0 B10R1.13 C=C(C)C1=CC=C(CC1)C MCULE-8568677604 [0,0,0,0,0,0|1,0,2]=3 1 B10R1.13 C=C(C)C1CC=C(CC1)C MCULE-2462317444 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C MCULE-5992544838 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.13 C=C(C)[C@@H]1CC=C(CC1)C MCULE-6736529827 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.13 C=C(C)[C@H]1C=C[C@@H](CC1)C MCULE-4843276428 [0,0,0,0,0,0|1,0,2]=3 5 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C MCULE-1385130554 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.13 C=C(C)[C@H]1CC=C(CC1)C MCULE-7380592285 [0,0,0,0,0,0|1,0,0]=1 7 B10R1.13 C=C1C=CC(CC1)C(C)C MCULE-3969034493 [0,0,0,0,0,0|1,0,3]=4 8 B10R1.13 C=C1CCC(CC1)C(=O)O MCULE-9520777832 [0,0,0,0,0,0|1,0,2]=3 9 B10R1.13 C=C1CCN(CC1)C(=O)C MCULE-2270885590 [0,0,0,0,0,0|1,0,2]=3 10 B10R1.13 CC(=C1CC=C(CC1)Br)C MCULE-8162525678 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 CC(=C1CCC(=O)CC1)C MCULE-1974192999 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.13 CC(=O)C1=CC=C(C=C1)C MCULE-5591471266 [0,0,0,0,0,0|0,0,4]=4 13 B10R1.13 CC(=O)C1=CC=C(C=N1)C MCULE-1634530394 [0,0,0,0,0,0|1,0,3]=4 14 B10R1.13 CC(=O)C1=CC=C(CC1)C MCULE-6088214601 [0,0,0,0,0,0|0,0,2]=2 15 B10R1.13 CC(=O)C1=CC=C(N=N1)C MCULE-9005008495 [0,0,0,0,0,0|2,0,2]=4 16 B10R1.13 CC(=O)C1=CCN(CC1)C MCULE-2033609377 [0,0,0,0,0,0|1,0,3]=4 17 B10R1.13 CC(=O)C1=CN=C(C=C1)C MCULE-1797172168 [0,0,0,0,0,0|1,0,3]=4 18 B10R1.13 CC(=O)C1=NC=C(C=C1)C MCULE-9958857187 [0,0,0,0,0,0|1,0,3]=4 19 B10R1.13 CC(=O)C1=NC=C(C=N1)C MCULE-3645308031 [0,0,0,0,0,0|2,0,2]=4 20 B10R1.13 CC(=O)C1=NC=C(N=C1)C MCULE-7883967206 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.13 CC(=O)C1CC=C(CC1)Br MCULE-8615852716 [0,0,0,0,0,0|1,0,0]=1 22 B10R1.13 CC(=O)C1CC=C(CC1)C MCULE-3149377803 [0,0,0,0,0,0|0,0,0]=0 23 B10R1.13 CC(=O)C1CCC(CC1)C MCULE-6102529388 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.13 CC(=O)C1CCC(CC1)N MCULE-1009720315 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.13 CC(=O)C1CCC(CC1)N MCULE-5617448654 [0,0,0,0,0,0|1,0,2]=3 26 B10R1.13 CC(=O)C1CCC(CC1)O MCULE-8384212790 [0,0,0,0,0,0|1,0,2]=3 27 B10R1.13 CC(=O)C1CCN(CC1)C MCULE-8004082884 [0,0,0,0,0,0|1,0,1]=2 28 B10R1.13 CC(=O)N1CCC(=O)CC1 MCULE-4679585330 [0,0,0,0,0,0|2,0,1]=3 29 B10R1.13 CC(=O)N1CCC(CC1)Br MCULE-7581602454 [0,0,0,0,0,0|2,0,2]=4 30 B10R1.13 CC(=O)N1CCC(CC1)C MCULE-9452710468 [0,0,0,0,0,0|1,0,2]=3 31 B10R1.13 CC(=O)N1CCC(CC1)Cl MCULE-5276244903 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.13 CC(=O)N1CCC(CC1)I MCULE-1480854820 [0,0,0,0,0,0|2,0,2]=4 33 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-3741121628 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-5857549421 [0,0,0,0,0,0|2,0,2]=4 35 B10R1.13 CC(=O)N1CCC(CC1)N MCULE-6409788828 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.13 CC(=O)N1CCC(CC1)O MCULE-8657432815 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.13 CC(=O)N1CCN(CC1)C MCULE-8901659877 [0,0,0,0,0,0|2,0,1]=3 38 B10R1.13 CC(=O)N1CCN(CC1)C MCULE-9588311278 [0,0,0,0,0,0|2,0,1]=3 39 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C MCULE-1016150505 [0,0,0,0,0,0|0,0,2]=2 40 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N MCULE-6674769937 [0,0,0,0,0,0|1,0,2]=3 41 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)N MCULE-7289775544 [0,0,0,0,0,0|1,0,2]=3 42 B10R1.13 CC(C)C1C=CC(=O)CC1 MCULE-4237895406 [0,0,0,0,0,0|2,0,2]=4 43 B10R1.13 CC(C)C1CCC(=O)CC1 MCULE-7925318933 [0,0,0,0,0,0|2,0,2]=4 44 B10R1.13 CC(C)[C@@H]1C=CC(=O)CC1 MCULE-7627894901 [0,0,0,0,0,0|2,0,2]=4 45 B10R1.13 CC(C)[C@H]1CC[C@H](CC1)C MCULE-5068842501 [0,0,0,0,0,0|1,0,3]=4 46 B10R1.13 CC(N)C1CCN(CC1)C MCULE-7518426678 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.13 CC(N)C1CCN(CC1)C MCULE-8691810820 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.13 CC(O)C1CCN(CC1)C MCULE-2314479531 [0,0,0,0,0,0|1,0,3]=4 49 B10R1.13 CC1=CC=C(CC1)C(C)C MCULE-4783923707 [0,0,0,0,0,0|1,0,3]=4 50 B10R1.13 CC1=CCC(=C(C)C)CC1 MCULE-7193214900 [0,0,0,0,0,0|1,0,1]=2 51 B10R1.13 CC1=CCC(=CC1)C(=O)O MCULE-6201411165 [0,0,0,0,0,0|1,0,2]=3 52 B10R1.13 CC1=CCC(=CC1)C(C)C MCULE-7972715698 [0,0,0,0,0,0|1,0,3]=4 53 B10R1.13 CC1=CCC(C=C1)C(C)C MCULE-8908736740 [0,0,0,0,0,0|1,0,3]=4 54 B10R1.13 CC1=CCC(CC1)C(=O)O MCULE-8997751425 [0,0,0,0,0,0|1,0,0]=1 55 B10R1.13 CC1=CCC(CN1)C(=O)O MCULE-6736360947 [0,0,0,0,0,0|2,0,0]=2 56 B10R1.13 CC1=CC[C@@H](C=C1)C(C)C MCULE-4564392169 [0,0,0,0,0,0|1,0,3]=4 57 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7463586312 [0,0,0,0,0,0|1,0,1]=2 58 B10R1.13 CC1=CC[C@@H](CC1)C(C)C MCULE-7712751868 [0,0,0,0,0,0|1,0,1]=2 59 B10R1.13 CC1CCC(CC1)C(=O)Cl MCULE-4812590612 [0,0,0,0,0,0|1,0,2]=3 60 B10R1.13 CC1CCC(CC1)C(=O)O MCULE-3225182334 [0,0,0,0,0,0|1,0,2]=3 61 B10R1.13 CC1CCC(CC1)C(C)C MCULE-9106224227 [0,0,0,0,0,0|1,0,3]=4 62 B10R1.13 CC1CCC(CN1)C(=O)N MCULE-7780455991 [0,0,0,0,0,0|2,0,1]=3 63 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-3840727873 [0,0,0,0,0,0|2,0,1]=3 64 B10R1.13 CC1CCC(CN1)C(=O)O MCULE-5946890830 [0,0,0,0,0,0|2,0,1]=3 65 B10R1.13 CC1CCC(CN1)C(C)C MCULE-4518562235 [0,0,0,0,0,0|2,0,2]=4 66 B10R1.13 CC1CCC(CO1)C(=O)O MCULE-6526905782 [0,0,0,0,0,0|2,0,1]=3 67 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-2912599846 [0,0,0,0,0,0|2,0,2]=4 68 B10R1.13 CC1CCC(NC1)C(=O)O MCULE-3297162881 [0,0,0,0,0,0|2,0,2]=4 69 B10R1.13 CC1CCN(CC1)C(=O)Cl MCULE-7961285873 [0,0,0,0,0,0|2,0,2]=4 70 B10R1.13 CC1COC(CN1)C(=O)O MCULE-7809709557 [0,0,0,0,0,0|3,0,1]=4 71 B10R1.13 CN(C)C1CCC(=O)CC1 MCULE-1626492244 [0,0,0,0,0,0|3,0,1]=4 72 B10R1.13 CN(C)C1CCC(=O)CC1 MCULE-3483883668 [0,0,0,0,0,0|3,0,1]=4 73 B10R1.13 CN1CCC(CC1)C(=O)Cl MCULE-5321418776 [0,0,0,0,0,0|2,0,1]=3 74 B10R1.13 CN1CCC(CC1)C(=O)Cl MCULE-7254009533 [0,0,0,0,0,0|2,0,1]=3 75 B10R1.13 CN1CCC(CC1)C(=O)N MCULE-2029707277 [0,0,0,0,0,0|2,0,1]=3 76 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-1330176845 [0,0,0,0,0,0|2,0,1]=3 77 B10R1.13 CN1CCC(CC1)C(=O)O MCULE-2860414660 [0,0,0,0,0,0|2,0,1]=3 78 B10R1.13 CN1CCN(CC1)C(=O)Cl MCULE-1391184075 [0,0,0,0,0,0|3,0,1]=4 79 B10R1.13 CN1CCN(CC1)C(=O)Cl MCULE-7075332753 [0,0,0,0,0,0|3,0,1]=4 80 B10R1.13 CN1CCN(CC1)C(=O)O MCULE-3645740759 [0,0,0,0,0,0|3,0,1]=4 81 B10R1.13 CN1CCN(CC1)C(=O)O MCULE-3916839663 [0,0,0,0,0,0|3,0,1]=4 82 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O MCULE-8843664488 [0,0,0,0,0,0|2,0,1]=3 83 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2204464981 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-2225073323 [0,0,0,0,0,0|2,0,1]=3 85 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-3036379148 [0,0,0,0,0,0|2,0,1]=3 86 B10R1.13 C[C@@H]1CC[C@H](CN1)C(=O)O MCULE-9649426657 [0,0,0,0,0,0|2,0,1]=3 87 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-8093925660 [0,0,0,0,0,0|3,0,1]=4 88 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O MCULE-9603514021 [0,0,0,0,0,0|3,0,1]=4 89 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)Cl MCULE-2231388476 [0,0,0,0,0,0|1,0,2]=3 90 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)N MCULE-9668889856 [0,0,0,0,0,0|1,0,2]=3 91 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O MCULE-3272652270 [0,0,0,0,0,0|1,0,2]=3 92 B10R1.13 C[C@H]1CC[C@@H](CN1)C(=O)O MCULE-6340569413 [0,0,0,0,0,0|2,0,1]=3 93 B10R1.13 C[C@H]1CC[C@H](CC1)C(=O)O MCULE-7434442752 [0,0,0,0,0,0|1,0,2]=3 94 B10R1.13 C[C@H]1CC[C@H](CN1)C(=O)O MCULE-3955685184 [0,0,0,0,0,0|2,0,1]=3 95 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-4706739993 [0,0,0,0,0,0|3,0,1]=4 96 B10R1.13 C[C@H]1CN[C@@H](CO1)C(=O)O MCULE-9210189761 [0,0,0,0,0,0|3,0,1]=4 97 B10R1.13 NC(=O)C1CCC(=O)CC1 MCULE-8335948190 [0,0,0,0,0,0|2,0,1]=3 98 B10R1.13 NC(=O)C1CCC(CC1)N MCULE-4469475065 [0,0,0,0,0,0|2,0,2]=4 99 B10R1.13 NC(=O)C1CCC(CC1)N MCULE-4892039405 [0,0,0,0,0,0|2,0,2]=4 100 B10R1.13 NC(=O)C1CCC(CC1)O MCULE-9699134683 [0,0,0,0,0,0|2,0,2]=4 101 B10R1.13 NC(=O)N1CCC(=O)CC1 MCULE-3885416966 [0,0,0,0,0,0|3,0,1]=4 102 B10R1.13 NC(=O)[C@H]1CC[C@@H](CC1)O MCULE-6564995524 [0,0,0,0,0,0|2,0,2]=4 103 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N MCULE-1727204707 [0,0,0,0,0,0|2,0,2]=4 104 B10R1.13 NC(=O)[C@H]1CC[C@H](CC1)N MCULE-4007102653 [0,0,0,0,0,0|2,0,2]=4 105 B10R1.13 NC1=NCC(CN1)C(=O)O MCULE-5846461385 [0,0,0,0,0,0|4,0,0]=4 106 B10R1.13 NC1=NCC(CN1)C(=O)O MCULE-7792293428 [0,0,0,0,0,0|4,0,0]=4 107 B10R1.13 NC1CCC(CC1)C(=O)Cl MCULE-4909714198 [0,0,0,0,0,0|2,0,2]=4 108 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-6722954971 [0,0,0,0,0,0|2,0,2]=4 109 B10R1.13 NC1CCC(CC1)C(=O)O MCULE-9273524734 [0,0,0,0,0,0|2,0,2]=4 110 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-5282665037 [0,0,0,0,0,0|2,0,2]=4 111 B10R1.13 N[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8647828626 [0,0,0,0,0,0|2,0,2]=4 112 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-1388612667 [0,0,0,0,0,0|2,0,2]=4 113 B10R1.13 N[C@H]1CC[C@H](CC1)C(=O)O MCULE-8724032546 [0,0,0,0,0,0|2,0,2]=4 114 B10R1.13 O=C(Cl)C1CCC(CC1)O MCULE-9104583730 [0,0,0,0,0,0|2,0,2]=4 115 B10R1.13 O=C(O)C1CC=C(CC1)Br MCULE-3957085478 [0,0,0,0,0,0|2,0,0]=2 116 B10R1.13 O=C(O)C1CC=C(CC1)F MCULE-5924974191 [0,0,0,0,0,0|2,0,0]=2 117 B10R1.13 O=C(O)C1CCC(CC1)Br MCULE-4952970959 [0,0,0,0,0,0|2,0,2]=4 118 B10R1.13 O=C(O)C1CCC(CC1)Cl MCULE-9596975674 [0,0,0,0,0,0|2,0,2]=4 119 B10R1.13 O=C(O)C1CCC(CC1)F MCULE-8237318279 [0,0,0,0,0,0|2,0,2]=4 120 B10R1.13 O=C(O)C1CCC(CC1)O MCULE-2480420127 [0,0,0,0,0,0|2,0,2]=4 121 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)F MCULE-9036564869 [0,0,0,0,0,0|2,0,2]=4 122 B10R1.13 O=C(O)[C@H]1CC[C@@H](CC1)O MCULE-6625595981 [0,0,0,0,0,0|2,0,2]=4 123 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)F MCULE-1112147502 [0,0,0,0,0,0|2,0,2]=4 124 B10R1.13 O=C(O)[C@H]1CC[C@H](CC1)O MCULE-5519058025 [0,0,0,0,0,0|2,0,2]=4 125 B10R1.13 O=C1CCC(CC1)C(=O)Cl MCULE-9307268152 [0,0,0,0,0,0|2,0,1]=3 126 B10R1.13 O=C1CCC(CC1)C(=O)O MCULE-3268045048 [0,0,0,0,0,0|2,0,1]=3 127 B10R1.13 O=C1CCC(CN1)C(=O)O MCULE-9788917215 [0,0,0,0,0,0|3,0,0]=3 128 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-4067834062 [0,0,0,0,0,0|3,0,1]=4 129 B10R1.13 O=C1CCC(NC1)C(=O)O MCULE-8147757527 [0,0,0,0,0,0|3,0,1]=4 130 B10R1.13 O=C1CCN(CC1)C(=O)Cl MCULE-2916786260 [0,0,0,0,0,0|3,0,1]=4 131 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-3191286949 [0,0,0,0,0,0|3,0,0]=3 132 B10R1.13 O=C1CC[C@@H](CN1)C(=O)O MCULE-9692186311 [0,0,0,0,0,0|3,0,0]=3 133 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-4350301488 [0,0,0,0,0,0|3,0,1]=4 134 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-6122427477 [0,0,0,0,0,0|3,0,1]=4 135 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-7864506900 [0,0,0,0,0,0|3,0,1]=4 136 B10R1.13 O=C1CC[C@@H](NC1)C(=O)O MCULE-8690683788 [0,0,0,0,0,0|3,0,1]=4 137 B10R1.13 O=C1CC[C@H](CN1)C(=O)O MCULE-6590332785 [0,0,0,0,0,0|3,0,0]=3 138 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-2845724258 [0,0,0,0,0,0|3,0,1]=4 139 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-4534690891 [0,0,0,0,0,0|3,0,1]=4 140 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-5755683417 [0,0,0,0,0,0|3,0,1]=4 141 B10R1.13 O=C1CC[C@H](NC1)C(=O)O MCULE-6015971784 [0,0,0,0,0,0|3,0,1]=4 142 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-1011618274 [0,0,0,0,0,0|4,0,0]=4 143 B10R1.13 O=C1CNC(CN1)C(=O)O MCULE-9345081526 [0,0,0,0,0,0|4,0,0]=4 144 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-1270509503 [0,0,0,0,0,0|4,0,0]=4 145 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-5912128916 [0,0,0,0,0,0|4,0,0]=4 146 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-6974754540 [0,0,0,0,0,0|4,0,0]=4 147 B10R1.13 O=C1CN[C@@H](CN1)C(=O)O MCULE-9137341829 [0,0,0,0,0,0|4,0,0]=4 148 B10R1.13 O=C1CN[C@H](CN1)C(=O)O MCULE-8928326150 [0,0,0,0,0,0|4,0,0]=4 149 B9R1.1 C=C[C@H]1CC[C@@H](CC1)C MCULE-5121440754 [1,0,0,0,0,0|0,0,3]=4 150 B9R1.1 CC1=CCC(CC1)C=O MCULE-5534930691 [1,0,0,0,0,0|0,0,0]=1 151 B9R1.1 CC1=CCC(CC1)CO MCULE-6377131123 [1,0,0,0,0,0|0,0,2]=3 152 B9R1.1 CC1CCC(CC1)C=O MCULE-9251304568 [1,0,0,0,0,0|0,0,2]=3 153 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [1,0,0,0,0,0|1,0,2]=4 154 B9R1.1 CCC1CCC(CC1)C MCULE-2653372010 [1,0,0,0,0,0|0,0,3]=4 155 B9R1.1 CCC1CCC(NC1)C MCULE-9037446160 [1,0,0,0,0,0|1,0,2]=4 156 B9R1.1 CN1CCC(CC1)C=O MCULE-8279393086 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.1 CN1CCC(CC1)C=O MCULE-9128415748 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.1 CN1CCN(CC1)C=O MCULE-7504231967 [1,0,0,0,0,0|2,0,1]=4 159 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [1,0,0,0,0,0|2,0,1]=4 161 B9R1.1 CNC1CCC(CC1)C MCULE-6239587317 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.1 CNC1CCN(CC1)C MCULE-1290128506 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.1 CNC1CCN(CC1)C MCULE-3900966329 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.1 CN[C@H]1CC[C@@H](CC1)C MCULE-7736797442 [1,0,0,0,0,0|1,0,2]=4 165 B9R1.1 CN[C@H]1CC[C@@H](CC1)C MCULE-9400644211 [1,0,0,0,0,0|1,0,2]=4 166 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [1,0,0,0,0,0|2,0,1]=4 167 B9R1.1 COC1CCC(CC1)C MCULE-7339052202 [1,0,0,0,0,0|1,0,2]=4 168 B9R1.1 COC1CCC(NC1)C MCULE-9387169751 [1,0,0,0,0,0|2,0,1]=4 169 B9R1.1 C[C@H]1CC[C@@H](CC1)C=O MCULE-9199101836 [1,0,0,0,0,0|0,0,2]=3 170 B9R1.1 O=CC1CCC(=O)CC1 MCULE-3607149578 [1,0,0,0,0,0|1,0,1]=3 171 B9R1.1 O=CC1CCC(CC1)F MCULE-3555774319 [1,0,0,0,0,0|1,0,2]=4 172 B9R1.1 O=CN1CCC(=O)CC1 MCULE-8700120367 [1,0,0,0,0,0|2,0,1]=4 173 B9R1.6 C1(CC=CCC1)C(=O)O MCULE-7139174666 [1,0,0,0,0,0|1,0,0]=2 174 B9R1.6 C1(CCCNC1)C(=O)N MCULE-1974021716 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.6 C1(CCCNC1)C(=O)N MCULE-3484822743 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.6 C1(CCCNC1)C(=O)O MCULE-5804171064 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.6 CC(=O)C1CCCCC1 MCULE-3582349091 [1,0,0,0,0,0|0,0,2]=3 178 B9R1.6 CC(=O)C1CCCCN1 MCULE-2854776557 [1,0,0,0,0,0|1,0,2]=4 179 B9R1.6 CC(=O)C1CCCCN1 MCULE-7483298696 [1,0,0,0,0,0|1,0,2]=4 180 B9R1.6 CC(=O)C1CCCCO1 MCULE-6292051941 [1,0,0,0,0,0|1,0,2]=4 181 B9R1.6 CC(=O)C1CCCNC1 MCULE-5048287619 [1,0,0,0,0,0|1,0,1]=3 182 B9R1.6 CC(=O)C1CCCNC1 MCULE-7308448482 [1,0,0,0,0,0|1,0,1]=3 183 B9R1.6 CC(=O)C1CCCOC1 MCULE-8355092375 [1,0,0,0,0,0|1,0,1]=3 184 B9R1.6 CC(=O)C1CCNCC1 MCULE-5629644359 [1,0,0,0,0,0|1,0,1]=3 185 B9R1.6 CC(=O)C1CCNCC1 MCULE-7994490746 [1,0,0,0,0,0|1,0,1]=3 186 B9R1.6 CC(=O)C1CCOCC1 MCULE-4829713073 [1,0,0,0,0,0|1,0,1]=3 187 B9R1.6 CC(=O)C1CCSCC1 MCULE-1825777359 [1,0,0,0,0,0|1,0,1]=3 188 B9R1.6 CC(=O)C1CNCCO1 MCULE-1332213026 [1,0,0,0,0,0|2,0,1]=4 189 B9R1.6 CC(=O)C1CNCCO1 MCULE-8599628301 [1,0,0,0,0,0|2,0,1]=4 190 B9R1.6 CC(=O)C1COCCO1 MCULE-5168266299 [1,0,0,0,0,0|2,0,1]=4 191 B9R1.6 CC(=O)N1CCCCC1 MCULE-2376049669 [1,0,0,0,0,0|1,0,2]=4 192 B9R1.6 CC(=O)N1CCCNC1 MCULE-1504945403 [1,0,0,0,0,0|2,0,1]=4 193 B9R1.6 CC(=O)N1CCNCC1 MCULE-6090938298 [1,0,0,0,0,0|2,0,1]=4 194 B9R1.6 CC(=O)N1CCNCC1 MCULE-6273641444 [1,0,0,0,0,0|2,0,1]=4 195 B9R1.6 CC(=O)N1CCOCC1 MCULE-8135519320 [1,0,0,0,0,0|2,0,1]=4 196 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-6225629414 [1,0,0,0,0,0|1,0,2]=4 197 B9R1.6 CC(=O)[C@@H]1CCCCN1 MCULE-9308955565 [1,0,0,0,0,0|1,0,2]=4 198 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6405789728 [1,0,0,0,0,0|1,0,2]=4 199 B9R1.6 CC(=O)[C@H]1CCCCN1 MCULE-6966774576 [1,0,0,0,0,0|1,0,2]=4 200 B9R1.6 CS(=O)C1CCCCC1 MCULE-4263908685 [1,0,0,0,0,0|1,0,2]=4 201 B9R1.6 N=C(N)C1CC=CCC1 MCULE-5710970221 [1,0,0,0,0,0|2,0,0]=3 202 B9R1.6 N=C(N)C1CC=CCC1 MCULE-9208549422 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.6 NC(=O)C1CC=CCC1 MCULE-5613786218 [1,0,0,0,0,0|1,0,0]=2 204 B9R1.6 NC(=O)C1CCCCC1 MCULE-8611311863 [1,0,0,0,0,0|1,0,2]=4 205 B9R1.6 NC(=O)C1CCCNC1 MCULE-1833696438 [1,0,0,0,0,0|2,0,1]=4 206 B9R1.6 NC(=O)C1CCCNC1 MCULE-5902080067 [1,0,0,0,0,0|2,0,1]=4 207 B9R1.6 NC(=O)C1CCCOC1 MCULE-3754898627 [1,0,0,0,0,0|2,0,1]=4 208 B9R1.6 NC(=O)C1CCNCC1 MCULE-8206211805 [1,0,0,0,0,0|2,0,1]=4 209 B9R1.6 NC(=O)C1CCNCC1 MCULE-8840746533 [1,0,0,0,0,0|2,0,1]=4 210 B9R1.6 NC(=O)C1CCOCC1 MCULE-1626473774 [1,0,0,0,0,0|2,0,1]=4 211 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-1302948446 [1,0,0,0,0,0|2,0,1]=4 212 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-3790099707 [1,0,0,0,0,0|2,0,1]=4 213 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-4105759578 [1,0,0,0,0,0|2,0,1]=4 214 B9R1.6 NC(=O)[C@@H]1CCCNC1 MCULE-6022899132 [1,0,0,0,0,0|2,0,1]=4 215 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-3568267883 [1,0,0,0,0,0|2,0,1]=4 216 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-6403292667 [1,0,0,0,0,0|2,0,1]=4 217 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-7433087477 [1,0,0,0,0,0|2,0,1]=4 218 B9R1.6 NC(=O)[C@H]1CCCNC1 MCULE-9069766695 [1,0,0,0,0,0|2,0,1]=4 219 B9R1.6 O=C(Cl)C1CC=CCC1 MCULE-2173469232 [1,0,0,0,0,0|1,0,0]=2 220 B9R1.6 O=C(Cl)C1CCCCC1 MCULE-5867897390 [1,0,0,0,0,0|1,0,2]=4 221 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-6549888109 [1,0,0,0,0,0|2,0,1]=4 222 B9R1.6 O=C(Cl)C1CCNCC1 MCULE-7154842850 [1,0,0,0,0,0|2,0,1]=4 223 B9R1.6 O=C(Cl)C1CCOCC1 MCULE-5435965006 [1,0,0,0,0,0|2,0,1]=4 224 B9R1.6 O=C(Cl)C1CCSCC1 MCULE-2089111376 [1,0,0,0,0,0|2,0,1]=4 225 B9R1.6 O=C(Cl)N1CC=CCC1 MCULE-3457683223 [1,0,0,0,0,0|2,0,0]=3 226 B9R1.6 O=C(O)C1C=CCCC1 MCULE-7827178223 [1,0,0,0,0,0|1,0,2]=4 227 B9R1.6 O=C(O)C1CC=CCC1 MCULE-6262725586 [1,0,0,0,0,0|1,0,0]=2 228 B9R1.6 O=C(O)C1CC=CCO1 MCULE-5751437850 [1,0,0,0,0,0|2,0,0]=3 229 B9R1.6 O=C(O)C1CCC=CO1 MCULE-6447977583 [1,0,0,0,0,0|2,0,0]=3 230 B9R1.6 O=C(O)C1CCCCC1 MCULE-2193918964 [1,0,0,0,0,0|1,0,2]=4 231 B9R1.6 O=C(O)C1CCCNC1 MCULE-3189529983 [1,0,0,0,0,0|2,0,1]=4 232 B9R1.6 O=C(O)C1CCCNC1 MCULE-5698100100 [1,0,0,0,0,0|2,0,1]=4 233 B9R1.6 O=C(O)C1CCCNC1 MCULE-9486003126 [1,0,0,0,0,0|2,0,1]=4 234 B9R1.6 O=C(O)C1CCCOC1 MCULE-3431951803 [1,0,0,0,0,0|2,0,1]=4 235 B9R1.6 O=C(O)C1CCCSC1 MCULE-1777528306 [1,0,0,0,0,0|2,0,1]=4 236 B9R1.6 O=C(O)C1CCNCC1 MCULE-5699874022 [1,0,0,0,0,0|2,0,1]=4 237 B9R1.6 O=C(O)C1CCNCC1 MCULE-7477545245 [1,0,0,0,0,0|2,0,1]=4 238 B9R1.6 O=C(O)C1CCOCC1 MCULE-4725122837 [1,0,0,0,0,0|2,0,1]=4 239 B9R1.6 O=C(O)C1CCSCC1 MCULE-5031108601 [1,0,0,0,0,0|2,0,1]=4 240 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-1597942572 [1,0,0,0,0,0|1,0,0]=2 241 B9R1.6 O=C(O)[C@@H]1CC=CCC1 MCULE-6215840629 [1,0,0,0,0,0|1,0,0]=2 242 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-3206278693 [1,0,0,0,0,0|2,0,1]=4 243 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-5509362549 [1,0,0,0,0,0|2,0,1]=4 244 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-8357747886 [1,0,0,0,0,0|2,0,1]=4 245 B9R1.6 O=C(O)[C@@H]1CCCNC1 MCULE-9156802088 [1,0,0,0,0,0|2,0,1]=4 246 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-8270310960 [1,0,0,0,0,0|2,0,1]=4 247 B9R1.6 O=C(O)[C@@H]1CCCOC1 MCULE-9211958407 [1,0,0,0,0,0|2,0,1]=4 248 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-5009469360 [1,0,0,0,0,0|1,0,0]=2 249 B9R1.6 O=C(O)[C@H]1CC=CCC1 MCULE-9797420475 [1,0,0,0,0,0|1,0,0]=2 250 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-5644771403 [1,0,0,0,0,0|2,0,1]=4 251 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-6473613352 [1,0,0,0,0,0|2,0,1]=4 252 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-7395918259 [1,0,0,0,0,0|2,0,1]=4 253 B9R1.6 O=C(O)[C@H]1CCCNC1 MCULE-8202628107 [1,0,0,0,0,0|2,0,1]=4 254 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-3913162278 [1,0,0,0,0,0|2,0,1]=4 255 B9R1.6 O=C(O)[C@H]1CCCOC1 MCULE-4021468329 [1,0,0,0,0,0|2,0,1]=4 256 B9R1.6 O=C(O)[C@H]1CCCSC1 MCULE-1373166628 [1,0,0,0,0,0|2,0,1]=4 257 B9R1.6 O=C([O-])C1CCC=CO1 MCULE-8478897142 [1,0,0,0,0,0|2,0,0]=3 258 B9R1.6 O=C([O-])C1CCCCC1 MCULE-2430887278 [1,0,0,0,0,0|1,0,2]=4 259 B11R1.3 C1(CC=C(CC1)C=O)C(=C)C MCULE-2913420738 [0,1,0,0,0,0|1,0,1]=3 260 B11R1.3 C=C(C)C1CC=C(CC1)CO MCULE-1420218917 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)C=O MCULE-1776810440 [0,1,0,0,0,0|1,0,1]=3 262 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)CO MCULE-6424076438 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.3 C=C(C)[C@@H]1CC=C(CC1)CO MCULE-8025124711 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.3 C=C(C)[C@H]1CC=C(CC1)C=O MCULE-2996712066 [0,1,0,0,0,0|1,0,1]=3 265 B11R1.3 CC(=O)N1CCC(=NO)CC1 MCULE-3301766490 [0,1,0,0,0,0|2,0,1]=4 266 B11R1.3 CC(=O)N1CCC(CC1)CBr MCULE-9672592266 [0,1,0,0,0,0|1,0,2]=4 267 B11R1.3 CC(=O)N1CCC(CC1)CCl MCULE-5508562753 [0,1,0,0,0,0|1,0,2]=4 268 B11R1.3 CC(=O)N1CCC(CC1)CI MCULE-4647239909 [0,1,0,0,0,0|1,0,2]=4 269 B11R1.3 CC(=O)N1CCC(CC1)CN MCULE-3584375983 [0,1,0,0,0,0|1,0,2]=4 270 B11R1.3 CC(=O)N1CCC(CC1)CN MCULE-6421349508 [0,1,0,0,0,0|1,0,2]=4 271 B11R1.3 CC(=O)N1CCC(CC1)CN MCULE-7878669821 [0,1,0,0,0,0|1,0,2]=4 272 B11R1.3 CC(=O)N1CCC(CC1)CO MCULE-8510426672 [0,1,0,0,0,0|1,0,2]=4 273 B11R1.3 CCC1CCC(CC1)C(=O)O MCULE-3132418894 [0,1,0,0,0,0|1,0,2]=4 274 B11R1.3 CCN1CCC(CC1)C(=O)C MCULE-4425984778 [0,1,0,0,0,0|1,0,1]=3 275 B11R1.3 CCN1CCC(CC1)C(=O)N MCULE-5606360624 [0,1,0,0,0,0|2,0,1]=4 276 B11R1.3 CCN1CCC(CC1)C(=O)O MCULE-1135533995 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.3 CCN1CCC(CC1)C(=O)O MCULE-1740909675 [0,1,0,0,0,0|2,0,1]=4 278 B11R1.3 CC[C@H]1CC[C@@H](CC1)C(=O)O MCULE-6485034715 [0,1,0,0,0,0|1,0,2]=4 279 B11R1.3 CNC1CCC(CC1)C(=O)O MCULE-4991563635 [0,1,0,0,0,0|1,0,2]=4 280 B11R1.3 CNC1CCC(CC1)C(=O)O MCULE-7459674895 [0,1,0,0,0,0|1,0,2]=4 281 B11R1.3 CNC1CCN(CC1)C(=O)C MCULE-1259772646 [0,1,0,0,0,0|1,0,2]=4 282 B11R1.3 CNC1CCN(CC1)C(=O)C MCULE-8826686643 [0,1,0,0,0,0|1,0,2]=4 283 B11R1.3 CN[C@H]1CC[C@@H](CC1)C(=O)N MCULE-2859430741 [0,1,0,0,0,0|1,0,2]=4 284 B11R1.3 CN[C@H]1CC[C@@H](CC1)C(=O)N MCULE-9942994944 [0,1,0,0,0,0|1,0,2]=4 285 B11R1.3 CN[C@H]1CC[C@@H](CC1)C(=O)O MCULE-2685872520 [0,1,0,0,0,0|1,0,2]=4 286 B11R1.3 CN[C@H]1CC[C@@H](CC1)C(=O)O MCULE-8829935799 [0,1,0,0,0,0|1,0,2]=4 287 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O MCULE-6088017598 [0,1,0,0,0,0|1,0,2]=4 288 B11R1.3 CN[C@H]1CC[C@H](CC1)C(=O)O MCULE-7349966563 [0,1,0,0,0,0|1,0,2]=4 289 B11R1.3 COC1CCC(CC1)C(=O)Cl MCULE-2869287615 [0,1,0,0,0,0|1,0,2]=4 290 B11R1.3 COC1CCC(CC1)C(=O)O MCULE-7855539599 [0,1,0,0,0,0|1,0,2]=4 291 B11R1.3 CON1CCC(CC1)C(=O)O MCULE-3896995710 [0,1,0,0,0,0|2,0,1]=4 292 B11R1.3 CON1CCC(CC1)C(=O)O MCULE-6764383714 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.3 CO[C@H]1CC[C@H](CC1)C(=O)O MCULE-8120957519 [0,1,0,0,0,0|1,0,2]=4 294 B11R1.3 NCC1CCC(CC1)C(=O)Cl MCULE-6250880472 [0,1,0,0,0,0|1,0,2]=4 295 B11R1.3 NCC1CCC(CC1)C(=O)N MCULE-3375105672 [0,1,0,0,0,0|1,0,2]=4 296 B11R1.3 NCC1CCC(CC1)C(=O)N MCULE-8923425198 [0,1,0,0,0,0|1,0,2]=4 297 B11R1.3 NCC1CCC(CC1)C(=O)O MCULE-6116475175 [0,1,0,0,0,0|1,0,2]=4 298 B11R1.3 NC[C@H]1CC[C@@H](CC1)C(=O)O MCULE-6087008336 [0,1,0,0,0,0|1,0,2]=4 299 B11R1.3 NC[C@H]1CC[C@H](CC1)C(=O)O MCULE-1914632389 [0,1,0,0,0,0|1,0,2]=4 300 B11R1.3 NC[C@H]1CC[C@H](CC1)C(=O)O MCULE-6012248882 [0,1,0,0,0,0|1,0,2]=4 301 B11R1.3 O=C(O)C1CCC(CC1)CBr MCULE-1483354720 [0,1,0,0,0,0|1,0,2]=4 302 B11R1.3 O=C(O)C1CCC(CC1)CO MCULE-2678326595 [0,1,0,0,0,0|1,0,2]=4 303 B11R1.3 O=C(O)[C@H]1CC[C@@H](CC1)CO MCULE-5678408450 [0,1,0,0,0,0|1,0,2]=4 304 B11R1.3 O=C(O)[C@H]1CC[C@H](CC1)CO MCULE-8982391334 [0,1,0,0,0,0|1,0,2]=4 305 B11R1.3 [C@@H]1(CC[C@@H](CC1)C(=O)O)OC MCULE-7032796402 [0,1,0,0,0,0|1,0,2]=4 306 B11R1.3 [C@H]1(CC=C(CC1)C=O)C(=C)C MCULE-2280015640 [0,1,0,0,0,0|1,0,1]=3 307 B11R1.19 CC(C)(C)C1CC=C(CC1)Br MCULE-7363271863 [0,1,0,0,0,0|2,0,1]=4 308 B11R1.19 CC1=CCC(CC1)C(C)(C)O MCULE-9798755896 [0,1,0,0,0,0|0,0,2]=3 309 B11R1.19 CC1=CCC(CC1)C(C)(C)S MCULE-6023615702 [0,1,0,0,0,0|0,1,1]=3 310 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O MCULE-6240066964 [0,1,0,0,0,0|0,0,2]=3 311 B11R1.19 CC1=CC[C@@H](CC1)C(C)(C)O MCULE-8948864854 [0,1,0,0,0,0|0,0,2]=3 312 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O MCULE-6184897823 [0,1,0,0,0,0|0,0,2]=3 313 B11R1.19 CC1=CC[C@H](CC1)C(C)(C)O MCULE-8414811975 [0,1,0,0,0,0|0,0,2]=3 314 B11R1.19 CS(=O)(=O)C1CCC(=O)CC1 MCULE-7982912514 [0,1,0,0,0,0|2,0,1]=4 315 B11R1.21 C=C(C)C1C=C(C(=O)CC1)C MCULE-2736117343 [0,1,0,0,0,0|2,0,1]=4 316 B11R1.21 C=C(C)C1CC=C(C(=O)C1)C MCULE-6744252540 [0,1,0,0,0,0|1,0,1]=3 317 B11R1.21 C=C(C)C1CC=C(C(C1)N)C MCULE-6251848535 [0,1,0,0,0,0|1,0,0]=2 318 B11R1.21 C=C(C)C1CC=C(C(C1)O)C MCULE-7410149055 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.21 C=C(C)C1CC=C([C@H](C1)O)C MCULE-9515700529 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.21 C=C(C)C1CCC(=C(C1)O)C MCULE-4208070162 [0,1,0,0,0,0|1,0,0]=2 321 B11R1.21 C=C(C)C1CCC(C(=O)C1)C MCULE-3190275628 [0,1,0,0,0,0|1,0,1]=3 322 B11R1.21 C=C(C)C1CCC(C(C1)O)C MCULE-7808019131 [0,1,0,0,0,0|1,0,2]=4 323 B11R1.21 C=C(C)[C@@H]1CC=C(C(=O)C1)C MCULE-7452592467 [0,1,0,0,0,0|1,0,1]=3 324 B11R1.21 C=C(C)[C@@H]1CC=C(C(=O)C1)C MCULE-7861636306 [0,1,0,0,0,0|1,0,1]=3 325 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C MCULE-2452079982 [0,1,0,0,0,0|1,0,1]=3 326 B11R1.21 C=C(C)[C@@H]1CC[C@H](C(=O)C1)C MCULE-5495863541 [0,1,0,0,0,0|1,0,1]=3 327 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)O)C MCULE-1360370433 [0,1,0,0,0,0|1,0,2]=4 328 B11R1.21 C=C(C)[C@@H]1CC[C@H]([C@@H](C1)O)C MCULE-6047004809 [0,1,0,0,0,0|1,0,2]=4 329 B11R1.21 C=C(C)[C@H]1CC=C(C(=O)C1)C MCULE-1451736151 [0,1,0,0,0,0|1,0,1]=3 330 B11R1.21 C=C(C)[C@H]1CC=C(C(=O)C1)C MCULE-5023486160 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.21 C=C(C)[C@H]1CC=C(C(C1)N)C MCULE-4358550857 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.21 C=C(C)[C@H]1CC=C(C(C1)N)C MCULE-7149771249 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.21 C=C(C)[C@H]1CC[C@@H](C(=O)C1)C MCULE-7342356938 [0,1,0,0,0,0|1,0,1]=3 334 B11R1.21 C=C(C)[C@H]1CC[C@@H]([C@H](C1)O)C MCULE-5188402392 [0,1,0,0,0,0|1,0,2]=4 335 B11R1.21 CC(=O)C1CC=C(C(=O)C1)C MCULE-9740579162 [0,1,0,0,0,0|0,0,1]=2 336 B11R1.21 CC(=O)C1CCC(=C(C1)C)C MCULE-9948382916 [0,1,0,0,0,0|0,0,0]=1 337 B11R1.21 CC(=O)N1CCC(=O)C(C1)Br MCULE-3868916469 [0,1,0,0,0,0|2,0,1]=4 338 B11R1.21 CC(=O)N1CCC(=O)C(C1)Br MCULE-6572019883 [0,1,0,0,0,0|2,0,1]=4 339 B11R1.21 CC1=C(CC(CC1)C(=O)O)C MCULE-6601751883 [0,1,0,0,0,0|1,0,0]=2 340 B11R1.21 CC1CC(CCC1=O)C(=O)O MCULE-1918471657 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.21 CC1CCC(CC1=O)C(C)C MCULE-9024932195 [0,1,0,0,0,0|1,0,2]=4 342 B11R1.21 CC1CCC(CC1C)C(=O)O MCULE-5819111297 [0,1,0,0,0,0|1,0,2]=4 343 B11R1.21 CC1CCC(CC1N)C(=O)O MCULE-3503061214 [0,1,0,0,0,0|1,0,2]=4 344 B11R1.21 CN1CC(CCC1=O)C(=O)O MCULE-4009790849 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.21 CN1CCC(CC1=O)C(=O)Cl MCULE-3674097642 [0,1,0,0,0,0|2,0,0]=3 346 B11R1.21 CN1CCC(CC1=O)C(=O)O MCULE-7427834297 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-5366315291 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.21 CN1CC[C@@H](CC1=O)C(=O)O MCULE-9736243500 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.21 CN1C[C@@H](CCC1=O)C(=O)O MCULE-4384135288 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-3136924816 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.21 CN1C[C@H](CCC1=O)C(=O)O MCULE-6449446697 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.22 C=C(CO)C1CCN(CC1)C MCULE-5974332387 [0,1,0,0,0,0|2,0,1]=4 353 B11R1.22 CC1=CCC(CC1)C(=O)NN MCULE-3549698832 [0,1,0,0,0,0|1,0,0]=2 354 B11R1.22 CC1=CCC(CC1)C(C)CO MCULE-3919531574 [0,1,0,0,0,0|0,0,2]=3 355 B11R1.22 CC1=CC[C@@H](CC1)[C@@H](C)CO MCULE-2847564596 [0,1,0,0,0,0|0,0,2]=3 356 B11R1.22 CC1CCN(CC1)C(=O)CCl MCULE-8596870381 [0,1,0,0,0,0|1,0,2]=4 357 B11R1.22 CC1CCN(CC1)C(=O)CN MCULE-2241299912 [0,1,0,0,0,0|1,0,2]=4 358 B11R1.22 CC1CCN(CC1)C(=O)CN MCULE-3548062897 [0,1,0,0,0,0|1,0,2]=4 359 B11R1.22 CCC(=O)N1CCC(=O)CC1 MCULE-8794247991 [0,1,0,0,0,0|2,0,1]=4 360 B11R1.22 CN1CCC(CC1)C(=O)NN MCULE-2270002519 [0,1,0,0,0,0|2,0,1]=4 361 B11R1.22 CN1CCN(CC1)C(=O)CBr MCULE-9538190894 [0,1,0,0,0,0|2,0,1]=4 362 B11R1.22 CN1CCN(CC1)C(=O)CBr MCULE-9910965564 [0,1,0,0,0,0|2,0,1]=4 363 B11R1.22 CN1CCN(CC1)C(=O)CCl MCULE-6300175382 [0,1,0,0,0,0|2,0,1]=4 364 B11R1.22 CN1CCN(CC1)C(=O)CCl MCULE-6638811370 [0,1,0,0,0,0|2,0,1]=4 365 B11R1.22 CN1CCN(CC1)C(=O)CN MCULE-1453987169 [0,1,0,0,0,0|2,0,1]=4 366 B11R1.22 CN1CCN(CC1)C(=O)CN MCULE-1461799595 [0,1,0,0,0,0|2,0,1]=4 367 B11R1.22 CN1CCN(CC1)C(=O)CN MCULE-8337302427 [0,1,0,0,0,0|2,0,1]=4 368 B11R1.22 CN1CCN(CC1)C(=O)CO MCULE-1847522424 [0,1,0,0,0,0|2,0,1]=4 369 B11R1.22 CN1CCN(CC1)C(=O)CO MCULE-5550415494 [0,1,0,0,0,0|2,0,1]=4 370 B11R1.22 CNC(=O)C1CCC(CC1)N MCULE-1679608263 [0,1,0,0,0,0|1,0,2]=4 371 B11R1.22 CNC(=O)C1CCC(CC1)N MCULE-3984878852 [0,1,0,0,0,0|1,0,2]=4 372 B11R1.22 CNC(=O)C1CCC(CC1)N MCULE-8266262668 [0,1,0,0,0,0|1,0,2]=4 373 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)N MCULE-2911939177 [0,1,0,0,0,0|1,0,2]=4 374 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)N MCULE-8592693332 [0,1,0,0,0,0|1,0,2]=4 375 B11R1.22 CNC(=O)[C@H]1CC[C@@H](CC1)O MCULE-1562789029 [0,1,0,0,0,0|1,0,2]=4 376 B11R1.22 CNC(=O)[C@H]1CC[C@H](CC1)N MCULE-6623398844 [0,1,0,0,0,0|1,0,2]=4 377 B11R1.22 CNC(=O)[C@H]1CC[C@H](CC1)N MCULE-6794551639 [0,1,0,0,0,0|1,0,2]=4 378 B11R1.22 COC(=O)C1CC=C(CC1)Br MCULE-7489389627 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.22 COC(=O)C1CC=C(CC1)C MCULE-7832981899 [0,1,0,0,0,0|0,0,0]=1 380 B11R1.22 COC(=O)C1CCC(=NC1)N MCULE-7341627746 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.22 COC(=O)C1CCC(=NC1)N MCULE-7743330305 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.22 COC(=O)C1CCC(=O)CC1 MCULE-9783233720 [0,1,0,0,0,0|1,0,1]=3 383 B11R1.22 COC(=O)C1CCC(=O)NC1 MCULE-4891190480 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.22 COC(=O)C1CCC(CC1)N MCULE-5482396714 [0,1,0,0,0,0|1,0,2]=4 385 B11R1.22 COC(=O)C1CCC(CC1)N MCULE-6230504256 [0,1,0,0,0,0|1,0,2]=4 386 B11R1.22 COC(=O)C1CCC(CC1)O MCULE-2490755485 [0,1,0,0,0,0|1,0,2]=4 387 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-1103691698 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-4066328394 [0,1,0,0,0,0|1,0,1]=3 389 B11R1.22 COC(=O)C1CCC(NC1)C MCULE-7905998970 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.22 COC(=O)C1CCN(CC1)C MCULE-1912799450 [0,1,0,0,0,0|1,0,1]=3 391 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-1207411341 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-3150881124 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.22 COC(=O)C1CNC(=O)CN1 MCULE-9361727201 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.22 COC(=O)C1CNC(CN1)C MCULE-2760554111 [0,1,0,0,0,0|2,0,1]=4 395 B11R1.22 COC(=O)N1CCC(=O)CC1 MCULE-5749716243 [0,1,0,0,0,0|2,0,1]=4 396 B11R1.22 COC(=O)N1CCN(CC1)C MCULE-6726485003 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.22 COC(=O)[C@@H]1CCC(=O)NC1 MCULE-3019174474 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-1999660404 [0,1,0,0,0,0|1,0,1]=3 399 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2455994251 [0,1,0,0,0,0|1,0,1]=3 400 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-2976201730 [0,1,0,0,0,0|1,0,1]=3 401 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-3782740676 [0,1,0,0,0,0|1,0,1]=3 402 B11R1.22 COC(=O)[C@@H]1CC[C@@H](NC1)C MCULE-6464990394 [0,1,0,0,0,0|1,0,1]=3 403 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-1654286744 [0,1,0,0,0,0|1,0,1]=3 404 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-2389055337 [0,1,0,0,0,0|1,0,1]=3 405 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-3268300078 [0,1,0,0,0,0|1,0,1]=3 406 B11R1.22 COC(=O)[C@@H]1CC[C@H](NC1)C MCULE-5032774144 [0,1,0,0,0,0|1,0,1]=3 407 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-1663377634 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.22 COC(=O)[C@@H]1CNC(=O)CN1 MCULE-5733180811 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-7846998050 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.22 COC(=O)[C@H]1CCC(=O)NC1 MCULE-8720511544 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N MCULE-4855710087 [0,1,0,0,0,0|1,0,2]=4 412 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)N MCULE-9225140469 [0,1,0,0,0,0|1,0,2]=4 413 B11R1.22 COC(=O)[C@H]1CC[C@@H](CC1)O MCULE-8951158493 [0,1,0,0,0,0|1,0,2]=4 414 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-4324818722 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-5137006001 [0,1,0,0,0,0|1,0,1]=3 416 B11R1.22 COC(=O)[C@H]1CC[C@@H](NC1)C MCULE-9584865102 [0,1,0,0,0,0|1,0,1]=3 417 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N MCULE-3165114207 [0,1,0,0,0,0|1,0,2]=4 418 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)N MCULE-7537634861 [0,1,0,0,0,0|1,0,2]=4 419 B11R1.22 COC(=O)[C@H]1CC[C@H](CC1)O MCULE-4794376608 [0,1,0,0,0,0|1,0,2]=4 420 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-1064182684 [0,1,0,0,0,0|1,0,1]=3 421 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-5686053466 [0,1,0,0,0,0|1,0,1]=3 422 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7329517559 [0,1,0,0,0,0|1,0,1]=3 423 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-7669213048 [0,1,0,0,0,0|1,0,1]=3 424 B11R1.22 COC(=O)[C@H]1CC[C@H](NC1)C MCULE-8006054967 [0,1,0,0,0,0|1,0,1]=3 425 B11R1.22 COC(=O)[C@H]1CNC(=O)CN1 MCULE-1475020895 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.22 NCC(=O)N1CCC(=O)CC1 MCULE-8300008794 [0,1,0,0,0,0|2,0,1]=4 427 B11R1.22 O=C1CCN(CC1)C(=O)CCl MCULE-6521209859 [0,1,0,0,0,0|2,0,1]=4 428 B11R1.22 [C@H]1(CC[C@H](CN1)C(=O)OC)C MCULE-3786752577 [0,1,0,0,0,0|1,0,1]=3 429 B11R1.166 C=C(C)C1CCC(CC1O)C MCULE-6876529269 [0,1,0,0,0,0|1,0,2]=4 430 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-1067653371 [0,1,0,0,0,0|1,0,2]=4 431 B11R1.166 C=C(C)[C@@H]1CC[C@H](C[C@H]1O)C MCULE-5364222532 [0,1,0,0,0,0|1,0,2]=4 432 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-4889883612 [0,1,0,0,0,0|1,0,2]=4 433 B11R1.166 C=C(C)[C@H]1CC[C@@H](C[C@@H]1O)C MCULE-5543514610 [0,1,0,0,0,0|1,0,2]=4 434 B11R1.166 CC1=CC(=O)C(=C(C)C)CC1 MCULE-2108234131 [0,1,0,0,0,0|1,0,2]=4 435 B11R1.166 CC1=CC(=O)C(CC1)C(C)C MCULE-4165549141 [0,1,0,0,0,0|1,0,2]=4 436 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-4320490300 [0,1,0,0,0,0|1,0,2]=4 437 B11R1.166 CC1=CC(=O)[C@@H](CC1)C(C)C MCULE-7213261889 [0,1,0,0,0,0|1,0,2]=4 438 B11R1.166 CC1=CC(=O)[C@H](CC1)C(C)C MCULE-1738202782 [0,1,0,0,0,0|1,0,2]=4 439 B11R1.166 CC1CC(=O)CCC1C(=O)O MCULE-7852085763 [0,1,0,0,0,0|2,0,1]=4 440 B11R1.166 CC1CCC(C(C1)C)C(=O)O MCULE-4443353151 [0,1,0,0,0,0|1,0,2]=4 441 B11R1.166 CC1CCC(C(N1)C)C(=O)N MCULE-3261318196 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.166 CC1CCC(C(N1)C)C(=O)N MCULE-3503260929 [0,1,0,0,0,0|2,0,1]=4 443 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-2460783843 [0,1,0,0,0,0|2,0,1]=4 444 B11R1.166 C[C@@H]1CC(=O)CC[C@H]1C(=O)O MCULE-7956491903 [0,1,0,0,0,0|2,0,1]=4 445 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-3967440664 [0,1,0,0,0,0|2,0,1]=4 446 B11R1.166 C[C@H]1CC(=O)CC[C@H]1C(=O)O MCULE-5142454558 [0,1,0,0,0,0|2,0,1]=4 447 B11R1.220 CC(=O)C1(CC=C(CC1)C)C MCULE-2419027463 [0,1,0,0,0,0|0,0,0]=1 448 B11R1.220 CC(=O)C1(CCC(CC1)C)C MCULE-1641456468 [0,1,0,0,0,0|0,0,2]=3 449 B11R1.220 CC1(CCC(=O)CC1)C(=O)O MCULE-1572569153 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.220 CC1(CCC(=O)NC1)C(=O)O MCULE-2805915574 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.220 CC1=CCC(CC1)(C)C(=O)N MCULE-5624220157 [0,1,0,0,0,0|1,0,0]=2 452 B11R1.220 CC1=CCC(CC1)(C)C(=O)O MCULE-9625022025 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.220 CC1=CCC(CC1)(O)C(C)C MCULE-6511194668 [0,1,0,0,0,0|1,0,1]=3 454 B11R1.220 CC1=CC[C@@](CC1)(O)C(C)C MCULE-1776686032 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.220 CC1=CC[C@@](CC1)(O)C(C)C MCULE-2778170549 [0,1,0,0,0,0|1,0,1]=3 456 B11R1.220 CC1=CC[C@](CC1)(O)C(C)C MCULE-1492713485 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.220 CC1CCC(CC1)(C)C(=O)N MCULE-8954217069 [0,1,0,0,0,0|1,0,2]=4 458 B11R1.220 CC1CCC(CC1)(C)C(=O)O MCULE-7822016719 [0,1,0,0,0,0|1,0,2]=4 459 B11R1.220 CC1CCC(CC1)(F)C(=O)O MCULE-8829791353 [0,1,0,0,0,0|1,0,2]=4 460 B11R1.220 CC1CCC(CC1)(N)C(=O)N MCULE-1630564728 [0,1,0,0,0,0|1,0,2]=4 461 B11R1.220 CC1CCC(CC1)(N)C(=O)O MCULE-7735898604 [0,1,0,0,0,0|1,0,2]=4 462 B11R1.220 CC1CCC(CC1)(O)C(=O)O MCULE-2392362320 [0,1,0,0,0,0|1,0,2]=4 463 B11R1.220 CN1CCC(CC1)(C)C(=O)O MCULE-3834694510 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.220 CN1CCC(CC1)(C)C(=O)O MCULE-6310965473 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.220 CN1CCC(CC1)(F)C(=O)O MCULE-5733063609 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.220 CN1CCC(CC1)(F)C(=O)O MCULE-8739311714 [0,1,0,0,0,0|2,0,1]=4 467 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-7077088205 [0,1,0,0,0,0|2,0,1]=4 468 B11R1.220 CN1CCC(CC1)(N)C(=O)O MCULE-9740380672 [0,1,0,0,0,0|2,0,1]=4 469 B11R1.220 CN1CCC(CC1)(O)C(=O)O MCULE-3745539292 [0,1,0,0,0,0|2,0,1]=4 470 B11R1.220 CN1CCC(CC1)(O)C(=O)O MCULE-9976204914 [0,1,0,0,0,0|2,0,1]=4 471 B11R1.220 NC1(CCC(=O)CC1)C(=O)O MCULE-6857901798 [0,1,0,0,0,0|2,0,1]=4 472 B11R1.727 C=C(C)C1C=CC(CC1)(C)O MCULE-8695225283 [0,1,0,0,0,0|1,0,2]=4 473 B11R1.727 C=C(C)C1CCC(CC1)(C)O MCULE-4762012173 [0,1,0,0,0,0|1,0,2]=4 474 B11R1.727 C=C(C)[C@@H]1C=C[C@@](CC1)(C)O MCULE-8445304652 [0,1,0,0,0,0|1,0,2]=4 475 B11R1.727 C=C(C)[C@@H]1C=C[C@](CC1)(C)O MCULE-1804046736 [0,1,0,0,0,0|1,0,2]=4 476 B11R1.727 C=C(C)[C@@H]1C=C[C@](CC1)(C)O MCULE-3296869529 [0,1,0,0,0,0|1,0,2]=4 477 B11R1.727 C=C(C)[C@H]1C=CC(CC1)(C)O MCULE-2110582946 [0,1,0,0,0,0|1,0,2]=4 478 B11R1.727 C=C(C)[C@H]1C=C[C@@](CC1)(C)O MCULE-1679369036 [0,1,0,0,0,0|1,0,2]=4 479 B11R1.727 C=C(C)[C@H]1C=C[C@@](CC1)(C)O MCULE-2446942904 [0,1,0,0,0,0|1,0,2]=4 480 B11R1.727 C=C(C)[C@H]1C=C[C@@](CC1)(C)O MCULE-5285146625 [0,1,0,0,0,0|1,0,2]=4 481 B11R1.727 C=C(C)[C@H]1C=C[C@](CC1)(C)O MCULE-2819428179 [0,1,0,0,0,0|1,0,2]=4 482 B11R1.727 CC(=O)C1CCC(CC1)(F)F MCULE-6465926442 [0,1,0,0,0,0|1,0,2]=4 483 B11R1.727 CC(=O)C1CCS(=O)(=O)CC1 MCULE-7459919791 [0,1,0,0,0,0|2,0,1]=4 484 B11R1.727 CC(=O)N1CCC(CC1)(C)N MCULE-2936838707 [0,1,0,0,0,0|1,0,2]=4 485 B11R1.727 CC(=O)N1CC[N+](CC1)(C)C MCULE-2540493698 [0,1,0,0,0,0|2,0,1]=4 486 B11R1.727 CC(=O)N1CC[N+](CC1)(C)C MCULE-6101583698 [0,1,0,0,0,0|2,0,1]=4 487 B11R1.727 CC1(CCC(CC1)C(=O)O)C MCULE-4077940511 [0,1,0,0,0,0|1,0,2]=4 488 B11R1.727 CC1(CCC(CC1)C(=O)O)O MCULE-4857156703 [0,1,0,0,0,0|1,0,2]=4 489 B11R1.727 CC1(CCC(CO1)C(=O)O)C MCULE-6004318139 [0,1,0,0,0,0|2,0,1]=4 490 B9R0.1 C=C(C)CCCC(=O)OC MCULE-9632804158 [0,0,1,0,0,0|3,0,0]=4 491 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,0,1,0,0,0|1,0,0]=2 492 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,0,1,0,0,0|2,0,1]=4 493 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,0,1,0,0,0|3,0,0]=4 494 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,0,1,0,0,0|1,0,2]=4 495 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,0,1,0,0,0|1,0,2]=4 496 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,0,1,0,0,0|2,0,1]=4 497 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,0,1,0,0,0|2,0,1]=4 498 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,0,1,0,0,0|1,0,1]=3 499 B9R0.1 CNC(=O)CCCC(=O)O MCULE-1504372631 [0,0,1,0,0,0|3,0,0]=4 500 B9R0.1 COC(=O)CCCC(=O)C MCULE-7598370905 [0,0,1,0,0,0|2,0,0]=3 501 B9R0.1 COC(=O)CCCC(=O)Cl MCULE-6036333168 [0,0,1,0,0,0|3,0,0]=4 502 B9R0.1 COC(=O)CCCC(=O)O MCULE-9458960872 [0,0,1,0,0,0|3,0,0]=4 503 B9R0.1 COC(=O)CCNC(=O)C MCULE-2210096145 [0,0,1,0,0,0|3,0,0]=4 504 B9R0.1 COC(=O)COCC(=O)C MCULE-4891593388 [0,0,1,0,0,0|3,0,0]=4 505 B9R0.1 COC(=O)CSCC(=O)C MCULE-7264442650 [0,0,1,0,0,0|3,0,0]=4 506 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,0,1,0,0,0|2,0,1]=4 507 B9R0.7 CC(=CCC(N)C(=O)O)C MCULE-9020150203 [0,0,1,0,0,0|2,0,0]=3 508 B9R0.7 CC(=CC[C@@H](N)C(=O)O)C MCULE-7822845293 [0,0,1,0,0,0|2,0,0]=3 509 B9R0.7 CC(=CC[C@H](N)C(=O)O)C MCULE-6208618845 [0,0,1,0,0,0|2,0,0]=3 510 B9R0.7 CC(=NOC(C)C(=O)O)C MCULE-2667021953 [0,0,1,0,0,0|3,0,0]=4 511 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,0,1,0,0,0|2,0,0]=3 512 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,0,1,0,0,0|2,0,0]=3 513 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,0,1,0,0,0|3,0,0]=4 514 B9R0.7 CC(=O)N(C)CCC(=S)N MCULE-6233171905 [0,0,1,0,0,0|3,0,0]=4 515 B9R0.7 CC(=O)SCC(C)C(=O)N MCULE-5520753765 [0,0,1,0,0,0|3,0,0]=4 516 B9R0.7 CC(=O)SCC(C)C(=O)O MCULE-5116238206 [0,0,1,0,0,0|3,0,0]=4 517 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8028939364 [0,0,1,0,0,0|3,0,0]=4 518 B9R0.7 CC(=O)SC[C@@H](C)C(=O)O MCULE-8973266419 [0,0,1,0,0,0|3,0,0]=4 519 B9R0.7 CC(C)CCC(C)C(=O)O MCULE-8295273403 [0,0,1,0,0,0|1,0,2]=4 520 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,0,1,0,0,0|3,0,0]=4 521 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,0,1,0,0,0|3,0,0]=4 522 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-1367979399 [0,0,1,0,0,0|2,0,1]=4 523 B9R0.7 CC(CCN(C)C)C(=O)O MCULE-7599864369 [0,0,1,0,0,0|2,0,1]=4 524 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,0,1,0,0,0|3,0,0]=4 525 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,0,1,0,0,0|3,0,0]=4 526 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,0,1,0,0,0|3,0,0]=4 527 B9R0.13 C=CCCC(CC)C(=O)O MCULE-6019823383 [0,0,1,0,0,0|1,0,2]=4 528 B9R0.13 CCC(CCOC)C(=O)O MCULE-9329790915 [0,0,1,0,0,0|2,0,1]=4 529 B9R0.13 CCCCC(CC)C(=O)C MCULE-6594996935 [0,0,1,0,0,0|0,0,2]=3 530 B9R0.13 CCCCC(CC)C(=O)Cl MCULE-5129133966 [0,0,1,0,0,0|1,0,2]=4 531 B9R0.13 CCCCC(CC)C(=O)N MCULE-6741704780 [0,0,1,0,0,0|1,0,2]=4 532 B9R0.13 CCCCC(CC)C(=O)O MCULE-5686478683 [0,0,1,0,0,0|1,0,2]=4 533 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6405828438 [0,0,1,0,0,0|1,0,2]=4 534 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-6841285360 [0,0,1,0,0,0|1,0,2]=4 535 B9R0.13 CCCCC(CC)C(=O)[O-] MCULE-9345456808 [0,0,1,0,0,0|1,0,2]=4 536 B9R0.13 CCCCC(CN)C(=O)O MCULE-6509321720 [0,0,1,0,0,0|2,0,1]=4 537 B9R0.13 CCCCC(CO)C(=O)C MCULE-8991511326 [0,0,1,0,0,0|1,0,1]=3 538 B9R0.13 CCCCC(CO)C(=O)O MCULE-7586035948 [0,0,1,0,0,0|2,0,1]=4 539 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-3017621334 [0,0,1,0,0,0|1,0,2]=4 540 B9R0.13 CCCC[C@@H](CC)C(=O)O MCULE-9782965208 [0,0,1,0,0,0|1,0,2]=4 541 B9R0.13 CCCC[C@@H](CN)C(=O)O MCULE-8769717308 [0,0,1,0,0,0|2,0,1]=4 542 B9R0.13 CCCC[C@@H](CO)C(=O)O MCULE-4035754044 [0,0,1,0,0,0|2,0,1]=4 543 B9R0.13 CCCC[C@H](CC)C(=O)O MCULE-7435371149 [0,0,1,0,0,0|1,0,2]=4 544 B9R0.13 CCCC[C@H](CN)C(=O)O MCULE-3507398764 [0,0,1,0,0,0|2,0,1]=4 545 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-1956509117 [0,0,1,0,0,0|2,0,1]=4 546 B9R0.13 CCCC[C@H](CO)C(=O)O MCULE-3776577040 [0,0,1,0,0,0|2,0,1]=4 547 B11R2.39 CC1=CCC2C(C1)C2(C)C MCULE-2811504753 [0,0,0,1,0,0|1,0,1]=3 548 B11R2.39 CC1=CC[C@@H]2[C@H](C1)C2(C)C MCULE-3313800403 [0,0,0,1,0,0|1,0,1]=3 549 B11R2.39 CC1=CC[C@@H]2[C@H](C1)C2(C)C MCULE-5266980452 [0,0,0,1,0,0|1,0,1]=3 550 B11R2.39 CC1=C[C@H]2[C@@H](C2(C)C)CC1 MCULE-4847577553 [0,0,0,1,0,0|1,0,1]=3 551 B11R2.39 CC1=C[C@H]2[C@H](C2(C)C)CC1 MCULE-2843402378 [0,0,0,1,0,0|1,0,1]=3 552 B11R2.64 O=C1NCC2CCC1CN2 MCULE-6014809802 [0,0,0,1,0,0|2,0,1]=4 553 B11R2.64 O=C1NCC2CCC1CN2 MCULE-6172944585 [0,0,0,1,0,0|2,0,1]=4 554 B11R2.64 O=C1NCN2CCC1CC2 MCULE-4922338896 [0,0,0,1,0,0|2,0,1]=4 555 B11R2.533 CC1=CCC2CC1C2(C)C MCULE-3589656574 [0,0,0,1,0,0|1,0,1]=3 556 B11R2.533 CC1=CC[C@@H]2C[C@H]1C2(C)C MCULE-9309364974 [0,0,0,1,0,0|1,0,1]=3 557 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C MCULE-3867013572 [0,0,0,1,0,0|1,0,1]=3 558 B11R2.533 CC1=CC[C@H]2C[C@@H]1C2(C)C MCULE-4741815186 [0,0,0,1,0,0|1,0,1]=3 559 B11R2.533 [C@@H]12CC(C1(C)C)CC=C2C MCULE-4656893243 [0,0,0,1,0,0|1,0,1]=3 560 B11R2.533 [C@@H]12CC=C([C@@H](C1)C2(C)C)C MCULE-6038724907 [0,0,0,1,0,0|1,0,1]=3 561 B11R2.700 CN1CC2C(C1)C2C(=O)O MCULE-8340519607 [0,0,0,1,0,0|2,0,1]=4 562 B11R2.700 CN1CC2C(C1)C2C(=O)O MCULE-8715239850 [0,0,0,1,0,0|2,0,1]=4 563 B11R2.700 CN1C[C@@H]2[C@@H]([C@@H]2C1)C(=O)O MCULE-9412932062 [0,0,0,1,0,0|2,0,1]=4 564 B11R2.700 CN1C[C@@H]2[C@@H]([C@@H]2C1)C(=O)O MCULE-9928226454 [0,0,0,1,0,0|2,0,1]=4 565 B11R2.700 [C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C MCULE-1261942021 [0,0,0,1,0,0|2,0,1]=4 566 B11R2.700 [C@@H]12CN(C[C@@H]1[C@H]2C(=O)O)C MCULE-3435071322 [0,0,0,1,0,0|2,0,1]=4 567 B11R2.821 [C@@H]12CC[C@@H]([C@@H](C1)N2)C(=O)O MCULE-4969323707 [0,0,0,1,0,0|2,0,1]=4 568 B11R2.839 O=C(O)C1CCC2CC2C1 MCULE-9539219207 [0,0,0,1,0,0|1,0,2]=4 569 B11R2.1839 NC(=O)C12CCC(C1)CC2 MCULE-2431830147 [0,0,0,1,0,0|1,0,2]=4 570 B11R2.1839 NC(=O)C12CCN(C1)CC2 MCULE-8813612154 [0,0,0,1,0,0|2,0,1]=4 571 B11R2.1839 NC(=O)C12CCN(C1)CC2 MCULE-9070110707 [0,0,0,1,0,0|2,0,1]=4 572 B11R2.1839 O=C(O)C12C=CC(C1)CC2 MCULE-4960669059 [0,0,0,1,0,0|1,0,2]=4 573 B11R2.1839 O=C(O)C12CCC(C1)CC2 MCULE-6630732907 [0,0,0,1,0,0|1,0,2]=4 574 B11R2.1839 O=C(O)C12CCN(C1)CC2 MCULE-3565766296 [0,0,0,1,0,0|2,0,1]=4 575 B11R2.1839 O=C(O)C12CCN(C1)CC2 MCULE-9794392710 [0,0,0,1,0,0|2,0,1]=4 576 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-4354063940 [0,0,0,1,0,0|2,0,1]=4 577 B11R2.1839 [C@@H]12CCC(C1)(CN2)C(=O)O MCULE-8094375931 [0,0,0,1,0,0|2,0,1]=4 578 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-1269384340 [0,0,0,1,0,0|2,0,1]=4 579 B11R2.1839 [C@H]12CCC(C1)(CN2)C(=O)O MCULE-9709707983 [0,0,0,1,0,0|2,0,1]=4 580 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,0,1,0|2,0,0]=3 581 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,0,1,0|3,0,0]=4 582 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,0,1,0|2,0,1]=4 583 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,0,1,0|2,0,0]=3 584 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,0,1,0|2,0,0]=3 585 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,0,1,0|1,0,1]=3 586 B9R1.35 CC(=O)C1=CC(=CS1)C MCULE-2062206035 [0,0,0,0,1,0|1,0,2]=4 587 B9R1.35 CC(=O)C1=CC(=NN1)C MCULE-1737620160 [0,0,0,0,1,0|2,0,1]=4 588 B9R1.35 CC(=O)C1=CC(=NO1)C MCULE-4343959902 [0,0,0,0,1,0|2,0,1]=4 589 B9R1.35 CC(=O)C1=CC(=NS1)C MCULE-3586371676 [0,0,0,0,1,0|2,0,1]=4 590 B9R1.35 CC(=O)C1=CC=C(N1)C MCULE-3720570668 [0,0,0,0,1,0|1,0,2]=4 591 B9R1.35 CC(=O)C1=CC=C(O1)C MCULE-9973272981 [0,0,0,0,1,0|1,0,2]=4 592 B9R1.35 CC(=O)C1=CC=C(S1)C MCULE-5218961667 [0,0,0,0,1,0|1,0,2]=4 593 B9R1.35 CC(=O)C1=CNC(=C1)C MCULE-4421020533 [0,0,0,0,1,0|1,0,2]=4 594 B9R1.35 CC(=O)C1=CSC(=C1)C MCULE-3547711889 [0,0,0,0,1,0|1,0,2]=4 595 B9R1.35 CC(=O)C1=NC(=CN1)C MCULE-3694876585 [0,0,0,0,1,0|2,0,1]=4 596 B9R1.35 CC(=O)C1=NC(=CO1)C MCULE-5098584860 [0,0,0,0,1,0|2,0,1]=4 597 B9R1.35 CC(=O)C1=NC(=CS1)C MCULE-5388443813 [0,0,0,0,1,0|2,0,1]=4 598 B9R1.35 CC(=O)C1=NC=C(S1)C MCULE-6562948673 [0,0,0,0,1,0|2,0,1]=4 599 B9R1.35 CC(=O)C1=NOC(=C1)C MCULE-1344188372 [0,0,0,0,1,0|2,0,1]=4 600 B9R1.35 CC(=O)C1CCC(=O)O1 MCULE-5049805875 [0,0,0,0,1,0|2,0,0]=3 601 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,0,1,0|1,0,0]=2 602 B9R1.35 CC(=O)C1COC(=O)C1 MCULE-4262262510 [0,0,0,0,1,0|2,0,0]=3 603 B9R1.35 CC(=O)N1CCC(=N1)N MCULE-6589962377 [0,0,0,0,1,0|3,0,0]=4 604 B9R1.35 CC(=O)N1CCC(=O)C1 MCULE-3924044267 [0,0,0,0,1,0|2,0,0]=3 605 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,0,0,0,1,0|2,0,1]=4 606 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,0,0,0,1,0|2,0,1]=4 607 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,0,0,0,1,0|2,0,1]=4 608 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,0,0,0,1,0|2,0,1]=4 609 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,0,0,0,1,0|2,0,1]=4 610 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,0,1,0|2,0,1]=4 611 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,0,0,0,1,0|2,0,1]=4 612 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,0,0,0,1,0|2,0,1]=4 613 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,0,0,0,1,0|2,0,1]=4 614 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,0,0,0,1,0|2,0,1]=4 615 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,0,0,0,1,0|2,0,1]=4 616 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,0,0,0,1,0|2,0,1]=4 617 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,0,0,0,1,0|2,0,1]=4 618 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,0,1,0|2,0,1]=4 619 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,0,1,0|2,0,1]=4 620 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,0,0,0,1,0|2,0,1]=4 621 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,0,0,0,1,0|2,0,1]=4 622 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,0,0,0,1,0|2,0,1]=4 623 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,0,0,0,1,0|2,0,1]=4 624 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,0,0,0,1,0|2,0,1]=4 625 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,0,0,0,1,0|2,0,1]=4 626 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,0,0,0,1,0|2,0,1]=4 627 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,0,1,0|2,0,1]=4 628 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,0,1,0|2,0,1]=4 629 B9R1.35 CC(C)C1CCC(=O)C1 MCULE-7380487072 [0,0,0,0,1,0|2,0,1]=4 630 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,0,1,0|2,0,0]=3 631 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,0,1,0|2,0,0]=3 632 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,0,1,0|2,0,0]=3 633 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,0,1,0|3,0,0]=4 634 B9R1.35 CC1=NC(CS1)C(=O)[O-] MCULE-8494242040 [0,0,0,0,1,0|3,0,0]=4 635 B9R1.35 CC1=NOC(C1)C(=O)O MCULE-4730152545 [0,0,0,0,1,0|3,0,0]=4 636 B9R1.35 CC1=NO[C@@H](C1)C(=O)O MCULE-4081165004 [0,0,0,0,1,0|3,0,0]=4 637 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,0,1,0|2,0,1]=4 638 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,0,1,0|1,0,1]=3 639 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,0,1,0|2,0,1]=4 640 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,0,1,0|2,0,1]=4 641 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,0,1,0|2,0,1]=4 642 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,0,0,0,1,0|2,0,1]=4 643 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,0,1,0|2,0,1]=4 644 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,0,1,0|2,0,1]=4 645 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,0,1,0|2,0,1]=4 646 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-4940976118 [0,0,0,0,1,0|3,0,0]=4 647 B9R1.35 CN1C=NC(C1)C(=O)O MCULE-8264815969 [0,0,0,0,1,0|3,0,0]=4 648 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,0,1,0|2,0,0]=3 649 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,0,1,0|2,0,0]=3 650 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,0,1,0|2,0,0]=3 651 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,0,1,0|2,0,0]=3 652 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,0,1,0|2,0,0]=3 653 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,0,1,0|2,0,0]=3 654 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,0,1,0|2,0,0]=3 655 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,0,1,0|2,0,0]=3 656 B9R1.35 CS(=O)C1CCC(C1)N MCULE-2472662986 [0,0,0,0,1,0|2,0,1]=4 657 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,0,1,0|2,0,1]=4 658 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,0,1,0|2,0,1]=4 659 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,0,1,0|2,0,1]=4 660 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,0,1,0|2,0,1]=4 661 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,0,1,0|2,0,1]=4 662 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,0,1,0|2,0,1]=4 663 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,0,1,0|2,0,1]=4 664 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,0,1,0|2,0,1]=4 665 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,0,1,0|2,0,1]=4 666 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,0,1,0|2,0,1]=4 667 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,0,1,0|2,0,1]=4 668 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,0,1,0|2,0,1]=4 669 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,0,1,0|2,0,1]=4 670 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,0,1,0|2,0,1]=4 671 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,0,1,0|2,0,1]=4 672 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,0,1,0|2,0,1]=4 673 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,0,1,0|2,0,1]=4 674 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,0,1,0|2,0,1]=4 675 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,0,1,0|2,0,1]=4 676 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,0,1,0|2,0,1]=4 677 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,0,1,0|2,0,1]=4 678 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,0,1,0|2,0,1]=4 679 B9R1.35 NC(=O)C1CCC(=O)N1 MCULE-1717146839 [0,0,0,0,1,0|3,0,0]=4 680 B9R1.35 NC(=O)C1CNC(=O)C1 MCULE-2954653092 [0,0,0,0,1,0|3,0,0]=4 681 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-5928054942 [0,0,0,0,1,0|3,0,0]=4 682 B9R1.35 NC(=O)[C@@H]1CCC(=O)N1 MCULE-8978218986 [0,0,0,0,1,0|3,0,0]=4 683 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,0,1,0|2,0,1]=4 684 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,0,1,0|2,0,1]=4 685 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,0,1,0|2,0,1]=4 686 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,0,1,0|2,0,1]=4 687 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,0,1,0|2,0,1]=4 688 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,0,1,0|2,0,1]=4 689 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,0,1,0|2,0,1]=4 690 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,0,1,0|2,0,1]=4 691 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,0,1,0|2,0,1]=4 692 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,0,1,0|2,0,1]=4 693 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,0,1,0|2,0,1]=4 694 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,0,1,0|2,0,1]=4 695 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,0,1,0|2,0,1]=4 696 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,0,1,0|2,0,1]=4 697 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,0,1,0|2,0,1]=4 698 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,0,1,0|2,0,1]=4 699 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,0,1,0|2,0,1]=4 700 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,0,1,0|2,0,1]=4 701 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,0,1,0|2,0,1]=4 702 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,0,1,0|2,0,1]=4 703 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,0,1,0|2,0,1]=4 704 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,0,1,0|2,0,1]=4 705 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,0,1,0|2,0,1]=4 706 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,0,1,0|2,0,1]=4 707 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,0,1,0|2,0,1]=4 708 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,0,1,0|2,0,1]=4 709 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,0,1,0|2,0,1]=4 710 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,0,1,0|2,0,1]=4 711 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,0,1,0|2,0,1]=4 712 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,0,1,0|2,0,1]=4 713 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,0,1,0|2,0,1]=4 714 B9R1.35 O=C1C=C(CC1)C(=O)O MCULE-7681373121 [0,0,0,0,1,0|2,0,1]=4 715 B9R1.35 O=C1CC(CN1)C(=O)O MCULE-2190630193 [0,0,0,0,1,0|3,0,0]=4 716 B9R1.35 O=C1CC(CO1)C(=O)O MCULE-4876585769 [0,0,0,0,1,0|3,0,0]=4 717 B9R1.35 O=C1CC(CS1)C(=O)O MCULE-5763665475 [0,0,0,0,1,0|3,0,0]=4 718 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,0,1,0|2,0,0]=3 719 B9R1.35 O=C1CCC(N1)C(=O)Cl MCULE-7943877958 [0,0,0,0,1,0|3,0,0]=4 720 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,0,1,0|3,0,0]=4 721 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,0,1,0|3,0,0]=4 722 B9R1.35 O=C1CCC(N1)C(=O)[O-] MCULE-1554748470 [0,0,0,0,1,0|3,0,0]=4 723 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,0,1,0|3,0,0]=4 724 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,0,1,0|3,0,0]=4 725 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,0,1,0|2,0,0]=3 726 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,0,1,0|2,0,0]=3 727 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,0,1,0|3,0,0]=4 728 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,0,1,0|3,0,0]=4 729 B9R1.35 O=C1CC[C@@H](O1)C(=O)Cl MCULE-2420158992 [0,0,0,0,1,0|3,0,0]=4 730 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,0,1,0|3,0,0]=4 731 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,0,1,0|3,0,0]=4 732 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,0,1,0|2,0,0]=3 733 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,0,1,0|2,0,0]=3 734 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,0,1,0|3,0,0]=4 735 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,0,1,0|3,0,0]=4 736 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,0,1,0|3,0,0]=4 737 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-2892153827 [0,0,0,0,1,0|3,0,0]=4 738 B9R1.35 O=C1CC[C@H](N1)C(=O)[O-] MCULE-8083669516 [0,0,0,0,1,0|3,0,0]=4 739 B9R1.35 O=C1CC[C@H](O1)C(=O)Cl MCULE-2111028314 [0,0,0,0,1,0|3,0,0]=4 740 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,0,1,0|3,0,0]=4 741 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,0,1,0|3,0,0]=4 742 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,0,1,0|3,0,0]=4 743 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7418065190 [0,0,0,0,1,0|3,0,0]=4 744 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-7697956784 [0,0,0,0,1,0|3,0,0]=4 745 B9R1.35 O=C1CNC(C1)C(=O)O MCULE-9520720032 [0,0,0,0,1,0|3,0,0]=4 746 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-2573903934 [0,0,0,0,1,0|3,0,0]=4 747 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-3585746586 [0,0,0,0,1,0|3,0,0]=4 748 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4771747932 [0,0,0,0,1,0|3,0,0]=4 749 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-4795592072 [0,0,0,0,1,0|3,0,0]=4 750 B9R1.35 O=C1CN[C@@H](C1)C(=O)O MCULE-6928857625 [0,0,0,0,1,0|3,0,0]=4 751 B9R1.35 O=C1COC(C1)C(=O)O MCULE-4720798204 [0,0,0,0,1,0|3,0,0]=4 752 B9R1.35 O=C1CSC(C1)C(=O)O MCULE-3309649635 [0,0,0,0,1,0|3,0,0]=4 753 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-5673992530 [0,0,0,0,1,0|3,0,0]=4 754 B9R1.35 O=C1C[C@@H](CN1)C(=O)O MCULE-8443757903 [0,0,0,0,1,0|3,0,0]=4 755 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-1024601569 [0,0,0,0,1,0|3,0,0]=4 756 B9R1.35 O=C1C[C@H](CN1)C(=O)O MCULE-4280238532 [0,0,0,0,1,0|3,0,0]=4 757 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,0,1,0|2,0,1]=4 758 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,0,1,0|2,0,1]=4 759 B11R1.20 CC(=O)CN1CCN(CC1)C MCULE-8603180643 [0,0,0,0,0,1|2,0,1]=4 760 B11R1.20 CC(=O)NC1CCC(=O)CC1 MCULE-7983694594 [0,0,0,0,0,1|1,0,1]=3 761 B11R1.20 CC(=O)NC1CCC(CC1)Br MCULE-2714205732 [0,0,0,0,0,1|1,0,2]=4 762 B11R1.20 CC(=O)NC1CCC(CC1)Cl MCULE-5458062636 [0,0,0,0,0,1|1,0,2]=4 763 B11R1.20 CC(=O)NC1CCC(CC1)I MCULE-8279325770 [0,0,0,0,0,1|1,0,2]=4 764 B11R1.20 CC(=O)NC1CCC(CC1)N MCULE-1813203200 [0,0,0,0,0,1|1,0,2]=4 765 B11R1.20 CC(=O)NC1CCC(CC1)N MCULE-9889880416 [0,0,0,0,0,1|1,0,2]=4 766 B11R1.20 CC(=O)NC1CCC(CC1)O MCULE-4935359894 [0,0,0,0,0,1|1,0,2]=4 767 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)C MCULE-8580957881 [0,0,0,0,0,1|0,0,2]=3 768 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N MCULE-4250787839 [0,0,0,0,0,1|1,0,2]=4 769 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)N MCULE-6663619510 [0,0,0,0,0,1|1,0,2]=4 770 B11R1.20 CC(=O)N[C@H]1CC[C@@H](CC1)O MCULE-7696004406 [0,0,0,0,0,1|1,0,2]=4 771 B11R1.20 CC(=O)N[C@H]1CC[C@H](CC1)C MCULE-5716808523 [0,0,0,0,0,1|0,0,2]=3 772 B11R1.20 CC(=O)OC1C=CC(=O)CO1 MCULE-2703877400 [0,0,0,0,0,1|2,0,1]=4 773 B11R1.20 CC(=O)OC1CCC(=O)CC1 MCULE-8690712702 [0,0,0,0,0,1|1,0,1]=3 774 B11R1.20 CC(=O)SC1CCC(=O)CC1 MCULE-2776970558 [0,0,0,0,0,1|1,0,1]=3 775 B11R1.20 CC1CCC(CC1)CC(=O)O MCULE-4709512543 [0,0,0,0,0,1|1,0,2]=4 776 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-5663210558 [0,0,0,0,0,1|2,0,1]=4 777 B11R1.20 CN1CCC(CC1)CC(=O)O MCULE-8825370932 [0,0,0,0,0,1|2,0,1]=4 778 B11R1.20 CN1CCC(CC1)OC(=O)Cl MCULE-5527995428 [0,0,0,0,0,1|2,0,1]=4 779 B11R1.20 CN1CCC(CC1)OC(=O)Cl MCULE-7171225050 [0,0,0,0,0,1|2,0,1]=4 780 B11R1.20 C[C@H]1CC[C@@H](CC1)CC(=O)O MCULE-6731009022 [0,0,0,0,0,1|1,0,2]=4 781 B11R1.20 O=C(O)CC1CCC(=O)CC1 MCULE-2016363878 [0,0,0,0,0,1|2,0,1]=4 782 B11R1.20 O=C(O)CC1CCC(=O)NC1 MCULE-8185955859 [0,0,0,0,0,1|3,0,0]=4 783 B11R1.565 CC(=O)N1CCCC(=O)CC1 MCULE-4242660585 [0,0,0,0,0,1|2,0,1]=4 784 B11R1.565 CN1CCCC(CC1)C(=O)O MCULE-2315942552 [0,0,0,0,0,1|2,0,1]=4 785 B11R1.565 O=C1CCC(CCN1)C(=O)O MCULE-3530109531 [0,0,0,0,0,1|2,0,1]=4 786 B11R1.565 O=C1CCC(CCO1)C(=O)O MCULE-4871150325 [0,0,0,0,0,1|2,0,1]=4 787 B11R1.565 O=C1CCCC(CC1)C(=O)O MCULE-9475795957 [0,0,0,0,0,1|2,0,1]=4 788 B8R0.6 COC(=O)CCCC=O MCULE-2183669341 [1,0,1,0,0,0|2,0,0]=4 789 B8R0.7 C=CCCCCC(=O)C MCULE-4268619428 [1,0,1,0,0,0|0,0,2]=4 790 B8R0.7 CC#CCCCC(=O)C MCULE-4297141774 [1,0,1,0,0,0|0,0,2]=4 791 B8R0.7 CC(=O)CCCOC=O MCULE-7473574321 [1,0,1,0,0,0|2,0,0]=4 792 B8R0.7 CC=CCCCC(=O)C MCULE-7957571875 [1,0,1,0,0,0|0,0,0]=2 793 B8R0.7 CC=CCCCC(=O)O MCULE-3300087433 [1,0,1,0,0,0|1,0,0]=3 794 B8R0.7 CCCCCCC(=O)C MCULE-1152821440 [1,0,1,0,0,0|0,0,2]=4 795 B8R0.28 C=C(Br)CCCC(=O)O MCULE-5394609034 [1,0,1,0,0,0|2,0,0]=4 796 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [1,0,1,0,0,0|1,0,0]=3 797 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [1,0,1,0,0,0|1,0,1]=4 798 B8R0.28 C=C(C)CNCC(=C)C MCULE-9045522543 [1,0,1,0,0,0|2,0,0]=4 799 B8R0.28 C=C(C)C[Ru]CC(=C)C MCULE-2245531753 [1,0,1,0,0,0|2,0,0]=4 800 B8R0.28 C=C(C)C[Ru]CC(=C)C MCULE-6961220664 [1,0,1,0,0,0|2,0,0]=4 801 B8R0.28 C=C(Cl)CCCC(=O)O MCULE-9525654231 [1,0,1,0,0,0|2,0,0]=4 802 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [1,0,1,0,0,0|1,0,0]=3 803 B8R0.28 CC(=CCCC(C)N)C MCULE-4339510061 [1,0,1,0,0,0|1,0,1]=4 804 B8R0.28 CC(=CCCC(C)O)C MCULE-6046871097 [1,0,1,0,0,0|0,0,2]=4 805 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-5913564496 [1,0,1,0,0,0|0,0,2]=4 806 B8R0.28 CC(=CCC[C@@H](C)O)C MCULE-8239445037 [1,0,1,0,0,0|0,0,2]=4 807 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-3685132186 [1,0,1,0,0,0|0,0,2]=4 808 B8R0.28 CC(=CCC[C@H](C)O)C MCULE-7339160655 [1,0,1,0,0,0|0,0,2]=4 809 B8R0.28 CC(=O)/C=C/C=C(C)C MCULE-5490143321 [1,0,1,0,0,0|0,0,2]=4 810 B8R0.28 CC(=O)C=CC=C(C)C MCULE-5494168281 [1,0,1,0,0,0|0,0,2]=4 811 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [1,0,1,0,0,0|0,0,2]=4 812 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [1,0,1,0,0,0|0,0,0]=2 813 B8R0.28 CC(=O)CCCC(=O)C MCULE-9250637004 [1,0,1,0,0,0|1,0,0]=3 814 B8R0.28 CC(=O)CCCC(=O)N MCULE-8753142022 [1,0,1,0,0,0|2,0,0]=4 815 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [1,0,1,0,0,0|2,0,0]=4 816 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [1,0,1,0,0,0|0,0,1]=3 817 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [1,0,1,0,0,0|1,0,0]=3 818 B8R0.28 CC(=O)CCOC(=O)C MCULE-5123903575 [1,0,1,0,0,0|2,0,0]=4 819 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [1,0,1,0,0,0|1,0,1]=4 820 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [1,0,1,0,0,0|1,0,1]=4 821 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [1,0,1,0,0,0|1,0,1]=4 822 B8R0.28 CC(=O)COCC(=O)C MCULE-1945925794 [1,0,1,0,0,0|2,0,0]=4 823 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [1,0,1,0,0,0|1,0,1]=4 824 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [1,0,1,0,0,0|1,0,1]=4 825 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [1,0,1,0,0,0|1,0,0]=3 826 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [1,0,1,0,0,0|1,0,1]=4 827 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [1,0,1,0,0,0|2,0,0]=4 828 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [1,0,1,0,0,0|1,0,1]=4 829 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [1,0,1,0,0,0|2,0,0]=4 830 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [1,0,1,0,0,0|2,0,0]=4 831 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [1,0,1,0,0,0|2,0,0]=4 832 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [1,0,1,0,0,0|2,0,0]=4 833 B8R0.8 C=CCCC(C)C(=O)N MCULE-4187602833 [1,0,1,0,0,0|1,0,0]=3 834 B8R0.8 C=CCCC(C)C(=O)O MCULE-3089071984 [1,0,1,0,0,0|1,0,0]=3 835 B8R0.8 C=CCCC(N)C(=O)N MCULE-3025865201 [1,0,1,0,0,0|2,0,0]=4 836 B8R0.8 C=CCCC(N)C(=O)N MCULE-6477490851 [1,0,1,0,0,0|2,0,0]=4 837 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [1,0,1,0,0,0|2,0,0]=4 838 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [1,0,1,0,0,0|2,0,0]=4 839 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [1,0,1,0,0,0|2,0,0]=4 840 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [1,0,1,0,0,0|2,0,0]=4 841 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [1,0,1,0,0,0|2,0,0]=4 842 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [1,0,1,0,0,0|2,0,0]=4 843 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [1,0,1,0,0,0|2,0,0]=4 844 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [1,0,1,0,0,0|2,0,0]=4 845 B8R0.8 C=CCOC(C)C(=O)O MCULE-4801958900 [1,0,1,0,0,0|2,0,0]=4 846 B8R0.8 C=CCSC(C)C(=O)O MCULE-4683246165 [1,0,1,0,0,0|2,0,0]=4 847 B8R0.8 CC(=O)C(C)CCC#N MCULE-1571826766 [1,0,1,0,0,0|1,0,1]=4 848 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [1,0,1,0,0,0|0,0,1]=3 849 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [1,0,1,0,0,0|1,0,1]=4 850 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [1,0,1,0,0,0|1,0,1]=4 851 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [1,0,1,0,0,0|1,0,1]=4 852 B8R0.8 CCCCC(N)C(=O)C MCULE-2471947344 [1,0,1,0,0,0|1,0,1]=4 853 B8R0.8 CCCCC(N)C(=O)C MCULE-4947552776 [1,0,1,0,0,0|1,0,1]=4 854 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [1,0,1,0,0,0|1,0,1]=4 855 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [1,0,1,0,0,0|1,0,1]=4 856 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [1,0,1,0,0,0|1,0,1]=4 857 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [1,0,1,0,0,0|2,0,0]=4 858 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [1,0,1,0,0,0|2,0,0]=4 859 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [1,0,1,0,0,0|2,0,0]=4 860 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [1,0,1,0,0,0|1,0,1]=4 861 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [1,0,1,0,0,0|0,0,2]=4 862 B8R0.15 C=CCC(C#N)C(=O)C MCULE-6642966636 [1,0,1,0,0,0|1,0,1]=4 863 B8R0.15 C=CCC(CC)C(=O)O MCULE-8599414655 [1,0,1,0,0,0|1,0,0]=3 864 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [1,0,1,0,0,0|0,0,1]=3 865 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [1,0,1,0,0,0|1,0,1]=4 866 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [1,0,1,0,0,0|2,0,0]=4 867 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [1,0,1,0,0,0|2,0,0]=4 868 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [1,0,1,0,0,0|2,0,0]=4 869 B8R1.2 C=CC1CC=CCC1 MCULE-1027409234 [2,0,0,0,0,0|0,0,1]=3 870 B8R1.2 COC1CCC=CO1 MCULE-2948054141 [2,0,0,0,0,0|2,0,0]=4 871 B8R1.2 N#CC1CC=CCC1 MCULE-5539705416 [2,0,0,0,0,0|1,0,1]=4 872 B8R1.2 NCC1CC=CCC1 MCULE-9374023591 [2,0,0,0,0,0|1,0,1]=4 873 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [2,0,0,0,0,0|0,0,2]=4 874 B8R1.2 O=CC1CC=CCC1 MCULE-4752119585 [2,0,0,0,0,0|0,0,0]=2 875 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [2,0,0,0,0,0|1,0,0]=3 876 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [2,0,0,0,0,0|0,0,2]=4 877 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [2,0,0,0,0,0|1,0,1]=4 878 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [2,0,0,0,0,0|1,0,1]=4 879 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [2,0,0,0,0,0|1,0,1]=4 880 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [2,0,0,0,0,0|1,0,1]=4 881 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [2,0,0,0,0,0|1,0,1]=4 882 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [2,0,0,0,0,0|1,0,1]=4 883 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [2,0,0,0,0,0|1,0,1]=4 884 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [2,0,0,0,0,0|1,0,1]=4 885 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [2,0,0,0,0,0|1,0,0]=3 886 B8R1.2 O=NN1CC=CCC1 MCULE-2216609455 [2,0,0,0,0,0|2,0,0]=4 887 B8R1.2 OCC1CC=CCC1 MCULE-7843809650 [2,0,0,0,0,0|0,0,2]=4 888 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [2,0,0,0,0,0|0,0,2]=4 889 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [2,0,0,0,0,0|0,0,1]=3 890 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [2,0,0,0,0,0|1,0,0]=3 891 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [2,0,0,0,0,0|1,0,1]=4 892 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [2,0,0,0,0,0|1,0,0]=3 893 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [2,0,0,0,0,0|1,0,1]=4 894 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [2,0,0,0,0,0|1,0,1]=4 895 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [2,0,0,0,0,0|2,0,0]=4 896 B8R1.3 CC1CCC(CC1)C MCULE-8970080763 [2,0,0,0,0,0|0,0,2]=4 897 B8R1.3 CC1CCC(NC1)C MCULE-5442214938 [2,0,0,0,0,0|1,0,1]=4 898 B8R1.3 CC1CCN(CC1)C MCULE-6129657861 [2,0,0,0,0,0|1,0,1]=4 899 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [2,0,0,0,0,0|2,0,0]=4 900 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [2,0,0,0,0,0|2,0,0]=4 901 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [2,0,0,0,0,0|2,0,0]=4 902 B8R1.3 C[C@H]1CC[C@H](CC1)C MCULE-5381492320 [2,0,0,0,0,0|0,0,2]=4 903 B8R1.3 NC1CC=C(CC1)F MCULE-2544035375 [2,0,0,0,0,0|2,0,0]=4 904 B8R1.3 NC1CC=C(CC1)F MCULE-8564869491 [2,0,0,0,0,0|2,0,0]=4 905 B8R1.3 [C@@H]1(CC[C@@H](CC1)C)C MCULE-9917903475 [2,0,0,0,0,0|0,0,2]=4 906 B10R0.3 C/C(=C\CO)/CCCC(C)C MCULE-2452185402 [0,1,1,0,0,0|1,0,1]=4 907 B10R0.3 C=C(C)CCCC(=CC=O)C MCULE-3325268372 [0,1,1,0,0,0|1,0,1]=4 908 B10R0.3 CC(=CCC/C(=C/CBr)/C)C MCULE-9024059261 [0,1,1,0,0,0|1,0,1]=4 909 B10R0.3 CC(=CCC/C(=C/CCl)/C)C MCULE-6843014043 [0,1,1,0,0,0|1,0,1]=4 910 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-7548252563 [0,1,1,0,0,0|1,0,1]=4 911 B10R0.3 CC(=CCC/C(=C/CN)/C)C MCULE-9951707217 [0,1,1,0,0,0|1,0,1]=4 912 B10R0.3 CC(=CCC/C(=C/CO)/C)C MCULE-9442424770 [0,1,1,0,0,0|1,0,1]=4 913 B10R0.3 CC(=CCC/C(=C\CO)/C)C MCULE-9192624300 [0,1,1,0,0,0|1,0,1]=4 914 B10R0.3 CC(=CCCC(=CCBr)C)C MCULE-5311545534 [0,1,1,0,0,0|1,0,1]=4 915 B10R0.3 CC(=CCCC(=CCCl)C)C MCULE-7655016155 [0,1,1,0,0,0|1,0,1]=4 916 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4232398028 [0,1,1,0,0,0|1,0,1]=4 917 B10R0.3 CC(=CCCC(=CCN)C)C MCULE-4493382694 [0,1,1,0,0,0|1,0,1]=4 918 B10R0.3 CC(=CCCC(=CCO)C)C MCULE-8438901369 [0,1,1,0,0,0|1,0,1]=4 919 B10R0.3 CC(=CCO)CCCC(C)C MCULE-2627205641 [0,1,1,0,0,0|1,0,1]=4 920 B10R0.3 CCCC(C)CCCC(=O)C MCULE-6836595014 [0,1,1,0,0,0|0,0,2]=4 921 B10R0.3 CCOC(=O)CCCC(=O)C MCULE-7629371322 [0,1,1,0,0,0|1,0,1]=4 922 B10R0.44 CCC(=CC(C)CC(C)C)C MCULE-4117888672 [0,1,1,0,0,0|1,0,1]=4 923 B10R0.57 CON(C)C(=O)CCC(=O)C MCULE-8341750575 [0,1,1,0,0,0|2,0,0]=4 924 B10R0.59 CCC(=O)CCCC(=O)OC MCULE-7955202588 [0,1,1,0,0,0|1,0,1]=4 925 B10R0.59 CCC(C)NCCC(=O)NC MCULE-6780217181 [0,1,1,0,0,0|1,0,1]=4 926 B10R0.59 CCC(C)NCCC(=O)OC MCULE-1748183130 [0,1,1,0,0,0|1,0,1]=4 927 B10R0.59 COC(=O)CCCC(=O)OC MCULE-2878617545 [0,1,1,0,0,0|2,0,0]=4 928 B10R0.77 CCN(CC)CCCC(=O)C MCULE-8942169572 [0,1,1,0,0,0|1,0,1]=4 929 B10R0.98 CC(=O)CCCC(C)C(=O)O MCULE-5760169093 [0,1,1,0,0,0|1,0,1]=4 930 B10R0.98 CC(=O)N(C)CCCC(=O)O MCULE-1764265267 [0,1,1,0,0,0|2,0,0]=4 931 B10R0.13 CC(=O)C(C)C(C)CC(=O)O MCULE-2467523561 [0,1,1,0,0,0|2,0,0]=4 932 B10R0.43 CC(=CCC(C)(C)C(=O)O)C MCULE-1024942776 [0,1,1,0,0,0|1,0,0]=3 933 B10R0.43 CC(=O)C(C)(C)C=C=C(C)C MCULE-4742980061 [0,1,1,0,0,0|0,0,2]=4 934 B10R0.43 CC(=O)C(C)(C)CCC(=O)O MCULE-2019736202 [0,1,1,0,0,0|2,0,0]=4 935 B10R0.43 CC(=O)CCC(C)(C)C(=O)O MCULE-7949244890 [0,1,1,0,0,0|2,0,0]=4 936 B10R0.43 CC(=O)CNC(C)(C)C(=O)C MCULE-1173600330 [0,1,1,0,0,0|2,0,0]=4 937 B10R0.43 CC(=O)CNC(C)(C)C(=O)C MCULE-4157178396 [0,1,1,0,0,0|2,0,0]=4 938 B10R0.84 C=C(C)C(CO)CC=C(C)C MCULE-7153937278 [0,1,1,0,0,0|1,0,0]=3 939 B10R0.84 C=C(C)[C@H](CO)CC=C(C)C MCULE-4931313318 [0,1,1,0,0,0|1,0,0]=3 940 B10R0.84 CCC(CCC(=O)C)C(=O)O MCULE-2983781440 [0,1,1,0,0,0|2,0,0]=4 941 B10R0.92 CC(=O)C(C)CNC(C)(C)C MCULE-1776116537 [0,1,1,0,0,0|1,0,1]=4 942 B10R0.92 CC(=O)C(C)CNC(C)(C)C MCULE-8238218694 [0,1,1,0,0,0|1,0,1]=4 943 B10R0.17 CC(C)[C@H](C/C=C/Cl)C(=O)O MCULE-9725472757 [0,1,1,0,0,0|2,0,0]=4 944 B10R0.17 CC(C)[C@H](CC=CCl)C(=O)O MCULE-1428480146 [0,1,1,0,0,0|2,0,0]=4 945 B10R0.85 CCCCC(CC)C(=O)NC MCULE-4302699577 [0,1,1,0,0,0|0,0,2]=4 946 B10R0.85 CCCCC(CC)C(=O)OC MCULE-4166830485 [0,1,1,0,0,0|0,0,2]=4 947 B10R0.86 CCCCCC(CC)C(=O)C MCULE-1913128605 [0,1,1,0,0,0|0,0,2]=4 948 B10R0.88 CCCCC(CCC)C(=O)C MCULE-9579571137 [0,1,1,0,0,0|0,0,2]=4 949 B10R1.1 CC1=CCN(CC1)CCN MCULE-2048950433 [1,1,0,0,0,0|1,0,1]=4 950 B10R1.1 CC1=CCN(CC1)CCN MCULE-9561391967 [1,1,0,0,0,0|1,0,1]=4 951 B10R1.1 CCCC1CC=C(CC1)Br MCULE-4658359567 [1,1,0,0,0,0|1,0,1]=4 952 B10R1.1 CN1CCC(CC1)CC=O MCULE-6560189529 [1,1,0,0,0,0|1,0,1]=4 953 B10R1.3 CCC1CCC(CC1)C=O MCULE-3949790436 [1,1,0,0,0,0|0,0,2]=4 954 B10R1.3 CCN1CCC(CC1)C=O MCULE-3854678661 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.3 CC[C@H]1CC[C@@H](CC1)C=O MCULE-2034914930 [1,1,0,0,0,0|0,0,2]=4 956 B10R1.3 COC1CCC(CC1)C=O MCULE-5122127738 [1,1,0,0,0,0|0,0,2]=4 957 B10R1.3 O=CC1CCC(CC1)CO MCULE-3798299648 [1,1,0,0,0,0|0,0,2]=4 958 B10R1.25 CC1=CC(C(CC1)C=O)C MCULE-4834546197 [1,1,0,0,0,0|0,0,0]=2 959 B10R1.25 CC1=CCC(C(C1)C)C=O MCULE-3523834387 [1,1,0,0,0,0|0,0,0]=2 960 B10R1.25 CC1CCC(C(C1)C)C=O MCULE-2384784385 [1,1,0,0,0,0|0,0,2]=4 961 B10R1.26 CC1(CCC(CC1)C=O)C MCULE-2679088241 [1,1,0,0,0,0|0,0,2]=4 962 B10R1.26 CC1(CCC(CO1)C=O)C MCULE-6081039360 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.176 CC1=C(CC(CC1)C=O)C MCULE-4392799968 [1,1,0,0,0,0|0,0,0]=2 964 B10R1.473 CC1=CCC(CC1)(C)CN MCULE-6797181909 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.473 CC1CCC(CC1)(C)C=O MCULE-8964888241 [1,1,0,0,0,0|0,0,2]=4 966 B10R1.473 CN1CCC(CC1)(C)C=O MCULE-4108432519 [1,1,0,0,0,0|1,0,1]=4 967 B10R1.473 CN1CCC(CC1)(C)C=O MCULE-8610851579 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-4117287216 [1,1,0,0,0,0|1,0,1]=4 969 B10R1.15 C1(CCCNC1)C(=O)OC MCULE-8091301795 [1,1,0,0,0,0|1,0,1]=4 970 B10R1.15 CCC(=O)C1CCCCC1 MCULE-8203276385 [1,1,0,0,0,0|0,0,2]=4 971 B10R1.15 CCC(=O)C1CCCNC1 MCULE-3629175971 [1,1,0,0,0,0|1,0,1]=4 972 B10R1.15 CCC(=O)C1CCCOC1 MCULE-5033322176 [1,1,0,0,0,0|1,0,1]=4 973 B10R1.15 CCC(=O)C1CCNCC1 MCULE-3461762998 [1,1,0,0,0,0|1,0,1]=4 974 B10R1.15 CCC(=O)C1CCNCC1 MCULE-9712207477 [1,1,0,0,0,0|1,0,1]=4 975 B10R1.15 CCC(=O)C1CCOCC1 MCULE-4852927980 [1,1,0,0,0,0|1,0,1]=4 976 B10R1.15 CNC(=O)C1CC=CCC1 MCULE-7109143487 [1,1,0,0,0,0|0,0,0]=2 977 B10R1.15 CNC(=O)C1CCCCC1 MCULE-4980742243 [1,1,0,0,0,0|0,0,2]=4 978 B10R1.15 CNC(=O)C1CCCNC1 MCULE-2978981353 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.15 CNC(=O)C1CCCNC1 MCULE-6838149669 [1,1,0,0,0,0|1,0,1]=4 980 B10R1.15 CNC(=O)C1CCCNC1 MCULE-7320118999 [1,1,0,0,0,0|1,0,1]=4 981 B10R1.15 CNC(=O)C1CCNCC1 MCULE-4891387097 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.15 CNC(=O)C1CCNCC1 MCULE-7627125289 [1,1,0,0,0,0|1,0,1]=4 983 B10R1.15 CNC(=O)C1CCOCC1 MCULE-3532223730 [1,1,0,0,0,0|1,0,1]=4 984 B10R1.15 CNC(=O)[C@@H]1CCCNC1 MCULE-4458584627 [1,1,0,0,0,0|1,0,1]=4 985 B10R1.15 CNC(=O)[C@@H]1CCCNC1 MCULE-7833506495 [1,1,0,0,0,0|1,0,1]=4 986 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-4306456945 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-6354630655 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.15 CNC(=O)[C@H]1CCCNC1 MCULE-9283058450 [1,1,0,0,0,0|1,0,1]=4 989 B10R1.15 COC(=O)C1CC=CCC1 MCULE-8019345323 [1,1,0,0,0,0|0,0,0]=2 990 B10R1.15 COC(=O)C1CC=CCN1 MCULE-5717808763 [1,1,0,0,0,0|1,0,0]=3 991 B10R1.15 COC(=O)C1CCCCC1 MCULE-6850082589 [1,1,0,0,0,0|0,0,2]=4 992 B10R1.15 COC(=O)C1CCCNC1 MCULE-5215588899 [1,1,0,0,0,0|1,0,1]=4 993 B10R1.15 COC(=O)C1CCCNC1 MCULE-8977979820 [1,1,0,0,0,0|1,0,1]=4 994 B10R1.15 COC(=O)C1CCCOC1 MCULE-8852064521 [1,1,0,0,0,0|1,0,1]=4 995 B10R1.15 COC(=O)C1CCNCC1 MCULE-5613020223 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.15 COC(=O)C1CCNCC1 MCULE-9635570834 [1,1,0,0,0,0|1,0,1]=4 997 B10R1.15 COC(=O)C1CCOCC1 MCULE-9277091866 [1,1,0,0,0,0|1,0,1]=4 998 B10R1.15 COC(=O)C1CCSCC1 MCULE-2533530421 [1,1,0,0,0,0|1,0,1]=4 999 B10R1.15 COC(=O)[C@@H]1CC=CCC1 MCULE-5205723165 [1,1,0,0,0,0|0,0,0]=2 1000 B10R1.15 COC(=O)[C@@H]1CC=CCC1 MCULE-8305397953 [1,1,0,0,0,0|0,0,0]=2 1001 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-1357072117 [1,1,0,0,0,0|1,0,1]=4 1002 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-6685948915 [1,1,0,0,0,0|1,0,1]=4 1003 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-7943195603 [1,1,0,0,0,0|1,0,1]=4 1004 B10R1.15 COC(=O)[C@@H]1CCCNC1 MCULE-8245028670 [1,1,0,0,0,0|1,0,1]=4 1005 B10R1.15 COC(=O)[C@H]1CC=CCC1 MCULE-1381229233 [1,1,0,0,0,0|0,0,0]=2 1006 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-1258591863 [1,1,0,0,0,0|1,0,1]=4 1007 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-2913297882 [1,1,0,0,0,0|1,0,1]=4 1008 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-7994934831 [1,1,0,0,0,0|1,0,1]=4 1009 B10R1.15 COC(=O)[C@H]1CCCNC1 MCULE-9664872744 [1,1,0,0,0,0|1,0,1]=4 1010 B10R1.15 COC(=O)[C@H]1CCCOC1 MCULE-3895837022 [1,1,0,0,0,0|1,0,1]=4 1011 B10R1.15 NCC(=O)C1CCCCC1 MCULE-5312619543 [1,1,0,0,0,0|0,0,2]=4 1012 B10R1.15 NCC(=O)C1CCCCC1 MCULE-8215004471 [1,1,0,0,0,0|0,0,2]=4 1013 B10R1.15 NNC(=O)C1CC=CCC1 MCULE-9824461526 [1,1,0,0,0,0|1,0,0]=3 1014 B10R1.15 O=C(CBr)C1CCCCC1 MCULE-1828005520 [1,1,0,0,0,0|0,0,2]=4 1015 B10R1.15 O=C(CBr)C1CCCOC1 MCULE-9091642966 [1,1,0,0,0,0|1,0,1]=4 1016 B10R1.15 O=C(CBr)C1CCOCC1 MCULE-2334595244 [1,1,0,0,0,0|1,0,1]=4 1017 B10R1.15 O=C(CCl)C1CCCCC1 MCULE-1798641564 [1,1,0,0,0,0|0,0,2]=4 1018 B10R1.15 O=C(CCl)C1CCOCC1 MCULE-3211197448 [1,1,0,0,0,0|1,0,1]=4 1019 B10R1.15 O=C(CO)C1CCCCC1 MCULE-7711081081 [1,1,0,0,0,0|0,0,2]=4 1020 B10R1.28 CC(C)(C)C1CC=CCC1 MCULE-7705781017 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.28 O=S(=O)(Cl)C1CC=CCC1 MCULE-5338190743 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.28 O=S(=O)(F)C1CC=CCC1 MCULE-3200518085 [1,1,0,0,0,0|2,0,0]=4 1023 B10R1.61 CC(=O)C1CCCCC1C MCULE-9283684652 [1,1,0,0,0,0|0,0,2]=4 1024 B10R1.61 CC(=O)C1CCCCC1F MCULE-4625331195 [1,1,0,0,0,0|0,0,2]=4 1025 B10R1.61 CC(=O)C1CCCCC1N MCULE-2419182932 [1,1,0,0,0,0|0,0,2]=4 1026 B10R1.61 CC(=O)C1CCCCC1N MCULE-6311029678 [1,1,0,0,0,0|0,0,2]=4 1027 B10R1.61 CC1CC=CCC1C(=O)O MCULE-9141456284 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.61 NC(=O)C1CC=CCC1N MCULE-2161108232 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.61 NC(=O)C1CC=CCC1N MCULE-3871276776 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-2158727978 [1,1,0,0,0,0|1,0,0]=3 1031 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4418712159 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4498785860 [1,1,0,0,0,0|1,0,0]=3 1033 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-4657399850 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-8109711316 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.61 NC(=O)[C@@H]1CC=CC[C@H]1N MCULE-8970935013 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.61 NC1C=CCCC1C(=O)O MCULE-4465863020 [1,1,0,0,0,0|1,0,0]=3 1037 B10R1.61 NC1C=CCCC1C(=O)O MCULE-7419185648 [1,1,0,0,0,0|1,0,0]=3 1038 B10R1.61 NC1CC=CCC1C(=O)O MCULE-1611474561 [1,1,0,0,0,0|1,0,0]=3 1039 B10R1.61 NC1CC=CCC1C(=O)O MCULE-7218542670 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-5919685636 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-7012622007 [1,1,0,0,0,0|1,0,0]=3 1042 B10R1.61 N[C@@H]1C=CCC[C@@H]1C(=O)O MCULE-7228704167 [1,1,0,0,0,0|1,0,0]=3 1043 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-2340179433 [1,1,0,0,0,0|1,0,0]=3 1044 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5382709957 [1,1,0,0,0,0|1,0,0]=3 1045 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-5760660665 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.61 N[C@@H]1CC=CC[C@@H]1C(=O)O MCULE-7312327841 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.61 N[C@@H]1CC=CC[C@H]1C(=O)O MCULE-6730051789 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O MCULE-1084812750 [1,1,0,0,0,0|1,0,0]=3 1049 B10R1.61 N[C@H]1C=CCC[C@H]1C(=O)O MCULE-7223852983 [1,1,0,0,0,0|1,0,0]=3 1050 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2088008231 [1,1,0,0,0,0|1,0,0]=3 1051 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-2783014205 [1,1,0,0,0,0|1,0,0]=3 1052 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-4211428411 [1,1,0,0,0,0|1,0,0]=3 1053 B10R1.61 N[C@H]1CC=CC[C@H]1C(=O)O MCULE-6091505598 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-4171786992 [1,1,0,0,0,0|1,0,1]=4 1055 B10R1.113 CC(=O)C1CCCN(C1)C MCULE-6409364695 [1,1,0,0,0,0|1,0,1]=4 1056 B10R1.113 CC(=O)C1CCNC(=O)C1 MCULE-9774471516 [1,1,0,0,0,0|1,0,0]=3 1057 B10R1.113 CC(=O)N1CCCC(=O)C1 MCULE-7455044173 [1,1,0,0,0,0|1,0,1]=4 1058 B10R1.113 CC(=O)N1CCNC(=O)C1 MCULE-6224939697 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.113 CC1=CCCC(C1)C(=O)O MCULE-1528958679 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.113 NC(=O)C1CCCC(=O)C1 MCULE-3502536681 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-4308750395 [1,1,0,0,0,0|1,0,0]=3 1062 B10R1.113 NC1C=CCC(C1)C(=O)O MCULE-5984594154 [1,1,0,0,0,0|1,0,0]=3 1063 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-5349723370 [1,1,0,0,0,0|1,0,0]=3 1064 B10R1.113 N[C@@H]1C=CCC(C1)C(=O)O MCULE-8912699325 [1,1,0,0,0,0|1,0,0]=3 1065 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-1166952810 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.113 N[C@H]1C=CCC(C1)C(=O)O MCULE-4761766781 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.113 O=C(Cl)N1CCC=C(C1)Cl MCULE-8659943892 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.113 O=C(O)[C@@H]1CC=C[C@@H](C1)O MCULE-3205925226 [1,1,0,0,0,0|1,0,0]=3 1069 B10R1.113 O=C1C=CCC(C1)C(=O)O MCULE-3511234259 [1,1,0,0,0,0|1,0,1]=4 1070 B10R1.113 O=C1CC(CCN1)C(=O)O MCULE-8037650535 [1,1,0,0,0,0|2,0,0]=4 1071 B10R1.113 O=C1CCCC(C1)C(=O)O MCULE-6286773194 [1,1,0,0,0,0|1,0,1]=4 1072 B10R1.113 O=C1CCC[C@@H](C1)C(=O)O MCULE-5396925186 [1,1,0,0,0,0|1,0,1]=4 1073 B10R1.113 O=C1CCC[C@H](C1)C(=O)O MCULE-8936667281 [1,1,0,0,0,0|1,0,1]=4 1074 B10R1.113 O=C1C[C@@H](CCN1)C(=O)O MCULE-5205458306 [1,1,0,0,0,0|2,0,0]=4 1075 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-6254957663 [1,1,0,0,0,0|2,0,0]=4 1076 B10R1.113 O=C1C[C@H](CCN1)C(=O)O MCULE-9670666580 [1,1,0,0,0,0|2,0,0]=4 1077 B10R1.363 CC(=O)C1(CCCCC1)Br MCULE-1087745376 [1,1,0,0,0,0|0,0,2]=4 1078 B10R1.363 CC(=O)C1(CCCCC1)C MCULE-2400194377 [1,1,0,0,0,0|0,0,2]=4 1079 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-2403671270 [1,1,0,0,0,0|0,0,2]=4 1080 B10R1.363 CC(=O)C1(CCCCC1)N MCULE-8220968252 [1,1,0,0,0,0|0,0,2]=4 1081 B10R1.363 CC(=O)C1(CCCCC1)O MCULE-8708554984 [1,1,0,0,0,0|0,0,2]=4 1082 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-2089718696 [1,1,0,0,0,0|1,0,1]=4 1083 B10R1.363 CC(=O)C1(CCNCC1)C MCULE-3448978894 [1,1,0,0,0,0|1,0,1]=4 1084 B10R1.363 CC(=O)C1(CCOCC1)C MCULE-6994899414 [1,1,0,0,0,0|1,0,1]=4 1085 B10R1.363 CC(=O)C1(CCOCC1)O MCULE-4174424855 [1,1,0,0,0,0|1,0,1]=4 1086 B10R1.363 CC1(CC=CCC1)C(=O)N MCULE-8468605392 [1,1,0,0,0,0|1,0,0]=3 1087 B10R1.363 CC1(CC=CCC1)C(=O)O MCULE-5814640957 [1,1,0,0,0,0|1,0,0]=3 1088 B10R1.14 C1(CCC(=O)C1)C(=O)OC MCULE-8334918383 [0,1,0,0,1,0|1,0,0]=3 1089 B10R1.14 C1(CCC(=O)N1)C(=O)OC MCULE-5897242243 [0,1,0,0,1,0|2,0,0]=4 1090 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-4635683717 [0,1,0,0,1,0|1,0,1]=4 1091 B10R1.14 C=C1CNC(C1)C(=O)OC MCULE-9917502383 [0,1,0,0,1,0|1,0,1]=4 1092 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-2960661877 [0,1,0,0,1,0|1,0,1]=4 1093 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-3356870567 [0,1,0,0,1,0|1,0,1]=4 1094 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5709460460 [0,1,0,0,1,0|1,0,1]=4 1095 B10R1.14 C=C1CN[C@@H](C1)C(=O)OC MCULE-5969395974 [0,1,0,0,1,0|1,0,1]=4 1096 B10R1.14 CNC(=O)[C@@H]1CC[C@@H](C1)N MCULE-2223613184 [0,1,0,0,1,0|1,0,1]=4 1097 B10R1.14 CNC(=O)[C@@H]1CC[C@@H](C1)N MCULE-6627777957 [0,1,0,0,1,0|1,0,1]=4 1098 B10R1.14 CNC(=O)[C@@H]1CC[C@H](C1)N MCULE-1661578120 [0,1,0,0,1,0|1,0,1]=4 1099 B10R1.14 CNC(=O)[C@@H]1CC[C@H](C1)N MCULE-3597072221 [0,1,0,0,1,0|1,0,1]=4 1100 B10R1.14 CNC(=O)[C@@H]1CC[C@H](C1)N MCULE-3658690331 [0,1,0,0,1,0|1,0,1]=4 1101 B10R1.14 CNC(=O)[C@@H]1CC[C@H](C1)N MCULE-3781359466 [0,1,0,0,1,0|1,0,1]=4 1102 B10R1.14 COC(=O)C1=CC(=O)CC1 MCULE-9756040651 [0,1,0,0,1,0|1,0,1]=4 1103 B10R1.14 COC(=O)C1C=CC(=O)C1 MCULE-4348671758 [0,1,0,0,1,0|1,0,1]=4 1104 B10R1.14 COC(=O)C1CC(=NO1)C MCULE-8323085311 [0,1,0,0,1,0|2,0,0]=4 1105 B10R1.14 COC(=O)C1CC(=O)CO1 MCULE-2471814999 [0,1,0,0,1,0|2,0,0]=4 1106 B10R1.14 COC(=O)C1CCC(=O)C1 MCULE-5952382453 [0,1,0,0,1,0|1,0,0]=3 1107 B10R1.14 COC(=O)C1CCC(=O)N1 MCULE-2849406517 [0,1,0,0,1,0|2,0,0]=4 1108 B10R1.14 COC(=O)C1CCC(=O)O1 MCULE-7228187740 [0,1,0,0,1,0|2,0,0]=4 1109 B10R1.14 COC(=O)C1CCC(=S)N1 MCULE-8993064502 [0,1,0,0,1,0|2,0,0]=4 1110 B10R1.14 COC(=O)C1CCC(C1)Br MCULE-4292905898 [0,1,0,0,1,0|1,0,1]=4 1111 B10R1.14 COC(=O)C1CCC(C1)N MCULE-2002050883 [0,1,0,0,1,0|1,0,1]=4 1112 B10R1.14 COC(=O)C1CCC(C1)N MCULE-6014010462 [0,1,0,0,1,0|1,0,1]=4 1113 B10R1.14 COC(=O)C1CCC(C1)O MCULE-3475456621 [0,1,0,0,1,0|1,0,1]=4 1114 B10R1.14 COC(=O)C1CCN(C1)C MCULE-5692618208 [0,1,0,0,1,0|1,0,0]=3 1115 B10R1.14 COC(=O)C1CN(C=N1)C MCULE-4111726589 [0,1,0,0,1,0|2,0,0]=4 1116 B10R1.14 COC(=O)C1CN(C=N1)C MCULE-7038205393 [0,1,0,0,1,0|2,0,0]=4 1117 B10R1.14 COC(=O)C1CNC(=O)C1 MCULE-5678646707 [0,1,0,0,1,0|2,0,0]=4 1118 B10R1.14 COC(=O)C1COC(=N1)C MCULE-1326670176 [0,1,0,0,1,0|2,0,0]=4 1119 B10R1.14 COC(=O)C1CSC(=N1)C MCULE-4678432403 [0,1,0,0,1,0|2,0,0]=4 1120 B10R1.14 COC(=O)N1CCC(=O)C1 MCULE-3207036153 [0,1,0,0,1,0|2,0,0]=4 1121 B10R1.14 COC(=O)[C@@H]1CCC(=N1)S MCULE-7178838444 [0,1,0,0,1,0|2,0,0]=4 1122 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-7952909342 [0,1,0,0,1,0|1,0,0]=3 1123 B10R1.14 COC(=O)[C@@H]1CCC(=O)C1 MCULE-8638772412 [0,1,0,0,1,0|1,0,0]=3 1124 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-6776274122 [0,1,0,0,1,0|2,0,0]=4 1125 B10R1.14 COC(=O)[C@@H]1CCC(=O)N1 MCULE-8837580582 [0,1,0,0,1,0|2,0,0]=4 1126 B10R1.14 COC(=O)[C@@H]1CCC(=O)O1 MCULE-7346796735 [0,1,0,0,1,0|2,0,0]=4 1127 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5290595526 [0,1,0,0,1,0|1,0,1]=4 1128 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-5583492414 [0,1,0,0,1,0|1,0,1]=4 1129 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7887655347 [0,1,0,0,1,0|1,0,1]=4 1130 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8575060963 [0,1,0,0,1,0|1,0,1]=4 1131 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-2058582855 [0,1,0,0,1,0|1,0,1]=4 1132 B10R1.14 COC(=O)[C@@H]1CC[C@@H](C1)O MCULE-5432347510 [0,1,0,0,1,0|1,0,1]=4 1133 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1643472314 [0,1,0,0,1,0|1,0,1]=4 1134 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-1990922940 [0,1,0,0,1,0|1,0,1]=4 1135 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-6782857130 [0,1,0,0,1,0|1,0,1]=4 1136 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)N MCULE-9884963881 [0,1,0,0,1,0|1,0,1]=4 1137 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-1118474224 [0,1,0,0,1,0|1,0,1]=4 1138 B10R1.14 COC(=O)[C@@H]1CC[C@H](C1)O MCULE-9373995272 [0,1,0,0,1,0|1,0,1]=4 1139 B10R1.14 COC(=O)[C@@H]1CNC(=O)C1 MCULE-9225925550 [0,1,0,0,1,0|2,0,0]=4 1140 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)C MCULE-2144317031 [0,1,0,0,1,0|1,0,1]=4 1141 B10R1.14 COC(=O)[C@@H]1C[C@@H](CN1)C MCULE-9538905492 [0,1,0,0,1,0|1,0,1]=4 1142 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-6859943891 [0,1,0,0,1,0|1,0,0]=3 1143 B10R1.14 COC(=O)[C@H]1CCC(=O)C1 MCULE-7172592478 [0,1,0,0,1,0|1,0,0]=3 1144 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-7163955131 [0,1,0,0,1,0|2,0,0]=4 1145 B10R1.14 COC(=O)[C@H]1CCC(=O)N1 MCULE-8190805012 [0,1,0,0,1,0|2,0,0]=4 1146 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-2949058133 [0,1,0,0,1,0|2,0,0]=4 1147 B10R1.14 COC(=O)[C@H]1CCC(=O)O1 MCULE-7663400355 [0,1,0,0,1,0|2,0,0]=4 1148 B10R1.14 COC(=O)[C@H]1CCC(=S)N1 MCULE-1412233687 [0,1,0,0,1,0|2,0,0]=4 1149 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-4639654853 [0,1,0,0,1,0|1,0,1]=4 1150 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)Br MCULE-7552610243 [0,1,0,0,1,0|1,0,1]=4 1151 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-3698760557 [0,1,0,0,1,0|1,0,1]=4 1152 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-6035569341 [0,1,0,0,1,0|1,0,1]=4 1153 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-7728824085 [0,1,0,0,1,0|1,0,1]=4 1154 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)N MCULE-9095267083 [0,1,0,0,1,0|1,0,1]=4 1155 B10R1.14 COC(=O)[C@H]1CC[C@@H](C1)O MCULE-5555455830 [0,1,0,0,1,0|1,0,1]=4 1156 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1428316255 [0,1,0,0,1,0|1,0,1]=4 1157 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-1825834657 [0,1,0,0,1,0|1,0,1]=4 1158 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-2834462513 [0,1,0,0,1,0|1,0,1]=4 1159 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-5809473178 [0,1,0,0,1,0|1,0,1]=4 1160 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6051273141 [0,1,0,0,1,0|1,0,1]=4 1161 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)N MCULE-6835025811 [0,1,0,0,1,0|1,0,1]=4 1162 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-5194030962 [0,1,0,0,1,0|1,0,1]=4 1163 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9211450556 [0,1,0,0,1,0|1,0,1]=4 1164 B10R1.14 COC(=O)[C@H]1CC[C@H](C1)O MCULE-9901379045 [0,1,0,0,1,0|1,0,1]=4 1165 B10R1.14 COC(=O)[C@H]1CNC(=O)C1 MCULE-9231955159 [0,1,0,0,1,0|2,0,0]=4 1166 B10R1.14 NCC(=O)N1CCC(=O)C1 MCULE-2201642206 [0,1,0,0,1,0|2,0,0]=4 1167 B10R1.14 O=C1CCN(C1)C(=O)CCl MCULE-5414041375 [0,1,0,0,1,0|2,0,0]=4 1168 B10R1.14 [C@@H]1(CNC(=O)C1)C(=O)OC MCULE-5277165389 [0,1,0,0,1,0|2,0,0]=4 1169 B10R1.14 [C@H]1(CCC(=O)O1)C(=O)OC MCULE-8761301192 [0,1,0,0,1,0|2,0,0]=4 1170 B10R1.14 [C@H]1(CCC(=S)N1)C(=O)OC MCULE-6420555771 [0,1,0,0,1,0|2,0,0]=4 1171 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)Br MCULE-3396007386 [0,1,0,0,1,0|1,0,1]=4 1172 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-4947096311 [0,1,0,0,1,0|1,0,1]=4 1173 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)N MCULE-6857998793 [0,1,0,0,1,0|1,0,1]=4 1174 B10R1.14 [C@H]1(CC[C@H](C1)C(=O)OC)O MCULE-9908119773 [0,1,0,0,1,0|1,0,1]=4 1175 B10R1.14 [C@H]1(CNC(=O)C1)C(=O)OC MCULE-1672375650 [0,1,0,0,1,0|2,0,0]=4 1176 B10R1.31 CC(=O)N1CCC(C1)CBr MCULE-3020413135 [0,1,0,0,1,0|1,0,1]=4 1177 B10R1.31 CC(=O)N1CCC(C1)CCl MCULE-1152731821 [0,1,0,0,1,0|1,0,1]=4 1178 B10R1.31 CC(=O)N1CCC(C1)CI MCULE-4140593901 [0,1,0,0,1,0|1,0,1]=4 1179 B10R1.31 CC(=O)N1CCC(C1)CN MCULE-1403031762 [0,1,0,0,1,0|1,0,1]=4 1180 B10R1.31 CC(=O)N1CCC(C1)CN MCULE-1933467126 [0,1,0,0,1,0|1,0,1]=4 1181 B10R1.31 CC(=O)N1CCC(C1)CO MCULE-5247358570 [0,1,0,0,1,0|1,0,1]=4 1182 B10R1.31 CC(=O)N1CC[C@@H](C1)CO MCULE-3163945323 [0,1,0,0,1,0|1,0,1]=4 1183 B10R1.31 CC(=O)N1CC[C@@H](C1)CO MCULE-5491599910 [0,1,0,0,1,0|1,0,1]=4 1184 B10R1.31 CC(=O)N1CC[C@H](C1)CO MCULE-2897214159 [0,1,0,0,1,0|1,0,1]=4 1185 B10R1.31 CCN1CCC(C1)C(=O)O MCULE-6987605321 [0,1,0,0,1,0|2,0,0]=4 1186 B10R1.31 CNC1CCN(C1)C(=O)C MCULE-6294952190 [0,1,0,0,1,0|1,0,1]=4 1187 B10R1.31 CN[C@@H]1CCN(C1)C(=O)C MCULE-8796112560 [0,1,0,0,1,0|1,0,1]=4 1188 B10R1.31 CN[C@H]1CCN(C1)C(=O)C MCULE-8490146335 [0,1,0,0,1,0|1,0,1]=4 1189 B10R1.31 COC1CCC(C1)C(=O)O MCULE-5189432372 [0,1,0,0,1,0|1,0,1]=4 1190 B10R1.31 CO[C@H]1CC[C@@H](C1)C(=O)O MCULE-8255434197 [0,1,0,0,1,0|1,0,1]=4 1191 B10R1.31 CO[C@H]1CC[C@H](C1)C(=O)O MCULE-3942607370 [0,1,0,0,1,0|1,0,1]=4 1192 B10R1.31 O=C(O)C1CCC(=NO)C1 MCULE-1447348290 [0,1,0,0,1,0|2,0,0]=4 1193 B10R1.58 CN1CC(CC1=O)C(=O)Cl MCULE-9051911562 [0,1,0,0,1,0|2,0,0]=4 1194 B10R1.58 CN1CC(CC1=O)C(=O)N MCULE-2567228609 [0,1,0,0,1,0|2,0,0]=4 1195 B10R1.58 CN1CC(CC1=O)C(=O)O MCULE-2604682023 [0,1,0,0,1,0|2,0,0]=4 1196 B10R1.58 CN1C[C@@H](CC1=O)C(=O)O MCULE-4410278134 [0,1,0,0,1,0|2,0,0]=4 1197 B10R1.59 C=C1C[C@@H]([C@@H](C1)C(=O)O)N MCULE-9822470688 [0,1,0,0,1,0|1,0,1]=4 1198 B10R1.59 CC(=O)N1CC(=CC1=O)C MCULE-5018773195 [0,1,0,0,1,0|1,0,1]=4 1199 B10R1.194 CC(=O)C1CCN(C1=O)C MCULE-9271914398 [0,1,0,0,1,0|1,0,0]=3 1200 B10R1.194 CC(=O)C1COC(=O)C1=O MCULE-4315376279 [0,1,0,0,1,0|2,0,0]=4 1201 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-3080880087 [0,1,0,0,1,0|2,0,0]=4 1202 B10R1.194 CC1C(CCN1C)C(=O)O MCULE-8463571511 [0,1,0,0,1,0|2,0,0]=4 1203 B10R1.194 CN1CCC(C1=O)C(=O)O MCULE-9291039298 [0,1,0,0,1,0|2,0,0]=4 1204 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-1037781010 [0,1,0,0,1,0|2,0,0]=4 1205 B10R1.194 C[C@@H]1[C@@H](CCN1C)C(=O)O MCULE-5608694177 [0,1,0,0,1,0|2,0,0]=4 1206 B10R1.359 CC(=O)C1CCC(C1)(F)F MCULE-5021812467 [0,1,0,0,1,0|1,0,1]=4 1207 B10R1.359 CC(=O)C1CCS(=O)(=O)C1 MCULE-7502084743 [0,1,0,0,1,0|2,0,0]=4 1208 B10R1.359 CC(=O)N1CCC(C1)(C)O MCULE-8587632489 [0,1,0,0,1,0|1,0,1]=4 1209 B10R1.359 CC(=O)[C@H]1CCC(C1)(F)F MCULE-6481522414 [0,1,0,0,1,0|1,0,1]=4 1210 B10R1.359 CC1(CCC(C1)C(=O)O)C MCULE-9978136872 [0,1,0,0,1,0|1,0,1]=4 1211 B10R1.470 CC1(CCC(=O)C1)C(=O)O MCULE-8301527257 [0,1,0,0,1,0|2,0,0]=4 1212 B10R1.470 CC1CCC(C1)(C)C(=O)O MCULE-3638409630 [0,1,0,0,1,0|1,0,1]=4 1213 B10R1.470 CN1CCC(C1)(C)C(=O)O MCULE-3111826192 [0,1,0,0,1,0|2,0,0]=4 1214 B10R1.470 CN1CCC(C1)(F)C(=O)O MCULE-3877912842 [0,1,0,0,1,0|2,0,0]=4 1215 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CN MCULE-5542123905 [0,1,0,0,0,1|0,0,2]=4 1216 B12R1.4 CC(=O)N[C@H]1CC[C@@H](CC1)CN MCULE-5696561744 [0,1,0,0,0,1|0,0,2]=4 1217 B12R1.4 CNC1CCC(CC1)NC(=O)C MCULE-8305238153 [0,1,0,0,0,1|0,0,2]=4 1218 B12R1.4 CN[C@H]1CC[C@@H](CC1)NC(=O)C MCULE-8620479288 [0,1,0,0,0,1|0,0,2]=4 1219 B12R1.4 COC1CCC(CC1)NC(=O)C MCULE-5595213317 [0,1,0,0,0,1|0,0,2]=4 1220 B12R1.19 CC(=O)NC1CCC(=O)C(C1)Br MCULE-9306706435 [0,1,0,0,0,1|1,0,1]=4 1221 B12R1.49 CC1CCC(CC1)NC(=O)CCl MCULE-7376604599 [0,1,0,0,0,1|0,0,2]=4 1222 B12R1.49 CN1CCC(CC1)NC(=O)CCl MCULE-7367853305 [0,1,0,0,0,1|1,0,1]=4 1223 B12R1.49 CN1CCC(CC1)NC(=O)CN MCULE-8773123362 [0,1,0,0,0,1|1,0,1]=4 1224 B12R1.49 COC(=O)CC1CCC(=O)CC1 MCULE-5737141883 [0,1,0,0,0,1|1,0,1]=4 1225 B12R1.49 COC(=O)CC1CCC(CC1)C MCULE-9187132605 [0,1,0,0,0,1|0,0,2]=4 1226 B12R1.49 COC(=O)CC1CCN(CC1)C MCULE-5244127080 [0,1,0,0,0,1|1,0,1]=4 1227 B12R1.49 NCC(=O)NC1CCC(=O)CC1 MCULE-3893491660 [0,1,0,0,0,1|1,0,1]=4 1228 B12R1.49 O=C1CCC(CC1)NC(=O)CCl MCULE-4251942861 [0,1,0,0,0,1|1,0,1]=4 1229 B12R1.1658 COC(=O)C1CCCC(=O)CC1 MCULE-5584613241 [0,1,0,0,0,1|1,0,1]=4 1230 B12R1.1658 COC(=O)C1CCNC(=O)CC1 MCULE-7243624422 [0,1,0,0,0,1|1,0,1]=4 1231 B12R1.5 CCC1CCC(CC1)C(=O)OC MCULE-2825372989 [0,2,0,0,0,0|0,0,2]=4 1232 B12R1.5 CCN1CCC(CC1)C(=O)OC MCULE-1072258905 [0,2,0,0,0,0|1,0,1]=4 1233 B12R1.5 CNC(=O)C1CCC(CC1)CN MCULE-4833222802 [0,2,0,0,0,0|0,0,2]=4 1234 B12R1.5 CNC(=O)C1CCC(CC1)CN MCULE-6039401982 [0,2,0,0,0,0|0,0,2]=4 1235 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)CN MCULE-6185178370 [0,2,0,0,0,0|0,0,2]=4 1236 B12R1.5 CNC(=O)[C@H]1CC[C@@H](CC1)CN MCULE-8970114317 [0,2,0,0,0,0|0,0,2]=4 1237 B12R1.5 CN[C@H]1CC[C@@H](CC1)C(=O)OC MCULE-3170971806 [0,2,0,0,0,0|0,0,2]=4 1238 B12R1.5 CN[C@H]1CC[C@@H](CC1)C(=O)OC MCULE-5503457589 [0,2,0,0,0,0|0,0,2]=4 1239 B12R1.5 COC(=O)C1CCC(=NC1)OC MCULE-5780404081 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.5 COC(=O)C1CCC(CC1)CBr MCULE-8832521137 [0,2,0,0,0,0|0,0,2]=4 1241 B12R1.5 COC(=O)C1CCC(CC1)CN MCULE-1571157426 [0,2,0,0,0,0|0,0,2]=4 1242 B12R1.5 COC(=O)C1CCC(CC1)CN MCULE-5739761627 [0,2,0,0,0,0|0,0,2]=4 1243 B12R1.5 COC(=O)C1CCC(CC1)CO MCULE-4449705700 [0,2,0,0,0,0|0,0,2]=4 1244 B12R1.5 COC(=O)[C@@H]1CC[C@H](NC1)CO MCULE-8005405235 [0,2,0,0,0,0|1,0,1]=4 1245 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)CBr MCULE-4098291757 [0,2,0,0,0,0|0,0,2]=4 1246 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)CN MCULE-4528707998 [0,2,0,0,0,0|0,0,2]=4 1247 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)CN MCULE-6311835886 [0,2,0,0,0,0|0,0,2]=4 1248 B12R1.5 COC(=O)[C@H]1CC[C@@H](CC1)CO MCULE-5965178820 [0,2,0,0,0,0|0,0,2]=4 1249 B12R1.5 COC(=O)[C@H]1CC[C@H](CC1)CN MCULE-2171993588 [0,2,0,0,0,0|0,0,2]=4 1250 B12R1.5 COC(=O)[C@H]1CC[C@H](CC1)CO MCULE-1883384555 [0,2,0,0,0,0|0,0,2]=4 1251 B12R1.6 CC(C)(O)C1CC=C(CC1)CO MCULE-5848458757 [0,2,0,0,0,0|0,0,2]=4 1252 B12R1.113 C=C(C)C1CC=C(CC1)/C=N/O MCULE-7020005137 [0,2,0,0,0,0|1,0,1]=4 1253 B12R1.113 C=C(C)C1CC=C(CC1)C=NO MCULE-7545373619 [0,2,0,0,0,0|1,0,1]=4 1254 B12R1.113 CCCC1CCC(CC1)C(=O)C MCULE-8130598357 [0,2,0,0,0,0|0,0,2]=4 1255 B12R1.256 C=C(C)C1CC=C(CC1)C(=O)O MCULE-2236994087 [0,2,0,0,0,0|1,0,1]=4 1256 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)O MCULE-5123086713 [0,2,0,0,0,0|1,0,1]=4 1257 B12R1.256 C=C(C)[C@@H]1CC=C(CC1)C(=O)O MCULE-7930642870 [0,2,0,0,0,0|1,0,1]=4 1258 B12R1.256 CC(=O)C1CCC(CC1)C(C)C MCULE-5258994760 [0,2,0,0,0,0|0,0,2]=4 1259 B12R1.256 CC(=O)C1CCN(CC1)C(=O)C MCULE-9858862110 [0,2,0,0,0,0|1,0,1]=4 1260 B12R1.256 CC(=O)N1CC=C(CC1)B(O)O MCULE-9870228452 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.452 C=C(C)[C@@H]1CCC(=C[C@H]1O)C=O MCULE-4222256322 [0,2,0,0,0,0|1,0,1]=4 1262 B12R1.23 [C@@H]1(CC=C([C@@H](C1)O)C)C(C)(C)O MCULE-4557661977 [0,2,0,0,0,0|0,0,2]=4 1263 B12R1.22 C=C(C)C1CC=C(C(C1)(C)O)C MCULE-8852979871 [0,2,0,0,0,0|1,0,0]=3 1264 B12R1.56 C=C(C)C1CC=C(/C(=N\O)/C1)C MCULE-4096379819 [0,2,0,0,0,0|1,0,1]=4 1265 B12R1.56 C=C(C)C1CC=C(C(=NO)C1)C MCULE-3929377574 [0,2,0,0,0,0|1,0,1]=4 1266 B12R1.56 C=C(C)[C@H]1CC=C(C(=NO)C1)C MCULE-8408219224 [0,2,0,0,0,0|1,0,1]=4 1267 B12R1.232 CC1=CC(C(CC1O)C(C)C)O MCULE-3726179107 [0,2,0,0,0,0|1,0,1]=4 1268 B12R1.232 CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O MCULE-6022003482 [0,2,0,0,0,0|1,0,1]=4 1269 B12R1.232 CC1=C[C@@H]([C@H](C[C@@H]1O)C(C)C)O MCULE-8793486504 [0,2,0,0,0,0|1,0,1]=4 1270 B12R1.367 COC(=O)C1CCC(=O)C(C1)C MCULE-2168829535 [0,2,0,0,0,0|1,0,1]=4 1271 B12R1.367 COC(=O)C1CCN(C(=O)C1)C MCULE-5760307185 [0,2,0,0,0,0|1,0,0]=3 1272 B12R1.367 COC(=O)[C@H]1CCN(C(=O)C1)C MCULE-9906339707 [0,2,0,0,0,0|1,0,0]=3 1273 B12R1.1005 C=C(C)[C@H]1CC(=O)C(=C(C1)O)C MCULE-3599439258 [0,2,0,0,0,0|1,0,1]=4 1274 B12R1.1645 CC(=O)C1(CCC(=C(O1)C)C)C MCULE-6932270028 [0,2,0,0,0,0|1,0,0]=3 1275 B12R1.1645 CC(=O)[C@@]1(CCC(=C(O1)C)C)C MCULE-1470098948 [0,2,0,0,0,0|1,0,0]=3 1276 B12R1.1645 CC1=C(CC(CC1)(C)C(=O)O)C MCULE-3212175174 [0,2,0,0,0,0|1,0,0]=3 1277 B12R1.16 C=C(CCO)C1CC=C(CC1)C MCULE-1753855464 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.16 C=C1CCC(CC1)C(=O)OCC MCULE-2693571114 [0,2,0,0,0,0|0,0,2]=4 1279 B12R1.16 CCNC(=O)C1CCC(=O)CC1 MCULE-7215597781 [0,2,0,0,0,0|1,0,1]=4 1280 B12R1.16 CCOC(=O)C1=CCC(=CC1)C MCULE-3669955261 [0,2,0,0,0,0|0,0,2]=4 1281 B12R1.16 CCOC(=O)C1CC=C(CC1)Br MCULE-6902134774 [0,2,0,0,0,0|1,0,0]=3 1282 B12R1.16 CCOC(=O)C1CC=C(CC1)F MCULE-7591088018 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.16 CCOC(=O)C1CCC(=O)CC1 MCULE-7718318883 [0,2,0,0,0,0|1,0,1]=4 1284 B12R1.16 CCOC(=O)C1CCC(=O)NC1 MCULE-3427246475 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.16 CCOC(=O)C1CCC(CC1)C MCULE-2348244346 [0,2,0,0,0,0|0,0,2]=4 1286 B12R1.16 CCOC(=O)C1CCN(CC1)C MCULE-6649017287 [0,2,0,0,0,0|1,0,1]=4 1287 B12R1.16 CN1CCC(CC1)C(=O)CC#N MCULE-1804762413 [0,2,0,0,0,0|1,0,1]=4 1288 B12R1.1703 COC(=O)C1CCC(=O)C=C1C MCULE-9361020402 [0,2,0,0,0,0|1,0,1]=4 1289 B12R1.1703 COC(=O)C1CCC(NC1C)C MCULE-6451756797 [0,2,0,0,0,0|1,0,1]=4 1290 B12R1.1703 COC(=O)C1CCC(NC1C)C MCULE-6639560013 [0,2,0,0,0,0|1,0,1]=4 1291 B12R1.1704 COC(=O)C1CCC(NC1)(C)C MCULE-3553085675 [0,2,0,0,0,0|1,0,1]=4 1292 B12R1.1704 COC(=O)C1CC[N+](CC1)(C)C MCULE-6280474813 [0,2,0,0,0,0|1,0,1]=4 1293 B12R1.1704 COC(=O)C1CC[N+](CC1)(C)C MCULE-7988255169 [0,2,0,0,0,0|1,0,1]=4 1294 B12R1.3435 COC(=O)C1(CC=C(CC1)C)C MCULE-7254226548 [0,2,0,0,0,0|0,0,0]=2 1295 B12R1.3435 COC(=O)C1(CCC(=O)CC1)C MCULE-7838384653 [0,2,0,0,0,0|1,0,1]=4 1296 B12R1.3435 COC(=O)C1(CCC(=O)CC1)F MCULE-2662520217 [0,2,0,0,0,0|1,0,1]=4 1297 B12R1.3435 COC(=O)C1(CCC(=O)CC1)N MCULE-5797965824 [0,2,0,0,0,0|1,0,1]=4 1298 B12R1.3435 COC(=O)C1(CCC(CC1)C)C MCULE-6356496195 [0,2,0,0,0,0|0,0,2]=4 1299 B12R1.3435 COC(=O)C1(CCC(CC1)C)N MCULE-7122095226 [0,2,0,0,0,0|0,0,2]=4 1300 B12R1.3435 COC(=O)C1(CCN(CC1)C)C MCULE-4132958822 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.3435 COC(=O)C1(CCN(CC1)C)N MCULE-6207493413 [0,2,0,0,0,0|1,0,1]=4 1302 B12R1.3435 COC(=O)C1(CCN(CC1)C)N MCULE-6635183861 [0,2,0,0,0,0|1,0,1]=4 1303 B12R1.3435 COC(=O)C1(CCN(CC1)C)N MCULE-9905481035 [0,2,0,0,0,0|1,0,1]=4 1304 B12R1.3435 COC(=O)C1(CCN(CC1)C)O MCULE-3709890156 [0,2,0,0,0,0|1,0,1]=4 1305 B12R1.3435 COC(=O)C1(CCN(CC1)C)O MCULE-6133190410 [0,2,0,0,0,0|1,0,1]=4 1306 B10R1.54 CC(=O)CC1CCC(=O)N1 MCULE-5590242632 [0,0,1,1,0,0|2,0,0]=4 1307 B10R1.79 O=C1CCCC(=O)CCC1 MCULE-2006786254 [0,0,1,1,0,0|1,0,1]=4 1308 B10R1.150 COC(=O)CC1CC(=O)C1 MCULE-7681464009 [0,0,1,1,0,0|2,0,0]=4 1309 B10R1.197 CCC1CCCC(=O)CC1 MCULE-9268041087 [0,0,1,1,0,0|0,0,2]=4 1310 B10R1.197 COC1CCCC(=O)CC1 MCULE-1338107491 [0,0,1,1,0,0|1,0,1]=4 1311 B10R1.408 COC(=O)C1CC1C(=O)C MCULE-9692510329 [0,0,1,1,0,0|2,0,0]=4 1312 B10R1.147 CC1CCC(CC1=O)(C)C MCULE-4890293189 [0,0,1,1,0,0|0,0,2]=4 1313 B10R1.332 CN1CCC(=O)CCC1=O MCULE-5398192848 [0,0,1,1,0,0|2,0,0]=4 1314 B10R1.19 CCC1CCCCCC1=O MCULE-8032779658 [0,0,1,1,0,0|0,0,2]=4 1315 B10R1.29 CCCCC1CCCC1=O MCULE-7853231747 [0,0,1,1,0,0|0,0,2]=4 1316 B10R1.29 CCOCC1CCCC1=O MCULE-9114631954 [0,0,1,1,0,0|1,0,1]=4 1317 B10R1.29 COCCC1CCCC1=O MCULE-3820027368 [0,0,1,1,0,0|1,0,1]=4 1318 B10R1.348 CC(=O)C1CCCCCC1 MCULE-9324503120 [0,0,1,1,0,0|0,0,2]=4 1319 B10R2.62 C12CCC(CC1)C(=O)C2 MCULE-8282529338 [1,0,0,1,0,0|0,0,2]=4 1320 B10R2.62 O=C1CC2C=CC1CC2 MCULE-1084971182 [1,0,0,1,0,0|0,0,2]=4 1321 B10R2.62 O=C1CC2CCC1CC2 MCULE-8331389597 [1,0,0,1,0,0|0,0,2]=4 1322 B10R2.62 O=C1CC2CCC1CN2 MCULE-3732970881 [1,0,0,1,0,0|1,0,1]=4 1323 B10R2.62 O=C1CC2CCC1CN2 MCULE-5949700463 [1,0,0,1,0,0|1,0,1]=4 1324 B10R2.62 O=C1CN2CCC1CC2 MCULE-1582448541 [1,0,0,1,0,0|1,0,1]=4 1325 B10R2.62 O=C1C[C@H]2C=C[C@@H]1CC2 MCULE-6040839273 [1,0,0,1,0,0|0,0,2]=4 1326 B10R2.62 [NH+]12CCC(CC1)C(=O)C2 MCULE-7751080008 [1,0,0,1,0,0|1,0,1]=4 1327 B10R2.109 O=CC1CCC2CC2C1 MCULE-6480805511 [1,0,0,1,0,0|0,0,2]=4 1328 B10R2.442 O=CC12CCC(C1)CC2 MCULE-1081241272 [1,0,0,1,0,0|0,0,2]=4 1329 B10R2.61 O=C1CC2CCCC1C2 MCULE-9902349455 [1,0,0,1,0,0|0,0,2]=4 1330 B10R2.61 O=C1CC2COCC1C2 MCULE-6820169357 [1,0,0,1,0,0|1,0,1]=4 1331 B10R2.61 O=C1OC2C=CCC1C2 MCULE-3922449822 [1,0,0,1,0,0|1,0,0]=3 1332 B10R2.320 O=C1CC2C1CCCC2 MCULE-8899093243 [1,0,0,1,0,0|0,0,2]=4 1333 B10R2.320 O=C1NC2C1CC=CC2 MCULE-2426219319 [1,0,0,1,0,0|1,0,0]=3 1334 B10R2.320 O=C1NC2C1CCC=C2 MCULE-5387390398 [1,0,0,1,0,0|1,0,0]=3 1335 B10R2.351 O=C(O)C1C2C1SC=C2 MCULE-8194712872 [1,0,0,1,0,0|2,0,0]=4 1336 B10R2.60 O=C1CC2CC1CC2=O MCULE-4162023068 [0,0,0,1,1,0|1,0,0]=3 1337 B10R2.348 NC(=O)C12CCC(C1)C2 MCULE-7319305149 [0,0,0,1,1,0|1,0,1]=4 1338 B10R2.348 O=C(O)C12CCC(C1)C2 MCULE-8219273908 [0,0,0,1,1,0|1,0,1]=4 1339 B12R2.606 O=C1CC2CNC(=O)CC2C1 MCULE-6712553340 [0,0,0,1,0,1|2,0,0]=4 1340 B12R2.1209 CN1CCC2(CC1)CC(=O)C2 MCULE-8761397873 [0,0,0,1,0,1|1,0,1]=4 1341 B12R2.1392 CC(=O)C1CC2C=CC1CC2 MCULE-2232302900 [0,0,0,1,0,1|0,0,2]=4 1342 B12R2.1392 CC(=O)C1CC2CCC1CC2 MCULE-5557212745 [0,0,0,1,0,1|0,0,2]=4 1343 B12R2.3180 [C@@H]12C[C@H](CC[C@@]1(O2)C)C(=O)C MCULE-2675073674 [0,0,0,1,0,1|0,0,2]=4 1344 B12R2.47 CC1([C@@H]2[C@H]1CCC(=C2)CO)C MCULE-9664854346 [0,1,0,1,0,0|1,0,1]=4 1345 B12R2.1957 CC1(C2CC=C(C1C2)CO)C MCULE-3716105747 [0,1,0,1,0,0|1,0,1]=4 1346 B12R2.1957 CC1([C@@H]2CC=C([C@H]1C2)CO)C MCULE-6814504957 [0,1,0,1,0,0|1,0,1]=4 1347 B12R2.1957 [C@H]12CC=C([C@H](C1)C2(C)C)CO MCULE-3081416442 [0,1,0,1,0,0|1,0,1]=4 1348 B12R2.1957 [C@H]12CC=C([C@H](C1)C2(C)C)CO MCULE-6050955307 [0,1,0,1,0,0|1,0,1]=4 1349 B12R2.6473 CC(=O)C12CCC(CC1)CC2 MCULE-8372769811 [0,1,0,1,0,0|0,0,2]=4 1350 B12R2.130 O=C1CCC2CC1CCC2=O MCULE-6636550443 [0,1,0,1,0,0|1,0,1]=4 1351 B12R2.130 [C@@H]12CCC(=O)[C@@H](C1)CCC2=O MCULE-7683880861 [0,1,0,1,0,0|1,0,1]=4 1352 B12R2.3906 CC1=CC2C(C2(C)C)CC1N MCULE-2305460234 [0,1,0,1,0,0|1,0,1]=4 1353 B12R2.3906 CC1=CC2C(C2(C)C)CC1N MCULE-2643941479 [0,1,0,1,0,0|1,0,1]=4 1354 B12R2.3487 COC(=O)C12CCC(C1)CC2 MCULE-2570203241 [0,1,0,1,0,0|0,0,2]=4 1355 B12R2.3487 COC(=O)C12CCN(C1)CC2 MCULE-1307573100 [0,1,0,1,0,0|1,0,1]=4 1356 B12R2.3487 COC(=O)C12CCN(C1)CC2 MCULE-9915891459 [0,1,0,1,0,0|1,0,1]=4 1357 B12R2.766 C12CC(C1(C)C)C(C=C2C)O MCULE-2216758301 [0,1,0,1,0,0|1,0,1]=4 1358 B12R2.766 CC1=C[C@@H](C2CC1C2(C)C)O MCULE-2432339510 [0,1,0,1,0,0|1,0,1]=4 1359 B12R2.766 [C@@H]12C[C@@H](C1(C)C)[C@H](C=C2C)O MCULE-2551341762 [0,1,0,1,0,0|1,0,1]=4 1360 B12R2.766 [C@@H]12C[C@@H](C1(C)C)[C@H](C=C2C)O MCULE-7918435177 [0,1,0,1,0,0|1,0,1]=4 1361 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,0,1,0,1,0|1,0,0]=3 1362 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,0,1,0,1,0|2,0,0]=4 1363 B8R0.23 C=C(C)CC(O)C(=C)C MCULE-6414962881 [0,0,1,0,1,0|2,0,0]=4 1364 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,0,1,0,1,0|2,0,0]=4 1365 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,0,1,0,1,0|1,0,0]=3 1366 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,0,1,0,1,0|2,0,0]=4 1367 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,0,1,0,1,0|2,0,0]=4 1368 B8R0.23 CC(=O)C(=CN(C)C)C MCULE-4886707148 [0,0,1,0,1,0|1,0,1]=4 1369 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,0,1,0,1,0|2,0,0]=4 1370 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,0,1,0,1,0|0,0,1]=3 1371 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,0,1,0,1,0|1,0,1]=4 1372 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,0,1,0,1,0|2,0,0]=4 1373 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,0,1,0,1,0|2,0,0]=4 1374 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,0,1,0,1,0|2,0,0]=4 1375 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,0,1,0,1,0|2,0,0]=4 1376 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,0,1,0,1,0|1,0,1]=4 1377 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,0,1,0,1,0|2,0,0]=4 1378 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,0,1,0,1,0|2,0,0]=4 1379 B8R1.1 C1(CCN(C1)C)NC MCULE-6695451960 [1,0,0,0,1,0|2,0,0]=4 1380 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [1,0,0,0,1,0|0,0,1]=3 1381 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [1,0,0,0,1,0|1,0,1]=4 1382 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [1,0,0,0,1,0|1,0,1]=4 1383 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [1,0,0,0,1,0|1,0,1]=4 1384 B8R1.1 CNC1CCC(C1)C MCULE-2606421374 [1,0,0,0,1,0|1,0,1]=4 1385 B8R1.1 CNC1CCN(C1)C MCULE-6508268802 [1,0,0,0,1,0|2,0,0]=4 1386 B8R1.1 CNC1CCN(C1)C MCULE-8530285406 [1,0,0,0,1,0|2,0,0]=4 1387 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-4467826567 [1,0,0,0,1,0|2,0,0]=4 1388 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-6754872836 [1,0,0,0,1,0|2,0,0]=4 1389 B8R1.1 CN[C@@H]1CCN(C1)C MCULE-8022505695 [1,0,0,0,1,0|2,0,0]=4 1390 B8R1.1 CN[C@H]1CCN(C1)C MCULE-3244360831 [1,0,0,0,1,0|2,0,0]=4 1391 B8R1.1 CN[C@H]1CCN(C1)C MCULE-9444911110 [1,0,0,0,1,0|2,0,0]=4 1392 B8R1.1 CN[C@H]1CCN(C1)C MCULE-9663015668 [1,0,0,0,1,0|2,0,0]=4 1393 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [1,0,0,0,1,0|2,0,0]=4 1394 B8R1.1 CO[C@H]1CCN(C1)C MCULE-3202078388 [1,0,0,0,1,0|2,0,0]=4 1395 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [1,0,0,0,1,0|2,0,0]=4 1396 B8R1.7 C1(CCNC1)C(=O)N MCULE-4476688014 [1,0,0,0,1,0|2,0,0]=4 1397 B8R1.7 C1(CCNC1)C(=O)N MCULE-8592806332 [1,0,0,0,1,0|2,0,0]=4 1398 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [1,0,0,0,1,0|2,0,0]=4 1399 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [1,0,0,0,1,0|2,0,0]=4 1400 B8R1.7 C1(CCOC1)C(=O)O MCULE-4859263225 [1,0,0,0,1,0|2,0,0]=4 1401 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [1,0,0,0,1,0|0,0,2]=4 1402 B8R1.7 CC(=O)C1CCC=N1 MCULE-5434976735 [1,0,0,0,1,0|1,0,0]=3 1403 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [1,0,0,0,1,0|0,0,1]=3 1404 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [1,0,0,0,1,0|1,0,1]=4 1405 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [1,0,0,0,1,0|1,0,1]=4 1406 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [1,0,0,0,1,0|1,0,1]=4 1407 B8R1.7 CC(=O)C1CCNC1 MCULE-2147779518 [1,0,0,0,1,0|1,0,0]=3 1408 B8R1.7 CC(=O)C1CCNC1 MCULE-2964372059 [1,0,0,0,1,0|1,0,0]=3 1409 B8R1.7 CC(=O)C1CCOC1 MCULE-2105633909 [1,0,0,0,1,0|1,0,0]=3 1410 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [1,0,0,0,1,0|1,0,1]=4 1411 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [1,0,0,0,1,0|1,0,1]=4 1412 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [1,0,0,0,1,0|1,0,1]=4 1413 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [1,0,0,0,1,0|1,0,1]=4 1414 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [1,0,0,0,1,0|1,0,1]=4 1415 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [1,0,0,0,1,0|1,0,1]=4 1416 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [1,0,0,0,1,0|1,0,1]=4 1417 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [1,0,0,0,1,0|1,0,1]=4 1418 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [1,0,0,0,1,0|1,0,1]=4 1419 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [1,0,0,0,1,0|1,0,1]=4 1420 B8R1.7 NC(=O)C1CC=CC1 MCULE-5556484257 [1,0,0,0,1,0|1,0,0]=3 1421 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [1,0,0,0,1,0|1,0,1]=4 1422 B8R1.7 NC(=O)C1CCNC1 MCULE-6035608651 [1,0,0,0,1,0|2,0,0]=4 1423 B8R1.7 NC(=O)C1CCNC1 MCULE-8602888952 [1,0,0,0,1,0|2,0,0]=4 1424 B8R1.7 NC(=O)C1CCOC1 MCULE-7120435380 [1,0,0,0,1,0|2,0,0]=4 1425 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [1,0,0,0,1,0|2,0,0]=4 1426 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [1,0,0,0,1,0|2,0,0]=4 1427 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [1,0,0,0,1,0|2,0,0]=4 1428 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [1,0,0,0,1,0|2,0,0]=4 1429 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1320057579 [1,0,0,0,1,0|2,0,0]=4 1430 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-1678228480 [1,0,0,0,1,0|2,0,0]=4 1431 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-3340066069 [1,0,0,0,1,0|2,0,0]=4 1432 B8R1.7 NC(=O)[C@@H]1CCNC1 MCULE-8833406496 [1,0,0,0,1,0|2,0,0]=4 1433 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-1673594093 [1,0,0,0,1,0|2,0,0]=4 1434 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-6725123306 [1,0,0,0,1,0|2,0,0]=4 1435 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-7222756259 [1,0,0,0,1,0|2,0,0]=4 1436 B8R1.7 NC(=O)[C@H]1CCNC1 MCULE-8100234071 [1,0,0,0,1,0|2,0,0]=4 1437 B8R1.7 NC(=O)[C@H]1CCOC1 MCULE-1231475693 [1,0,0,0,1,0|2,0,0]=4 1438 B8R1.7 O=C(Cl)C1CC=CC1 MCULE-8148758182 [1,0,0,0,1,0|1,0,0]=3 1439 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [1,0,0,0,1,0|1,0,1]=4 1440 B8R1.7 O=C(Cl)C1CCOC1 MCULE-9071234830 [1,0,0,0,1,0|2,0,0]=4 1441 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [1,0,0,0,1,0|1,0,0]=3 1442 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [1,0,0,0,1,0|2,0,0]=4 1443 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [1,0,0,0,1,0|2,0,0]=4 1444 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [1,0,0,0,1,0|2,0,0]=4 1445 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [1,0,0,0,1,0|2,0,0]=4 1446 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [1,0,0,0,1,0|2,0,0]=4 1447 B8R1.7 O=C(O)C1CC=CC1 MCULE-7876630177 [1,0,0,0,1,0|1,0,0]=3 1448 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [1,0,0,0,1,0|2,0,0]=4 1449 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [1,0,0,0,1,0|1,0,1]=4 1450 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [1,0,0,0,1,0|2,0,0]=4 1451 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [1,0,0,0,1,0|2,0,0]=4 1452 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [1,0,0,0,1,0|2,0,0]=4 1453 B8R1.7 O=C(O)C1CCOC1 MCULE-3567941338 [1,0,0,0,1,0|2,0,0]=4 1454 B8R1.7 O=C(O)C1CCSC1 MCULE-7898686734 [1,0,0,0,1,0|2,0,0]=4 1455 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [1,0,0,0,1,0|2,0,0]=4 1456 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [1,0,0,0,1,0|2,0,0]=4 1457 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [1,0,0,0,1,0|2,0,0]=4 1458 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [1,0,0,0,1,0|2,0,0]=4 1459 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [1,0,0,0,1,0|2,0,0]=4 1460 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [1,0,0,0,1,0|2,0,0]=4 1461 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [1,0,0,0,1,0|2,0,0]=4 1462 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [1,0,0,0,1,0|2,0,0]=4 1463 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-4807765276 [1,0,0,0,1,0|2,0,0]=4 1464 B8R1.7 O=C(O)[C@@H]1CCOC1 MCULE-7912413581 [1,0,0,0,1,0|2,0,0]=4 1465 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [1,0,0,0,1,0|2,0,0]=4 1466 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [1,0,0,0,1,0|2,0,0]=4 1467 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [1,0,0,0,1,0|2,0,0]=4 1468 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [1,0,0,0,1,0|2,0,0]=4 1469 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [1,0,0,0,1,0|2,0,0]=4 1470 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [1,0,0,0,1,0|2,0,0]=4 1471 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [1,0,0,0,1,0|2,0,0]=4 1472 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-3213766488 [1,0,0,0,1,0|2,0,0]=4 1473 B8R1.7 O=C(O)[C@H]1CCOC1 MCULE-9627397250 [1,0,0,0,1,0|2,0,0]=4 1474 B8R1.7 O=C([O-])C1CCC=N1 MCULE-3235635441 [1,0,0,0,1,0|2,0,0]=4 1475 B8R1.23 C=C1CC(C1)C(=O)C MCULE-4738657819 [0,0,0,0,2,0|0,0,1]=3 1476 B8R1.23 C=C1CC(C1)C(=O)Cl MCULE-2176633503 [0,0,0,0,2,0|1,0,1]=4 1477 B8R1.23 C=C1CC(C1)C(=O)N MCULE-9592937262 [0,0,0,0,2,0|1,0,1]=4 1478 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,0,2,0|1,0,1]=4 1479 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,0,2,0|1,0,1]=4 1480 B8R1.23 CC(=O)N1CC(=O)C1 MCULE-4555368577 [0,0,0,0,2,0|2,0,0]=4 1481 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,0,2,0|1,0,1]=4 1482 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,0,2,0|2,0,0]=4 1483 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,0,2,0|2,0,0]=4 1484 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,0,2,0|2,0,0]=4 1485 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,0,2,0|1,0,1]=4 1486 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,0,2,0|1,0,1]=4 1487 B8R1.23 O=C1CC(C1)C(=O)Cl MCULE-5261758509 [0,0,0,0,2,0|2,0,0]=4 1488 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,0,2,0|2,0,0]=4 1489 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,0,2,0|2,0,0]=4 1490 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,0,2,0|1,0,1]=4 1491 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,0,2,0|0,0,1]=3 1492 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,0,2,0|1,0,1]=4 1493 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,0,2,0|2,0,0]=4 1494 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,0,2,0|2,0,0]=4 1495 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,0,2,0|2,0,0]=4 1496 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,0,2,0|2,0,0]=4 1497 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,0,2,0|2,0,0]=4 1498 B10R0.55 COC(=O)CCCCC(=O)C MCULE-8144817566 [0,0,1,0,0,1|2,0,0]=4 1499 B10R0.96 CC(=O)OCC(C)OC(=O)C MCULE-3307814329 [0,0,1,0,0,1|2,0,0]=4 1500 B10R0.87 CCCCC(CC)CC(=O)C MCULE-4325342616 [0,0,1,0,0,1|0,0,2]=4 1501 B10R0.87 CCCCC(CC)OC(=O)C MCULE-2257138546 [0,0,1,0,0,1|0,0,2]=4 1502 B10R1.18 CC(=O)CC1CCCCC1 MCULE-4557008527 [1,0,0,0,0,1|0,0,2]=4 1503 B10R1.18 CC(=O)CC1CCCOC1 MCULE-4781249046 [1,0,0,0,0,1|1,0,1]=4 1504 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3381787603 [1,0,0,0,0,1|1,0,1]=4 1505 B10R1.18 CC(=O)CC1CCNCC1 MCULE-3485224360 [1,0,0,0,0,1|1,0,1]=4 1506 B10R1.18 CC(=O)CC1CCOCC1 MCULE-6845890561 [1,0,0,0,0,1|1,0,1]=4 1507 B10R1.18 CC(=O)NC1CCCCC1 MCULE-8353778142 [1,0,0,0,0,1|0,0,2]=4 1508 B10R1.18 CC(=O)NC1CCCNC1 MCULE-2923451430 [1,0,0,0,0,1|1,0,1]=4 1509 B10R1.18 CC(=O)NC1CCCNC1 MCULE-7850537912 [1,0,0,0,0,1|1,0,1]=4 1510 B10R1.18 CC(=O)NC1CCNCC1 MCULE-7572445106 [1,0,0,0,0,1|1,0,1]=4 1511 B10R1.18 CC(=O)NC1CCNCC1 MCULE-8162462660 [1,0,0,0,0,1|1,0,1]=4 1512 B10R1.18 CC(=O)NC1CCOCC1 MCULE-8194699174 [1,0,0,0,0,1|1,0,1]=4 1513 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-3102769783 [1,0,0,0,0,1|1,0,1]=4 1514 B10R1.18 CC(=O)N[C@@H]1CCCNC1 MCULE-4313494103 [1,0,0,0,0,1|1,0,1]=4 1515 B10R1.18 CC(=O)N[C@H]1CC=CCC1 MCULE-6218263527 [1,0,0,0,0,1|0,0,0]=2 1516 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-1582624021 [1,0,0,0,0,1|1,0,1]=4 1517 B10R1.18 CC(=O)N[C@H]1CCCNC1 MCULE-7588247669 [1,0,0,0,0,1|1,0,1]=4 1518 B10R1.18 CC(=O)OC1C=CCCC1 MCULE-7559627891 [1,0,0,0,0,1|0,0,2]=4 1519 B10R1.18 CC(=O)OC1CCCCC1 MCULE-8221153491 [1,0,0,0,0,1|0,0,2]=4 1520 B10R1.18 CC(=O)OC1CCCNC1 MCULE-1733458491 [1,0,0,0,0,1|1,0,1]=4 1521 B10R1.18 CC(=O)OC1CCCNC1 MCULE-4433179343 [1,0,0,0,0,1|1,0,1]=4 1522 B10R1.18 CC(=O)OC1CCNCC1 MCULE-3223270695 [1,0,0,0,0,1|1,0,1]=4 1523 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4522205472 [1,0,0,0,0,1|1,0,1]=4 1524 B10R1.18 CC(=O)OC1CCNCC1 MCULE-4714651381 [1,0,0,0,0,1|1,0,1]=4 1525 B10R1.18 O=C(O)CC1CC=CCC1 MCULE-3427584067 [1,0,0,0,0,1|1,0,0]=3 1526 B10R1.18 O=C(O)C[C@@H]1CC=CCC1 MCULE-6316447839 [1,0,0,0,0,1|1,0,0]=3 1527 B12R1.21 CC(=O)NCC1CCC(=O)CC1 MCULE-9044781376 [0,0,0,0,0,2|1,0,1]=4 1528 B7R0.1 C/C=C/CCCCC MCULE-6911363331 [2,0,1,0,0,0|0,0,1]=4 1529 B7R0.1 C/C=C\CCCCC MCULE-9470036254 [2,0,1,0,0,0|0,0,1]=4 1530 B7R0.1 CC/C=C/CCCC MCULE-7439146649 [2,0,1,0,0,0|0,0,1]=4 1531 B7R0.1 CC/C=C\CCC=O MCULE-5862165111 [2,0,1,0,0,0|0,0,0]=3 1532 B7R0.1 CC=CCCCCC MCULE-7111489659 [2,0,1,0,0,0|0,0,1]=4 1533 B7R0.1 CCC=CCCC=O MCULE-1386777548 [2,0,1,0,0,0|0,0,0]=3 1534 B7R0.1 CCC=CCCCC MCULE-9716720293 [2,0,1,0,0,0|0,0,1]=4 1535 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [2,0,1,0,0,0|0,0,0]=3 1536 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [2,0,1,0,0,0|0,0,0]=3 1537 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [2,0,1,0,0,0|0,0,1]=4 1538 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [2,0,1,0,0,0|1,0,0]=4 1539 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [2,0,1,0,0,0|1,0,0]=4 1540 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [2,0,1,0,0,0|0,0,1]=4 1541 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [2,0,1,0,0,0|0,0,1]=4 1542 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [2,0,1,0,0,0|1,0,0]=4 1543 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [2,0,1,0,0,0|1,0,0]=4 1544 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [2,0,1,0,0,0|1,0,0]=4 1545 B7R0.4 CC(=CCCC=O)C MCULE-3815388926 [2,0,1,0,0,0|0,0,0]=3 1546 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [2,0,1,0,0,0|1,0,0]=4 1547 B7R0.4 CC(C)CCCC=O MCULE-2846844109 [2,0,1,0,0,0|0,0,1]=4 1548 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [2,0,1,0,0,0|1,0,0]=4 1549 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [2,0,1,0,0,0|1,0,0]=4 1550 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [2,0,1,0,0,0|0,0,1]=4 1551 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [2,0,1,0,0,0|1,0,0]=4 1552 B7R0.4 CN(C)CCCC=O MCULE-1296611805 [2,0,1,0,0,0|1,0,0]=4 1553 B7R0.4 COCCCC(=O)C MCULE-3606369396 [2,0,1,0,0,0|1,0,0]=4 1554 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [2,0,1,0,0,0|0,0,0]=3 1555 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [2,0,1,0,0,0|1,0,0]=4 1556 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [2,0,1,0,0,0|1,0,0]=4 1557 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [2,0,1,0,0,0|1,0,0]=4 1558 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [2,0,1,0,0,0|1,0,0]=4 1559 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [2,0,1,0,0,0|1,0,0]=4 1560 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [2,0,1,0,0,0|1,0,0]=4 1561 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [2,0,1,0,0,0|0,0,0]=3 1562 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [2,0,1,0,0,0|1,0,0]=4 1563 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [2,0,1,0,0,0|1,0,0]=4 1564 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [2,0,1,0,0,0|1,0,0]=4 1565 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [2,0,1,0,0,0|1,0,0]=4 1566 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [2,0,1,0,0,0|0,0,1]=4 1567 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [2,0,1,0,0,0|0,0,1]=4 1568 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [2,0,1,0,0,0|1,0,0]=4 1569 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [2,0,1,0,0,0|0,0,0]=3 1570 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [2,0,1,0,0,0|1,0,0]=4 1571 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [2,0,1,0,0,0|0,0,1]=4 1572 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [2,0,1,0,0,0|0,0,0]=3 1573 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [2,0,1,0,0,0|1,0,0]=4 1574 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [2,0,1,0,0,0|1,0,0]=4 1575 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [2,0,1,0,0,0|0,0,0]=3 1576 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [2,0,1,0,0,0|1,0,0]=4 1577 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [2,0,1,0,0,0|1,0,0]=4 1578 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [2,0,1,0,0,0|1,0,0]=4 1579 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [2,0,1,0,0,0|1,0,0]=4 1580 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [3,0,0,0,0,0|1,0,0]=4 1581 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [3,0,0,0,0,0|0,0,0]=3 1582 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [3,0,0,0,0,0|1,0,0]=4 1583 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [3,0,0,0,0,0|1,0,0]=4 1584 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [3,0,0,0,0,0|1,0,0]=4 1585 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [3,0,0,0,0,0|1,0,0]=4 1586 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [3,0,0,0,0,0|0,0,0]=3 1587 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [3,0,0,0,0,0|1,0,0]=4 1588 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [3,0,0,0,0,0|1,0,0]=4 1589 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [3,0,0,0,0,0|1,0,0]=4 1590 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [3,0,0,0,0,0|1,0,0]=4 1591 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [3,0,0,0,0,0|1,0,0]=4 1592 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [3,0,0,0,0,0|1,0,0]=4 1593 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [3,0,0,0,0,0|1,0,0]=4 1594 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [3,0,0,0,0,0|1,0,0]=4 1595 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [3,0,0,0,0,0|1,0,0]=4 1596 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [3,0,0,0,0,0|0,0,1]=4 1597 B9R0.46 C=CCCCC=C(C)CC MCULE-4872661749 [1,1,1,0,0,0|0,0,1]=4 1598 B9R0.2 C(=C/COC(=O)C)\CCC MCULE-6477561163 [1,1,1,0,0,0|1,0,0]=4 1599 B9R0.2 CC/C=C/CCOC(=O)C MCULE-5255060122 [1,1,1,0,0,0|0,0,0]=3 1600 B9R0.2 CC/C=C\CCOC(=O)C MCULE-6583289353 [1,1,1,0,0,0|0,0,0]=3 1601 B9R0.2 CCC=CCCOC(=O)C MCULE-9625548755 [1,1,1,0,0,0|0,0,0]=3 1602 B9R0.2 CCCC=CCCC(=O)O MCULE-8091554117 [1,1,1,0,0,0|1,0,0]=4 1603 B9R0.2 CCCC=CCOC(=O)C MCULE-1950142599 [1,1,1,0,0,0|1,0,0]=4 1604 B9R0.48 CCCC(=O)CCC(=O)C MCULE-2562578971 [1,1,1,0,0,0|0,0,1]=4 1605 B9R0.48 CCOC(=O)CCC(=O)C MCULE-1970388037 [1,1,1,0,0,0|1,0,0]=4 1606 B9R0.55 CC(=CCCCC(=O)O)C MCULE-3753028092 [1,1,1,0,0,0|1,0,0]=4 1607 B9R0.55 CC(=O)CCCCC(=O)C MCULE-9230576763 [1,1,1,0,0,0|0,0,1]=4 1608 B9R0.55 CC(=O)CCCOC(=O)C MCULE-1256846745 [1,1,1,0,0,0|1,0,0]=4 1609 B9R0.55 CC(C)C=CCCC(=O)O MCULE-4916288990 [1,1,1,0,0,0|1,0,0]=4 1610 B9R0.53 C=C(C)CC(C)OC(=O)C MCULE-1562545021 [1,1,1,0,0,0|1,0,0]=4 1611 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [1,1,1,0,0,0|0,0,1]=4 1612 B9R0.51 C=CCCC(C)(C)C(=O)O MCULE-1492058519 [1,1,1,0,0,0|1,0,0]=4 1613 B9R0.51 C=CCC[C@@](C)(N)C(=O)O MCULE-8852684173 [1,1,1,0,0,0|1,0,0]=4 1614 B9R0.51 C=CCC[C@](C)(N)C(=O)O MCULE-1635647275 [1,1,1,0,0,0|1,0,0]=4 1615 B9R0.51 CCCCC(C)(C)C(=O)C MCULE-3392309275 [1,1,1,0,0,0|0,0,1]=4 1616 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [1,1,1,0,0,0|0,0,1]=4 1617 B9R0.12 C=CCC(NC)C(=O)OC MCULE-2627043783 [1,1,1,0,0,0|1,0,0]=4 1618 B9R0.12 C=CCC(NC)C(=O)OC MCULE-9141678175 [1,1,1,0,0,0|1,0,0]=4 1619 B9R0.15 C=CCC(CCC)C(=O)O MCULE-5379398676 [1,1,1,0,0,0|1,0,0]=4 1620 B9R0.15 CCCC(CCC)C(=O)C MCULE-3853377484 [1,1,1,0,0,0|0,0,1]=4 1621 B9R0.29 CCC(C(=O)C)C(=O)OC MCULE-2050786752 [1,1,1,0,0,0|1,0,0]=4 1622 B9R0.33 C=CCC(C(=O)N)C(C)C MCULE-4190504102 [1,1,1,0,0,0|1,0,0]=4 1623 B9R0.33 C=CCC(C(=O)O)C(C)C MCULE-6557819980 [1,1,1,0,0,0|1,0,0]=4 1624 B9R0.33 C=CCN(C(=O)C)C(C)C MCULE-7380400135 [1,1,1,0,0,0|1,0,0]=4 1625 B9R0.74 CCCC(C)(CC)C(=O)C MCULE-3275508969 [1,1,1,0,0,0|0,0,1]=4 1626 B9R0.11 C=C(C)CC(C)(C)C(=O)O MCULE-2137357994 [0,1,1,0,1,0|1,0,0]=4 1627 B9R0.11 CC(=O)C(C)(O)CC(C)C MCULE-5996885507 [0,1,1,0,1,0|0,0,1]=4 1628 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,1,1,0,1,0|1,0,0]=4 1629 B9R1.2 C=C1CC(CCO1)C=O MCULE-3057874524 [2,1,0,0,0,0|1,0,0]=4 1630 B9R1.8 CNCC1CC=CCC1 MCULE-2907665344 [2,1,0,0,0,0|0,0,1]=4 1631 B9R1.8 NCCC1CC=CCC1 MCULE-1434073484 [2,1,0,0,0,0|0,0,1]=4 1632 B9R1.8 NCCC1CC=CCC1 MCULE-8751373054 [2,1,0,0,0,0|0,0,1]=4 1633 B9R1.8 O=C=NC1CC=CCC1 MCULE-2372103248 [2,1,0,0,0,0|0,0,1]=4 1634 B9R1.15 CC1CC=CCC1C=O MCULE-7543573924 [2,1,0,0,0,0|0,0,0]=3 1635 B9R1.10 CC1(CC=C(CC1)Br)C MCULE-3834862289 [2,1,0,0,0,0|1,0,0]=4 1636 B9R1.10 CC1=CCC(CC1)(C)N MCULE-5027299304 [2,1,0,0,0,0|0,0,0]=3 1637 B9R1.10 CC1=CCC(CC1)(C)N MCULE-6100124607 [2,1,0,0,0,0|0,0,0]=3 1638 B9R1.69 CC1CCC(C(=O)C1)C MCULE-1189470004 [2,1,0,0,0,0|0,0,1]=4 1639 B9R1.23 CN1CC(CC1=O)C=O MCULE-7956490044 [1,1,0,0,1,0|1,0,0]=4 1640 B9R1.11 C1(CCNC1)C(=O)OC MCULE-6356797990 [1,1,0,0,1,0|1,0,0]=4 1641 B9R1.11 C1(CCNC1)C(=O)OC MCULE-7101201723 [1,1,0,0,1,0|1,0,0]=4 1642 B9R1.11 C1(CCNC1)C(=O)OC MCULE-8951983412 [1,1,0,0,1,0|1,0,0]=4 1643 B9R1.11 C1(CCOC1)C(=O)OC MCULE-6831054690 [1,1,0,0,1,0|1,0,0]=4 1644 B9R1.11 CCC(=O)C1CCCC1 MCULE-4431631098 [1,1,0,0,1,0|0,0,1]=4 1645 B9R1.11 CCC(=O)C1CCOC1 MCULE-1322014645 [1,1,0,0,1,0|1,0,0]=4 1646 B9R1.11 CNC(=O)C1CCCC1 MCULE-1170525718 [1,1,0,0,1,0|0,0,1]=4 1647 B9R1.11 CNC(=O)C1CCNC1 MCULE-2945338804 [1,1,0,0,1,0|1,0,0]=4 1648 B9R1.11 CNC(=O)C1CCNC1 MCULE-8215086073 [1,1,0,0,1,0|1,0,0]=4 1649 B9R1.11 COC(=O)C1C=CCN1 MCULE-5230080312 [1,1,0,0,1,0|1,0,0]=4 1650 B9R1.11 COC(=O)C1C=CCN1 MCULE-8144796741 [1,1,0,0,1,0|1,0,0]=4 1651 B9R1.11 COC(=O)C1CC=CC1 MCULE-9983636796 [1,1,0,0,1,0|0,0,0]=3 1652 B9R1.11 COC(=O)C1CCCC1 MCULE-6212031690 [1,1,0,0,1,0|0,0,1]=4 1653 B9R1.11 COC(=O)C1CCNC1 MCULE-1630900792 [1,1,0,0,1,0|1,0,0]=4 1654 B9R1.11 COC(=O)C1CCNC1 MCULE-5845908055 [1,1,0,0,1,0|1,0,0]=4 1655 B9R1.11 COC(=O)C1CCNC1 MCULE-8849407954 [1,1,0,0,1,0|1,0,0]=4 1656 B9R1.11 COC(=O)C1CCOC1 MCULE-8088199992 [1,1,0,0,1,0|1,0,0]=4 1657 B9R1.11 COC(=O)N1CC=CC1 MCULE-5041115956 [1,1,0,0,1,0|1,0,0]=4 1658 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-1869723316 [1,1,0,0,1,0|1,0,0]=4 1659 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5370163237 [1,1,0,0,1,0|1,0,0]=4 1660 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-5818736163 [1,1,0,0,1,0|1,0,0]=4 1661 B9R1.11 COC(=O)[C@@H]1C=CCN1 MCULE-7249261083 [1,1,0,0,1,0|1,0,0]=4 1662 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-3233941315 [1,1,0,0,1,0|1,0,0]=4 1663 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-4138957644 [1,1,0,0,1,0|1,0,0]=4 1664 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-5401828810 [1,1,0,0,1,0|1,0,0]=4 1665 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-6948701888 [1,1,0,0,1,0|1,0,0]=4 1666 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-7639173642 [1,1,0,0,1,0|1,0,0]=4 1667 B9R1.11 COC(=O)[C@@H]1CCNC1 MCULE-9871868573 [1,1,0,0,1,0|1,0,0]=4 1668 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-2786445237 [1,1,0,0,1,0|1,0,0]=4 1669 B9R1.11 COC(=O)[C@@H]1CCOC1 MCULE-6419806426 [1,1,0,0,1,0|1,0,0]=4 1670 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-3002947292 [1,1,0,0,1,0|1,0,0]=4 1671 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-4023088392 [1,1,0,0,1,0|1,0,0]=4 1672 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-5206857621 [1,1,0,0,1,0|1,0,0]=4 1673 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7688050113 [1,1,0,0,1,0|1,0,0]=4 1674 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-7976156203 [1,1,0,0,1,0|1,0,0]=4 1675 B9R1.11 COC(=O)[C@H]1CCNC1 MCULE-9431553560 [1,1,0,0,1,0|1,0,0]=4 1676 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-4215481469 [1,1,0,0,1,0|1,0,0]=4 1677 B9R1.11 COC(=O)[C@H]1CCOC1 MCULE-9152113033 [1,1,0,0,1,0|1,0,0]=4 1678 B9R1.11 NCC(=O)C1CCCC1 MCULE-2498486150 [1,1,0,0,1,0|0,0,1]=4 1679 B9R1.11 NCC(=O)C1CCCC1 MCULE-5406973286 [1,1,0,0,1,0|0,0,1]=4 1680 B9R1.11 O=C(CBr)C1CCCC1 MCULE-4985111490 [1,1,0,0,1,0|0,0,1]=4 1681 B9R1.11 O=C(CBr)C1CCOC1 MCULE-6832037750 [1,1,0,0,1,0|1,0,0]=4 1682 B9R1.11 O=C(CCl)C1CCCC1 MCULE-7395779538 [1,1,0,0,1,0|0,0,1]=4 1683 B9R1.41 CC(=O)C1CCCC1=O MCULE-8152440536 [1,1,0,0,1,0|0,0,1]=4 1684 B9R1.41 CC(=O)C1CCOC1=O MCULE-4236075888 [1,1,0,0,1,0|1,0,0]=4 1685 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [1,1,0,0,1,0|1,0,0]=4 1686 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [1,1,0,0,1,0|1,0,0]=4 1687 B9R1.163 CC(=O)C1(CCCC1)C MCULE-7946764519 [1,1,0,0,1,0|0,0,1]=4 1688 B9R1.163 CC(=O)C1(CCCC1)N MCULE-1766488888 [1,1,0,0,1,0|0,0,1]=4 1689 B9R1.163 CC(=O)C1(CCCC1)N MCULE-2390313394 [1,1,0,0,1,0|0,0,1]=4 1690 B9R1.163 CC(=O)C1(CCCC1)O MCULE-4607553416 [1,1,0,0,1,0|0,0,1]=4 1691 B9R1.163 CC1(C=CCC1)C(=O)O MCULE-5900825388 [1,1,0,0,1,0|1,0,0]=4 1692 B9R1.163 CC1(CC=CC1)C(=O)O MCULE-6612456038 [1,1,0,0,1,0|1,0,0]=4 1693 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-1445980877 [1,1,0,0,1,0|1,0,0]=4 1694 B9R1.163 NC1(CC=CC1)C(=O)O MCULE-5381827504 [1,1,0,0,1,0|1,0,0]=4 1695 B9R1.82 C=C1CC(C1)C(=O)OC MCULE-8011797750 [0,1,0,0,2,0|0,0,1]=4 1696 B9R1.82 COC(=O)C1CC(=O)C1 MCULE-8671943269 [0,1,0,0,2,0|1,0,0]=4 1697 B9R1.82 COC(=O)C1CC(C1)C MCULE-6294133796 [0,1,0,0,2,0|0,0,1]=4 1698 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,1,0,0,2,0|0,0,1]=4 1699 B11R0.174 CCOC(=O)CCC=C(C)CC MCULE-6307043891 [0,2,1,0,0,0|0,0,0]=3 1700 B11R0.28 CC(=O)CCC(C(=O)C)C(=O)C MCULE-3780673236 [0,2,1,0,0,0|1,0,0]=4 1701 B11R0.167 COC(=O)[C@@H](C/C=C/Cl)C(C)C MCULE-9191721985 [0,2,1,0,0,0|1,0,0]=4 1702 B11R0.167 COC(=O)[C@@H](CC=CCl)C(C)C MCULE-1131649509 [0,2,1,0,0,0|1,0,0]=4 1703 B11R1.36 NC(C(=O)O)C1CC=CCC1 MCULE-8998480466 [1,1,0,0,0,1|1,0,0]=4 1704 B11R1.36 O=C(O)C(=O)[C@H]1CC=CCC1 MCULE-2654807200 [1,1,0,0,0,1|1,0,0]=4 1705 B11R1.277 CC1=C(CC(C(C1)C)C=O)C MCULE-3487233745 [1,2,0,0,0,0|0,0,0]=3 1706 B11R1.277 CC1=C(C[C@H]([C@H](C1)C)C=O)C MCULE-7528842962 [1,2,0,0,0,0|0,0,0]=3 1707 B11R1.464 CC1=CC(C(C(C1)C)C=O)C MCULE-3433336466 [1,2,0,0,0,0|0,0,0]=3 1708 B11R1.464 CC1=CC([C@@H](C(C1)C)C=O)C MCULE-9761993676 [1,2,0,0,0,0|0,0,0]=3 1709 B11R1.1073 CC1=C(CC(CC1)(C)C=O)C MCULE-7688284225 [1,2,0,0,0,0|0,0,0]=3 1710 B11R1.16 CCOC(=O)C1CC=CCC1 MCULE-1210480263 [1,2,0,0,0,0|0,0,0]=3 1711 B11R1.16 CCOC(=O)C1CC=COC1 MCULE-4455248387 [1,2,0,0,0,0|1,0,0]=4 1712 B11R1.16 CCOC(=O)C1CCC=CO1 MCULE-7499289285 [1,2,0,0,0,0|1,0,0]=4 1713 B11R1.16 CCOC(=O)[C@@H]1CCC=CO1 MCULE-9101599393 [1,2,0,0,0,0|1,0,0]=4 1714 B11R1.23 COC(=O)C1CC=CC(=O)C1 MCULE-9419627516 [1,2,0,0,0,0|0,0,1]=4 1715 B11R1.23 COC(=O)C1CC=CC(C1)O MCULE-2728065324 [1,2,0,0,0,0|0,0,0]=3 1716 B11R1.23 COC(=O)C1CCCC(=O)C1 MCULE-4326233018 [1,2,0,0,0,0|0,0,1]=4 1717 B11R1.23 COC(=O)C1CCNC(=O)C1 MCULE-4250140902 [1,2,0,0,0,0|1,0,0]=4 1718 B11R1.23 COC(=O)[C@@H]1CCCC(=O)C1 MCULE-6640888029 [1,2,0,0,0,0|0,0,1]=4 1719 B11R1.23 COC(=O)[C@H]1CC=C[C@H](C1)O MCULE-9306178186 [1,2,0,0,0,0|0,0,0]=3 1720 B11R1.23 COC(=O)[C@H]1CCCC(=O)C1 MCULE-1252511775 [1,2,0,0,0,0|0,0,1]=4 1721 B11R1.23 COC(=O)[C@H]1CCNC(=O)C1 MCULE-9706628315 [1,2,0,0,0,0|1,0,0]=4 1722 B11R1.23 NNC(=O)[C@@H]1CC=C[C@@H](C1)O MCULE-2326390899 [1,2,0,0,0,0|1,0,0]=4 1723 B11R1.222 COC(=O)C1CC=CCC1N MCULE-2910715817 [1,2,0,0,0,0|0,0,0]=3 1724 B11R1.222 COC(=O)C1CC=CCC1N MCULE-8325331359 [1,2,0,0,0,0|0,0,0]=3 1725 B11R1.878 COC(=O)C1(CCC=CO1)C MCULE-6461005192 [1,2,0,0,0,0|1,0,0]=4 1726 B11R1.15 CCOC(=O)C1CCC(=O)C1 MCULE-8247112057 [0,2,0,0,1,0|1,0,0]=4 1727 B11R1.15 CCOC(=O)C1CCN(C1)C MCULE-4114549249 [0,2,0,0,1,0|1,0,0]=4 1728 B11R1.15 CCOC(=O)[C@H]1CCC(=O)C1 MCULE-1918312467 [0,2,0,0,1,0|1,0,0]=4 1729 B11R1.44 COC(=O)C1CCC(=N1)SC MCULE-4359957532 [0,2,0,0,1,0|1,0,0]=4 1730 B11R1.44 COC(=O)C1CCC(C1)CBr MCULE-4959141432 [0,2,0,0,1,0|0,0,1]=4 1731 B11R1.44 COC(=O)C1CCC(C1)CN MCULE-2495305998 [0,2,0,0,1,0|0,0,1]=4 1732 B11R1.44 COC(=O)C1CCC(C1)CN MCULE-5766901556 [0,2,0,0,1,0|0,0,1]=4 1733 B11R1.44 COC(=O)C1CCC(C1)CO MCULE-8674331081 [0,2,0,0,1,0|0,0,1]=4 1734 B11R1.44 COC(=O)[C@@H]1CCC(=N1)OC MCULE-7640000853 [0,2,0,0,1,0|1,0,0]=4 1735 B11R1.44 COC(=O)[C@@H]1CCC(=N1)SC MCULE-1188331274 [0,2,0,0,1,0|1,0,0]=4 1736 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)CO MCULE-6652319072 [0,2,0,0,1,0|0,0,1]=4 1737 B11R1.44 COC(=O)[C@@H]1CC[C@@H](C1)CO MCULE-7077024997 [0,2,0,0,1,0|0,0,1]=4 1738 B11R1.44 COC(=O)[C@H]1CCC(=N1)SC MCULE-5637440852 [0,2,0,0,1,0|1,0,0]=4 1739 B11R1.44 [C@H]1(CCC(=N1)SC)C(=O)OC MCULE-8578753187 [0,2,0,0,1,0|1,0,0]=4 1740 B11R1.226 CNC(=O)C1CC(=O)N(C1)C MCULE-3474251613 [0,2,0,0,1,0|1,0,0]=4 1741 B11R1.226 COC(=O)C1CC(=O)N(C1)C MCULE-2051541150 [0,2,0,0,1,0|1,0,0]=4 1742 B11R1.226 COC(=O)C1CC(=S)N(C1)C MCULE-5362856107 [0,2,0,0,1,0|1,0,0]=4 1743 B11R1.865 COC(=O)C1CCC(C1=O)C MCULE-2536890360 [0,2,0,0,1,0|0,0,1]=4 1744 B11R1.865 COC(=O)C1CCN(C1=O)C MCULE-2384096841 [0,2,0,0,1,0|1,0,0]=4 1745 B11R1.885 COC(=O)C1(CCC(=O)C1)C MCULE-9354640301 [0,2,0,0,1,0|1,0,0]=4 1746 B11R1.885 COC(=O)C1(CCN(C1)C)C MCULE-2320118491 [0,2,0,0,1,0|1,0,0]=4 1747 B13R1.14 CC1=CCC(CC1)COC(=O)CCl MCULE-2633316845 [0,1,0,0,0,2|0,0,0]=3 1748 B13R1.164 CC(=O)C=CC1CC=C(CC1C)C MCULE-6769530046 [0,1,0,0,0,2|0,0,0]=3 1749 B13R1.142 CCOC1=CCC(CC1)NC(=O)C MCULE-3016510443 [0,2,0,0,0,1|0,0,0]=3 1750 B13R1.2171 COC(=O)C1CCN=C(CC1)OC MCULE-4443688716 [0,2,0,0,0,1|0,0,1]=4 1751 B13R1.537 C=C(C)C1CC=C(CC1)C(=O)OC MCULE-5972648706 [0,3,0,0,0,0|1,0,0]=4 1752 B13R1.49 COC(=O)C1CCC(=O)C(=CO)C1 MCULE-8273081682 [0,3,0,0,0,0|1,0,0]=4 1753 B13R1.165 CC1=CCC(C(C1)C(=O)O)C(=O)O MCULE-2253127357 [0,3,0,0,0,0|1,0,0]=4 1754 B13R1.2814 CC(=O)C1C(=O)C=C(CC1(C)C)C MCULE-7241385729 [0,3,0,0,0,0|0,0,1]=4 1755 B9R1.3 CC1=C(C(=O)CCC1)C MCULE-2092030294 [1,0,1,1,0,0|0,0,0]=3 1756 B9R1.3 CC1=C(C(=O)CCC1)I MCULE-1524025435 [1,0,1,1,0,0|1,0,0]=4 1757 B9R1.3 CC1=C(CCCC1=O)O MCULE-2811033912 [1,0,1,1,0,0|1,0,0]=4 1758 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [1,0,1,1,0,0|0,0,0]=3 1759 B9R1.13 CC(=O)OC1C=CCC1 MCULE-5058666304 [1,0,1,1,0,0|1,0,0]=4 1760 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [1,0,1,1,0,0|1,0,0]=4 1761 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [1,0,1,1,0,0|1,0,0]=4 1762 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [1,0,1,1,0,0|0,0,1]=4 1763 B9R1.33 C=CCC1CCCC1=O MCULE-9567921811 [1,0,1,1,0,0|0,0,0]=3 1764 B9R1.33 C=CCN1CCCC1=O MCULE-5813823289 [1,0,1,1,0,0|1,0,0]=4 1765 B9R1.33 CCCC1CCCC1=O MCULE-6186440440 [1,0,1,1,0,0|0,0,1]=4 1766 B9R1.33 COCC1CCCC1=O MCULE-9169493233 [1,0,1,1,0,0|1,0,0]=4 1767 B9R1.119 CCC1(COC1)C(=O)C MCULE-8523538443 [1,0,1,1,0,0|1,0,0]=4 1768 B9R1.179 C=CCC1(CC1)C(=O)C MCULE-6528004150 [1,0,1,1,0,0|0,0,0]=3 1769 B9R1.179 C=CCC1(CC1)C(=O)O MCULE-9984484632 [1,0,1,1,0,0|1,0,0]=4 1770 B9R1.36 CC1CC(CC1=O)(C)C MCULE-2251251242 [0,0,1,1,1,0|0,0,1]=4 1771 B9R2.68 C1=CC2CCC(C1)C2 MCULE-8992637581 [2,0,0,1,0,0|0,0,1]=4 1772 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-3286132303 [2,0,0,1,0,0|0,0,1]=4 1773 B9R2.68 [C@@H]12C=CC[C@@H](C1)CC2 MCULE-8863392768 [2,0,0,1,0,0|0,0,1]=4 1774 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [1,0,0,1,1,0|0,0,1]=4 1775 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [1,0,0,1,1,0|1,0,0]=4 1776 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [1,0,0,1,1,0|1,0,0]=4 1777 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [1,0,0,1,1,0|0,0,1]=4 1778 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [1,0,0,1,1,0|0,0,1]=4 1779 B9R2.39 [C@@H]12C=C([C@@H](C1)CC2)C MCULE-9983936985 [1,0,0,1,1,0|0,0,1]=4 1780 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [1,0,0,1,1,0|1,0,0]=4 1781 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [1,0,0,1,1,0|0,0,1]=4 1782 B9R2.7 O=C1CC2C1C=CC2 MCULE-3852880142 [1,0,0,1,1,0|0,0,0]=3 1783 B9R2.7 O=C1CC2C1CC=C2 MCULE-8739489327 [1,0,0,1,1,0|0,0,0]=3 1784 B9R2.7 O=C1CC2C1CNC2 MCULE-7088124346 [1,0,0,1,1,0|1,0,0]=4 1785 B9R2.7 O=C1CC2C1CNC2 MCULE-9132894100 [1,0,0,1,1,0|1,0,0]=4 1786 B9R2.7 [C@H]12C=CC[C@H]1C(=O)C2 MCULE-3330844006 [1,0,0,1,1,0|0,0,0]=3 1787 B9R2.7 [C@H]12CC=C[C@H]1CC2=O MCULE-9153185805 [1,0,0,1,1,0|0,0,0]=3 1788 B9R2.145 CC(=O)C12CC(C1)C2 MCULE-4306075078 [0,0,0,1,2,0|0,0,1]=4 1789 B11R1.228 COC(=O)CC1CCCC1=O MCULE-1943898216 [0,1,1,1,0,0|1,0,0]=4 1790 B11R1.497 CC(=O)C1CCCCC(=O)C1 MCULE-8090726810 [0,1,1,1,0,0|0,0,1]=4 1791 B11R1.706 O=C(O)C1CCC=CCCC1 MCULE-1202438669 [0,1,1,1,0,0|1,0,0]=4 1792 B11R1.1239 COCC1(CC=CC1)C(=O)O MCULE-3700578028 [0,1,1,1,0,0|1,0,0]=4 1793 B11R2.47 O=C1CC2CCC1CC2=O MCULE-3954884710 [1,1,0,1,0,0|0,0,1]=4 1794 B13R2.5190 CC1=CC2OC(=O)C(C2CC1)C MCULE-1793539808 [0,1,0,1,0,1|1,0,0]=4 1795 B13R2.5190 CC1=C[C@@H]2OC(=O)[C@H]([C@@H]2CC1)C MCULE-7375603803 [0,1,0,1,0,1|1,0,0]=4 1796 B13R2.5187 CC1=CC2C(=O)OC(=O)C2CC1 MCULE-8481055070 [0,2,0,1,0,0|0,0,1]=4 1797 B13R2.5187 CC1=CCC2C(=O)NC(=O)C2C1 MCULE-9303540719 [0,2,0,1,0,0|0,0,1]=4 1798 B13R2.5187 CC1=CCC2C(=O)OC(=O)C2C1 MCULE-7609787636 [0,2,0,1,0,0|0,0,1]=4 1799 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [1,0,1,0,1,0|0,0,1]=4 1800 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [1,0,1,0,1,0|0,0,1]=4 1801 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,0,1,0,2,0|0,0,0]=3 1802 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,0,1,0,2,0|1,0,0]=4 1803 B7R1.1 COC1CC=CC1 MCULE-3537302351 [2,0,0,0,1,0|1,0,0]=4 1804 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [2,0,0,0,1,0|0,0,0]=3 1805 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [2,0,0,0,1,0|0,0,1]=4 1806 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [2,0,0,0,1,0|1,0,0]=4 1807 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [2,0,0,0,1,0|1,0,0]=4 1808 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [2,0,0,0,1,0|1,0,0]=4 1809 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [2,0,0,0,1,0|1,0,0]=4 1810 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [2,0,0,0,1,0|1,0,0]=4 1811 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [2,0,0,0,1,0|0,0,1]=4 1812 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [2,0,0,0,1,0|1,0,0]=4 1813 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [2,0,0,0,1,0|1,0,0]=4 1814 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [2,0,0,0,1,0|1,0,0]=4 1815 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [2,0,0,0,1,0|0,0,1]=4 1816 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [2,0,0,0,1,0|1,0,0]=4 1817 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,0,2,0|0,0,1]=4 1818 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [1,0,0,0,2,0|0,0,1]=4 1819 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,0,2,0|0,0,0]=3 1820 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,0,2,0|1,0,0]=4 1821 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,0,2,0|1,0,0]=4 1822 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,0,2,0|1,0,0]=4 1823 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,0,2,0|1,0,0]=4 1824 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [1,0,0,0,2,0|1,0,0]=4 1825 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,0,2,0|1,0,0]=4 1826 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,0,2,0|1,0,0]=4 1827 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,0,2,0|1,0,0]=4 1828 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,0,2,0|1,0,0]=4 1829 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,0,3,0|0,0,1]=4 1830 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,0,3,0|0,0,1]=4 1831 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,0,3,0|1,0,0]=4 1832 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [1,0,1,0,0,1|0,0,1]=4 1833 B11R1.91 O=C(O)C=CC1CC=CCC1 MCULE-4029530091 [1,0,0,0,0,2|1,0,0]=4 1834 B13R1.513 CC1=CCC(CC1)C=NNC(=O)N MCULE-2373627480 [0,0,0,0,0,3|1,0,0]=4