,2]=4 1951 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,0,1,0|0,0,2]=4 1952 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,0,1,0|0,0,2]=4 1953 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,0,1,0|0,0,2]=4 1954 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,0,1,0|0,0,2]=4 1955 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,0,1,0|0,0,2]=4 1956 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,0,1,0|0,0,2]=4 1957 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,0,1,0|0,0,2]=4 1958 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,1,0,0,1,0|0,0,2]=4 1959 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,1,0,0,1,0|0,0,2]=4 1960 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,1,0,0,1,0|0,0,2]=4 1961 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,1,0,0,1,0|0,0,2]=4 1962 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,1,0,0,1,0|1,0,1]=4 1963 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,1,0,0,1,0|1,0,1]=4 1964 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,0,1,0|0,0,2]=4 1965 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,0,1,0|0,0,2]=4 1966 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,0,1,0|0,0,2]=4 1967 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,0,1,0|0,0,2]=4 1968 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,0,1,0|0,0,2]=4 1969 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,0,1,0|0,0,2]=4 1970 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,0,1,0|0,0,2]=4 1971 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,0,1,0|0,0,2]=4 1972 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,0,1,0|0,0,2]=4 1973 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,0,1,0|0,0,2]=4 1974 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,1,0,0,1,0|1,0,1]=4 1975 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,1,0,0,1,0|1,0,1]=4 1976 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,1,0,0,1,0|1,0,1]=4 1977 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,1,0,0,1,0|1,0,1]=4 1978 B9R1.41 O=C(Cl)C1CCCC1=O MCULE-1186628152 [0,1,0,0,1,0|1,0,1]=4 1979 B9R1.41 O=C(Cl)N1CCCC1=O MCULE-4360774967 [0,1,0,0,1,0|2,0,0]=4 1980 B9R1.41 O=C(O)C1=C(C=CN1)Br MCULE-5841816451 [0,1,0,0,1,0|0,0,2]=4 1981 B9R1.41 O=C(O)C1=C(C=CN1)F MCULE-8955586724 [0,1,0,0,1,0|0,0,2]=4 1982 B9R1.41 O=C(O)C1=C(C=NN1)I MCULE-7800240532 [0,1,0,0,1,0|1,0,1]=4 1983 B9R1.41 O=C(O)C1=C(CCC1)Cl MCULE-4349801654 [0,1,0,0,1,0|0,0,0]=2 1984 B9R1.41 O=C(O)C1=C(N=CN1)Br MCULE-1363236756 [0,1,0,0,1,0|1,0,1]=4 1985 B9R1.41 O=C(O)C1=C(NN=C1)Br MCULE-1542027664 [0,1,0,0,1,0|1,0,1]=4 1986 B9R1.41 O=C(O)C1=C(NN=C1)Cl MCULE-8282187205 [0,1,0,0,1,0|1,0,1]=4 1987 B9R1.41 O=C(O)C1=C(NN=C1)I MCULE-1655349232 [0,1,0,0,1,0|1,0,1]=4 1988 B9R1.41 O=C(O)C1=CNNC1=O MCULE-4087238675 [0,1,0,0,1,0|1,0,1]=4 1989 B9R1.41 O=C(O)C1=NNC=C1Br MCULE-8803859737 [0,1,0,0,1,0|1,0,1]=4 1990 B9R1.41 O=C(O)C1=NNC=C1Cl MCULE-9369842938 [0,1,0,0,1,0|1,0,1]=4 1991 B9R1.41 O=C(O)C1=NNC=C1F MCULE-1796630857 [0,1,0,0,1,0|1,0,1]=4 1992 B9R1.41 O=C(O)C1=NNN=C1Cl MCULE-8381827672 [0,1,0,0,1,0|2,0,0]=4 1993 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,1,0,0,1,0|0,0,1]=3 1994 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,0,1,0|0,0,2]=4 1995 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,1,0,0,1,0|0,0,2]=4 1996 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,1,0,0,1,0|1,0,1]=4 1997 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,1,0,0,1,0|0,0,1]=3 1998 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,1,0,0,1,0|0,0,1]=3 1999 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,1,0,0,1,0|1,0,1]=4 2000 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [0,1,0,0,1,0|1,0,1]=4 2001 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,1,0,0,1,0|0,0,2]=4 2002 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,1,0,0,1,0|0,0,2]=4 2003 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,1,0,0,1,0|0,0,2]=4 2004 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,1,0,0,1,0|0,0,2]=4 2005 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,1,0,0,1,0|0,0,2]=4 2006 B9R1.41 O=C(O)N1CCNC1=O MCULE-2423498210 [0,1,0,0,1,0|1,0,1]=4 2007 B9R1.41 O=C(O)N1CCOC1=O MCULE-1134006173 [0,1,0,0,1,0|2,0,0]=4 2008 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,1,0,0,1,0|0,0,2]=4 2009 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,1,0,0,1,0|0,0,2]=4 2010 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,1,0,0,1,0|0,0,2]=4 2011 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,1,0,0,1,0|0,0,2]=4 2012 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,1,0,0,1,0|0,0,2]=4 2013 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,1,0,0,1,0|0,0,2]=4 2014 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,1,0,0,1,0|0,0,2]=4 2015 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,1,0,0,1,0|0,0,2]=4 2016 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,1,0,0,1,0|0,0,2]=4 2017 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,1,0,0,1,0|0,0,2]=4 2018 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,1,0,0,1,0|0,0,2]=4 2019 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,1,0,0,1,0|0,0,2]=4 2020 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,1,0,0,1,0|0,0,2]=4 2021 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,1,0,0,1,0|0,0,2]=4 2022 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,1,0,0,1,0|1,0,1]=4 2023 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,0,1,0|0,0,2]=4 2024 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,1,0,0,1,0|0,0,2]=4 2025 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,1,0,0,1,0|0,0,2]=4 2026 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,1,0,0,1,0|0,0,2]=4 2027 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,1,0,0,1,0|0,0,2]=4 2028 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,1,0,0,1,0|0,0,2]=4 2029 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,1,0,0,1,0|0,0,2]=4 2030 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,1,0,0,1,0|0,0,2]=4 2031 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,1,0,0,1,0|0,0,2]=4 2032 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,1,0,0,1,0|0,0,2]=4 2033 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,1,0,0,1,0|0,0,2]=4 2034 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,1,0,0,1,0|0,0,2]=4 2035 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,1,0,0,1,0|0,0,2]=4 2036 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,1,0,0,1,0|0,0,2]=4 2037 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,1,0,0,1,0|0,0,2]=4 2038 B9R1.41 OB(O)C1=C(CCC1)Br MCULE-3550597058 [0,1,0,0,1,0|1,0,1]=4 2039 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,1,0,0,1,0|0,0,2]=4 2040 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,1,0,0,1,0|0,0,2]=4 2041 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,1,0,0,1,0|0,0,2]=4 2042 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [0,1,0,0,1,0|0,0,2]=4 2043 B9R1.163 CC1(CCCC1)C(=O)O MCULE-8150530718 [0,1,0,0,1,0|0,0,2]=4 2044 B9R1.163 CC1(CCCN1)C(=O)O MCULE-2669113714 [0,1,0,0,1,0|0,0,2]=4 2045 B9R1.163 CC1(CCCN1)C(=O)O MCULE-3184723558 [0,1,0,0,1,0|0,0,2]=4 2046 B9R1.163 CC1(CCCN1)C(=O)O MCULE-5494365974 [0,1,0,0,1,0|0,0,2]=4 2047 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9532642299 [0,1,0,0,1,0|0,0,2]=4 2048 B9R1.163 CC1(CCCN1)C(=O)O MCULE-9805069526 [0,1,0,0,1,0|0,0,2]=4 2049 B9R1.163 CC1(CCCO1)C(=O)O MCULE-9576233735 [0,1,0,0,1,0|1,0,1]=4 2050 B9R1.163 CC1(CCCS1)C(=O)O MCULE-3409370715 [0,1,0,0,1,0|1,0,1]=4 2051 B9R1.163 CC1(CCNC1)C(=O)N MCULE-9618767565 [0,1,0,0,1,0|1,0,1]=4 2052 B9R1.163 CC1(CCNC1)C(=O)O MCULE-2715430873 [0,1,0,0,1,0|0,0,1]=3 2053 B9R1.163 CC1(CCNC1)C(=O)O MCULE-4084355022 [0,1,0,0,1,0|0,0,1]=3 2054 B9R1.163 CC1(CCOC1)C(=O)O MCULE-6893882009 [0,1,0,0,1,0|1,0,1]=4 2055 B9R1.163 CC1(NCCS1)C(=O)O MCULE-3303237869 [0,1,0,0,1,0|1,0,1]=4 2056 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-2607591453 [0,1,0,0,1,0|0,0,2]=4 2057 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-6141960789 [0,1,0,0,1,0|0,0,2]=4 2058 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-7011144386 [0,1,0,0,1,0|0,0,2]=4 2059 B9R1.163 C[C@@]1(CCCN1)C(=O)O MCULE-8922118927 [0,1,0,0,1,0|0,0,2]=4 2060 B9R1.163 C[C@@]1(CCCO1)C(=O)O MCULE-5169117592 [0,1,0,0,1,0|1,0,1]=4 2061 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3070355045 [0,1,0,0,1,0|0,0,1]=3 2062 B9R1.163 C[C@@]1(CCNC1)C(=O)O MCULE-3719506215 [0,1,0,0,1,0|0,0,1]=3 2063 B9R1.163 C[C@@]1(CCOC1)C(=O)O MCULE-5585882923 [0,1,0,0,1,0|1,0,1]=4 2064 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-6724020872 [0,1,0,0,1,0|0,0,2]=4 2065 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-7675502884 [0,1,0,0,1,0|0,0,2]=4 2066 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-8343149548 [0,1,0,0,1,0|0,0,2]=4 2067 B9R1.163 C[C@]1(CCCN1)C(=O)O MCULE-9260269719 [0,1,0,0,1,0|0,0,2]=4 2068 B9R1.163 C[C@]1(CCCO1)C(=O)O MCULE-3910400790 [0,1,0,0,1,0|1,0,1]=4 2069 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-1423230640 [0,1,0,0,1,0|0,0,1]=3 2070 B9R1.163 C[C@]1(CCNC1)C(=O)O MCULE-7327407576 [0,1,0,0,1,0|0,0,1]=3 2071 B9R1.163 NC(=O)C1(CCNC1)F MCULE-2967472132 [0,1,0,0,1,0|1,0,1]=4 2072 B9R1.163 NC(=O)C1(CCNC1)O MCULE-3402125568 [0,1,0,0,1,0|1,0,1]=4 2073 B9R1.163 NC(=O)C1(CCNC1)O MCULE-4107989965 [0,1,0,0,1,0|1,0,1]=4 2074 B9R1.163 NC1(CCCC1)C(=O)O MCULE-6366286422 [0,1,0,0,1,0|0,0,2]=4 2075 B9R1.163 NC1(CCNC1)C(=O)O MCULE-1061035749 [0,1,0,0,1,0|0,0,1]=3 2076 B9R1.163 NC1(CCOC1)C(=O)O MCULE-1020331216 [0,1,0,0,1,0|1,0,1]=4 2077 B9R1.163 NC1(CCOC1)C(=O)O MCULE-3239849151 [0,1,0,0,1,0|1,0,1]=4 2078 B9R1.163 NC1(CCOC1)C(=O)O MCULE-7635316557 [0,1,0,0,1,0|1,0,1]=4 2079 B9R1.163 NC1(CCSC1)C(=O)O MCULE-2866413498 [0,1,0,0,1,0|1,0,1]=4 2080 B9R1.163 NC1(CCSC1)C(=O)O MCULE-3077570702 [0,1,0,0,1,0|1,0,1]=4 2081 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-4940789798 [0,1,0,0,1,0|1,0,1]=4 2082 B9R1.163 N[C@@]1(CCOC1)C(=O)O MCULE-9120207414 [0,1,0,0,1,0|1,0,1]=4 2083 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-3449072625 [0,1,0,0,1,0|1,0,1]=4 2084 B9R1.163 N[C@@]1(CCSC1)C(=O)O MCULE-6533506498 [0,1,0,0,1,0|1,0,1]=4 2085 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-5112163951 [0,1,0,0,1,0|0,0,1]=3 2086 B9R1.163 N[C@]1(CCNC1)C(=O)O MCULE-7065442028 [0,1,0,0,1,0|0,0,1]=3 2087 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-6757422211 [0,1,0,0,1,0|1,0,1]=4 2088 B9R1.163 N[C@]1(CCOC1)C(=O)O MCULE-8786481856 [0,1,0,0,1,0|1,0,1]=4 2089 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1832449395 [0,1,0,0,1,0|1,0,1]=4 2090 B9R1.163 N[C@]1(CCSC1)C(=O)O MCULE-1974139646 [0,1,0,0,1,0|1,0,1]=4 2091 B9R1.163 O=C(O)C1(CCCC1)Br MCULE-3131005284 [0,1,0,0,1,0|0,0,2]=4 2092 B9R1.163 O=C(O)C1(CCCC1)F MCULE-4282263280 [0,1,0,0,1,0|0,0,2]=4 2093 B9R1.163 O=C(O)C1(CCCC1)O MCULE-2147028492 [0,1,0,0,1,0|0,0,2]=4 2094 B9R1.163 O=C(O)C1(CCNC1)F MCULE-3943818123 [0,1,0,0,1,0|0,0,1]=3 2095 B9R1.163 O=C(O)C1(CCNC1)F MCULE-9385624346 [0,1,0,0,1,0|0,0,1]=3 2096 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5890399768 [0,1,0,0,1,0|0,0,1]=3 2097 B9R1.163 O=C(O)C1(CCNC1)O MCULE-5910869185 [0,1,0,0,1,0|0,0,1]=3 2098 B9R1.163 O=C(O)C1(CCOC1)F MCULE-5718551369 [0,1,0,0,1,0|1,0,1]=4 2099 B9R1.163 O=C(O)C1(CCOC1)O MCULE-8834969992 [0,1,0,0,1,0|1,0,1]=4 2100 B9R1.163 O=C(O)C1(CCSC1)O MCULE-7477879136 [0,1,0,0,1,0|1,0,1]=4 2101 B9R1.163 O=C(O)[C@@]1(CCNC1)F MCULE-8296048165 [0,1,0,0,1,0|0,0,1]=3 2102 B11R1.20 CC1CCC(=CC(=O)O)CC1 MCULE-3219235277 [0,1,0,0,0,1|1,0,1]=4 2103 B11R1.36 CC(=C1CCCCC1)C(=O)O MCULE-5916603018 [0,1,0,0,0,1|1,0,1]=4 2104 B11R1.36 NC(C(=O)O)C1=CCC=CC1 MCULE-3072784740 [0,1,0,0,0,1|1,0,1]=4 2105 B11R1.36 NC(C(=O)O)C1=CCC=CC1 MCULE-6440999704 [0,1,0,0,0,1|1,0,1]=4 2106 B11R1.36 NC(C(=O)O)C1CCCNC1 MCULE-5536275038 [0,1,0,0,0,1|0,0,2]=4 2107 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 MCULE-1819136769 [0,1,0,0,0,1|1,0,1]=4 2108 B11R1.36 N[C@@H](C(=O)O)C1=CCC=CC1 MCULE-3202910568 [0,1,0,0,0,1|1,0,1]=4 2109 B11R1.36 O=C(O)C(=C1CCCCC1)F MCULE-3891003655 [0,1,0,0,0,1|1,0,1]=4 2110 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-1767872209 [0,1,0,0,0,1|0,0,2]=4 2111 B11R1.36 O=C(O)C(O)C1CCCNC1 MCULE-6745265789 [0,1,0,0,0,1|0,0,2]=4 2112 B11R1.36 [C@@H]1(CCCNC1)C(N)C(=O)O MCULE-6149074850 [0,1,0,0,0,1|0,0,2]=4 2113 B11R1.36 [C@@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7684614655 [0,1,0,0,0,1|0,0,2]=4 2114 B11R1.36 [C@@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-3256486770 [0,1,0,0,0,1|0,0,2]=4 2115 B11R1.36 [C@H]1(CCCNC1)C(N)C(=O)O MCULE-3096261009 [0,1,0,0,0,1|0,0,2]=4 2116 B11R1.36 [C@H]1(CCCNC1)[C@@H](N)C(=O)O MCULE-7922011516 [0,1,0,0,0,1|0,0,2]=4 2117 B11R1.36 [C@H]1(CCCNC1)[C@H](N)C(=O)O MCULE-6518139620 [0,1,0,0,0,1|0,0,2]=4 2118 B11R1.40 COC(=O)C=C1CCCCC1 MCULE-4895716264 [0,1,0,0,0,1|1,0,1]=4 2119 B11R1.40 COC(=O)C=C1CCCCN1 MCULE-1404515648 [0,1,0,0,0,1|2,0,0]=4 2120 B11R1.40 COC(=O)C=C1CCCOC1 MCULE-4989506759 [0,1,0,0,0,1|1,0,1]=4 2121 B11R1.40 COC(=O)CC1CCCNC1 MCULE-2894207855 [0,1,0,0,0,1|0,0,2]=4 2122 B11R1.40 COC(=O)CC1CCCNC1 MCULE-8539590471 [0,1,0,0,0,1|0,0,2]=4 2123 B11R1.40 COC(=O)CC1CNCCN1 MCULE-3576929850 [0,1,0,0,0,1|1,0,1]=4 2124 B11R1.40 COC(=O)CC1CNCCN1 MCULE-4757525788 [0,1,0,0,0,1|1,0,1]=4 2125 B11R1.40 COC(=O)CC1CNCCN1 MCULE-7203538338 [0,1,0,0,0,1|1,0,1]=4 2126 B11R1.40 COC(=O)CC1CNCCO1 MCULE-1280217934 [0,1,0,0,0,1|1,0,1]=4 2127 B11R1.40 COC(=O)CC1CNCCO1 MCULE-5231998819 [0,1,0,0,0,1|1,0,1]=4 2128 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3033016054 [0,1,0,0,0,1|0,0,2]=4 2129 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-3350930478 [0,1,0,0,0,1|0,0,2]=4 2130 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8139225473 [0,1,0,0,0,1|0,0,2]=4 2131 B11R1.40 COC(=O)C[C@@H]1CCCNC1 MCULE-8627301252 [0,1,0,0,0,1|0,0,2]=4 2132 B11R1.40 COC(=O)C[C@@H]1CNCCN1 MCULE-1821824704 [0,1,0,0,0,1|1,0,1]=4 2133 B11R1.40 COC(=O)C[C@@H]1CNCCN1 MCULE-5290611199 [0,1,0,0,0,1|1,0,1]=4 2134 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-3437799074 [0,1,0,0,0,1|1,0,1]=4 2135 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-6671000639 [0,1,0,0,0,1|1,0,1]=4 2136 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-7270283362 [0,1,0,0,0,1|1,0,1]=4 2137 B11R1.40 COC(=O)C[C@@H]1CNCCO1 MCULE-9537872850 [0,1,0,0,0,1|1,0,1]=4 2138 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-1720030033 [0,1,0,0,0,1|0,0,2]=4 2139 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-6508778923 [0,1,0,0,0,1|0,0,2]=4 2140 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8131066241 [0,1,0,0,0,1|0,0,2]=4 2141 B11R1.40 COC(=O)C[C@H]1CCCNC1 MCULE-8434859537 [0,1,0,0,0,1|0,0,2]=4 2142 B11R1.40 COC(=O)C[C@H]1CNCCO1 MCULE-1415029428 [0,1,0,0,0,1|1,0,1]=4 2143 B11R1.40 COC(=O)C[C@H]1CNCCO1 MCULE-9109427537 [0,1,0,0,0,1|1,0,1]=4 2144 B11R1.40 COC(=O)NC1CCCNC1 MCULE-9996682353 [0,1,0,0,0,1|0,0,2]=4 2145 B11R1.86 CC1CCNCC1CC(=O)O MCULE-2573262395 [0,1,0,0,0,1|0,0,2]=4 2146 B11R1.86 CC1CCNCC1CC(=O)O MCULE-6926994477 [0,1,0,0,0,1|0,0,2]=4 2147 B11R1.86 O=C(O)CC1CCCCC1=O MCULE-2872066455 [0,1,0,0,0,1|1,0,1]=4 2148 B11R1.86 O=C(O)CN1CCCCC1=O MCULE-6673893259 [0,1,0,0,0,1|2,0,0]=4 2149 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-1750389348 [0,1,0,0,0,1|0,0,2]=4 2150 B11R1.157 CC1CNCC(C1)CC(=O)O MCULE-3483420567 [0,1,0,0,0,1|0,0,2]=4 2151 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-3307095078 [0,1,0,0,0,1|0,0,2]=4 2152 B11R1.157 CN1CCCC(C1)CC(=O)O MCULE-6317011723 [0,1,0,0,0,1|0,0,2]=4 2153 B11R1.497 O=C1CCCCC(C1)C(=O)O MCULE-7646723801 [0,1,0,0,0,1|1,0,1]=4 2154 B11R1.497 O=C1CCCCC(N1)C(=O)O MCULE-3462654668 [0,1,0,0,0,1|1,0,1]=4 2155 B11R1.497 O=C1CCSCC(N1)C(=O)O MCULE-1237852498 [0,1,0,0,0,1|1,0,1]=4 2156 B11R1.565 CN1CCCC(CC1)C(=O)O MCULE-2315942552 [0,1,0,0,0,1|0,0,2]=4 2157 B11R1.737 NC1(CCCNCC1)C(=O)O MCULE-7153988486 [0,1,0,0,0,1|0,0,2]=4 2158 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5033307999 [0,1,0,0,0,1|0,0,2]=4 2159 B11R1.852 COC(=O)C1CCCCNC1 MCULE-5999850816 [0,1,0,0,0,1|0,0,2]=4 2160 B11R1.852 COC(=O)C1CCCNCC1 MCULE-3407559638 [0,1,0,0,0,1|0,0,2]=4 2161 B11R1.852 COC(=O)C1CCCNCC1 MCULE-7978075592 [0,1,0,0,0,1|0,0,2]=4 2162 B11R1.852 COC(=O)C1CNCCCN1 MCULE-4382038267 [0,1,0,0,0,1|0,0,2]=4 2163 B11R1.852 COC(=O)C1CNCCCO1 MCULE-5602819799 [0,1,0,0,0,1|0,0,2]=4 2164 B11R1.852 COC(=O)C1CNCCCO1 MCULE-9238281261 [0,1,0,0,0,1|0,0,2]=4 2165 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3087165562 [0,1,0,0,0,1|0,0,2]=4 2166 B11R1.852 COC(=O)C1CNCCOC1 MCULE-3586722287 [0,1,0,0,0,1|0,0,2]=4 2167 B11R1.852 COC(=O)C1CNCCSC1 MCULE-9024750063 [0,1,0,0,0,1|0,0,2]=4 2168 B11R1.852 COC(=O)N1CCCNCC1 MCULE-2036464472 [0,1,0,0,0,1|1,0,1]=4 2169 B11R1.852 COC(=O)N1CCCNCC1 MCULE-5917538833 [0,1,0,0,0,1|1,0,1]=4 2170 B11R1.3 COC1CC=C(CC1)C(=O)O MCULE-1751731943 [0,2,0,0,0,0|1,0,0]=3 2171 B11R1.3 NCC1CC=C(CC1)C(=O)O MCULE-3208079836 [0,2,0,0,0,0|1,0,0]=3 2172 B11R1.3 NCC1CC=C(CC1)C(=O)O MCULE-3626705589 [0,2,0,0,0,0|1,0,0]=3 2173 B11R1.21 O=C(O)C1=C[C@H]([C@@H](C=C1)O)O MCULE-4944365384 [0,2,0,0,0,0|1,0,1]=4 2174 B11R1.21 O=C(O)C1=C[C@H]([C@@H](C=C1)O)O MCULE-6024275009 [0,2,0,0,0,0|1,0,1]=4 2175 B11R1.22 COC(=O)C1=CCN(CC1)C MCULE-2944464256 [0,2,0,0,0,0|2,0,0]=4 2176 B11R1.22 COC(=O)C1=CCN(CC1)C MCULE-7454181068 [0,2,0,0,0,0|2,0,0]=4 2177 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-1103691698 [0,2,0,0,0,0|0,0,2]=4 2178 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-4066328394 [0,2,0,0,0,0|0,0,2]=4 2179 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-7905998970 [0,2,0,0,0,0|0,0,2]=4 2180 B11R1.22 COC(=O)C1CNC(CN1)C MCULE-2760554111 [0,2,0,0,0,0|1,0,1]=4 2181 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-1999660404 [0,2,0,0,0,0|0,0,2]=4 2182 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2455994251 [0,2,0,0,0,0|0,0,2]=4 2183 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2976201730 [0,2,0,0,0,0|0,0,2]=4 2184 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-3782740676 [0,2,0,0,0,0|0,0,2]=4 2185 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-6464990394 [0,2,0,0,0,0|0,0,2]=4 2186 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-1654286744 [0,2,0,0,0,0|0,0,2]=4 2187 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-2389055337 [0,2,0,0,0,0|0,0,2]=4 2188 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-3268300078 [0,2,0,0,0,0|0,0,2]=4 2189 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-5032774144 [0,2,0,0,0,0|0,0,2]=4 2190 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-4324818722 [0,2,0,0,0,0|0,0,2]=4 2191 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-5137006001 [0,2,0,0,0,0|0,0,2]=4 2192 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-9584865102 [0,2,0,0,0,0|0,0,2]=4 2193 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-1064182684 [0,2,0,0,0,0|0,0,2]=4 2194 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-5686053466 [0,2,0,0,0,0|0,0,2]=4 2195 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7329517559 [0,2,0,0,0,0|0,0,2]=4 2196 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7669213048 [0,2,0,0,0,0|0,0,2]=4 2197 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-8006054967 [0,2,0,0,0,0|0,0,2]=4 2198 B11R1.22 [C@H]1(CC[C@H](CN1)C(=O)OC)C MCULE-3786752577 [0,2,0,0,0,0|0,0,2]=4 2199 B11R1.166 O=C(O)C1=C(CC(C=C1)F)F MCULE-1566515152 [0,2,0,0,0,0|1,0,1]=4 2200 B11R1.727 CC1(CC=C(CC1)C(=O)O)C MCULE-8393208590 [0,2,0,0,0,0|1,0,0]=3 2201 B11R1.727 CC1(COC(CN1)C(=O)O)C MCULE-4924802724 [0,2,0,0,0,0|1,0,1]=4 2202 B11R1.727 CC1(COC(CN1)C(=O)O)C MCULE-8615912536 [0,2,0,0,0,0|1,0,1]=4 2203 B11R1.727 O=C(O)C1=CCC(CC1)(F)F MCULE-5527910848 [0,2,0,0,0,0|1,0,0]=3 2204 B11R1.16 C1(CCCNC1)C(=O)OCC MCULE-7218455020 [0,2,0,0,0,0|0,0,2]=4 2205 B11R1.16 CCOC(=O)C1=CCCNC1 MCULE-2494881503 [0,2,0,0,0,0|0,0,0]=2 2206 B11R1.16 CCOC(=O)C1=CCCNC1 MCULE-9977440197 [0,2,0,0,0,0|0,0,0]=2 2207 B11R1.16 CCOC(=O)C1=CCCOC1 MCULE-5684493828 [0,2,0,0,0,0|1,0,0]=3 2208 B11R1.16 CCOC(=O)C1=CCNCC1 MCULE-3550900853 [0,2,0,0,0,0|2,0,0]=4 2209 B11R1.16 CCOC(=O)C1=CCNCC1 MCULE-6019226182 [0,2,0,0,0,0|2,0,0]=4 2210 B11R1.16 CCOC(=O)C1=CNCCC1 MCULE-9071812580 [0,2,0,0,0,0|0,0,2]=4 2211 B11R1.16 CCOC(=O)C1=CNCCS1 MCULE-6640913067 [0,2,0,0,0,0|1,0,1]=4 2212 B11R1.16 CCOC(=O)C1=COCCC1 MCULE-8401522266 [0,2,0,0,0,0|2,0,0]=4 2213 B11R1.16 CCOC(=O)C1CCCNC1 MCULE-3675023359 [0,2,0,0,0,0|0,0,2]=4 2214 B11R1.16 CCOC(=O)C1CCCNC1 MCULE-4746135984 [0,2,0,0,0,0|0,0,2]=4 2215 B11R1.16 CCOC(=O)C1CCCNC1 MCULE-8856518925 [0,2,0,0,0,0|0,0,2]=4 2216 B11R1.16 CCOC(=O)C1CNCCN1 MCULE-2206886293 [0,2,0,0,0,0|1,0,1]=4 2217 B11R1.16 CCOC(=O)C1CNCCN1 MCULE-6219416292 [0,2,0,0,0,0|1,0,1]=4 2218 B11R1.16 CCOC(=O)C1CNCCO1 MCULE-3813416121 [0,2,0,0,0,0|1,0,1]=4 2219 B11R1.16 CCOC(=O)C1CNCCO1 MCULE-4556889516 [0,2,0,0,0,0|1,0,1]=4 2220 B11R1.16 CCOC(=O)C1CNCCO1 MCULE-7807962708 [0,2,0,0,0,0|1,0,1]=4 2221 B11R1.16 CCOC(=O)C1CNCCS1 MCULE-5596720547 [0,2,0,0,0,0|1,0,1]=4 2222 B11R1.16 CCOC(=O)C1CNCCS1 MCULE-7516167282 [0,2,0,0,0,0|1,0,1]=4 2223 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-1359008002 [0,2,0,0,0,0|0,0,2]=4 2224 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-3017848023 [0,2,0,0,0,0|0,0,2]=4 2225 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-3626074988 [0,2,0,0,0,0|0,0,2]=4 2226 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-4968733918 [0,2,0,0,0,0|0,0,2]=4 2227 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-8465407593 [0,2,0,0,0,0|0,0,2]=4 2228 B11R1.16 CCOC(=O)[C@@H]1CCCNC1 MCULE-9622641716 [0,2,0,0,0,0|0,0,2]=4 2229 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-2736748797 [0,2,0,0,0,0|0,0,2]=4 2230 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-3698900770 [0,2,0,0,0,0|0,0,2]=4 2231 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-6641118890 [0,2,0,0,0,0|0,0,2]=4 2232 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-7157160072 [0,2,0,0,0,0|0,0,2]=4 2233 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-7599426784 [0,2,0,0,0,0|0,0,2]=4 2234 B11R1.16 CCOC(=O)[C@H]1CCCNC1 MCULE-9165782492 [0,2,0,0,0,0|0,0,2]=4 2235 B11R1.16 CCOC(=O)[C@H]1CNCCO1 MCULE-2826637726 [0,2,0,0,0,0|1,0,1]=4 2236 B11R1.16 CCOC(=O)[C@H]1CNCCO1 MCULE-5977561991 [0,2,0,0,0,0|1,0,1]=4 2237 B11R1.16 CCOC(=O)[C@H]1CNCCO1 MCULE-9147321196 [0,2,0,0,0,0|1,0,1]=4 2238 B11R1.16 CCOC(=O)[C@H]1CNCCO1 MCULE-9852355835 [0,2,0,0,0,0|1,0,1]=4 2239 B11R1.16 N1CCCC(C1)C(=O)OCC MCULE-7955165183 [0,2,0,0,0,0|0,0,2]=4 2240 B11R1.23 CNC(=O)C1=CCCN(C1)C MCULE-1230807335 [0,2,0,0,0,0|1,0,0]=3 2241 B11R1.23 CNC(=O)C1=CCCN(C1)C MCULE-7556950393 [0,2,0,0,0,0|1,0,0]=3 2242 B11R1.23 COC(=O)C1=CC(=O)CCC1 MCULE-9379833788 [0,2,0,0,0,0|1,0,1]=4 2243 B11R1.23 COC(=O)C1=CCCN(C1)C MCULE-3548065583 [0,2,0,0,0,0|0,0,0]=2 2244 B11R1.23 COC(=O)C1=CCCN(C1)C MCULE-7085698770 [0,2,0,0,0,0|0,0,0]=2 2245 B11R1.23 COC(=O)C1=CCCN(C1)C MCULE-7834041957 [0,2,0,0,0,0|0,0,0]=2 2246 B11R1.23 COC(=O)C1CCCN(C1)C MCULE-9564999871 [0,2,0,0,0,0|0,0,2]=4 2247 B11R1.23 COC(=O)C1CN(CCN1)C MCULE-4547246021 [0,2,0,0,0,0|1,0,1]=4 2248 B11R1.23 COC(=O)C1CN(CCN1)C MCULE-8755175940 [0,2,0,0,0,0|1,0,1]=4 2249 B11R1.23 COC(=O)C1CN(CCO1)C MCULE-2961200374 [0,2,0,0,0,0|1,0,1]=4 2250 B11R1.23 COC(=O)C1CNCC(C1)C MCULE-6792476382 [0,2,0,0,0,0|0,0,2]=4 2251 B11R1.23 COC(=O)C1CNCC(C1)C MCULE-7677037243 [0,2,0,0,0,0|0,0,2]=4 2252 B11R1.23 COC(=O)C1CNCC(C1)F MCULE-1891281041 [0,2,0,0,0,0|0,0,2]=4 2253 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-8962874525 [0,2,0,0,0,0|0,0,2]=4 2254 B11R1.23 COC(=O)C1CNCC(C1)O MCULE-9903585063 [0,2,0,0,0,0|0,0,2]=4 2255 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C MCULE-1258635616 [0,2,0,0,0,0|0,0,2]=4 2256 B11R1.23 COC(=O)[C@@H]1CCCN(C1)C MCULE-6613258400 [0,2,0,0,0,0|0,0,2]=4 2257 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C MCULE-1023461283 [0,2,0,0,0,0|1,0,1]=4 2258 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C MCULE-8404158859 [0,2,0,0,0,0|1,0,1]=4 2259 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-5522834072 [0,2,0,0,0,0|0,0,2]=4 2260 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-7069305041 [0,2,0,0,0,0|0,0,2]=4 2261 B11R1.23 COC(=O)[C@H]1CNC[C@@H](C1)C MCULE-8819293670 [0,2,0,0,0,0|0,0,2]=4 2262 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-1230934148 [0,2,0,0,0,0|0,0,2]=4 2263 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-4518893761 [0,2,0,0,0,0|0,0,2]=4 2264 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-6242107437 [0,2,0,0,0,0|0,0,2]=4 2265 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-6759485266 [0,2,0,0,0,0|0,0,2]=4 2266 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-7286083039 [0,2,0,0,0,0|0,0,2]=4 2267 B11R1.23 COC(=O)[C@H]1CNC[C@H](C1)C MCULE-8529284501 [0,2,0,0,0,0|0,0,2]=4 2268 B11R1.222 COC(=O)C1=C(CCCC1)Br MCULE-1869430167 [0,2,0,0,0,0|1,0,0]=3 2269 B11R1.222 COC(=O)C1=C(CCCC1)N MCULE-3139693144 [0,2,0,0,0,0|1,0,0]=3 2270 B11R1.222 COC(=O)C1=C(CCOC1)N MCULE-4855954152 [0,2,0,0,0,0|1,0,0]=3 2271 B11R1.222 COC(=O)C1=C(CNCC1)F MCULE-1662026480 [0,2,0,0,0,0|2,0,0]=4 2272 B11R1.222 COC(=O)C1=C(CNCC1)F MCULE-2572902513 [0,2,0,0,0,0|2,0,0]=4 2273 B11R1.222 COC(=O)C1CCCCC1=O MCULE-4349966830 [0,2,0,0,0,0|1,0,1]=4 2274 B11R1.222 COC(=O)C1CCCNC1C MCULE-4090993645 [0,2,0,0,0,0|0,0,2]=4 2275 B11R1.222 COC(=O)C1CCCNC1C MCULE-4200305359 [0,2,0,0,0,0|0,0,2]=4 2276 B11R1.222 COC(=O)C1CNCCC1=O MCULE-3533971761 [0,2,0,0,0,0|0,0,1]=3 2277 B11R1.222 COC(=O)C1CNCCC1=O MCULE-4815215072 [0,2,0,0,0,0|0,0,1]=3 2278 B11R1.222 COC(=O)C1CNCCC1C MCULE-3273710064 [0,2,0,0,0,0|0,0,2]=4 2279 B11R1.222 COC(=O)C1CNCCC1C MCULE-9474733870 [0,2,0,0,0,0|0,0,2]=4 2280 B11R1.222 COC(=O)C1CNCCC1O MCULE-1087796666 [0,2,0,0,0,0|0,0,2]=4 2281 B11R1.222 COC(=O)C1CNCCC1O MCULE-3371223887 [0,2,0,0,0,0|0,0,2]=4 2282 B11R1.222 COC(=O)C1CNCCN1C MCULE-3204660252 [0,2,0,0,0,0|1,0,1]=4 2283 B11R1.222 COC(=O)C1COCCC1=O MCULE-9088923995 [0,2,0,0,0,0|1,0,1]=4 2284 B11R1.222 COC(=O)C1CSCCC1=O MCULE-2358081361 [0,2,0,0,0,0|1,0,1]=4 2285 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-4860895329 [0,2,0,0,0,0|0,0,2]=4 2286 B11R1.222 COC(=O)[C@@H]1CCCN[C@@H]1C MCULE-8654537084 [0,2,0,0,0,0|0,0,2]=4 2287 B11R1.222 COC(=O)[C@@H]1CCCN[C@H]1C MCULE-7498048591 [0,2,0,0,0,0|0,0,2]=4 2288 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-4956578565 [0,2,0,0,0,0|0,0,2]=4 2289 B11R1.222 COC(=O)[C@@H]1CNCC[C@@H]1C MCULE-6306125390 [0,2,0,0,0,0|0,0,2]=4 2290 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-1098365784 [0,2,0,0,0,0|0,0,2]=4 2291 B11R1.222 COC(=O)[C@@H]1CNCC[C@H]1C MCULE-6581985698 [0,2,0,0,0,0|0,0,2]=4 2292 B11R1.222 COC(=O)[C@@H]1COCCC1=O MCULE-3605218711 [0,2,0,0,0,0|1,0,1]=4 2293 B11R1.222 COC(=O)[C@H]1CCCN[C@@H]1C MCULE-2757355307 [0,2,0,0,0,0|0,0,2]=4 2294 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-3385138275 [0,2,0,0,0,0|0,0,2]=4 2295 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-4359847105 [0,2,0,0,0,0|0,0,2]=4 2296 B11R1.222 COC(=O)[C@H]1CCCN[C@H]1C MCULE-7058619393 [0,2,0,0,0,0|0,0,2]=4 2297 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-7100934081 [0,2,0,0,0,0|0,0,2]=4 2298 B11R1.222 COC(=O)[C@H]1CNCC[C@@H]1C MCULE-9285767505 [0,2,0,0,0,0|0,0,2]=4 2299 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-2607251792 [0,2,0,0,0,0|0,0,2]=4 2300 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3363958778 [0,2,0,0,0,0|0,0,2]=4 2301 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-3805360011 [0,2,0,0,0,0|0,0,2]=4 2302 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1C MCULE-7618725820 [0,2,0,0,0,0|0,0,2]=4 2303 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O MCULE-4220266073 [0,2,0,0,0,0|0,0,2]=4 2304 B11R1.222 COC(=O)[C@H]1CNCC[C@H]1O MCULE-5734890382 [0,2,0,0,0,0|0,0,2]=4 2305 B11R1.878 COC(=O)C1(CCCNC1)C MCULE-2912960772 [0,2,0,0,0,0|0,0,2]=4 2306 B11R1.878 COC(=O)C1(CCCNC1)C MCULE-6748274783 [0,2,0,0,0,0|0,0,2]=4 2307 B11R1.878 COC(=O)C1(CCCNC1)O MCULE-4695147180 [0,2,0,0,0,0|0,0,2]=4 2308 B11R1.878 COC(=O)C1(CCCNC1)O MCULE-7996251761 [0,2,0,0,0,0|0,0,2]=4 2309 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-2710510669 [0,2,0,0,0,0|1,0,1]=4 2310 B11R1.878 COC(=O)C1(CNCCO1)C MCULE-6281859428 [0,2,0,0,0,0|1,0,1]=4 2311 B11R1.53 CCC1=C(CCCO1)C(=O)O MCULE-9099684173 [0,2,0,0,0,0|2,0,0]=4 2312 B11R1.159 O=C(O)C1CCCC(C1=O)Br MCULE-3186177717 [0,2,0,0,0,0|1,0,1]=4 2313 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-6290479918 [0,2,0,0,0,0|1,0,1]=4 2314 B11R1.167 CN1CCN(C(C1)C(=O)O)C MCULE-8670086906 [0,2,0,0,0,0|1,0,1]=4 2315 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-6955851048 [0,2,0,0,0,0|1,0,1]=4 2316 B11R1.167 CN1CCN([C@@H](C1)C(=O)O)C MCULE-7191641614 [0,2,0,0,0,0|1,0,1]=4 2317 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-3765574199 [0,2,0,0,0,0|1,0,1]=4 2318 B11R1.167 CN1CCN([C@H](C1)C(=O)O)C MCULE-6324425972 [0,2,0,0,0,0|1,0,1]=4 2319 B11R1.167 CN1CC[C@H]([C@@H](C1)C(=O)O)O MCULE-3460047813 [0,2,0,0,0,0|0,0,2]=4 2320 B11R1.177 O=C(O)C1CNCCC1(F)F MCULE-1684594912 [0,2,0,0,0,0|0,0,2]=4 2321 B11R1.177 O=C(O)C1CNCCC1(F)F MCULE-4182492143 [0,2,0,0,0,0|0,0,2]=4 2322 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-1120383485 [0,2,0,0,0,0|1,0,1]=4 2323 B11R1.74 CC1CN(CC(O1)C(=O)O)C MCULE-4331152110 [0,2,0,0,0,0|1,0,1]=4 2324 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-6025646187 [0,2,0,0,0,0|0,0,2]=4 2325 B11R1.266 CCN1CCCC(C1)C(=O)O MCULE-9624023787 [0,2,0,0,0,0|0,0,2]=4 2326 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-2517957161 [0,2,0,0,0,0|1,0,1]=4 2327 B11R1.266 CCN1CCOC(C1)C(=O)O MCULE-7367864264 [0,2,0,0,0,0|1,0,1]=4 2328 B11R1.266 O=CN1CCCC(C1)C(=O)O MCULE-9603483269 [0,2,0,0,0,0|0,0,2]=4 2329 B11R1.667 CN1CCCC(C1)(C)C(=O)O MCULE-6176737385 [0,2,0,0,0,0|0,0,2]=4 2330 B11R1.730 CC1(CCC=C(C1)C(=O)O)C MCULE-7732020212 [0,2,0,0,0,0|1,0,0]=3 2331 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-3850941228 [0,2,0,0,0,0|1,0,1]=4 2332 B11R1.730 CC1(CNCC(O1)C(=O)O)C MCULE-4368873526 [0,2,0,0,0,0|1,0,1]=4 2333 B11R1.730 O=C(O)C1=CS(=O)(=O)CCC1 MCULE-2846162271 [0,2,0,0,0,0|2,0,0]=4 2334 B11R1.730 O=C(O)C1CNCC(C1)(F)F MCULE-1061763206 [0,2,0,0,0,0|0,0,2]=4 2335 B11R1.730 O=C(O)C1CNCC(C1)(F)F MCULE-4420284602 [0,2,0,0,0,0|0,0,2]=4 2336 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4082709895 [0,2,0,0,0,0|0,0,2]=4 2337 B11R1.1074 CCC1(CCCNC1)C(=O)O MCULE-4330535403 [0,2,0,0,0,0|0,0,2]=4 2338 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-7763705716 [0,2,0,0,0,0|0,0,2]=4 2339 B11R1.1074 COC1(CCCNC1)C(=O)O MCULE-9595367468 [0,2,0,0,0,0|0,0,2]=4 2340 B9R1.7 CCOC1C=CC(=O)O1 MCULE-4372374333 [0,0,1,1,0,0|2,0,0]=4 2341 B9R1.7 CNCC1=CC=C(O1)Br MCULE-5165242208 [0,0,1,1,0,0|1,0,1]=4 2342 B9R1.7 CNCC1=CC=C(O1)C MCULE-5649725821 [0,0,1,1,0,0|1,0,1]=4 2343 B9R1.7 CNCC1=CC=C(O1)C MCULE-7202024234 [0,0,1,1,0,0|1,0,1]=4 2344 B9R1.7 CNCC1=CC=C(O1)I MCULE-7275457360 [0,0,1,1,0,0|1,0,1]=4 2345 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,0,1,1,0,0|0,0,2]=4 2346 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,0,1,1,0,0|0,0,2]=4 2347 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,0,1,1,0,0|0,0,2]=4 2348 B9R1.13 CC(=O)C=C1CCCC1 MCULE-1647139252 [0,0,1,1,0,0|2,0,0]=4 2349 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [0,0,1,1,0,0|0,0,0]=2 2350 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,0,1,1,0,0|1,0,0]=3 2351 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,0,1,1,0,0|0,0,2]=4 2352 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,0,1,1,0,0|0,0,2]=4 2353 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,0,1,1,0,0|0,0,2]=4 2354 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,0,1,1,0,0|0,0,2]=4 2355 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,0,1,1,0,0|0,0,2]=4 2356 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,0,1,1,0,0|0,0,2]=4 2357 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,0,1,1,0,0|0,0,2]=4 2358 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,0,1,1,0,0|0,0,2]=4 2359 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,0,1,1,0,0|0,0,2]=4 2360 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,0,1,1,0,0|0,0,2]=4 2361 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,0,1,1,0,0|0,0,2]=4 2362 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,0,1,1,0,0|0,0,2]=4 2363 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,0,1,1,0,0|0,0,2]=4 2364 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,0,1,1,0,0|0,0,2]=4 2365 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,0,1,1,0,0|0,0,2]=4 2366 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,0,1,1,0,0|0,0,2]=4 2367 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,0,1,1,0,0|0,0,2]=4 2368 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,0,1,1,0,0|0,0,2]=4 2369 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,0,1,1,0,0|0,0,2]=4 2370 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,0,1,1,0,0|0,0,2]=4 2371 B9R1.50 O=C1C=CCCCCC1 MCULE-8923461119 [0,0,1,1,0,0|2,0,0]=4 2372 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,0,1,1,0,0|1,0,0]=3 2373 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,0,1,1,0,0|1,0,0]=3 2374 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,0,1,1,0,0|0,0,2]=4 2375 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,0,1,1,0,0|1,0,1]=4 2376 B9R1.85 O=C(O)C=CNC1CC1 MCULE-9239525404 [0,0,1,1,0,0|0,0,2]=4 2377 B9R1.85 O=C(O)CCNC1CC1 MCULE-2302148090 [0,0,1,1,0,0|0,0,2]=4 2378 B9R1.85 O=C(O)CCNC1CC1 MCULE-5027011962 [0,0,1,1,0,0|0,0,2]=4 2379 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-1843344905 [0,0,1,1,0,0|1,0,1]=4 2380 B9R1.23 CN1C[C@H](OC1=O)CN MCULE-7113883697 [0,0,1,1,0,0|1,0,1]=4 2381 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,1,1,0,0|0,0,2]=4 2382 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,1,1,0,0|0,0,2]=4 2383 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,1,1,0,0|0,0,2]=4 2384 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,1,1,0,0|0,0,2]=4 2385 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,1,1,0,0|0,0,2]=4 2386 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,0,1,1,0,0|1,0,0]=3 2387 B9R1.110 CC(=C1CCC1)C(=O)O MCULE-8904503252 [0,0,1,1,0,0|1,0,0]=3 2388 B9R1.110 O=C(O)C(=C1CCC1)F MCULE-3335084975 [0,0,1,1,0,0|2,0,0]=4 2389 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,0,1,1,0,0|2,0,0]=4 2390 B9R1.112 C/C(=C\C1CC1)/C(=O)O MCULE-1913340747 [0,0,1,1,0,0|1,0,0]=3 2391 B9R1.112 O=C(O)C(=CC1CC1)F MCULE-7624994357 [0,0,1,1,0,0|2,0,0]=4 2392 B9R1.112 O=C(O)C(=O)CC1CC1 MCULE-2914009662 [0,0,1,1,0,0|2,0,0]=4 2393 B9R1.22 CC1=CC(=C(O1)C)CN MCULE-9036114421 [0,0,1,1,0,0|1,0,1]=4 2394 B9R1.22 CC1=CC(=C(O1)C)CN MCULE-9956422738 [0,0,1,1,0,0|1,0,1]=4 2395 B9R1.33 CNCC1=C(OC=C1)Br MCULE-3764844650 [0,0,1,1,0,0|1,0,1]=4 2396 B9R1.33 CNCC1=C(OC=C1)Br MCULE-6700720065 [0,0,1,1,0,0|1,0,1]=4 2397 B9R1.33 CNCC1=C(OC=C1)C MCULE-9378722524 [0,0,1,1,0,0|1,0,1]=4 2398 B9R1.33 CNCC1=C(ON=C1)C MCULE-6711825843 [0,0,1,1,0,0|2,0,0]=4 2399 B9R1.55 CN1CC(C1=O)C(=O)O MCULE-5592777830 [0,0,1,1,0,0|1,0,1]=4 2400 B9R1.119 CCC1(CNC1)C(=O)O MCULE-8053068489 [0,0,1,1,0,0|0,0,2]=4 2401 B9R1.119 CNC1(CNC1)C(=O)O MCULE-2429867360 [0,0,1,1,0,0|1,0,1]=4 2402 B9R1.119 CNC1(CNC1)C(=O)O MCULE-6668272665 [0,0,1,1,0,0|1,0,1]=4 2403 B9R1.119 COC1(CNC1)C(=O)O MCULE-2037277700 [0,0,1,1,0,0|1,0,1]=4 2404 B9R1.119 COC1(CNC1)C(=O)O MCULE-8524872732 [0,0,1,1,0,0|1,0,1]=4 2405 B9R1.119 NCC1(CCC1)C(=O)O MCULE-3914754838 [0,0,1,1,0,0|0,0,2]=4 2406 B9R1.119 NCC1(CCC1)C(=O)O MCULE-4280814319 [0,0,1,1,0,0|0,0,2]=4 2407 B9R1.179 CNCC1(CC1)C(=O)O MCULE-4156653448 [0,0,1,1,0,0|0,0,2]=4 2408 B9R1.179 CNCC1(CC1)C(=O)O MCULE-7565142951 [0,0,1,1,0,0|0,0,2]=4 2409 B9R2.53 O=C1C2CNCC1C2 MCULE-6394567880 [1,0,0,1,0,0|0,0,2]=4 2410 B9R2.53 O=C1C2CNCC1C2 MCULE-9844003850 [1,0,0,1,0,0|0,0,2]=4 2411 B9R2.7 O=C1CC2C1CNC2 MCULE-7088124346 [0,0,0,1,1,0|1,0,1]=4 2412 B9R2.7 O=C1CC2C1CNC2 MCULE-9132894100 [0,0,0,1,1,0|1,0,1]=4 2413 B9R2.39 C12CNC(C1)C(=O)O2 MCULE-4651135224 [0,0,0,1,1,0|0,0,2]=4 2414 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,1,1,0|1,0,1]=4 2415 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,1,1,0|1,0,1]=4 2416 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,1,1,0|1,0,1]=4 2417 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,1,1,0|1,0,1]=4 2418 B9R2.39 O=C1OC2CNC1C2 MCULE-1081203973 [0,0,0,1,1,0|0,0,2]=4 2419 B9R2.39 O=C1OC2CNC1C2 MCULE-4715019258 [0,0,0,1,1,0|0,0,2]=4 2420 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-1020161730 [0,0,0,1,1,0|0,0,2]=4 2421 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-3837738406 [0,0,0,1,1,0|0,0,2]=4 2422 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 MCULE-6980885310 [0,0,0,1,1,0|0,0,2]=4 2423 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-4857421267 [0,0,0,1,1,0|0,0,2]=4 2424 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-5314520254 [0,0,0,1,1,0|0,0,2]=4 2425 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 MCULE-8592680797 [0,0,0,1,1,0|0,0,2]=4 2426 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,1,1,0|1,0,1]=4 2427 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,1,1,0|0,0,2]=4 2428 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,1,1,0|0,0,1]=3 2429 B11R2.10 BrC1=CC2=C(N1)CCNC2 MCULE-6654597666 [0,0,0,1,0,1|2,0,0]=4 2430 B11R2.10 BrC1=CC2=C(N1)CCNC2 MCULE-9457879130 [0,0,0,1,0,1|2,0,0]=4 2431 B11R2.10 BrC1=CC2=C(S1)CCNC2 MCULE-1145642098 [0,0,0,1,0,1|1,1,0]=4 2432 B11R2.10 BrC1=CC2=C(S1)CCNC2 MCULE-5231200464 [0,0,0,1,0,1|1,1,0]=4 2433 B11R2.10 BrC1=CC2=C(S1)CCNC2 MCULE-6701811016 [0,0,0,1,0,1|1,1,0]=4 2434 B11R2.10 BrC1=CC2=C(S1)CNCC2 MCULE-7028974697 [0,0,0,1,0,1|2,0,0]=4 2435 B11R2.10 BrC1=CC2=C(S1)CNCC2 MCULE-7987512768 [0,0,0,1,0,1|2,0,0]=4 2436 B11R2.10 BrC1=NC2=C(S1)CCNC2 MCULE-4389506678 [0,0,0,1,0,1|1,1,0]=4 2437 B11R2.10 BrC1=NC2=C(S1)CNCC2 MCULE-4666411940 [0,0,0,1,0,1|2,0,0]=4 2438 B11R2.10 BrC1=NC2=C(S1)CNCC2 MCULE-9170214732 [0,0,0,1,0,1|2,0,0]=4 2439 B11R2.10 BrC1=NC2=C(S1)CNCC2 MCULE-9822253524 [0,0,0,1,0,1|2,0,0]=4 2440 B11R2.10 CC1=NC2=C(N1)CNCC2 MCULE-1458111514 [0,0,0,1,0,1|2,0,0]=4 2441 B11R2.10 CC1=NC2=C(N1)CNCC2 MCULE-3575580220 [0,0,0,1,0,1|2,0,0]=4 2442 B11R2.10 CC1=NC2=C(N1)CNCC2 MCULE-5659465929 [0,0,0,1,0,1|2,0,0]=4 2443 B11R2.10 CC1=NC2=C(O1)CCNC2 MCULE-3376028262 [0,0,0,1,0,1|1,0,0]=3 2444 B11R2.10 CC1=NC2=C(O1)CCNC2 MCULE-7671928540 [0,0,0,1,0,1|1,0,0]=3 2445 B11R2.10 CC1=NC2=C(S1)CCNC2 MCULE-6015269059 [0,0,0,1,0,1|1,1,0]=4 2446 B11R2.10 CC1=NC2=C(S1)CCNC2 MCULE-9903965151 [0,0,0,1,0,1|1,1,0]=4 2447 B11R2.10 CC1=NC2=C(S1)CNCC2 MCULE-4644591317 [0,0,0,1,0,1|2,0,0]=4 2448 B11R2.10 CC1=NC2=C(S1)CNCC2 MCULE-8324005823 [0,0,0,1,0,1|2,0,0]=4 2449 B11R2.10 CC1=NC2=C(S1)CNCC2 MCULE-8637424823 [0,0,0,1,0,1|2,0,0]=4 2450 B11R2.10 CC1=NC2=C(S1)CNCC2 MCULE-8795268586 [0,0,0,1,0,1|2,0,0]=4 2451 B11R2.10 ClC1=CC2=C(S1)CCNC2 MCULE-4255455589 [0,0,0,1,0,1|1,1,0]=4 2452 B11R2.10 ClC1=CC2=C(S1)CCNC2 MCULE-5407182582 [0,0,0,1,0,1|1,1,0]=4 2453 B11R2.10 NC1=CC2=C(S1)CCNC2 MCULE-1353951015 [0,0,0,1,0,1|1,1,0]=4 2454 B11R2.10 NC1=CC2=C(S1)CCNC2 MCULE-9189370423 [0,0,0,1,0,1|1,1,0]=4 2455 B11R2.10 NC1=NC2=C(O1)CCCC2 MCULE-7064831467 [0,0,0,1,0,1|2,0,0]=4 2456 B11R2.10 NC1=NC2=C(S1)CNCC2 MCULE-3424691778 [0,0,0,1,0,1|2,0,0]=4 2457 B11R2.10 NC1=NC2=C(S1)CNCC2 MCULE-4591428537 [0,0,0,1,0,1|2,0,0]=4 2458 B11R2.10 NC1=NC2=C(S1)CNCC2 MCULE-6304824561 [0,0,0,1,0,1|2,0,0]=4 2459 B11R2.10 NC1=NC2=C(S1)CNCC2 MCULE-8462559653 [0,0,0,1,0,1|2,0,0]=4 2460 B11R2.10 O=C1C=C2CNCCC2S1 MCULE-3124302392 [0,0,0,1,0,1|0,1,1]=4 2461 B11R2.10 O=C1C=C2CNCCC2S1 MCULE-3424771012 [0,0,0,1,0,1|0,1,1]=4 2462 B11R2.10 O=C1C=C2CNCC[C@@H]2S1 MCULE-3073696114 [0,0,0,1,0,1|0,1,1]=4 2463 B11R2.10 O=C1CC2=C(S1)CCNC2 MCULE-2761878964 [0,0,0,1,0,1|0,1,0]=3 2464 B11R2.10 O=C1NC2=C(N1)CCCC2 MCULE-8718474312 [0,0,0,1,0,1|2,0,0]=4 2465 B11R2.10 O=C1NC2=C(N1)CNCC2 MCULE-5898732346 [0,0,0,1,0,1|1,0,0]=3 2466 B11R2.10 O=C1NC2=C(S1)CCCC2 MCULE-5421869533 [0,0,0,1,0,1|1,1,0]=4 2467 B11R2.10 O=C1NC2=C(S1)CNCC2 MCULE-2651408010 [0,0,0,1,0,1|1,0,0]=3 2468 B11R2.10 O=C1NC2=C(S1)CNCC2 MCULE-8558878617 [0,0,0,1,0,1|1,0,0]=3 2469 B11R2.10 O=C1NC2CNCCC2O1 MCULE-3220248267 [0,0,0,1,0,1|0,0,2]=4 2470 B11R2.10 O=C1NC2CNCCC2O1 MCULE-8049381990 [0,0,0,1,0,1|0,0,2]=4 2471 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 MCULE-5763487129 [0,0,0,1,0,1|0,0,2]=4 2472 B11R2.10 O=C1N[C@H]2CNCC[C@H]2O1 MCULE-7765284819 [0,0,0,1,0,1|0,0,2]=4 2473 B11R2.10 [C@H]12CNCC[C@H]1OC(=O)N2 MCULE-8841468329 [0,0,0,1,0,1|0,0,2]=4 2474 B11R2.10 [C@H]12CNCC[C@H]1OC(=O)N2 MCULE-9597858572 [0,0,0,1,0,1|0,0,2]=4 2475 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-5267201254 [0,0,0,1,0,1|0,0,2]=4 2476 B11R2.824 O=C(O)C1C2CCC1NC2 MCULE-8256228320 [0,0,0,1,0,1|0,0,2]=4 2477 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-7339799108 [0,0,0,1,0,1|0,0,2]=4 2478 B11R2.824 O=C(O)[C@H]1[C@@H]2CC[C@H]1CN2 MCULE-9199699839 [0,0,0,1,0,1|0,0,2]=4 2479 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3123155349 [0,0,0,1,0,1|0,0,2]=4 2480 B11R2.824 [C@H]12CC[C@H]([C@H]1C(=O)O)CN2 MCULE-3672711458 [0,0,0,1,0,1|0,0,2]=4 2481 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-3152609545 [0,0,0,1,0,1|0,0,2]=4 2482 B11R2.1824 O=C(O)C1C2CNCC1C2 MCULE-8515280205 [0,0,0,1,0,1|0,0,2]=4 2483 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-1960768540 [0,0,0,1,0,1|0,0,2]=4 2484 B11R2.813 O=C(O)C12CCNCC1C2 MCULE-9023292994 [0,0,0,1,0,1|0,0,2]=4 2485 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-3253248385 [0,0,0,1,0,1|0,0,2]=4 2486 B11R2.813 O=C(O)C12CNCCC1C2 MCULE-4328236690 [0,0,0,1,0,1|0,0,2]=4 2487 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-5440576235 [0,0,0,1,0,1|0,0,2]=4 2488 B11R2.819 O=C(O)C12CCC1CNC2 MCULE-7903679300 [0,0,0,1,0,1|0,0,2]=4 2489 B11R2.821 [C@@H]12CC[C@@H]([C@@H](C1)N2)C(=O)O MCULE-4969323707 [0,1,0,1,0,0|0,0,2]=4 2490 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-4354063940 [0,1,0,1,0,0|0,0,2]=4 2491 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-8094375931 [0,1,0,1,0,0|0,0,2]=4 2492 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-1269384340 [0,1,0,1,0,0|0,0,2]=4 2493 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-9709707983 [0,1,0,1,0,0|0,0,2]=4 2494 B11R2.1 BrC1=C2CNCCC2=NN1 MCULE-7094518689 [0,1,0,1,0,0|2,0,0]=4 2495 B11R2.1 BrC1=CSC2=C1CNCC2 MCULE-1841772445 [0,1,0,1,0,0|1,1,0]=4 2496 B11R2.1 BrC1=CSC2=C1CNCC2 MCULE-4185826246 [0,1,0,1,0,0|1,1,0]=4 2497 B11R2.1 BrC1=NNC2=C1CNCC2 MCULE-3680256733 [0,1,0,1,0,0|2,0,0]=4 2498 B11R2.1 CC1=NNC2=C1CNCC2 MCULE-5938286180 [0,1,0,1,0,0|2,0,0]=4 2499 B11R2.1 CC1=NNC2=C1CNCC2 MCULE-7113325071 [0,1,0,1,0,0|2,0,0]=4 2500 B11R2.1 CC1=NNC2=C1CNCC2 MCULE-7541922982 [0,1,0,1,0,0|2,0,0]=4 2501 B11R2.1 ClC1=C2CCCCC2=NO1 MCULE-9280375776 [0,1,0,1,0,0|2,0,0]=4 2502 B11R2.1 NC1=C2CCCCC2=NO1 MCULE-9584571258 [0,1,0,1,0,0|2,0,0]=4 2503 B11R2.1 NC1=C2CNCCC2=NO1 MCULE-4354975931 [0,1,0,1,0,0|1,0,0]=3 2504 B11R2.1 NC1=C2CNCCC2=NO1 MCULE-4624838563 [0,1,0,1,0,0|1,0,0]=3 2505 B11R2.1 NC1=NNC2=C1CNCC2 MCULE-3232572872 [0,1,0,1,0,0|2,0,0]=4 2506 B11R2.1 NC1=NNC2=C1CNCC2 MCULE-9354182950 [0,1,0,1,0,0|2,0,0]=4 2507 B11R2.1 NC1=NOC2=C1CCCC2 MCULE-3873236206 [0,1,0,1,0,0|2,0,0]=4 2508 B11R2.1 NC1=NOC2=C1COCC2 MCULE-5342356161 [0,1,0,1,0,0|2,0,0]=4 2509 B11R2.1 O=C1CCC2=C1CCCC2 MCULE-1175519180 [0,1,0,1,0,0|2,0,0]=4 2510 B11R2.1 O=C1NNC2=C1CCCC2 MCULE-8158097098 [0,1,0,1,0,0|2,0,0]=4 2511 B11R2.1 O=C1NNC2=C1CNCC2 MCULE-3824883198 [0,1,0,1,0,0|1,0,0]=3 2512 B11R2.1 O=C1NNC2=C1CNCC2 MCULE-4949338149 [0,1,0,1,0,0|1,0,0]=3 2513 B11R2.1 O=C1NOC2=C1CCNC2 MCULE-7038235366 [0,1,0,1,0,0|2,0,0]=4 2514 B11R2.1 O=C1NOC2=C1CCNC2 MCULE-8440237252 [0,1,0,1,0,0|2,0,0]=4 2515 B11R2.1 O=C1NOC2=C1CNCC2 MCULE-6242367190 [0,1,0,1,0,0|0,0,0]=2 2516 B11R2.1 O=C1OCC2=C1CCCN2 MCULE-1356191286 [0,1,0,1,0,0|0,0,2]=4 2517 B11R2.1 OC1=C2CNCCN2N=C1 MCULE-3478187750 [0,1,0,1,0,0|2,0,0]=4 2518 B11R2.1 OC1=C2CNCCN2N=C1 MCULE-9250265861 [0,1,0,1,0,0|2,0,0]=4 2519 B11R2.1 OC1=NNC2=C1CNCC2 MCULE-6499131367 [0,1,0,1,0,0|1,0,0]=3 2520 B11R2.1 OC1=NOC2=C1CCCC2 MCULE-8148553270 [0,1,0,1,0,0|1,0,1]=4 2521 B11R2.895 COC(=O)C12CNCC1C2 MCULE-6203019351 [0,1,0,1,0,0|0,0,2]=4 2522 B11R2.895 COC(=O)C12CNCC1C2 MCULE-8537344219 [0,1,0,1,0,0|0,0,2]=4 2523 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-4741023802 [0,1,0,1,0,0|0,0,2]=4 2524 B11R2.845 O=C(O)C1CC2CNC1C2 MCULE-8094602403 [0,1,0,1,0,0|0,0,2]=4 2525 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-1943461113 [0,1,0,1,0,0|0,0,2]=4 2526 B11R2.1826 O=C(O)C12CNCC(C1)C2 MCULE-5658280461 [0,1,0,1,0,0|0,0,2]=4 2527 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [1,0,0,0,1,0|1,0,1]=4 2528 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [1,0,0,0,1,0|0,0,2]=4 2529 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [1,0,0,0,1,0|0,0,2]=4 2530 B7R1.1 C=CC1CCNC1 MCULE-7703785367 [1,0,0,0,1,0|1,0,1]=4 2531 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [1,0,0,0,1,0|1,0,1]=4 2532 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [1,0,0,0,1,0|1,0,0]=3 2533 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [1,0,0,0,1,0|1,0,0]=3 2534 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [1,0,0,0,1,0|1,0,1]=4 2535 B7R1.1 COC1=CCCC1 MCULE-6260649761 [1,0,0,0,1,0|2,0,0]=4 2536 B7R1.1 COC1=CCCN1 MCULE-6283476666 [1,0,0,0,1,0|2,0,0]=4 2537 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [1,0,0,0,1,0|1,0,1]=4 2538 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [1,0,0,0,1,0|1,0,1]=4 2539 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [1,0,0,0,1,0|0,0,2]=4 2540 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [1,0,0,0,1,0|0,0,0]=2 2541 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [1,0,0,0,1,0|1,0,0]=3 2542 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [1,0,0,0,1,0|1,0,0]=3 2543 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [1,0,0,0,1,0|1,0,1]=4 2544 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [1,0,0,0,1,0|0,0,2]=4 2545 B7R1.1 O=CC1=CNN=C1 MCULE-4279791999 [1,0,0,0,1,0|1,0,1]=4 2546 B7R1.1 O=CC1=CNN=C1 MCULE-4337494909 [1,0,0,0,1,0|1,0,1]=4 2547 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [1,0,0,0,1,0|1,0,1]=4 2548 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [1,0,0,0,1,0|0,0,2]=4 2549 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [1,0,0,0,1,0|1,0,1]=4 2550 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [1,0,0,0,1,0|0,0,1]=3 2551 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [1,0,0,0,1,0|1,0,1]=4 2552 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [1,0,0,0,1,0|1,0,1]=4 2553 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [1,0,0,0,1,0|1,0,1]=4 2554 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [1,0,0,0,1,0|1,0,1]=4 2555 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [1,0,0,0,1,0|1,0,1]=4 2556 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [1,0,0,0,1,0|0,0,1]=3 2557 B7R1.1 OCC1CCNC1 MCULE-7883947611 [1,0,0,0,1,0|0,0,2]=4 2558 B7R1.1 OCC1CCNC1 MCULE-9689521155 [1,0,0,0,1,0|0,0,2]=4 2559 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [1,0,0,0,1,0|0,0,2]=4 2560 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [1,0,0,0,1,0|0,0,2]=4 2561 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [1,0,0,0,1,0|0,0,2]=4 2562 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [1,0,0,0,1,0|0,0,2]=4 2563 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [1,0,0,0,1,0|0,0,2]=4 2564 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [1,0,0,0,1,0|0,0,2]=4 2565 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [1,0,0,0,1,0|0,0,2]=4 2566 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [1,0,0,0,1,0|0,0,2]=4 2567 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [1,0,0,0,1,0|1,0,1]=4 2568 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,0,2,0|0,0,1]=3 2569 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,0,0,0,2,0|1,0,1]=4 2570 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,0,0,0,2,0|1,0,1]=4 2571 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,0,0,0,2,0|1,0,1]=4 2572 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,0,0,0,2,0|1,0,1]=4 2573 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,0,0,0,2,0|2,0,0]=4 2574 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,0,0,0,2,0|1,0,1]=4 2575 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,0,2,0|1,0,1]=4 2576 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,0,2,0|1,0,1]=4 2577 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,0,0,0,2,0|1,0,1]=4 2578 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,0,0,0,2,0|1,0,1]=4 2579 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,0,0,0,2,0|1,0,1]=4 2580 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,0,0,0,2,0|2,0,0]=4 2581 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,0,2,0|1,0,1]=4 2582 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,0,0,0,2,0|1,0,1]=4 2583 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,0,0,0,2,0|2,0,0]=4 2584 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,0,2,0|0,0,0]=2 2585 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,0,2,0|0,0,1]=3 2586 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,0,2,0|0,0,1]=3 2587 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,0,2,0|0,0,1]=3 2588 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,0,2,0|0,0,1]=3 2589 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,0,2,0|1,0,1]=4 2590 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,0,2,0|1,0,1]=4 2591 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,0,0,0,2,0|0,0,1]=3 2592 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,0,0,0,2,0|0,0,1]=3 2593 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,0,0,0,2,0|1,0,1]=4 2594 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,0,0,0,2,0|1,0,1]=4 2595 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,0,2,0|0,0,1]=3 2596 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,0,2,0|0,0,1]=3 2597 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,0,2,0|0,0,1]=3 2598 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,0,2,0|0,0,1]=3 2599 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,0,2,0|1,0,1]=4 2600 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,0,2,0|1,0,1]=4 2601 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,0,2,0|0,0,1]=3 2602 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,0,2,0|0,0,1]=3 2603 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,0,2,0|0,0,1]=3 2604 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,0,2,0|0,0,1]=3 2605 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,0,2,0|1,0,1]=4 2606 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,0,2,0|1,0,1]=4 2607 B9R1.89 O/N=C/1\CCCNCC1 MCULE-1287556104 [1,0,0,0,0,1|1,0,1]=4 2608 B9R1.89 O=CC1=CCCCCC1 MCULE-8414068028 [1,0,0,0,0,1|1,0,0]=3 2609 B9R1.89 O=CN1CCCNCC1 MCULE-3436524888 [1,0,0,0,0,1|1,0,1]=4 2610 B11R1.91 O=C(O)/C=C/C1=CCCCC1 MCULE-1174819409 [0,0,0,0,0,2|1,0,0]=3 2611 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-1364265807 [0,0,0,0,0,2|0,0,2]=4 2612 B11R1.91 O=C(O)C#CC1CCCNC1 MCULE-8856789307 [0,0,0,0,0,2|0,0,2]=4 2613 B11R1.91 O=C(O)C=CC1=CCCCC1 MCULE-5190014235 [0,0,0,0,0,2|1,0,0]=3 2614 B11R1.91 O=C(O)CCC1=CCCCC1 MCULE-1237781222 [0,0,0,0,0,2|1,0,0]=3 2615 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-7924528861 [0,0,0,0,0,2|0,0,2]=4 2616 B11R1.91 O=C(O)CCC1CCCNC1 MCULE-8138582183 [0,0,0,0,0,2|0,0,2]=4 2617 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-1513049995 [0,0,0,0,0,2|1,0,1]=4 2618 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-4856628745 [0,0,0,0,0,2|1,0,1]=4 2619 B11R1.91 O=C(O)CCC1CNCCN1 MCULE-8947965996 [0,0,0,0,0,2|1,0,1]=4 2620 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-4290804660 [0,0,0,0,0,2|1,0,1]=4 2621 B11R1.91 O=C(O)CCC1CNCCO1 MCULE-8003417383 [0,0,0,0,0,2|1,0,1]=4 2622 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1561801705 [0,0,0,0,0,2|1,0,1]=4 2623 B11R1.91 O=C(O)CC[C@@H]1CNCCO1 MCULE-1829190625 [0,0,0,0,0,2|1,0,1]=4 2624 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-4904929048 [0,0,0,0,0,2|1,0,1]=4 2625 B11R1.91 O=C(O)CC[C@H]1CNCCO1 MCULE-9655711335 [0,0,0,0,0,2|1,0,1]=4 2626 B11R1.91 O=C(O)CNC1=NCCCC1 MCULE-3814369220 [0,0,0,0,0,2|2,0,0]=4 2627 B11R1.742 O=C(O)C=C1CCCCCC1 MCULE-5228387881 [0,0,0,0,0,2|1,0,1]=4 2628 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-1259156999 [0,0,0,0,0,2|0,0,2]=4 2629 B11R1.742 O=C(O)CC1CCCNCC1 MCULE-8862658650 [0,0,0,0,0,2|0,0,2]=4 2630 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-7410717770 [0,0,0,0,0,2|1,0,1]=4 2631 B11R1.742 O=C(O)CN1CCCNCC1 MCULE-8199207666 [0,0,0,0,0,2|1,0,1]=4